0 B15R1.157 C#CCNC(C)CCCc1ccccc1 34a_100000212058_200010759516 [0,0,0,0,0,0|2,0,2]=4 1 B15R1.157 C#CCOC(C)CCCc1ccccc1 34a_100000210247_200010759516 [0,0,0,0,0,0|1,0,2]=3 2 B15R1.157 C#CCOC(C)COCc1ccccc1 34a_100000764311_100000184674 [0,0,0,0,0,0|2,0,2]=4 3 B15R1.157 C#CCOC(C)COCc1ccccc1 34a_200000093152_100015291786 [0,0,0,0,0,0|2,0,2]=4 4 B15R1.157 C#CCOC(C)COCc1ccccc1 7a_100000764311_100000038162 [0,0,0,0,0,0|2,0,2]=4 5 B15R1.157 C#CCOC(C)COCc1ccccc1 7a_200000093152_100000211182 [0,0,0,0,0,0|2,0,2]=4 6 B15R1.157 C#CCSC(C)CCCc1ccccc1 62a_100000038162_200010759516 [0,0,0,0,0,0|1,1,2]=4 7 B15R1.157 C=CCCC(C)NCCc1ccccc1 270004a_100000106460_100000762624 [0,0,0,0,0,0|2,0,2]=4 8 B15R1.157 C=CCCC(C)OCCc1ccccc1 34a_100000765329_100000765856 [0,0,0,0,0,0|1,0,2]=3 9 B15R1.157 C=CCCC(C)OCCc1ccccc1 7a_100000765329_100000765856 [0,0,0,0,0,0|1,0,2]=3 10 B15R1.157 C=CCCC(C)OCCc1ccccn1 7a_100000765329_100015183660 [0,0,0,0,0,0|2,0,2]=4 11 B15R1.157 C=CCCC(C)OCCc1cccnc1 7a_100000765329_200011713674 [0,0,0,0,0,0|2,0,2]=4 12 B15R1.157 C=CCCC(C)OCCc1ccncc1 7a_100000765329_100000723409 [0,0,0,0,0,0|2,0,2]=4 13 B15R1.157 C=CCNC(C)CCCc1ccccc1 2230a_100020586998_200010759516 [0,0,0,0,0,0|2,0,2]=4 14 B15R1.157 C=CCOC(C)CCCc1ccccc1 34a_200000210373_200010759516 [0,0,0,0,0,0|1,0,2]=3 15 B15R1.157 C=CCOC(C)COCc1ccccc1 34a_100000764311_100015514636 [0,0,0,0,0,0|2,0,2]=4 16 B15R1.157 C=CCOC(C)COCc1ccccc1 7a_100000764311_100015514636 [0,0,0,0,0,0|2,0,2]=4 17 B15R1.157 C=CCSC(C)CCCc1ccccc1 62a_100000210623_200010759516 [0,0,0,0,0,0|1,1,2]=4 18 B15R1.157 C=CCSC(C)CCCc1ccccc1 62a_200010759516_100000210623 [0,0,0,0,0,0|1,1,2]=4 19 B15R1.157 CC(CCCCl)OCCc1ccccc1 34a_200000718107_100000765856 [0,0,0,0,0,0|2,0,0]=2 20 B15R1.157 CC(CCCCl)OCCc1ccccc1 7a_200000718107_100000765856 [0,0,0,0,0,0|2,0,0]=2 21 B15R1.157 CC(CCCCl)OCCc1ccccn1 7a_200000718107_100015183660 [0,0,0,0,0,0|3,0,0]=3 22 B15R1.157 CC(CCCCl)OCCc1cccnc1 7a_200000718107_200011713674 [0,0,0,0,0,0|3,0,0]=3 23 B15R1.157 CC(CCCCl)OCCc1ccncc1 7a_200000718107_100000723409 [0,0,0,0,0,0|3,0,0]=3 24 B15R1.157 CC(CCCc1ccccc1)NCCF 34a_100000724931_200010759516 [0,0,0,0,0,0|3,0,0]=3 25 B15R1.157 CC(CCCc1ccccc1)NCCO 2230a_100016997473_200010759516 [0,0,0,0,0,0|3,0,0]=3 26 B15R1.157 CC(CCCc1ccccc1)NCCO 34a_100016990907_200010759516 [0,0,0,0,0,0|3,0,0]=3 27 B15R1.157 CC(CCCc1ccccc1)OCCBr 34a_100000211926_200010759516 [0,0,0,0,0,0|2,0,0]=2 28 B15R1.157 CC(CCCc1ccccc1)OCCN 34a_100000210304_200010759516 [0,0,0,0,0,0|2,0,0]=2 29 B15R1.157 CC(CCCc1ccccc1)SCC#N 62a_100011215382_200010759516 [0,0,0,0,0,0|2,1,1]=4 30 B15R1.157 CC(CCCc1ccccc1)SCC#N 62a_200010759516_100011215382 [0,0,0,0,0,0|2,1,1]=4 31 B15R1.157 CC(CCCc1ccccc1)SCC=O 62a_200010759516_200015260668 [0,0,0,0,0,0|2,1,1]=4 32 B15R1.157 CC(CCCc1ccccc1)SCC=O 62a_200015260668_200010759516 [0,0,0,0,0,0|2,1,1]=4 33 B15R1.157 CC(CCCc1ccccc1)SCCF 62a_100011217306_200010759516 [0,0,0,0,0,0|2,1,0]=3 34 B15R1.157 CC(CCCc1ccccc1)SCCF 62a_200010759516_100011217306 [0,0,0,0,0,0|2,1,0]=3 35 B15R1.157 CC(CCCc1ccccc1)SCCO 62a_100000211926_200010759516 [0,0,0,0,0,0|2,1,0]=3 36 B15R1.157 CC(CCCc1ccccc1)SCCO 62a_200010759516_100000211926 [0,0,0,0,0,0|2,1,0]=3 37 B15R1.157 CC(COCc1ccccc1)NCCO 270004a_100000210304_100011215004 [0,0,0,0,0,0|4,0,0]=4 38 B15R1.157 CC(COCc1ccccc1)OCC#N 7a_100000764311_100011215382 [0,0,0,0,0,0|3,0,1]=4 39 B15R1.157 CC(COCc1ccccc1)OCC=O 34a_100000764311_200009817547 [0,0,0,0,0,0|3,0,1]=4 40 B15R1.157 CC(COCc1ccccc1)OCC=O 7a_100000764311_200015260668 [0,0,0,0,0,0|3,0,1]=4 41 B15R1.157 CC(COCc1ccccc1)OCCF 34a_100000764311_100011217306 [0,0,0,0,0,0|3,0,0]=3 42 B15R1.157 CC(COCc1ccccc1)OCCF 7a_100000764311_100011217306 [0,0,0,0,0,0|3,0,0]=3 43 B15R1.157 CC(COCc1ccccc1)OCCO 34a_100000764311_100000211926 [0,0,0,0,0,0|3,0,0]=3 44 B15R1.157 CC(COCc1ccccc1)OCCO 7a_100000764311_100000211926 [0,0,0,0,0,0|3,0,0]=3 45 B15R1.157 CC(CSCc1ccccc1)NCCO 270004a_100000210304_100000172147 [0,0,0,0,0,0|4,0,0]=4 46 B15R1.157 CCC#CC(C)OCCc1ccccc1 34a_100000033903_100000765856 [0,0,0,0,0,0|1,0,1]=2 47 B15R1.157 CCC#CC(C)OCCc1ccccc1 7a_100000033903_100000765856 [0,0,0,0,0,0|1,0,1]=2 48 B15R1.157 CCC#CC(C)OCCc1ccccn1 7a_100000033903_100015183660 [0,0,0,0,0,0|2,0,1]=3 49 B15R1.157 CCC#CC(C)OCCc1cccnc1 7a_100000033903_200011713674 [0,0,0,0,0,0|2,0,1]=3 50 B15R1.157 CCC#CC(C)OCCc1ccncc1 7a_100000033903_100000723409 [0,0,0,0,0,0|2,0,1]=3 51 B15R1.157 CCCCC(=NNCc1ccccc1)C 4a_100000007032_100000210087 [0,0,0,0,0,0|3,0,1]=4 52 B15R1.157 CCCCC(=O)CCCc1ccccc1 1458a_100000210183_100000211621 [0,0,0,0,0,0|3,0,1]=4 53 B15R1.157 CCCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210211 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.157 CCCCC(=O)NCCc1ccccc1 11a_100000106460_100000210183 [0,0,0,0,0,0|3,0,1]=4 55 B15R1.157 CCCCC(=O)NCCc1ccccc1 1626a_100000106460_100000210183 [0,0,0,0,0,0|3,0,1]=4 56 B15R1.157 CCCCC(=O)NCCc1ccccc1 240690a_100000106460_100000210183 [0,0,0,0,0,0|3,0,1]=4 57 B15R1.157 CCCCC(=O)NCCc1ccccc1 527a_100000106460_100000210183 [0,0,0,0,0,0|3,0,1]=4 58 B15R1.157 CCCCC(C)COCc1ccccc1 34a_100011995851_100015291786 [0,0,0,0,0,0|3,0,0]=3 59 B15R1.157 CCCCC(C)COCc1ccccc1 7a_100011995851_100000211182 [0,0,0,0,0,0|3,0,0]=3 60 B15R1.157 CCCCC(C)COCc1ccccn1 34a_100011995851_100000721315 [0,0,0,0,0,0|4,0,0]=4 61 B15R1.157 CCCCC(C)COCc1ccccn1 7a_100011995851_100000721315 [0,0,0,0,0,0|4,0,0]=4 62 B15R1.157 CCCCC(C)COCc1cccnc1 34a_100011995851_100000733263 [0,0,0,0,0,0|4,0,0]=4 63 B15R1.157 CCCCC(C)COCc1cccnc1 7a_100011995851_100000741622 [0,0,0,0,0,0|4,0,0]=4 64 B15R1.157 CCCCC(C)COCc1ccncc1 7a_100011995851_100015193705 [0,0,0,0,0,0|4,0,0]=4 65 B15R1.157 CCCCC(C)NCCc1ccccc1 2230a_100000106460_200011215066 [0,0,0,0,0,0|2,0,0]=2 66 B15R1.157 CCCCC(C)NCCc1ccccc1 2230a_100000126638_100000765856 [0,0,0,0,0,0|2,0,0]=2 67 B15R1.157 CCCCC(C)NCCc1ccccc1 270004a_100000106460_100000210087 [0,0,0,0,0,0|2,0,0]=2 68 B15R1.157 CCCCC(C)NCCc1ccccc1 34a_100000106460_200011215066 [0,0,0,0,0,0|2,0,0]=2 69 B15R1.157 CCCCC(C)NCCc1ccccn1 2230a_100000126638_100015183660 [0,0,0,0,0,0|3,0,0]=3 70 B15R1.157 CCCCC(C)NCCc1ccccn1 270004a_100000211156_100000210087 [0,0,0,0,0,0|3,0,0]=3 71 B15R1.157 CCCCC(C)NCCc1cccnc1 2230a_100000126638_200011713674 [0,0,0,0,0,0|3,0,0]=3 72 B15R1.157 CCCCC(C)NCCc1cccnc1 2230a_100000736294_200011215066 [0,0,0,0,0,0|3,0,0]=3 73 B15R1.157 CCCCC(C)NCCc1cccnc1 270004a_100000736294_100000210087 [0,0,0,0,0,0|3,0,0]=3 74 B15R1.157 CCCCC(C)NCCc1ccncc1 2230a_100000126638_100000723409 [0,0,0,0,0,0|3,0,0]=3 75 B15R1.157 CCCCC(C)NCCc1ccncc1 270004a_100000742849_100000210087 [0,0,0,0,0,0|3,0,0]=3 76 B15R1.157 CCCCC(C)NCCc1cnccn1 270004a_100000723456_100000210087 [0,0,0,0,0,0|4,0,0]=4 77 B15R1.157 CCCCC(C)NCSc1ccccc1 2230a_100000126638_100011218342 [0,0,0,0,0,0|3,0,0]=3 78 B15R1.157 CCCCC(C)OCCc1ccccc1 34a_100000210268_200011215066 [0,0,0,0,0,0|1,0,0]=1 79 B15R1.157 CCCCC(C)OCCc1ccccc1 34a_100000687866_100000765856 [0,0,0,0,0,0|1,0,0]=1 80 B15R1.157 CCCCC(C)OCCc1ccccc1 7a_100000210268_200011215066 [0,0,0,0,0,0|1,0,0]=1 81 B15R1.157 CCCCC(C)OCCc1ccccc1 7a_100000687866_100000765856 [0,0,0,0,0,0|1,0,0]=1 82 B15R1.157 CCCCC(C)OCCc1ccccn1 34a_100000210271_200011215066 [0,0,0,0,0,0|2,0,0]=2 83 B15R1.157 CCCCC(C)OCCc1ccccn1 7a_100000687866_100015183660 [0,0,0,0,0,0|2,0,0]=2 84 B15R1.157 CCCCC(C)OCCc1cccnc1 34a_100011217484_200011215066 [0,0,0,0,0,0|2,0,0]=2 85 B15R1.157 CCCCC(C)OCCc1cccnc1 7a_100000687866_200011713674 [0,0,0,0,0,0|2,0,0]=2 86 B15R1.157 CCCCC(C)OCCc1ccncc1 34a_100011216225_200011215066 [0,0,0,0,0,0|2,0,0]=2 87 B15R1.157 CCCCC(C)OCCc1ccncc1 7a_100000687866_100000723409 [0,0,0,0,0,0|2,0,0]=2 88 B15R1.157 CCCCC(C)OCCc1cnccn1 34a_100011349526_200011215066 [0,0,0,0,0,0|3,0,0]=3 89 B15R1.157 CCCCC(C)OCCc1cncnc1 34a_100011709255_200011215066 [0,0,0,0,0,0|3,0,0]=3 90 B15R1.157 CCCCC(C)SCCc1ccccc1 62a_100000765856_200011215066 [0,0,0,0,0,0|1,1,0]=2 91 B15R1.157 CCCCC(C)SCCc1ccccc1 62a_200011215066_100011218657 [0,0,0,0,0,0|1,1,0]=2 92 B15R1.157 CCCCC(C)SCCc1ccccn1 62a_100015183660_200011215066 [0,0,0,0,0,0|2,1,0]=3 93 B15R1.157 CCCCC(C)SCCc1ccccn1 62a_200011215066_100015183660 [0,0,0,0,0,0|2,1,0]=3 94 B15R1.157 CCCCC(C)SCCc1cccnc1 62a_200011215066_200011713674 [0,0,0,0,0,0|2,1,0]=3 95 B15R1.157 CCCCC(C)SCCc1cccnc1 62a_200011713674_200011215066 [0,0,0,0,0,0|2,1,0]=3 96 B15R1.157 CCCCC(C)SCCc1ccncc1 62a_100000723409_200011215066 [0,0,0,0,0,0|2,1,0]=3 97 B15R1.157 CCCCC(C)SCCc1ccncc1 62a_200011215066_100000723409 [0,0,0,0,0,0|2,1,0]=3 98 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000207549_100000211621 [0,0,0,0,0,0|3,0,0]=3 99 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210211 [0,0,0,0,0,0|3,0,0]=3 100 B15R1.157 CCCCN(C)CCCc1ccccc1 2230a_200000200706_200000210301 [0,0,0,0,0,0|3,0,0]=3 101 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000207549_100000211621 [0,0,0,0,0,0|3,0,0]=3 102 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210211 [0,0,0,0,0,0|3,0,0]=3 103 B15R1.157 CCCCN(C)CCCc1ccccc1 269982a_200000200706_200000210301 [0,0,0,0,0,0|3,0,0]=3 104 B15R1.157 CCCCN(C)CCCc1ccccc1 34a_200000200706_200000210301 [0,0,0,0,0,0|3,0,0]=3 105 B15R1.157 CCCCN(C)CCOc1ccccc1 2230a_100000184383_100000210211 [0,0,0,0,0,0|4,0,0]=4 106 B15R1.157 CCCCN(C)CCOc1ccccc1 2230a_100000207549_100000184471 [0,0,0,0,0,0|4,0,0]=4 107 B15R1.157 CCCCN(C)CCOc1ccccc1 269982a_100000184383_100000210211 [0,0,0,0,0,0|4,0,0]=4 108 B15R1.157 CCCCN(C)CCOc1ccccc1 269982a_100000207549_100000184471 [0,0,0,0,0,0|4,0,0]=4 109 B15R1.157 CCCCN(C)CCOc1ccccc1 270004a_100000207549_100000758736 [0,0,0,0,0,0|4,0,0]=4 110 B15R1.157 CCCCN(C)CCSc1ccccc1 2230a_100000207549_100000246102 [0,0,0,0,0,0|4,0,0]=4 111 B15R1.157 CCCCN(C)CCSc1ccccc1 269982a_100000207549_100000246102 [0,0,0,0,0,0|4,0,0]=4 112 B15R1.157 CCCCN(C)COCc1ccccc1 2230a_100000207549_100000763385 [0,0,0,0,0,0|4,0,0]=4 113 B15R1.157 CCCCN(C)CSCc1ccccc1 2230a_100000207549_200011217039 [0,0,0,0,0,0|4,0,0]=4 114 B15R1.157 CCCCN(C)CSCc1ccccc1 269982a_100000207549_200011217039 [0,0,0,0,0,0|4,0,0]=4 115 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 2230a_200000200706_200025704644 [0,0,0,0,0,0|3,0,0]=3 116 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 269982a_200000200706_200025704644 [0,0,0,0,0,0|3,0,0]=3 117 B15R1.157 CCCCN([13CH3])CCCc1ccccc1 34a_200000200706_200025704644 [0,0,0,0,0,0|3,0,0]=3 118 B15R1.157 CCCC[C@H](N)COCc1ccccc1 34a_100011934283_100015291786 [0,0,0,0,0,0|4,0,0]=4 119 B15R1.157 CCCNC(=O)CCCc1ccccc1 11a_100020643023_100011207963 [0,0,0,0,0,0|3,0,1]=4 120 B15R1.157 CCCNC(=O)CCCc1ccccc1 1626a_100020643023_100011207963 [0,0,0,0,0,0|3,0,1]=4 121 B15R1.157 CCCNC(=O)CCCc1ccccc1 240690a_100020643023_100011207963 [0,0,0,0,0,0|3,0,1]=4 122 B15R1.157 CCCNC(=O)CCCc1ccccc1 527a_100020643023_100011207963 [0,0,0,0,0,0|3,0,1]=4 123 B15R1.157 CCCNC(=O)NCCc1ccccc1 2708a_100000106460_100020643023 [0,0,0,0,0,0|3,0,1]=4 124 B15R1.157 CCCNC(=O)NCCc1ccccc1 2708a_100020643023_100000106460 [0,0,0,0,0,0|3,0,1]=4 125 B15R1.157 CCCNC(=O)NCCc1ccccc1 273464a_100000106460_100020643023 [0,0,0,0,0,0|3,0,1]=4 126 B15R1.157 CCCNC(=O)NCCc1ccccc1 273464a_100020643023_100000106460 [0,0,0,0,0,0|3,0,1]=4 127 B15R1.157 CCCNC(=O)NCCc1ccccc1 512a_100000106460_100020643023 [0,0,0,0,0,0|3,0,1]=4 128 B15R1.157 CCCNC(=O)NCCc1ccccc1 512a_100020643023_100000106460 [0,0,0,0,0,0|3,0,1]=4 129 B15R1.157 CCCNC(C)COCc1ccccc1 270004a_100020643023_100011215004 [0,0,0,0,0,0|3,0,0]=3 130 B15R1.157 CCCNC(C)CSCc1ccccc1 270004a_100020643023_100000172147 [0,0,0,0,0,0|3,0,0]=3 131 B15R1.157 CCCOC(=O)CNCc1ccccc1 2230a_100015324214_200011215008 [0,0,0,0,0,0|3,0,1]=4 132 B15R1.157 CCCOC(=O)CNCc1ccccc1 34a_100015324214_200011215008 [0,0,0,0,0,0|3,0,1]=4 133 B15R1.157 CCCOC(=O)COCc1ccccc1 34a_100000210790_200011215008 [0,0,0,0,0,0|3,0,1]=4 134 B15R1.157 CCCOC(=O)COCc1ccccc1 7a_100000210790_200011215008 [0,0,0,0,0,0|3,0,1]=4 135 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_100000211182_200011215008 [0,0,0,0,0,0|3,0,1]=4 136 B15R1.157 CCCOC(=O)CSCc1ccccc1 62a_200011215008_100015291786 [0,0,0,0,0,0|3,0,1]=4 137 B15R1.157 CCCOC(=O)OCNc1ccccc1 34a_100000106764_200000139673 [0,0,0,0,0,0|2,0,1]=3 138 B15R1.157 CCCOC(=O)OCOc1ccccc1 34a_100000210340_200000139673 [0,0,0,0,0,0|2,0,1]=3 139 B15R1.157 CCCOC(=O)OCOc1ccccc1 7a_100000210340_200000139673 [0,0,0,0,0,0|2,0,1]=3 140 B15R1.157 CCCOC(=O)OCOc1cccnc1 34a_100000210849_200000139673 [0,0,0,0,0,0|3,0,1]=4 141 B15R1.157 CCCOC(=O)OCOc1cccnc1 7a_100000210849_200000139673 [0,0,0,0,0,0|3,0,1]=4 142 B15R1.157 CCCOC(=O)OCOc1ccncc1 34a_100000212176_200000139673 [0,0,0,0,0,0|3,0,1]=4 143 B15R1.157 CCCOC(=O)OCSc1ccccc1 62a_100000719477_200000139673 [0,0,0,0,0,0|2,0,1]=3 144 B15R1.157 CCCOC(=O)OCSc1ccccn1 62a_100011216584_200000139673 [0,0,0,0,0,0|3,0,1]=4 145 B15R1.157 CCCOC(=O)OCSc1cccnc1 62a_100000210063_200000139673 [0,0,0,0,0,0|3,0,1]=4 146 B15R1.157 CCCOC(=O)OCSc1ccncc1 62a_100000728582_200000139673 [0,0,0,0,0,0|3,0,1]=4 147 B15R1.157 CCCOC(C)CCCc1ccccc1 34a_100000210258_200010759516 [0,0,0,0,0,0|1,0,0]=1 148 B15R1.157 CCCOC(C)CNCc1ccccc1 207a_100015185124_100015611070 [0,0,0,0,0,0|2,0,0]=2 149 B15R1.157 CCCOC(C)CNCc1ccccc1 2230a_100015185124_100015291786 [0,0,0,0,0,0|2,0,0]=2 150 B15R1.157 CCCOC(C)CNCc1ccccc1 270004a_100015185124_100015611070 [0,0,0,0,0,0|2,0,0]=2 151 B15R1.157 CCCOC(C)CNCc1ccccc1 34a_100015185124_100015291786 [0,0,0,0,0,0|2,0,0]=2 152 B15R1.157 CCCOC(C)CNCc1ccccn1 207a_100015185124_100000209966 [0,0,0,0,0,0|3,0,0]=3 153 B15R1.157 CCCOC(C)CNCc1ccccn1 2230a_100015185124_100000721315 [0,0,0,0,0,0|3,0,0]=3 154 B15R1.157 CCCOC(C)CNCc1ccccn1 270004a_100015185124_100000209966 [0,0,0,0,0,0|3,0,0]=3 155 B15R1.157 CCCOC(C)CNCc1ccccn1 34a_100015185124_100000721315 [0,0,0,0,0,0|3,0,0]=3 156 B15R1.157 CCCOC(C)CNCc1cccnc1 207a_100015185124_100000209961 [0,0,0,0,0,0|3,0,0]=3 157 B15R1.157 CCCOC(C)CNCc1cccnc1 2230a_100015185124_100000741622 [0,0,0,0,0,0|3,0,0]=3 158 B15R1.157 CCCOC(C)CNCc1cccnc1 270004a_100015185124_100000209961 [0,0,0,0,0,0|3,0,0]=3 159 B15R1.157 CCCOC(C)CNCc1cccnc1 34a_100015185124_100000733263 [0,0,0,0,0,0|3,0,0]=3 160 B15R1.157 CCCOC(C)CNCc1cccnn1 2230a_100015185124_100016990269 [0,0,0,0,0,0|4,0,0]=4 161 B15R1.157 CCCOC(C)CNCc1cccnn1 34a_100015185124_100016990269 [0,0,0,0,0,0|4,0,0]=4 162 B15R1.157 CCCOC(C)CNCc1ccncc1 207a_100015185124_100000186114 [0,0,0,0,0,0|3,0,0]=3 163 B15R1.157 CCCOC(C)CNCc1ccncc1 2230a_100015185124_100015193705 [0,0,0,0,0,0|3,0,0]=3 164 B15R1.157 CCCOC(C)CNCc1ccnnc1 270004a_100015185124_100011934578 [0,0,0,0,0,0|4,0,0]=4 165 B15R1.157 CCCOC(C)CNCc1cnccn1 2230a_100015185124_100016995436 [0,0,0,0,0,0|4,0,0]=4 166 B15R1.157 CCCOC(C)CNCc1cnccn1 270004a_100015185124_100000749867 [0,0,0,0,0,0|4,0,0]=4 167 B15R1.157 CCCOC(C)CNCc1cnccn1 34a_100015185124_100016995436 [0,0,0,0,0,0|4,0,0]=4 168 B15R1.157 CCCOC(C)CNCc1cncnc1 2230a_100015185124_100015196519 [0,0,0,0,0,0|4,0,0]=4 169 B15R1.157 CCCOC(C)CNCc1cncnc1 270004a_100015185124_100000749868 [0,0,0,0,0,0|4,0,0]=4 170 B15R1.157 CCCOC(C)CNCc1cncnc1 34a_100015185124_100015196519 [0,0,0,0,0,0|4,0,0]=4 171 B15R1.157 CCCOC(C)CNCc1ncccn1 2230a_100015185124_100000703007 [0,0,0,0,0,0|4,0,0]=4 172 B15R1.157 CCCOC(C)CNCc1ncccn1 270004a_100015185124_100011532527 [0,0,0,0,0,0|4,0,0]=4 173 B15R1.157 CCCOC(C)CNCc1ncccn1 34a_100015185124_100000703007 [0,0,0,0,0,0|4,0,0]=4 174 B15R1.157 CCCOC(C)COCc1ccccc1 34a_100000764311_100000210303 [0,0,0,0,0,0|2,0,0]=2 175 B15R1.157 CCCOC(C)COCc1ccccc1 7a_100000764311_100000210303 [0,0,0,0,0,0|2,0,0]=2 176 B15R1.157 CCCSC(C)CCCc1ccccc1 62a_100000210303_200010759516 [0,0,0,0,0,0|1,1,0]=2 177 B15R1.157 CCCSC(C)CCCc1ccccc1 62a_200010759516_100000210303 [0,0,0,0,0,0|1,1,0]=2 178 B15R1.157 CCNCC(=O)OCCc1ccccc1 2230a_100015525214_200000077782 [0,0,0,0,0,0|3,0,1]=4 179 B15R1.157 CCNCC(C)COCc1ccccc1 2230a_100015525214_100011216253 [0,0,0,0,0,0|4,0,0]=4 180 B15R1.157 CCOCC(=O)OCCc1ccccc1 34a_100121572206_200000077782 [0,0,0,0,0,0|3,0,1]=4 181 B15R1.157 CCOCC(C)CNCc1ccccc1 34a_100015184949_100000210202 [0,0,0,0,0,0|4,0,0]=4 182 B15R1.157 CCOCC(C)COCc1ccccc1 34a_100121572206_100011216253 [0,0,0,0,0,0|4,0,0]=4 183 B15R1.157 CCOCC(C)COCc1ccccc1 34a_200011216033_100000210202 [0,0,0,0,0,0|4,0,0]=4 184 B15R1.157 CCOCC(C)COCc1ccccc1 7a_200011216033_100000210202 [0,0,0,0,0,0|4,0,0]=4 185 B15R1.157 CCOCC(C)OCCc1ccccc1 34a_100000718985_100000765856 [0,0,0,0,0,0|2,0,0]=2 186 B15R1.157 CCOCC(C)OCCc1ccccc1 7a_100000718985_100000765856 [0,0,0,0,0,0|2,0,0]=2 187 B15R1.157 CCOCC(C)OCCc1ccccn1 7a_100000718985_100015183660 [0,0,0,0,0,0|3,0,0]=3 188 B15R1.157 CCOCC(C)OCCc1cccnc1 7a_100000718985_200011713674 [0,0,0,0,0,0|3,0,0]=3 189 B15R1.157 CCOCC(C)OCCc1ccncc1 7a_100000718985_100000723409 [0,0,0,0,0,0|3,0,0]=3 190 B15R1.157 CCOCN(C)CCCc1ccccc1 269982a_100000693637_100000739092 [0,0,0,0,0,0|4,0,0]=4 191 B15R1.157 CCSCC(=O)OCCc1ccccc1 62a_100000210202_200000077782 [0,0,0,0,0,0|3,0,1]=4 192 B15R1.157 CCSCC(=O)OCCc1ccccc1 62a_200000077782_100000210202 [0,0,0,0,0,0|3,0,1]=4 193 B15R1.157 CCSCC(C)COCc1ccccc1 62a_100000210202_100011216253 [0,0,0,0,0,0|4,0,0]=4 194 B15R1.157 CCSCC(C)COCc1ccccc1 62a_100011216253_100000210202 [0,0,0,0,0,0|4,0,0]=4 195 B15R1.157 CCSCC(C)NCCc1ccccc1 270004a_100000106460_200011216171 [0,0,0,0,0,0|3,0,0]=3 196 B15R1.157 CCSCC(C)NCCc1ccccn1 270004a_100000211156_200011216171 [0,0,0,0,0,0|4,0,0]=4 197 B15R1.157 CCSCC(C)NCCc1cccnc1 270004a_100000736294_200011216171 [0,0,0,0,0,0|4,0,0]=4 198 B15R1.157 CCSCC(C)NCCc1ccncc1 270004a_100000742849_200011216171 [0,0,0,0,0,0|4,0,0]=4 199 B15R1.157 CN(CCCF)CCCc1ccccc1 2230a_100000693637_100011934791 [0,0,0,0,0,0|4,0,0]=4 200 B15R1.157 CN(CCCF)CCCc1ccccc1 269982a_100000693637_100011934791 [0,0,0,0,0,0|4,0,0]=4 201 B15R1.157 CN(CCCO)CCCc1ccccc1 2230a_100000213112_100000211621 [0,0,0,0,0,0|4,0,0]=4 202 B15R1.157 CN(CCCO)CCCc1ccccc1 2230a_100000693637_100000230001 [0,0,0,0,0,0|4,0,0]=4 203 B15R1.157 CN(CCCO)CCCc1ccccc1 269982a_100000213112_100000211621 [0,0,0,0,0,0|4,0,0]=4 204 B15R1.157 CN(CCCO)CCCc1ccccc1 269982a_100000693637_100011215043 [0,0,0,0,0,0|4,0,0]=4 205 B15R1.157 COCCC(C)NCCc1ccccc1 270004a_100000106460_100000742357 [0,0,0,0,0,0|3,0,0]=3 206 B15R1.157 COCCC(C)NCCc1ccccn1 270004a_100000211156_100000742357 [0,0,0,0,0,0|4,0,0]=4 207 B15R1.157 COCCC(C)NCCc1cccnc1 270004a_100000736294_100000742357 [0,0,0,0,0,0|4,0,0]=4 208 B15R1.157 COCCC(C)NCCc1ccncc1 270004a_100000742849_100000742357 [0,0,0,0,0,0|4,0,0]=4 209 B15R1.157 COCCN(C)CCCc1ccccc1 2230a_100000693637_100011201679 [0,0,0,0,0,0|4,0,0]=4 210 B15R1.157 COCCN(C)CCCc1ccccc1 2230a_100000743101_100000211621 [0,0,0,0,0,0|4,0,0]=4 211 B15R1.157 COCCN(C)CCCc1ccccc1 269982a_100000693637_100000233755 [0,0,0,0,0,0|4,0,0]=4 212 B15R1.157 COCCN(C)CCCc1ccccc1 269982a_100000743101_100000211621 [0,0,0,0,0,0|4,0,0]=4 213 B15R1.157 COCO[C@H](C)COCc1ccccc1 34a_100016172286_100015291786 [0,0,0,0,0,0|3,0,0]=3 214 B15R1.157 COCO[C@H](C)COCc1ccccc1 7a_100016172286_100000211182 [0,0,0,0,0,0|3,0,0]=3 215 B15R1.157 COCO[C@H](C)COCc1ccccn1 34a_100016172286_100000721315 [0,0,0,0,0,0|4,0,0]=4 216 B15R1.157 COCO[C@H](C)COCc1ccccn1 7a_100016172286_100000721315 [0,0,0,0,0,0|4,0,0]=4 217 B15R1.157 COCO[C@H](C)COCc1cccnc1 34a_100016172286_100000733263 [0,0,0,0,0,0|4,0,0]=4 218 B15R1.157 COCO[C@H](C)COCc1cccnc1 7a_100016172286_100000741622 [0,0,0,0,0,0|4,0,0]=4 219 B15R1.157 COCO[C@H](C)COCc1ccncc1 7a_100016172286_100015193705 [0,0,0,0,0,0|4,0,0]=4 220 B15R1.157 COCSC(C)CCCc1ccccc1 62a_100000766300_200010759516 [0,0,0,0,0,0|2,1,0]=3 221 B15R1.157 COCSC(C)CCCc1ccccc1 62a_200010759516_100000766300 [0,0,0,0,0,0|2,1,0]=3 222 B15R1.157 CSCCC(C)NCCc1ccccc1 270004a_100000106460_100011217047 [0,0,0,0,0,0|3,0,0]=3 223 B15R1.157 CSCCC(C)NCCc1ccccn1 270004a_100000211156_100011217047 [0,0,0,0,0,0|4,0,0]=4 224 B15R1.157 CSCCC(C)NCCc1cccnc1 270004a_100000736294_100011217047 [0,0,0,0,0,0|4,0,0]=4 225 B15R1.157 CSCCC(C)NCCc1ccncc1 270004a_100000742849_100011217047 [0,0,0,0,0,0|4,0,0]=4 226 B15R1.157 CSCCN(C)CCCc1ccccc1 2230a_100000686725_100000211621 [0,0,0,0,0,0|4,0,0]=4 227 B15R1.157 CSCCN(C)CCCc1ccccc1 2230a_100000693637_100000751147 [0,0,0,0,0,0|4,0,0]=4 228 B15R1.157 CSCCN(C)CCCc1ccccc1 269982a_100000686725_100000211621 [0,0,0,0,0,0|4,0,0]=4 229 B15R1.157 CSCCN(C)CCCc1ccccc1 269982a_100000693637_100000212216 [0,0,0,0,0,0|4,0,0]=4 230 B15R1.157 CSCOC(C)COCc1ccccc1 34a_100000764311_100011218213 [0,0,0,0,0,0|3,0,0]=3 231 B15R1.157 CSCSC(C)CCCc1ccccc1 62a_100011218213_200010759516 [0,0,0,0,0,0|2,1,0]=3 232 B15R1.157 CSCSC(C)CCCc1ccccc1 62a_200010759516_100011218213 [0,0,0,0,0,0|2,1,0]=3 233 B15R1.157 C[C@H](CCCO)CNCc1ccccc1 207a_100160569302_100015611070 [0,0,0,0,0,0|4,0,0]=4 234 B15R1.157 C[C@H](CCCO)CNCc1ccccc1 2230a_100160569302_100015291786 [0,0,0,0,0,0|4,0,0]=4 235 B15R1.157 C[C@H](CCCO)CNCc1ccccc1 270004a_100160569302_100015611070 [0,0,0,0,0,0|4,0,0]=4 236 B15R1.157 C[C@H](CCCO)CNCc1ccccc1 34a_100160569302_100015291786 [0,0,0,0,0,0|4,0,0]=4 237 B14R1.123 BrCCCCOCCc1ccccc1 34a_100011216708_100000765856 [1,0,0,0,0,0|2,0,0]=3 238 B14R1.123 BrCCOCCCCc1ccccc1 34a_100000211926_100000701786 [1,0,0,0,0,0|2,0,0]=3 239 B14R1.123 BrCCOCCCOc1ccccc1 34a_100000211926_100000199009 [1,0,0,0,0,0|3,0,0]=4 240 B14R1.123 BrCCOCCCSc1ccccc1 34a_100000211926_200011203293 [1,0,0,0,0,0|3,0,0]=4 241 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000211926_100000234347 [1,0,0,0,0,0|3,0,0]=4 242 B14R1.123 BrCCOCCOCc1ccccc1 34a_100000692535_100015291786 [1,0,0,0,0,0|3,0,0]=4 243 B14R1.123 BrCCOCCOCc1ccccc1 7a_100000692535_100000211182 [1,0,0,0,0,0|3,0,0]=4 244 B14R1.123 BrCCOCCSCc1ccccc1 34a_100000211926_200011297719 [1,0,0,0,0,0|3,0,0]=4 245 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000210268_100000695029 [1,0,0,0,0,0|1,0,2]=4 246 B14R1.123 C#CCCCOCCc1ccccc1 34a_100000215630_100000765856 [1,0,0,0,0,0|1,0,2]=4 247 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000210268_100011215417 [1,0,0,0,0,0|1,0,2]=4 248 B14R1.123 C#CCCCOCCc1ccccc1 7a_100000215630_100000765856 [1,0,0,0,0,0|1,0,2]=4 249 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000210247_100000701786 [1,0,0,0,0,0|1,0,2]=4 250 B14R1.123 C#CCOCCCCc1ccccc1 34a_100000703073_100000184674 [1,0,0,0,0,0|1,0,2]=4 251 B14R1.123 C#CCOCCCCc1ccccc1 7a_100000703073_100000038162 [1,0,0,0,0,0|1,0,2]=4 252 B14R1.123 C/C=C/CCOCCc1ccccc1 34a_100016278192_100000765856 [1,0,0,0,0,0|1,0,2]=4 253 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000210268_100000757094 [1,0,0,0,0,0|1,0,2]=4 254 B14R1.123 C=CCCCOCCc1ccccc1 34a_100000758997_100000765856 [1,0,0,0,0,0|1,0,2]=4 255 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000210268_100000757094 [1,0,0,0,0,0|1,0,2]=4 256 B14R1.123 C=CCCCOCCc1ccccc1 7a_100000758997_100000765856 [1,0,0,0,0,0|1,0,2]=4 257 B14R1.123 C=CCOCCCCc1ccccc1 34a_100000703073_100015514636 [1,0,0,0,0,0|1,0,2]=4 258 B14R1.123 C=CCOCCCCc1ccccc1 34a_200000210373_100000701786 [1,0,0,0,0,0|1,0,2]=4 259 B14R1.123 C=CCOCCCCc1ccccc1 7a_100000703073_100015514636 [1,0,0,0,0,0|1,0,2]=4 260 B14R1.123 CC#CCCOCCc1ccccc1 34a_100000750427_100000765856 [1,0,0,0,0,0|1,0,2]=4 261 B14R1.123 CC/C=C\CNCCc1ccccc1 2230a_100000106460_100103147603 [1,0,0,0,0,0|2,0,1]=4 262 B14R1.123 CC/C=C\CNCCc1ccccc1 34a_100000106460_100103147603 [1,0,0,0,0,0|2,0,1]=4 263 B14R1.123 CC/C=C\COCCc1ccccc1 34a_100000210268_100103147603 [1,0,0,0,0,0|1,0,1]=3 264 B14R1.123 CC/C=C\COCCc1ccccc1 34a_100016268518_100000765856 [1,0,0,0,0,0|1,0,1]=3 265 B14R1.123 CC/C=C\COCCc1ccccc1 7a_100000210268_100103147603 [1,0,0,0,0,0|1,0,1]=3 266 B14R1.123 CC/C=C\COCCc1ccccn1 34a_100000210271_100103147603 [1,0,0,0,0,0|2,0,1]=4 267 B14R1.123 CC/C=C\COCCc1cccnc1 34a_100011217484_100103147603 [1,0,0,0,0,0|2,0,1]=4 268 B14R1.123 CC/C=C\COCCc1ccncc1 34a_100011216225_100103147603 [1,0,0,0,0,0|2,0,1]=4 269 B14R1.123 CC/C=C\CSCCc1ccccc1 62a_100000765856_100103147603 [1,0,0,0,0,0|1,1,1]=4 270 B14R1.123 CC/C=C\CSCCc1ccccc1 62a_100103147603_100011218657 [1,0,0,0,0,0|1,1,1]=4 271 B14R1.123 CCC#CCNCCc1ccccc1 2230a_100000106460_100009813939 [1,0,0,0,0,0|2,0,1]=4 272 B14R1.123 CCC#CCNCCc1ccccc1 34a_100000106460_100009813939 [1,0,0,0,0,0|2,0,1]=4 273 B14R1.123 CCC#CCOCCc1ccccc1 34a_100000032950_100000765856 [1,0,0,0,0,0|1,0,1]=3 274 B14R1.123 CCC#CCOCCc1ccccc1 34a_100000210268_100009813939 [1,0,0,0,0,0|1,0,1]=3 275 B14R1.123 CCC#CCOCCc1ccccc1 7a_100000210268_100009813939 [1,0,0,0,0,0|1,0,1]=3 276 B14R1.123 CCC#CCOCCc1ccccn1 34a_100000210271_100009813939 [1,0,0,0,0,0|2,0,1]=4 277 B14R1.123 CCC#CCOCCc1cccnc1 34a_100011217484_100009813939 [1,0,0,0,0,0|2,0,1]=4 278 B14R1.123 CCC#CCOCCc1ccncc1 34a_100011216225_100009813939 [1,0,0,0,0,0|2,0,1]=4 279 B14R1.123 CCC#CCSCCc1ccccc1 62a_100000765856_100009813939 [1,0,0,0,0,0|1,1,1]=4 280 B14R1.123 CCC#CCSCCc1ccccc1 62a_100009813939_100011218657 [1,0,0,0,0,0|1,1,1]=4 281 B14R1.123 CCCC=NNCCc1ccccc1 4a_100000740470_100000185831 [1,0,0,0,0,0|3,0,0]=4 282 B14R1.123 CCCCCCCNc1ccccc1 34a_100000106764_100000210614 [1,0,0,0,0,0|3,0,0]=4 283 B14R1.123 CCCCCCCOc1ccccc1 34a_100000210340_100000210614 [1,0,0,0,0,0|3,0,0]=4 284 B14R1.123 CCCCCCCOc1ccccc1 7a_100000210340_100000210614 [1,0,0,0,0,0|3,0,0]=4 285 B14R1.123 CCCCCCCSc1ccccc1 62a_100000210614_100000041952 [1,0,0,0,0,0|3,0,0]=4 286 B14R1.123 CCCCCCCSc1ccccc1 62a_100000719477_100000210316 [1,0,0,0,0,0|3,0,0]=4 287 B14R1.123 CCCCCCNCc1ccccc1 207a_100000210581_100015611070 [1,0,0,0,0,0|3,0,0]=4 288 B14R1.123 CCCCCCNCc1ccccc1 2230a_100000210581_100015291786 [1,0,0,0,0,0|3,0,0]=4 289 B14R1.123 CCCCCCNCc1ccccc1 2230a_100015324214_100000210314 [1,0,0,0,0,0|3,0,0]=4 290 B14R1.123 CCCCCCNCc1ccccc1 270004a_100000210581_100015611070 [1,0,0,0,0,0|3,0,0]=4 291 B14R1.123 CCCCCCNCc1ccccc1 34a_100015324214_100000210314 [1,0,0,0,0,0|3,0,0]=4 292 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210259_100015291786 [1,0,0,0,0,0|3,0,0]=4 293 B14R1.123 CCCCCCOCc1ccccc1 34a_100000210790_100000210314 [1,0,0,0,0,0|3,0,0]=4 294 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210259_100000211182 [1,0,0,0,0,0|3,0,0]=4 295 B14R1.123 CCCCCCOCc1ccccc1 7a_100000210790_100000210314 [1,0,0,0,0,0|3,0,0]=4 296 B14R1.123 CCCCCCSCc1ccccc1 62a_100000210314_100015291786 [1,0,0,0,0,0|3,0,0]=4 297 B14R1.123 CCCCCCSCc1ccccc1 62a_100000211182_100000210757 [1,0,0,0,0,0|3,0,0]=4 298 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000106460_100000210326 [1,0,0,0,0,0|2,0,0]=3 299 B14R1.123 CCCCCNCCc1ccccc1 2230a_100000209983_100000765856 [1,0,0,0,0,0|2,0,0]=3 300 B14R1.123 CCCCCNCCc1ccccc1 34a_100000106460_100000718602 [1,0,0,0,0,0|2,0,0]=3 301 B14R1.123 CCCCCNCCc1ccccn1 2230a_100000209983_100015183660 [1,0,0,0,0,0|3,0,0]=4 302 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000209983_200011713674 [1,0,0,0,0,0|3,0,0]=4 303 B14R1.123 CCCCCNCCc1cccnc1 2230a_100000736294_100000210326 [1,0,0,0,0,0|3,0,0]=4 304 B14R1.123 CCCCCNCCc1ccncc1 2230a_100000209983_100000723409 [1,0,0,0,0,0|3,0,0]=4 305 B14R1.123 CCCCCNCSc1ccccc1 2230a_100000209983_100011218342 [1,0,0,0,0,0|3,0,0]=4 306 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210253_100000765856 [1,0,0,0,0,0|1,0,0]=2 307 B14R1.123 CCCCCOCCc1ccccc1 34a_100000210268_100000718602 [1,0,0,0,0,0|1,0,0]=2 308 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210253_100000765856 [1,0,0,0,0,0|1,0,0]=2 309 B14R1.123 CCCCCOCCc1ccccc1 7a_100000210268_100000210326 [1,0,0,0,0,0|1,0,0]=2 310 B14R1.123 CCCCCOCCc1ccccn1 34a_100000210271_100000718602 [1,0,0,0,0,0|2,0,0]=3 311 B14R1.123 CCCCCOCCc1ccccn1 7a_100000210253_100015183660 [1,0,0,0,0,0|2,0,0]=3 312 B14R1.123 CCCCCOCCc1cccnc1 34a_100011217484_100000718602 [1,0,0,0,0,0|2,0,0]=3 313 B14R1.123 CCCCCOCCc1cccnc1 7a_100000210253_200011713674 [1,0,0,0,0,0|2,0,0]=3 314 B14R1.123 CCCCCOCCc1ccncc1 34a_100011216225_100000718602 [1,0,0,0,0,0|2,0,0]=3 315 B14R1.123 CCCCCOCCc1ccncc1 7a_100000210253_100000723409 [1,0,0,0,0,0|2,0,0]=3 316 B14R1.123 CCCCCOCCc1cnccn1 34a_100011349526_100000718602 [1,0,0,0,0,0|3,0,0]=4 317 B14R1.123 CCCCCOCCc1cncnc1 34a_100011709255_100000718602 [1,0,0,0,0,0|3,0,0]=4 318 B14R1.123 CCCCCSCCc1ccccc1 62a_100000210326_100011218657 [1,0,0,0,0,0|1,1,0]=3 319 B14R1.123 CCCCCSCCc1ccccc1 62a_100000765856_100000210326 [1,0,0,0,0,0|1,1,0]=3 320 B14R1.123 CCCCCSCCc1ccccn1 62a_100000210326_100015183660 [1,0,0,0,0,0|2,1,0]=4 321 B14R1.123 CCCCCSCCc1ccccn1 62a_100015183660_100000210326 [1,0,0,0,0,0|2,1,0]=4 322 B14R1.123 CCCCCSCCc1cccnc1 62a_100000210326_200011713674 [1,0,0,0,0,0|2,1,0]=4 323 B14R1.123 CCCCCSCCc1cccnc1 62a_200011713674_100000210326 [1,0,0,0,0,0|2,1,0]=4 324 B14R1.123 CCCCCSCCc1ccncc1 62a_100000210326_100000723409 [1,0,0,0,0,0|2,1,0]=4 325 B14R1.123 CCCCCSCCc1ccncc1 62a_100000723409_100000210326 [1,0,0,0,0,0|2,1,0]=4 326 B14R1.123 CCCCCSCSc1ccccc1 62a_100000210326_100011218342 [1,0,0,0,0,0|2,1,0]=4 327 B14R1.123 CCCCCSCSc1ccccc1 62a_100011218342_100000210326 [1,0,0,0,0,0|2,1,0]=4 328 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000102301_100000211621 [1,0,0,0,0,0|3,0,0]=4 329 B14R1.123 CCCCNCCCc1ccccc1 2230a_100000211184_100000210211 [1,0,0,0,0,0|3,0,0]=4 330 B14R1.123 CCCCNCCCc1ccccc1 34a_100000211184_100000210210 [1,0,0,0,0,0|3,0,0]=4 331 B14R1.123 CCCCNCCCc1ccccc1 7a_106832991798_100000211621 [1,0,0,0,0,0|3,0,0]=4 332 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210227_100000211621 [1,0,0,0,0,0|3,0,0]=4 333 B14R1.123 CCCCOCCCc1ccccc1 34a_100000210828_100000210210 [1,0,0,0,0,0|3,0,0]=4 334 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210227_100000211621 [1,0,0,0,0,0|3,0,0]=4 335 B14R1.123 CCCCOCCCc1ccccc1 7a_100000210828_100000210211 [1,0,0,0,0,0|3,0,0]=4 336 B14R1.123 CCCCSCCCc1ccccc1 62a_100000210211_100000211621 [1,0,0,0,0,0|3,0,0]=4 337 B14R1.123 CCCCSCCCc1ccccc1 62a_100000211621_100000210210 [1,0,0,0,0,0|3,0,0]=4 338 B14R1.123 CCCNCCCCc1ccccc1 2230a_100015280158_100000210303 [1,0,0,0,0,0|2,0,0]=3 339 B14R1.123 CCCNCCCCc1ccccc1 34a_100015280158_100000210303 [1,0,0,0,0,0|2,0,0]=3 340 B14R1.123 CCCNCCCOc1ccccc1 2230a_100000216521_100000210303 [1,0,0,0,0,0|3,0,0]=4 341 B14R1.123 CCCNCCCOc1ccccc1 34a_100000216521_100000210303 [1,0,0,0,0,0|3,0,0]=4 342 B14R1.123 CCCNCCCSc1ccccc1 2230a_100000184639_100000210303 [1,0,0,0,0,0|3,0,0]=4 343 B14R1.123 CCCNCCOCc1ccccc1 2230a_100000753106_100000210303 [1,0,0,0,0,0|3,0,0]=4 344 B14R1.123 CCCNCCOCc1ccccc1 34a_100000753106_100000210303 [1,0,0,0,0,0|3,0,0]=4 345 B14R1.123 CCCNCCSCc1ccccc1 2230a_100000189534_100000210303 [1,0,0,0,0,0|3,0,0]=4 346 B14R1.123 CCCNCCSCc1ccccc1 34a_100000189534_100000210303 [1,0,0,0,0,0|3,0,0]=4 347 B14R1.123 CCCNCCSCc1ccccc1 7a_100000189534_100000210303 [1,0,0,0,0,0|3,0,0]=4 348 B14R1.123 CCCNN=CCCc1ccccc1 4a_100000740057_100000198083 [1,0,0,0,0,0|3,0,0]=4 349 B14R1.123 CCCOCCC#Cc1ccccc1 34a_100000760064_100000210303 [1,0,0,0,0,0|1,0,2]=4 350 B14R1.123 CCCOCCC#Cc1ccccc1 7a_100000760064_100000210303 [1,0,0,0,0,0|1,0,2]=4 351 B14R1.123 CCCOCCCCc1ccccc1 34a_100000210258_100000701786 [1,0,0,0,0,0|1,0,0]=2 352 B14R1.123 CCCOCCCCc1ccccc1 34a_100000703073_100000210303 [1,0,0,0,0,0|1,0,0]=2 353 B14R1.123 CCCOCCCCc1ccccc1 7a_100000703073_100000210303 [1,0,0,0,0,0|1,0,0]=2 354 B14R1.123 CCCOCCCCc1ccccn1 34a_100012186994_100000210303 [1,0,0,0,0,0|2,0,0]=3 355 B14R1.123 CCCOCCCCc1cccnc1 34a_100012039607_100000210303 [1,0,0,0,0,0|2,0,0]=3 356 B14R1.123 CCCOCCCCc1cccnc1 7a_100012039607_100000210303 [1,0,0,0,0,0|2,0,0]=3 357 B14R1.123 CCCOCCCCc1ccncc1 34a_100011787716_100000210303 [1,0,0,0,0,0|2,0,0]=3 358 B14R1.123 CCCOCCCNc1ccccc1 34a_100000212590_100000210303 [1,0,0,0,0,0|2,0,0]=3 359 B14R1.123 CCCOCCCOc1ccccc1 34a_100000210258_100000199009 [1,0,0,0,0,0|2,0,0]=3 360 B14R1.123 CCCOCCCOc1ccccc1 34a_100011215863_100000210303 [1,0,0,0,0,0|2,0,0]=3 361 B14R1.123 CCCOCCCOc1ccccc1 7a_100011215863_100000210303 [1,0,0,0,0,0|2,0,0]=3 362 B14R1.123 CCCOCCCSc1ccccc1 34a_100000210258_200011203293 [1,0,0,0,0,0|2,0,0]=3 363 B14R1.123 CCCOCCNCc1ccccc1 207a_100161115042_100015611070 [1,0,0,0,0,0|2,0,0]=3 364 B14R1.123 CCCOCCNCc1ccccc1 2230a_100015324214_100011215938 [1,0,0,0,0,0|2,0,0]=3 365 B14R1.123 CCCOCCNCc1ccccc1 2230a_100161115042_100015291786 [1,0,0,0,0,0|2,0,0]=3 366 B14R1.123 CCCOCCNCc1ccccc1 270004a_100161115042_100015611070 [1,0,0,0,0,0|2,0,0]=3 367 B14R1.123 CCCOCCNCc1ccccc1 34a_100000180844_100000210303 [1,0,0,0,0,0|2,0,0]=3 368 B14R1.123 CCCOCCNCc1ccccc1 34a_100015324214_100011215938 [1,0,0,0,0,0|2,0,0]=3 369 B14R1.123 CCCOCCNCc1ccccc1 34a_100161115042_100015291786 [1,0,0,0,0,0|2,0,0]=3 370 B14R1.123 CCCOCCNCc1ccccn1 207a_100161115042_100000209966 [1,0,0,0,0,0|3,0,0]=4 371 B14R1.123 CCCOCCNCc1ccccn1 2230a_100161115042_100000721315 [1,0,0,0,0,0|3,0,0]=4 372 B14R1.123 CCCOCCNCc1ccccn1 270004a_100161115042_100000209966 [1,0,0,0,0,0|3,0,0]=4 373 B14R1.123 CCCOCCNCc1ccccn1 34a_100161115042_100000721315 [1,0,0,0,0,0|3,0,0]=4 374 B14R1.123 CCCOCCNCc1cccnc1 207a_100161115042_100000209961 [1,0,0,0,0,0|3,0,0]=4 375 B14R1.123 CCCOCCNCc1cccnc1 2230a_100161115042_100000741622 [1,0,0,0,0,0|3,0,0]=4 376 B14R1.123 CCCOCCNCc1cccnc1 270004a_100161115042_100000209961 [1,0,0,0,0,0|3,0,0]=4 377 B14R1.123 CCCOCCNCc1cccnc1 34a_100161115042_100000733263 [1,0,0,0,0,0|3,0,0]=4 378 B14R1.123 CCCOCCNCc1ccncc1 207a_100161115042_100000186114 [1,0,0,0,0,0|3,0,0]=4 379 B14R1.123 CCCOCCNCc1ccncc1 2230a_100161115042_100015193705 [1,0,0,0,0,0|3,0,0]=4 380 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210258_100000234347 [1,0,0,0,0,0|2,0,0]=3 381 B14R1.123 CCCOCCOCc1ccccc1 34a_100000210790_100011215938 [1,0,0,0,0,0|2,0,0]=3 382 B14R1.123 CCCOCCOCc1ccccc1 34a_100000752267_100015291786 [1,0,0,0,0,0|2,0,0]=3 383 B14R1.123 CCCOCCOCc1ccccc1 34a_100000759325_100000210303 [1,0,0,0,0,0|2,0,0]=3 384 B14R1.123 CCCOCCOCc1ccccc1 7a_100000210790_100011215938 [1,0,0,0,0,0|2,0,0]=3 385 B14R1.123 CCCOCCOCc1ccccc1 7a_100000752267_100000211182 [1,0,0,0,0,0|2,0,0]=3 386 B14R1.123 CCCOCCOCc1ccccc1 7a_100000759325_100000210303 [1,0,0,0,0,0|2,0,0]=3 387 B14R1.123 CCCOCCOCc1ccccn1 34a_100000752267_100000721315 [1,0,0,0,0,0|3,0,0]=4 388 B14R1.123 CCCOCCOCc1ccccn1 7a_100000752267_100000721315 [1,0,0,0,0,0|3,0,0]=4 389 B14R1.123 CCCOCCOCc1cccnc1 34a_100000752267_100000733263 [1,0,0,0,0,0|3,0,0]=4 390 B14R1.123 CCCOCCOCc1cccnc1 7a_100000752267_100000741622 [1,0,0,0,0,0|3,0,0]=4 391 B14R1.123 CCCOCCOCc1ccncc1 7a_100000752267_100015193705 [1,0,0,0,0,0|3,0,0]=4 392 B14R1.123 CCCOCCSCc1ccccc1 34a_100000210258_200011297719 [1,0,0,0,0,0|2,0,0]=3 393 B14R1.123 CCCOCCSCc1ccccc1 34a_100011205989_100000210303 [1,0,0,0,0,0|2,0,0]=3 394 B14R1.123 CCCOCCSCc1ccccc1 62a_100000211182_100011215938 [1,0,0,0,0,0|2,0,0]=3 395 B14R1.123 CCCOCCSCc1ccccc1 62a_100011215938_100015291786 [1,0,0,0,0,0|2,0,0]=3 396 B14R1.123 CCCOCCSCc1ccccc1 7a_100011205989_100000210303 [1,0,0,0,0,0|2,0,0]=3 397 B14R1.123 CCCOCCSCc1ccccn1 62a_100000721315_100011215938 [1,0,0,0,0,0|3,0,0]=4 398 B14R1.123 CCCOCCSCc1ccccn1 62a_100011215938_100000721315 [1,0,0,0,0,0|3,0,0]=4 399 B14R1.123 CCCOCCSCc1cccnc1 62a_100000741622_100011215938 [1,0,0,0,0,0|3,0,0]=4 400 B14R1.123 CCCOCCSCc1cccnc1 62a_100011215938_100000741622 [1,0,0,0,0,0|3,0,0]=4 401 B14R1.123 CCCOCCSCc1ccncc1 62a_100011215938_100015193705 [1,0,0,0,0,0|3,0,0]=4 402 B14R1.123 CCCOCCSCc1ccncc1 62a_100015193705_100011215938 [1,0,0,0,0,0|3,0,0]=4 403 B14R1.123 CCCSCCCCc1ccccc1 62a_100000210303_100000701786 [1,0,0,0,0,0|1,1,0]=3 404 B14R1.123 CCCSCCCCc1ccccc1 62a_100000701786_100000210303 [1,0,0,0,0,0|1,1,0]=3 405 B14R1.123 CCCSCCCCc1ccncc1 62a_100000210303_100020630000 [1,0,0,0,0,0|2,1,0]=4 406 B14R1.123 CCCSCCCCc1ccncc1 62a_100020630000_100000210303 [1,0,0,0,0,0|2,1,0]=4 407 B14R1.123 CCCSCCCOc1ccccc1 62a_100000199009_100000210303 [1,0,0,0,0,0|2,1,0]=4 408 B14R1.123 CCCSCCCOc1ccccc1 62a_100000210303_100000199009 [1,0,0,0,0,0|2,1,0]=4 409 B14R1.123 CCCSCCCSc1ccccc1 62a_100000210303_200011203293 [1,0,0,0,0,0|2,1,0]=4 410 B14R1.123 CCCSCCCSc1ccccc1 62a_200011203293_100000210303 [1,0,0,0,0,0|2,1,0]=4 411 B14R1.123 CCCSCCNCc1ccccc1 207a_100020603323_100015611070 [1,0,0,0,0,0|2,1,0]=4 412 B14R1.123 CCCSCCNCc1ccccc1 2230a_100020603323_100015291786 [1,0,0,0,0,0|2,1,0]=4 413 B14R1.123 CCCSCCNCc1ccccc1 270004a_100020603323_100015611070 [1,0,0,0,0,0|2,1,0]=4 414 B14R1.123 CCCSCCOCc1ccccc1 34a_200000230433_100015291786 [1,0,0,0,0,0|2,1,0]=4 415 B14R1.123 CCCSCCOCc1ccccc1 62a_100000210303_100000234347 [1,0,0,0,0,0|2,1,0]=4 416 B14R1.123 CCCSCCOCc1ccccc1 62a_100000234347_100000210303 [1,0,0,0,0,0|2,1,0]=4 417 B14R1.123 CCCSCCOCc1ccccc1 7a_200000230433_100000211182 [1,0,0,0,0,0|2,1,0]=4 418 B14R1.123 CCCSCCSCc1ccccc1 62a_100000210303_200011297719 [1,0,0,0,0,0|2,1,0]=4 419 B14R1.123 CCCSCCSCc1ccccc1 62a_200011297719_100000210303 [1,0,0,0,0,0|2,1,0]=4 420 B14R1.123 CCNCCCCCc1ccccc1 2230a_100000750932_100000210202 [1,0,0,0,0,0|3,0,0]=4 421 B14R1.123 CCNCCCCCc1ccccc1 2230a_100015525214_200011217138 [1,0,0,0,0,0|3,0,0]=4 422 B14R1.123 CCNCCCCCc1ccccc1 34a_100000750932_100000210202 [1,0,0,0,0,0|3,0,0]=4 423 B14R1.123 CCOCCCCCc1ccccc1 34a_100121572206_200011217138 [1,0,0,0,0,0|3,0,0]=4 424 B14R1.123 CCOCCCCCc1ccccc1 34a_200011219639_100000210202 [1,0,0,0,0,0|3,0,0]=4 425 B14R1.123 CCOCCCCCc1ccccc1 7a_200011219639_100000210202 [1,0,0,0,0,0|3,0,0]=4 426 B14R1.123 CCOCCNCCc1ccccc1 2230a_100000106460_100011215890 [1,0,0,0,0,0|3,0,0]=4 427 B14R1.123 CCOCCNCCc1ccccc1 2230a_102516460346_100000765856 [1,0,0,0,0,0|3,0,0]=4 428 B14R1.123 CCOCCNCCc1ccccc1 34a_100000106460_100000210147 [1,0,0,0,0,0|3,0,0]=4 429 B14R1.123 CCOCCNCCc1ccccc1 34a_102516460346_100000765856 [1,0,0,0,0,0|3,0,0]=4 430 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210136_100000765856 [1,0,0,0,0,0|2,0,0]=3 431 B14R1.123 CCOCCOCCc1ccccc1 34a_100000210268_100000210147 [1,0,0,0,0,0|2,0,0]=3 432 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210136_100000765856 [1,0,0,0,0,0|2,0,0]=3 433 B14R1.123 CCOCCOCCc1ccccc1 7a_100000210268_100011215890 [1,0,0,0,0,0|2,0,0]=3 434 B14R1.123 CCOCCOCCc1ccccn1 34a_100000210271_100000210147 [1,0,0,0,0,0|3,0,0]=4 435 B14R1.123 CCOCCOCCc1ccccn1 7a_100000210136_100015183660 [1,0,0,0,0,0|3,0,0]=4 436 B14R1.123 CCOCCOCCc1cccnc1 34a_100011217484_100000210147 [1,0,0,0,0,0|3,0,0]=4 437 B14R1.123 CCOCCOCCc1cccnc1 7a_100000210136_200011713674 [1,0,0,0,0,0|3,0,0]=4 438 B14R1.123 CCOCCOCCc1ccncc1 34a_100011216225_100000210147 [1,0,0,0,0,0|3,0,0]=4 439 B14R1.123 CCOCCOCCc1ccncc1 7a_100000210136_100000723409 [1,0,0,0,0,0|3,0,0]=4 440 B14R1.123 CCOCCSCCc1ccccc1 62a_100000210147_100011218657 [1,0,0,0,0,0|2,1,0]=4 441 B14R1.123 CCOCCSCCc1ccccc1 62a_100000765856_100011215890 [1,0,0,0,0,0|2,1,0]=4 442 B14R1.123 CCSCCCCCc1ccccc1 62a_100000210202_200011217138 [1,0,0,0,0,0|3,0,0]=4 443 B14R1.123 CCSCCCCCc1ccccc1 62a_200011217138_100000210202 [1,0,0,0,0,0|3,0,0]=4 444 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106460_100000757381 [1,0,0,0,0,0|3,0,0]=4 445 B14R1.123 CCSCCNCCc1ccccc1 2230a_100000106463_100000765856 [1,0,0,0,0,0|3,0,0]=4 446 B14R1.123 CCSCCNCCc1ccccc1 34a_100000106460_100000757381 [1,0,0,0,0,0|3,0,0]=4 447 B14R1.123 CCSCCOCCc1ccccc1 34a_100000210268_100000757381 [1,0,0,0,0,0|2,0,0]=3 448 B14R1.123 CCSCCOCCc1ccccc1 34a_100000212035_100000765856 [1,0,0,0,0,0|2,0,0]=3 449 B14R1.123 CCSCCOCCc1ccccc1 7a_100000210268_100000757381 [1,0,0,0,0,0|2,0,0]=3 450 B14R1.123 CCSCCOCCc1ccccc1 7a_100000212035_100000765856 [1,0,0,0,0,0|2,0,0]=3 451 B14R1.123 CCSCCOCCc1ccccn1 34a_100000210271_100000757381 [1,0,0,0,0,0|3,0,0]=4 452 B14R1.123 CCSCCOCCc1ccccn1 7a_100000212035_100015183660 [1,0,0,0,0,0|3,0,0]=4 453 B14R1.123 CCSCCOCCc1cccnc1 34a_100011217484_100000757381 [1,0,0,0,0,0|3,0,0]=4 454 B14R1.123 CCSCCOCCc1cccnc1 7a_100000212035_200011713674 [1,0,0,0,0,0|3,0,0]=4 455 B14R1.123 CCSCCOCCc1ccncc1 34a_100011216225_100000757381 [1,0,0,0,0,0|3,0,0]=4 456 B14R1.123 CCSCCOCCc1ccncc1 7a_100000212035_100000723409 [1,0,0,0,0,0|3,0,0]=4 457 B14R1.123 CCSCCSCCc1ccccc1 62a_100000757381_100011218657 [1,0,0,0,0,0|2,1,0]=4 458 B14R1.123 CCSCCSCCc1ccccc1 62a_100000765856_100000757381 [1,0,0,0,0,0|2,1,0]=4 459 B14R1.123 CNCCCCCCc1ccccc1 2230a_106832991635_100011218729 [1,0,0,0,0,0|3,0,0]=4 460 B14R1.123 CNCCCCCCc1ccccc1 34a_100102657272_100011218729 [1,0,0,0,0,0|3,0,0]=4 461 B14R1.123 CNCCCCCCc1ccccc1 7a_106832991635_100011218729 [1,0,0,0,0,0|3,0,0]=4 462 B14R1.123 CNCCCOCCc1ccccc1 34a_100000213112_100000765856 [1,0,0,0,0,0|2,0,0]=3 463 B14R1.123 COCCCCCCc1ccccc1 34a_100011215581_200000210301 [1,0,0,0,0,0|3,0,0]=4 464 B14R1.123 COCCCCCCc1ccccc1 34a_100138415774_100011218729 [1,0,0,0,0,0|3,0,0]=4 465 B14R1.123 COCCCCCCc1ccccc1 7a_100011215581_200000210301 [1,0,0,0,0,0|3,0,0]=4 466 B14R1.123 COCCCNCCc1ccccc1 2230a_100000106460_100000740836 [1,0,0,0,0,0|3,0,0]=4 467 B14R1.123 COCCCNCCc1ccccc1 34a_100000106460_100000740836 [1,0,0,0,0,0|3,0,0]=4 468 B14R1.123 COCCCNCCc1ccccc1 34a_100150723488_100000765856 [1,0,0,0,0,0|3,0,0]=4 469 B14R1.123 COCCCOCCc1ccccc1 34a_100000210268_100000740836 [1,0,0,0,0,0|2,0,0]=3 470 B14R1.123 COCCCOCCc1ccccc1 34a_100000740835_100000765856 [1,0,0,0,0,0|2,0,0]=3 471 B14R1.123 COCCCOCCc1ccccc1 7a_100000210268_100000740836 [1,0,0,0,0,0|2,0,0]=3 472 B14R1.123 COCCCOCCc1ccccn1 34a_100000210271_100000740836 [1,0,0,0,0,0|3,0,0]=4 473 B14R1.123 COCCCOCCc1cccnc1 34a_100011217484_100000740836 [1,0,0,0,0,0|3,0,0]=4 474 B14R1.123 COCCCOCCc1ccncc1 34a_100011216225_100000740836 [1,0,0,0,0,0|3,0,0]=4 475 B14R1.123 COCCCSCCc1ccccc1 62a_100000709357_100011218657 [1,0,0,0,0,0|2,1,0]=4 476 B14R1.123 COCCCSCCc1ccccc1 62a_100000765856_100000709357 [1,0,0,0,0,0|2,1,0]=4 477 B14R1.123 COCNCCCCc1ccccc1 2230a_100015280158_100000766300 [1,0,0,0,0,0|3,0,0]=4 478 B14R1.123 COCSCCCCc1ccccc1 62a_100000701786_100000766300 [1,0,0,0,0,0|2,1,0]=4 479 B14R1.123 COCSCCCCc1ccccc1 62a_100000766300_100000701786 [1,0,0,0,0,0|2,1,0]=4 480 B14R1.123 CSCCCCCCc1ccccc1 62a_100011218729_200000210301 [1,0,0,0,0,0|3,0,0]=4 481 B14R1.123 CSCCCCCCc1ccccc1 62a_200000210301_100011218729 [1,0,0,0,0,0|3,0,0]=4 482 B14R1.123 CSCCCNCCc1ccccc1 2230a_100000749238_100000765856 [1,0,0,0,0,0|3,0,0]=4 483 B14R1.123 CSCCCOCCc1ccccc1 34a_100000690336_100000765856 [1,0,0,0,0,0|2,0,0]=3 484 B14R1.123 CSCCCOCCc1ccccc1 7a_100000690336_100000765856 [1,0,0,0,0,0|2,0,0]=3 485 B14R1.123 CSCCCOCCc1ccccn1 7a_100000690336_100015183660 [1,0,0,0,0,0|3,0,0]=4 486 B14R1.123 CSCCCOCCc1cccnc1 7a_100000690336_200011713674 [1,0,0,0,0,0|3,0,0]=4 487 B14R1.123 CSCCCOCCc1ccncc1 7a_100000690336_100000723409 [1,0,0,0,0,0|3,0,0]=4 488 B14R1.123 CSCNCCCCc1ccccc1 2230a_100015280158_100011218213 [1,0,0,0,0,0|3,0,0]=4 489 B14R1.123 CSCNCCCCc1ccccc1 34a_100015280158_100011218213 [1,0,0,0,0,0|3,0,0]=4 490 B14R1.123 CSCOCCCCc1ccccc1 34a_100000703073_100011218213 [1,0,0,0,0,0|2,0,0]=3 491 B14R1.123 CSCOCCCCc1ccccn1 34a_100012186994_100011218213 [1,0,0,0,0,0|3,0,0]=4 492 B14R1.123 CSCOCCCCc1cccnc1 34a_100012039607_100011218213 [1,0,0,0,0,0|3,0,0]=4 493 B14R1.123 CSCOCCCCc1ccncc1 34a_100011787716_100011218213 [1,0,0,0,0,0|3,0,0]=4 494 B14R1.123 CSCOCCCNc1ccccc1 34a_100000212590_100011218213 [1,0,0,0,0,0|3,0,0]=4 495 B14R1.123 CSCOCCCOc1ccccc1 34a_100011215863_100011218213 [1,0,0,0,0,0|3,0,0]=4 496 B14R1.123 CSCOCCNCc1ccccc1 34a_100000180844_100011218213 [1,0,0,0,0,0|3,0,0]=4 497 B14R1.123 CSCOCCOCc1ccccc1 34a_100000759325_100011218213 [1,0,0,0,0,0|3,0,0]=4 498 B14R1.123 CSCOCCSCc1ccccc1 34a_100011205989_100011218213 [1,0,0,0,0,0|3,0,0]=4 499 B14R1.123 CSCSCCCCc1ccccc1 62a_100000701786_100011218213 [1,0,0,0,0,0|2,1,0]=4 500 B14R1.123 CSCSCCCCc1ccccc1 62a_100011218213_100000701786 [1,0,0,0,0,0|2,1,0]=4 501 B14R1.123 ClCC#CCOCCc1ccccc1 34a_200000047223_100000765856 [1,0,0,0,0,0|2,0,1]=4 502 B14R1.123 ClCCCCOCCc1ccccc1 34a_100000210776_100000765856 [1,0,0,0,0,0|2,0,0]=3 503 B14R1.123 ClCCCCOCCc1ccccc1 7a_100000210776_100000765856 [1,0,0,0,0,0|2,0,0]=3 504 B14R1.123 ClCCCCOCCc1ccccn1 7a_100000210776_100015183660 [1,0,0,0,0,0|3,0,0]=4 505 B14R1.123 ClCCCCOCCc1cccnc1 7a_100000210776_200011713674 [1,0,0,0,0,0|3,0,0]=4 506 B14R1.123 ClCCCCOCCc1ccncc1 7a_100000210776_100000723409 [1,0,0,0,0,0|3,0,0]=4 507 B14R1.123 ClCCOCCOCc1ccccc1 34a_100011215305_100015291786 [1,0,0,0,0,0|3,0,0]=4 508 B14R1.123 ClCCOCCOCc1ccccc1 7a_100011215305_100000211182 [1,0,0,0,0,0|3,0,0]=4 509 B14R1.123 FCCCCNCCc1ccccc1 2230a_100000106460_100000729493 [1,0,0,0,0,0|3,0,0]=4 510 B14R1.123 FCCCCNCCc1ccccc1 34a_100000106460_100000729493 [1,0,0,0,0,0|3,0,0]=4 511 B14R1.123 FCCCCOCCc1ccccc1 34a_100000210268_100000729493 [1,0,0,0,0,0|2,0,0]=3 512 B14R1.123 FCCCCOCCc1ccccc1 34a_100011995726_100000765856 [1,0,0,0,0,0|2,0,0]=3 513 B14R1.123 FCCCCOCCc1ccccc1 7a_100000210268_100000729493 [1,0,0,0,0,0|2,0,0]=3 514 B14R1.123 FCCCCOCCc1ccccc1 7a_100011995726_100000765856 [1,0,0,0,0,0|2,0,0]=3 515 B14R1.123 FCCCCOCCc1ccccn1 34a_100000210271_100000729493 [1,0,0,0,0,0|3,0,0]=4 516 B14R1.123 FCCCCOCCc1ccccn1 7a_100011995726_100015183660 [1,0,0,0,0,0|3,0,0]=4 517 B14R1.123 FCCCCOCCc1cccnc1 34a_100011217484_100000729493 [1,0,0,0,0,0|3,0,0]=4 518 B14R1.123 FCCCCOCCc1cccnc1 7a_100011995726_200011713674 [1,0,0,0,0,0|3,0,0]=4 519 B14R1.123 FCCCCOCCc1ccncc1 34a_100011216225_100000729493 [1,0,0,0,0,0|3,0,0]=4 520 B14R1.123 FCCCCOCCc1ccncc1 7a_100011995726_100000723409 [1,0,0,0,0,0|3,0,0]=4 521 B14R1.123 FCCCCSCCc1ccccc1 62a_100000729493_100011218657 [1,0,0,0,0,0|2,1,0]=4 522 B14R1.123 FCCCCSCCc1ccccc1 62a_100000765856_100000729493 [1,0,0,0,0,0|2,1,0]=4 523 B14R1.123 FCCNCCCCc1ccccc1 2230a_100015280158_100011217306 [1,0,0,0,0,0|3,0,0]=4 524 B14R1.123 FCCNCCCCc1ccccc1 34a_100000724931_100000701786 [1,0,0,0,0,0|3,0,0]=4 525 B14R1.123 FCCNCCCCc1ccccc1 34a_100015280158_100011217306 [1,0,0,0,0,0|3,0,0]=4 526 B14R1.123 FCCOCCCCc1ccccc1 34a_100000703073_100011217306 [1,0,0,0,0,0|2,0,0]=3 527 B14R1.123 FCCOCCCCc1ccccc1 7a_100000703073_100011217306 [1,0,0,0,0,0|2,0,0]=3 528 B14R1.123 FCCOCCCCc1ccccn1 34a_100012186994_100011217306 [1,0,0,0,0,0|3,0,0]=4 529 B14R1.123 FCCOCCCCc1cccnc1 34a_100012039607_100011217306 [1,0,0,0,0,0|3,0,0]=4 530 B14R1.123 FCCOCCCCc1cccnc1 7a_100012039607_100011217306 [1,0,0,0,0,0|3,0,0]=4 531 B14R1.123 FCCOCCCCc1ccncc1 34a_100011787716_100011217306 [1,0,0,0,0,0|3,0,0]=4 532 B14R1.123 FCCOCCCNc1ccccc1 34a_100000212590_100011217306 [1,0,0,0,0,0|3,0,0]=4 533 B14R1.123 FCCOCCCOc1ccccc1 34a_100011215863_100011217306 [1,0,0,0,0,0|3,0,0]=4 534 B14R1.123 FCCOCCCOc1ccccc1 7a_100011215863_100011217306 [1,0,0,0,0,0|3,0,0]=4 535 B14R1.123 FCCOCCNCc1ccccc1 34a_100000180844_100011217306 [1,0,0,0,0,0|3,0,0]=4 536 B14R1.123 FCCOCCOCc1ccccc1 34a_100000759325_100011217306 [1,0,0,0,0,0|3,0,0]=4 537 B14R1.123 FCCOCCOCc1ccccc1 34a_200015357709_100015291786 [1,0,0,0,0,0|3,0,0]=4 538 B14R1.123 FCCOCCOCc1ccccc1 7a_100000759325_100011217306 [1,0,0,0,0,0|3,0,0]=4 539 B14R1.123 FCCOCCOCc1ccccc1 7a_200015357709_100000211182 [1,0,0,0,0,0|3,0,0]=4 540 B14R1.123 FCCOCCSCc1ccccc1 34a_100011205989_100011217306 [1,0,0,0,0,0|3,0,0]=4 541 B14R1.123 FCCOCCSCc1ccccc1 7a_100011205989_100011217306 [1,0,0,0,0,0|3,0,0]=4 542 B14R1.123 FCCSCCCCc1ccccc1 62a_100000701786_100011217306 [1,0,0,0,0,0|2,1,0]=4 543 B14R1.123 FCCSCCCCc1ccccc1 62a_100011217306_100000701786 [1,0,0,0,0,0|2,1,0]=4 544 B14R1.123 ICCCCOCCc1ccccc1 34a_200012148704_100000765856 [1,0,0,0,0,0|2,0,0]=3 545 B14R1.123 ICCOCCOCc1ccccc1 34a_100012149058_100015291786 [1,0,0,0,0,0|3,0,0]=4 546 B14R1.123 ICCOCCOCc1ccccc1 7a_100012149058_100000211182 [1,0,0,0,0,0|3,0,0]=4 547 B14R1.123 N#CCCCOCCc1ccccc1 7a_100000210268_100000687738 [1,0,0,0,0,0|2,0,1]=4 548 B14R1.123 N#CCOCCCCc1ccccc1 7a_100000703073_100011215382 [1,0,0,0,0,0|2,0,1]=4 549 B14R1.123 NCCCCOCCc1ccccc1 34a_100000750430_100000765856 [1,0,0,0,0,0|2,0,0]=3 550 B14R1.123 NCCOCCCCc1ccccc1 34a_100000210304_100000701786 [1,0,0,0,0,0|2,0,0]=3 551 B14R1.123 NCCOCCCOc1ccccc1 34a_100000210304_100000199009 [1,0,0,0,0,0|3,0,0]=4 552 B14R1.123 NCCOCCCSc1ccccc1 34a_100000210304_200011203293 [1,0,0,0,0,0|3,0,0]=4 553 B14R1.123 NCCOCCOCc1ccccc1 34a_100000210304_100000234347 [1,0,0,0,0,0|3,0,0]=4 554 B14R1.123 NCCOCCOCc1ccccc1 34a_100000211614_100015291786 [1,0,0,0,0,0|3,0,0]=4 555 B14R1.123 NCCOCCSCc1ccccc1 34a_100000210304_200011297719 [1,0,0,0,0,0|3,0,0]=4 556 B14R1.123 O=CCCCOCCc1ccccc1 7a_100000210268_200011292268 [1,0,0,0,0,0|2,0,1]=4 557 B14R1.123 O=CCOCCCCc1ccccc1 34a_100000703073_200009817547 [1,0,0,0,0,0|2,0,1]=4 558 B14R1.123 O=CCOCCCCc1ccccc1 7a_100000703073_200015260668 [1,0,0,0,0,0|2,0,1]=4 559 B14R1.123 OCC#CCOCCc1ccccc1 34a_100000210268_200000047223 [1,0,0,0,0,0|2,0,1]=4 560 B14R1.123 OCC#CCOCCc1ccccc1 7a_100000210268_200000047223 [1,0,0,0,0,0|2,0,1]=4 561 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000106460_100000210776 [1,0,0,0,0,0|3,0,0]=4 562 B14R1.123 OCCCCNCCc1ccccc1 2230a_100000750430_100000765856 [1,0,0,0,0,0|3,0,0]=4 563 B14R1.123 OCCCCNCCc1ccccc1 34a_100000106460_100011216708 [1,0,0,0,0,0|3,0,0]=4 564 B14R1.123 OCCCCNCCc1ccccc1 34a_100000750430_100000765856 [1,0,0,0,0,0|3,0,0]=4 565 B14R1.123 OCCCCOCCc1ccccc1 34a_100000210268_100011216708 [1,0,0,0,0,0|2,0,0]=3 566 B14R1.123 OCCCCOCCc1ccccc1 7a_100000210268_100000210776 [1,0,0,0,0,0|2,0,0]=3 567 B14R1.123 OCCCCOCCc1ccccn1 34a_100000210271_100011216708 [1,0,0,0,0,0|3,0,0]=4 568 B14R1.123 OCCCCOCCc1cccnc1 34a_100011217484_100011216708 [1,0,0,0,0,0|3,0,0]=4 569 B14R1.123 OCCCCOCCc1ccncc1 34a_100011216225_100011216708 [1,0,0,0,0,0|3,0,0]=4 570 B14R1.123 OCCCCSCCc1ccccc1 62a_100000210776_100011218657 [1,0,0,0,0,0|2,1,0]=4 571 B14R1.123 OCCCCSCCc1ccccc1 62a_100000765856_100000210776 [1,0,0,0,0,0|2,1,0]=4 572 B14R1.123 OCCNCCCCc1ccccc1 2230a_100015280158_100000211926 [1,0,0,0,0,0|3,0,0]=4 573 B14R1.123 OCCNCCCCc1ccccc1 2230a_100016997473_100000701786 [1,0,0,0,0,0|3,0,0]=4 574 B14R1.123 OCCNCCCCc1ccccc1 34a_100015280158_100000211926 [1,0,0,0,0,0|3,0,0]=4 575 B14R1.123 OCCNCCCCc1ccccc1 34a_100016990907_100000701786 [1,0,0,0,0,0|3,0,0]=4 576 B14R1.123 OCCOCCCCc1ccccc1 34a_100000703073_100000211926 [1,0,0,0,0,0|2,0,0]=3 577 B14R1.123 OCCOCCCCc1ccccc1 7a_100000703073_100000211926 [1,0,0,0,0,0|2,0,0]=3 578 B14R1.123 OCCOCCCCc1ccccn1 34a_100012186994_100000211926 [1,0,0,0,0,0|3,0,0]=4 579 B14R1.123 OCCOCCCCc1cccnc1 34a_100012039607_100000211926 [1,0,0,0,0,0|3,0,0]=4 580 B14R1.123 OCCOCCCCc1cccnc1 7a_100012039607_100000211926 [1,0,0,0,0,0|3,0,0]=4 581 B14R1.123 OCCOCCCCc1ccncc1 34a_100011787716_100000211926 [1,0,0,0,0,0|3,0,0]=4 582 B14R1.123 OCCOCCCNc1ccccc1 34a_100000212590_100000211926 [1,0,0,0,0,0|3,0,0]=4 583 B14R1.123 OCCOCCCOc1ccccc1 34a_100011215863_100000211926 [1,0,0,0,0,0|3,0,0]=4 584 B14R1.123 OCCOCCCOc1ccccc1 7a_100011215863_100000211926 [1,0,0,0,0,0|3,0,0]=4 585 B14R1.123 OCCOCCNCc1ccccc1 207a_100000211614_100015611070 [1,0,0,0,0,0|3,0,0]=4 586 B14R1.123 OCCOCCNCc1ccccc1 2230a_100000211614_100015291786 [1,0,0,0,0,0|3,0,0]=4 587 B14R1.123 OCCOCCNCc1ccccc1 2230a_100015324214_100011215305 [1,0,0,0,0,0|3,0,0]=4 588 B14R1.123 OCCOCCNCc1ccccc1 270004a_100000211614_100015611070 [1,0,0,0,0,0|3,0,0]=4 589 B14R1.123 OCCOCCNCc1ccccc1 34a_100000180844_100000211926 [1,0,0,0,0,0|3,0,0]=4 590 B14R1.123 OCCOCCNCc1ccccc1 34a_100000211614_100015291786 [1,0,0,0,0,0|3,0,0]=4 591 B14R1.123 OCCOCCNCc1ccccc1 34a_100015324214_100000692535 [1,0,0,0,0,0|3,0,0]=4 592 B14R1.123 OCCOCCOCc1ccccc1 34a_100000210790_100000692535 [1,0,0,0,0,0|3,0,0]=4 593 B14R1.123 OCCOCCOCc1ccccc1 34a_100000759325_100000211926 [1,0,0,0,0,0|3,0,0]=4 594 B14R1.123 OCCOCCOCc1ccccc1 7a_100000210790_100011215305 [1,0,0,0,0,0|3,0,0]=4 595 B14R1.123 OCCOCCOCc1ccccc1 7a_100000759325_100000211926 [1,0,0,0,0,0|3,0,0]=4 596 B14R1.123 OCCOCCSCc1ccccc1 34a_100011205989_100000211926 [1,0,0,0,0,0|3,0,0]=4 597 B14R1.123 OCCOCCSCc1ccccc1 62a_100000211182_100011215305 [1,0,0,0,0,0|3,0,0]=4 598 B14R1.123 OCCOCCSCc1ccccc1 62a_100011215305_100015291786 [1,0,0,0,0,0|3,0,0]=4 599 B14R1.123 OCCOCCSCc1ccccc1 7a_100011205989_100000211926 [1,0,0,0,0,0|3,0,0]=4 600 B14R1.123 OCCSCCCCc1ccccc1 62a_100000211926_100000701786 [1,0,0,0,0,0|2,1,0]=4 601 B14R1.123 OCCSCCCCc1ccccc1 62a_100000701786_100000211926 [1,0,0,0,0,0|2,1,0]=4 602 B14R1.123 [13CH3]OCCCCCCc1ccccc1 34a_100011215581_200025704644 [1,0,0,0,0,0|3,0,0]=4 603 B14R1.123 [13CH3]OCCCCCCc1ccccc1 7a_100011215581_200025704644 [1,0,0,0,0,0|3,0,0]=4 604 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_100011218729_200025704644 [1,0,0,0,0,0|3,0,0]=4 605 B14R1.123 [13CH3]SCCCCCCc1ccccc1 62a_200025704644_100011218729 [1,0,0,0,0,0|3,0,0]=4 606 B14R1.520 C#CCC(C)OCCc1ccccc1 34a_100000685586_100000765856 [1,0,0,0,0,0|0,0,2]=3 607 B14R1.520 C#CCC(C)OCCc1ccccc1 7a_100000685586_100000765856 [1,0,0,0,0,0|0,0,2]=3 608 B14R1.520 C#CCC(C)OCCc1ccccn1 7a_100000685586_100015183660 [1,0,0,0,0,0|1,0,2]=4 609 B14R1.520 C#CCC(C)OCCc1cccnc1 7a_100000685586_200011713674 [1,0,0,0,0,0|1,0,2]=4 610 B14R1.520 C#CCC(C)OCCc1ccncc1 7a_100000685586_100000723409 [1,0,0,0,0,0|1,0,2]=4 611 B14R1.520 C/C=C/C(C)OCCc1ccccc1 34a_200102604097_100000765856 [1,0,0,0,0,0|0,0,2]=3 612 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 34a_100000731007_100000765856 [1,0,0,0,0,0|0,0,2]=3 613 B14R1.520 C=CC[C@@H](C)OCCc1ccccc1 7a_100000731007_100000765856 [1,0,0,0,0,0|0,0,2]=3 614 B14R1.520 C=CC[C@@H](C)OCCc1ccccn1 7a_100000731007_100015183660 [1,0,0,0,0,0|1,0,2]=4 615 B14R1.520 C=CC[C@@H](C)OCCc1cccnc1 7a_100000731007_200011713674 [1,0,0,0,0,0|1,0,2]=4 616 B14R1.520 C=CC[C@@H](C)OCCc1ccncc1 7a_100000731007_100000723409 [1,0,0,0,0,0|1,0,2]=4 617 B14R1.520 CC#CC(C)OCCc1ccccc1 34a_100011216543_100000765856 [1,0,0,0,0,0|0,0,2]=3 618 B14R1.520 CC(CC#N)NCCc1ccccc1 2230a_100000106460_100009813641 [1,0,0,0,0,0|2,0,1]=4 619 B14R1.520 CC(CC#N)OCCc1ccccc1 7a_100000210268_100009813641 [1,0,0,0,0,0|1,0,1]=3 620 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100000765856_100009813641 [1,0,0,0,0,0|1,1,1]=4 621 B14R1.520 CC(CC#N)SCCc1ccccc1 62a_100009813641_100011218657 [1,0,0,0,0,0|1,1,1]=4 622 B14R1.520 CC(CCBr)OCCc1ccccc1 34a_100012276601_100000765856 [1,0,0,0,0,0|1,0,0]=2 623 B14R1.520 CC(CCCc1ccccc1)SCF 62a_100015361967_200010759516 [1,0,0,0,0,0|2,1,0]=4 624 B14R1.520 CC(CCCc1ccccc1)SCF 62a_200010759516_100015361967 [1,0,0,0,0,0|2,1,0]=4 625 B14R1.520 CC(CCN)COCc1ccccc1 34a_106354213184_100015291786 [1,0,0,0,0,0|3,0,0]=4 626 B14R1.520 CC(CCO)NCCc1ccccc1 2230a_100000106460_100009893172 [1,0,0,0,0,0|2,0,0]=3 627 B14R1.520 CC(CCO)NCCc1ccccc1 34a_100000106460_100009893172 [1,0,0,0,0,0|2,0,0]=3 628 B14R1.520 CC(CCO)NCCc1cccnc1 2230a_100000736294_100009893172 [1,0,0,0,0,0|3,0,0]=4 629 B14R1.520 CC(CCO)OCCc1ccccc1 34a_100000210268_100009893172 [1,0,0,0,0,0|1,0,0]=2 630 B14R1.520 CC(CCO)OCCc1ccccc1 7a_100000210268_100009893172 [1,0,0,0,0,0|1,0,0]=2 631 B14R1.520 CC(CCO)OCCc1ccccn1 34a_100000210271_100009893172 [1,0,0,0,0,0|2,0,0]=3 632 B14R1.520 CC(CCO)OCCc1cccnc1 34a_100011217484_100009893172 [1,0,0,0,0,0|2,0,0]=3 633 B14R1.520 CC(CCO)OCCc1ccncc1 34a_100011216225_100009893172 [1,0,0,0,0,0|2,0,0]=3 634 B14R1.520 CC(CCO)OCCc1cnccn1 34a_100011349526_100009893172 [1,0,0,0,0,0|3,0,0]=4 635 B14R1.520 CC(CCO)OCCc1cncnc1 34a_100011709255_100009893172 [1,0,0,0,0,0|3,0,0]=4 636 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100000765856_100009893172 [1,0,0,0,0,0|1,1,0]=3 637 B14R1.520 CC(CCO)SCCc1ccccc1 62a_100009893172_100011218657 [1,0,0,0,0,0|1,1,0]=3 638 B14R1.520 CC(CCO)SCCc1ccccn1 62a_100009893172_100015183660 [1,0,0,0,0,0|2,1,0]=4 639 B14R1.520 CC(CCO)SCCc1ccccn1 62a_100015183660_100009893172 [1,0,0,0,0,0|2,1,0]=4 640 B14R1.520 CC(CCO)SCCc1cccnc1 62a_100009893172_200011713674 [1,0,0,0,0,0|2,1,0]=4 641 B14R1.520 CC(CCO)SCCc1cccnc1 62a_200011713674_100009893172 [1,0,0,0,0,0|2,1,0]=4 642 B14R1.520 CC(CCO)SCCc1ccncc1 62a_100000723409_100009893172 [1,0,0,0,0,0|2,1,0]=4 643 B14R1.520 CC(CCO)SCCc1ccncc1 62a_100009893172_100000723409 [1,0,0,0,0,0|2,1,0]=4 644 B14R1.520 CC(CCO)SCSc1ccccc1 62a_100009893172_100011218342 [1,0,0,0,0,0|2,1,0]=4 645 B14R1.520 CC(CCO)SCSc1ccccc1 62a_100011218342_100009893172 [1,0,0,0,0,0|2,1,0]=4 646 B14R1.520 CC(CNCc1ccccc1)CO[13CH3] 34a_100015184949_200025704644 [1,0,0,0,0,0|3,0,0]=4 647 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_100011216253_200025704644 [1,0,0,0,0,0|3,0,0]=4 648 B14R1.520 CC(COCc1ccccc1)CS[13CH3] 62a_200025704644_100011216253 [1,0,0,0,0,0|3,0,0]=4 649 B14R1.520 CC(COCc1ccccc1)OCF 34a_100000764311_100015361967 [1,0,0,0,0,0|3,0,0]=4 650 B14R1.520 CC(COCc1ccccc1)OCF 7a_100000764311_100015361967 [1,0,0,0,0,0|3,0,0]=4 651 B14R1.520 CC(CO[13CH3])COCc1ccccc1 34a_200011216033_200025704644 [1,0,0,0,0,0|3,0,0]=4 652 B14R1.520 CC(CO[13CH3])COCc1ccccc1 7a_200011216033_200025704644 [1,0,0,0,0,0|3,0,0]=4 653 B14R1.520 CCCC(=NNCc1ccccc1)C 4a_100000007032_100000211909 [1,0,0,0,0,0|2,0,1]=4 654 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100000211992_100000211621 [1,0,0,0,0,0|2,0,1]=4 655 B14R1.520 CCCC(=O)CCCc1ccccc1 1458a_100011207963_100000210303 [1,0,0,0,0,0|2,0,1]=4 656 B14R1.520 CCCC(=O)NCCc1ccccc1 11a_100000106460_100000211992 [1,0,0,0,0,0|2,0,1]=4 657 B14R1.520 CCCC(=O)NCCc1ccccc1 1626a_100000106460_100000211992 [1,0,0,0,0,0|2,0,1]=4 658 B14R1.520 CCCC(=O)NCCc1ccccc1 240690a_100000106460_100000211992 [1,0,0,0,0,0|2,0,1]=4 659 B14R1.520 CCCC(=O)NCCc1ccccc1 527a_100000106460_100000211992 [1,0,0,0,0,0|2,0,1]=4 660 B14R1.520 CCCC(=O)OCNc1ccccc1 34a_100000106764_100000034017 [1,0,0,0,0,0|2,0,1]=4 661 B14R1.520 CCCC(=O)OCOc1ccccc1 34a_100000210340_100000034017 [1,0,0,0,0,0|2,0,1]=4 662 B14R1.520 CCCC(=O)OCSc1ccccc1 62a_100000719477_100000034017 [1,0,0,0,0,0|2,0,1]=4 663 B14R1.520 CCCC(C)C=NNc1ccccc1 4a_100015195140_100000243154 [1,0,0,0,0,0|3,0,0]=4 664 B14R1.520 CCCC(C)CNCc1ccccc1 2230a_100015324214_100011216630 [1,0,0,0,0,0|2,0,0]=3 665 B14R1.520 CCCC(C)CNCc1ccccc1 270004a_100015324214_100000243154 [1,0,0,0,0,0|2,0,0]=3 666 B14R1.520 CCCC(C)CNCc1ccccc1 34a_100015324214_100011216630 [1,0,0,0,0,0|2,0,0]=3 667 B14R1.520 CCCC(C)CNCc1ccccn1 270004a_100000210449_100000243154 [1,0,0,0,0,0|3,0,0]=4 668 B14R1.520 CCCC(C)CNCc1cccnc1 270004a_100000210453_100000243154 [1,0,0,0,0,0|3,0,0]=4 669 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000210790_100011216630 [1,0,0,0,0,0|2,0,0]=3 670 B14R1.520 CCCC(C)COCc1ccccc1 34a_100000688023_100015291786 [1,0,0,0,0,0|2,0,0]=3 671 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000210790_100011216630 [1,0,0,0,0,0|2,0,0]=3 672 B14R1.520 CCCC(C)COCc1ccccc1 7a_100000688023_100000211182 [1,0,0,0,0,0|2,0,0]=3 673 B14R1.520 CCCC(C)COCc1ccccn1 34a_100000688023_100000721315 [1,0,0,0,0,0|3,0,0]=4 674 B14R1.520 CCCC(C)COCc1ccccn1 7a_100000688023_100000721315 [1,0,0,0,0,0|3,0,0]=4 675 B14R1.520 CCCC(C)COCc1cccnc1 34a_100000688023_100000733263 [1,0,0,0,0,0|3,0,0]=4 676 B14R1.520 CCCC(C)COCc1cccnc1 7a_100000688023_100000741622 [1,0,0,0,0,0|3,0,0]=4 677 B14R1.520 CCCC(C)COCc1ccncc1 7a_100000688023_100015193705 [1,0,0,0,0,0|3,0,0]=4 678 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100000211182_100011216630 [1,0,0,0,0,0|2,0,0]=3 679 B14R1.520 CCCC(C)CSCc1ccccc1 62a_100011216630_100015291786 [1,0,0,0,0,0|2,0,0]=3 680 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100000721315_100011216630 [1,0,0,0,0,0|3,0,0]=4 681 B14R1.520 CCCC(C)CSCc1ccccn1 62a_100011216630_100000721315 [1,0,0,0,0,0|3,0,0]=4 682 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100000741622_100011216630 [1,0,0,0,0,0|3,0,0]=4 683 B14R1.520 CCCC(C)CSCc1cccnc1 62a_100011216630_100000741622 [1,0,0,0,0,0|3,0,0]=4 684 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100011216630_100015193705 [1,0,0,0,0,0|3,0,0]=4 685 B14R1.520 CCCC(C)CSCc1ccncc1 62a_100015193705_100011216630 [1,0,0,0,0,0|3,0,0]=4 686 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000106460_100000766640 [1,0,0,0,0,0|1,0,0]=2 687 B14R1.520 CCCC(C)NCCc1ccccc1 2230a_100000741246_100000765856 [1,0,0,0,0,0|1,0,0]=2 688 B14R1.520 CCCC(C)NCCc1ccccc1 270004a_100000106460_100000211909 [1,0,0,0,0,0|1,0,0]=2 689 B14R1.520 CCCC(C)NCCc1ccccc1 34a_100000106460_100000766640 [1,0,0,0,0,0|1,0,0]=2 690 B14R1.520 CCCC(C)NCCc1ccccn1 2230a_100000741246_100015183660 [1,0,0,0,0,0|2,0,0]=3 691 B14R1.520 CCCC(C)NCCc1ccccn1 270004a_100000211156_100000211909 [1,0,0,0,0,0|2,0,0]=3 692 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000736294_100000766640 [1,0,0,0,0,0|2,0,0]=3 693 B14R1.520 CCCC(C)NCCc1cccnc1 2230a_100000741246_200011713674 [1,0,0,0,0,0|2,0,0]=3 694 B14R1.520 CCCC(C)NCCc1cccnc1 270004a_100000736294_100000211909 [1,0,0,0,0,0|2,0,0]=3 695 B14R1.520 CCCC(C)NCCc1ccncc1 2230a_100000741246_100000723409 [1,0,0,0,0,0|2,0,0]=3 696 B14R1.520 CCCC(C)NCCc1ccncc1 270004a_100000742849_100000211909 [1,0,0,0,0,0|2,0,0]=3 697 B14R1.520 CCCC(C)NCCc1cnccn1 270004a_100000723456_100000211909 [1,0,0,0,0,0|3,0,0]=4 698 B14R1.520 CCCC(C)NCSc1ccccc1 2230a_100000741246_100011218342 [1,0,0,0,0,0|2,0,0]=3 699 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000210268_100000766640 [1,0,0,0,0,0|0,0,0]=1 700 B14R1.520 CCCC(C)OCCc1ccccc1 34a_100000764384_100000765856 [1,0,0,0,0,0|0,0,0]=1 701 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000210268_100000766640 [1,0,0,0,0,0|0,0,0]=1 702 B14R1.520 CCCC(C)OCCc1ccccc1 7a_100000764384_100000765856 [1,0,0,0,0,0|0,0,0]=1 703 B14R1.520 CCCC(C)OCCc1ccccn1 34a_100000210271_100000766640 [1,0,0,0,0,0|1,0,0]=2 704 B14R1.520 CCCC(C)OCCc1ccccn1 7a_100000764384_100015183660 [1,0,0,0,0,0|1,0,0]=2 705 B14R1.520 CCCC(C)OCCc1cccnc1 34a_100011217484_100000766640 [1,0,0,0,0,0|1,0,0]=2 706 B14R1.520 CCCC(C)OCCc1cccnc1 7a_100000764384_200011713674 [1,0,0,0,0,0|1,0,0]=2 707 B14R1.520 CCCC(C)OCCc1ccncc1 34a_100011216225_100000766640 [1,0,0,0,0,0|1,0,0]=2 708 B14R1.520 CCCC(C)OCCc1ccncc1 7a_100000764384_100000723409 [1,0,0,0,0,0|1,0,0]=2 709 B14R1.520 CCCC(C)OCCc1cnccn1 34a_100011349526_100000766640 [1,0,0,0,0,0|2,0,0]=3 710 B14R1.520 CCCC(C)OCCc1cncnc1 34a_100011709255_100000766640 [1,0,0,0,0,0|2,0,0]=3 711 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000765856_100000766640 [1,0,0,0,0,0|0,1,0]=2 712 B14R1.520 CCCC(C)SCCc1ccccc1 62a_100000766640_100011218657 [1,0,0,0,0,0|0,1,0]=2 713 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100000766640_100015183660 [1,0,0,0,0,0|1,1,0]=3 714 B14R1.520 CCCC(C)SCCc1ccccn1 62a_100015183660_100000766640 [1,0,0,0,0,0|1,1,0]=3 715 B14R1.520 CCCC(C)SCCc1cccnc1 62a_100000766640_200011713674 [1,0,0,0,0,0|1,1,0]=3 716 B14R1.520 CCCC(C)SCCc1cccnc1 62a_200011713674_100000766640 [1,0,0,0,0,0|1,1,0]=3 717 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000723409_100000766640 [1,0,0,0,0,0|1,1,0]=3 718 B14R1.520 CCCC(C)SCCc1ccncc1 62a_100000766640_100000723409 [1,0,0,0,0,0|1,1,0]=3 719 B14R1.520 CCCC(C)SCSc1ccccc1 62a_100000766640_100011218342 [1,0,0,0,0,0|1,1,0]=3 720 B14R1.520 CCCC(C)SCSc1ccccc1 62a_100011218342_100000766640 [1,0,0,0,0,0|1,1,0]=3 721 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000693637_100000210303 [1,0,0,0,0,0|2,0,0]=3 722 B14R1.520 CCCN(C)CCCc1ccccc1 2230a_100000747261_100000211621 [1,0,0,0,0,0|2,0,0]=3 723 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000693637_100000210303 [1,0,0,0,0,0|2,0,0]=3 724 B14R1.520 CCCN(C)CCCc1ccccc1 269982a_100000747261_100000211621 [1,0,0,0,0,0|2,0,0]=3 725 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000184383_100000210303 [1,0,0,0,0,0|3,0,0]=4 726 B14R1.520 CCCN(C)CCOc1ccccc1 2230a_100000747261_100000184471 [1,0,0,0,0,0|3,0,0]=4 727 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000184383_100000210303 [1,0,0,0,0,0|3,0,0]=4 728 B14R1.520 CCCN(C)CCOc1ccccc1 269982a_100000747261_100000184471 [1,0,0,0,0,0|3,0,0]=4 729 B14R1.520 CCCN(C)CCOc1ccccc1 270004a_100000747261_100000758736 [1,0,0,0,0,0|3,0,0]=4 730 B14R1.520 CCCN(C)CCSc1ccccc1 2230a_100000747261_100000246102 [1,0,0,0,0,0|3,0,0]=4 731 B14R1.520 CCCN(C)CCSc1ccccc1 269982a_100000747261_100000246102 [1,0,0,0,0,0|3,0,0]=4 732 B14R1.520 CCCN(C)COCc1ccccc1 2230a_100000747261_100000763385 [1,0,0,0,0,0|3,0,0]=4 733 B14R1.520 CCCN(C)CSCc1ccccc1 2230a_100000747261_200011217039 [1,0,0,0,0,0|3,0,0]=4 734 B14R1.520 CCCN(C)CSCc1ccccc1 269982a_100000747261_200011217039 [1,0,0,0,0,0|3,0,0]=4 735 B14R1.520 CCC[C@H](N)COCc1ccccc1 34a_100000732646_100015291786 [1,0,0,0,0,0|3,0,0]=4 736 B14R1.520 CCNC(C)CCCc1ccccc1 2230a_100015525214_200010759516 [1,0,0,0,0,0|2,0,0]=3 737 B14R1.520 CCNC(C)COCc1ccccc1 270004a_100015525214_100011215004 [1,0,0,0,0,0|3,0,0]=4 738 B14R1.520 CCNC(C)CSCc1ccccc1 270004a_100015525214_100000172147 [1,0,0,0,0,0|3,0,0]=4 739 B14R1.520 CCOC(=O)OCSc1ccccc1 62a_100000719477_100000075025 [1,0,0,0,0,0|2,0,1]=4 740 B14R1.520 CCOC(C)CCCc1ccccc1 34a_100121572206_200010759516 [1,0,0,0,0,0|1,0,0]=2 741 B14R1.520 CCOC(C)COCc1ccccc1 34a_100000764311_100000210202 [1,0,0,0,0,0|2,0,0]=3 742 B14R1.520 CCOC(C)COCc1ccccc1 7a_100000764311_100000210202 [1,0,0,0,0,0|2,0,0]=3 743 B14R1.520 CCSC(C)CCCc1ccccc1 62a_100000210202_200010759516 [1,0,0,0,0,0|1,1,0]=3 744 B14R1.520 CCSC(C)CCCc1ccccc1 62a_200010759516_100000210202 [1,0,0,0,0,0|1,1,0]=3 745 B14R1.520 CN(CCF)CCCc1ccccc1 2230a_100000693637_100011217306 [1,0,0,0,0,0|3,0,0]=4 746 B14R1.520 CN(CCF)CCCc1ccccc1 269982a_100000693637_100011217306 [1,0,0,0,0,0|3,0,0]=4 747 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000210263_100000211621 [1,0,0,0,0,0|3,0,0]=4 748 B14R1.520 CN(CCO)CCCc1ccccc1 2230a_100000693637_100000211926 [1,0,0,0,0,0|3,0,0]=4 749 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000210263_100000211621 [1,0,0,0,0,0|3,0,0]=4 750 B14R1.520 CN(CCO)CCCc1ccccc1 269982a_100000693637_100000211926 [1,0,0,0,0,0|3,0,0]=4 751 B14R1.520 CNCC(=O)OCCc1ccccc1 2230a_106832991635_200000077782 [1,0,0,0,0,0|2,0,1]=4 752 B14R1.520 CNCC(=O)OCCc1ccccc1 34a_100102657272_200000077782 [1,0,0,0,0,0|2,0,1]=4 753 B14R1.520 CNCC(=O)OCCc1ccccc1 7a_106832991635_200000077782 [1,0,0,0,0,0|2,0,1]=4 754 B14R1.520 CNCC(C)COCc1ccccc1 2230a_106832991635_100011216253 [1,0,0,0,0,0|3,0,0]=4 755 B14R1.520 CNCC(C)COCc1ccccc1 34a_100102657272_100011216253 [1,0,0,0,0,0|3,0,0]=4 756 B14R1.520 CNCC(C)COCc1ccccc1 7a_106832991635_100011216253 [1,0,0,0,0,0|3,0,0]=4 757 B14R1.520 COCC(=O)OCCc1ccccc1 34a_100138415774_200000077782 [1,0,0,0,0,0|2,0,1]=4 758 B14R1.520 COCC(C)CNCc1ccccc1 34a_100015184949_200000210301 [1,0,0,0,0,0|3,0,0]=4 759 B14R1.520 COCC(C)COCc1ccccc1 34a_100138415774_100011216253 [1,0,0,0,0,0|3,0,0]=4 760 B14R1.520 COCC(C)COCc1ccccc1 34a_200011216033_200000210301 [1,0,0,0,0,0|3,0,0]=4 761 B14R1.520 COCC(C)COCc1ccccc1 7a_200011216033_200000210301 [1,0,0,0,0,0|3,0,0]=4 762 B14R1.520 COCC(C)NCCc1ccccc1 2230a_100000106460_100000765312 [1,0,0,0,0,0|2,0,0]=3 763 B14R1.520 COCC(C)NCCc1ccccc1 270004a_100000106460_100000749346 [1,0,0,0,0,0|2,0,0]=3 764 B14R1.520 COCC(C)NCCc1ccccc1 34a_100000106460_100000765312 [1,0,0,0,0,0|2,0,0]=3 765 B14R1.520 COCC(C)NCCc1ccccn1 270004a_100000211156_100000749346 [1,0,0,0,0,0|3,0,0]=4 766 B14R1.520 COCC(C)NCCc1cccnc1 2230a_100000736294_100000765312 [1,0,0,0,0,0|3,0,0]=4 767 B14R1.520 COCC(C)NCCc1cccnc1 270004a_100000736294_100000749346 [1,0,0,0,0,0|3,0,0]=4 768 B14R1.520 COCC(C)NCCc1ccncc1 270004a_100000742849_100000749346 [1,0,0,0,0,0|3,0,0]=4 769 B14R1.520 COCC(C)OCCc1ccccc1 34a_100000210268_100000765312 [1,0,0,0,0,0|1,0,0]=2 770 B14R1.520 COCC(C)OCCc1ccccc1 7a_100000210268_100000765312 [1,0,0,0,0,0|1,0,0]=2 771 B14R1.520 COCC(C)OCCc1ccccn1 34a_100000210271_100000765312 [1,0,0,0,0,0|2,0,0]=3 772 B14R1.520 COCC(C)OCCc1cccnc1 34a_100011217484_100000765312 [1,0,0,0,0,0|2,0,0]=3 773 B14R1.520 COCC(C)OCCc1ccncc1 34a_100011216225_100000765312 [1,0,0,0,0,0|2,0,0]=3 774 B14R1.520 COCC(C)OCCc1cnccn1 34a_100011349526_100000765312 [1,0,0,0,0,0|3,0,0]=4 775 B14R1.520 COCC(C)OCCc1cncnc1 34a_100011709255_100000765312 [1,0,0,0,0,0|3,0,0]=4 776 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765312_100011218657 [1,0,0,0,0,0|1,1,0]=3 777 B14R1.520 COCC(C)SCCc1ccccc1 62a_100000765856_100000765312 [1,0,0,0,0,0|1,1,0]=3 778 B14R1.520 COCC(C)SCCc1ccccn1 62a_100000765312_100015183660 [1,0,0,0,0,0|2,1,0]=4 779 B14R1.520 COCC(C)SCCc1ccccn1 62a_100015183660_100000765312 [1,0,0,0,0,0|2,1,0]=4 780 B14R1.520 COCC(C)SCCc1cccnc1 62a_100000765312_200011713674 [1,0,0,0,0,0|2,1,0]=4 781 B14R1.520 COCC(C)SCCc1cccnc1 62a_200011713674_100000765312 [1,0,0,0,0,0|2,1,0]=4 782 B14R1.520 COCC(C)SCCc1ccncc1 62a_100000723409_100000765312 [1,0,0,0,0,0|2,1,0]=4 783 B14R1.520 COCC(C)SCCc1ccncc1 62a_100000765312_100000723409 [1,0,0,0,0,0|2,1,0]=4 784 B14R1.520 COCC(C)SCSc1ccccc1 62a_100000765312_100011218342 [1,0,0,0,0,0|2,1,0]=4 785 B14R1.520 COCC(C)SCSc1ccccc1 62a_100011218342_100000765312 [1,0,0,0,0,0|2,1,0]=4 786 B14R1.520 COCN(C)CCCc1ccccc1 2230a_100000693637_100000766300 [1,0,0,0,0,0|3,0,0]=4 787 B14R1.520 COCN(C)CCCc1ccccc1 269982a_100000693637_100000766300 [1,0,0,0,0,0|3,0,0]=4 788 B14R1.520 COC[C@@H](C)NCCc1ccccc1 2230a_100000764878_100000765856 [1,0,0,0,0,0|2,0,0]=3 789 B14R1.520 COC[C@@H](C)NCCc1ccccn1 2230a_100000764878_100015183660 [1,0,0,0,0,0|3,0,0]=4 790 B14R1.520 COC[C@@H](C)NCCc1cccnc1 2230a_100000764878_200011713674 [1,0,0,0,0,0|3,0,0]=4 791 B14R1.520 COC[C@@H](C)NCCc1ccncc1 2230a_100000764878_100000723409 [1,0,0,0,0,0|3,0,0]=4 792 B14R1.520 COC[C@@H](C)NCSc1ccccc1 2230a_100000764878_100011218342 [1,0,0,0,0,0|3,0,0]=4 793 B14R1.520 COC[C@@H](C)OCCc1ccccc1 34a_100011934205_100000765856 [1,0,0,0,0,0|1,0,0]=2 794 B14R1.520 CSCC(=O)OCCc1ccccc1 62a_200000077782_200000210301 [1,0,0,0,0,0|2,0,1]=4 795 B14R1.520 CSCC(=O)OCCc1ccccc1 62a_200000210301_200000077782 [1,0,0,0,0,0|2,0,1]=4 796 B14R1.520 CSCC(C)COCc1ccccc1 62a_100011216253_200000210301 [1,0,0,0,0,0|3,0,0]=4 797 B14R1.520 CSCC(C)COCc1ccccc1 62a_200000210301_100011216253 [1,0,0,0,0,0|3,0,0]=4 798 B14R1.520 CSCC(C)NCCc1ccccc1 270004a_100000106460_100011216314 [1,0,0,0,0,0|2,0,0]=3 799 B14R1.520 CSCC(C)NCCc1ccccn1 270004a_100000211156_100011216314 [1,0,0,0,0,0|3,0,0]=4 800 B14R1.520 CSCC(C)NCCc1cccnc1 270004a_100000736294_100011216314 [1,0,0,0,0,0|3,0,0]=4 801 B14R1.520 CSCC(C)NCCc1ccncc1 270004a_100000742849_100011216314 [1,0,0,0,0,0|3,0,0]=4 802 B14R1.520 CSCN(C)CCCc1ccccc1 2230a_100000693637_100011218213 [1,0,0,0,0,0|3,0,0]=4 803 B14R1.520 CSCN(C)CCCc1ccccc1 269982a_100000693637_100011218213 [1,0,0,0,0,0|3,0,0]=4 804 B14R1.520 C[C@@H](CC#N)NCCc1ccccc1 2230a_100016994482_100000765856 [1,0,0,0,0,0|2,0,1]=4 805 B14R1.520 C[C@H](CCO)NCCc1ccccc1 2230a_100000706166_100000765856 [1,0,0,0,0,0|2,0,0]=3 806 B14R1.520 C[C@H](CCO)NCCc1ccccc1 34a_100000706166_100000765856 [1,0,0,0,0,0|2,0,0]=3 807 B14R1.520 C[C@H](CCO)NCCc1ccccn1 2230a_100000706166_100015183660 [1,0,0,0,0,0|3,0,0]=4 808 B14R1.520 C[C@H](CCO)NCCc1cccnc1 2230a_100000706166_200011713674 [1,0,0,0,0,0|3,0,0]=4 809 B14R1.520 C[C@H](CCO)NCCc1ccncc1 2230a_100000706166_100000723409 [1,0,0,0,0,0|3,0,0]=4 810 B14R1.520 C[C@H](CCO)NCSc1ccccc1 2230a_100000706166_100011218342 [1,0,0,0,0,0|3,0,0]=4 811 B14R1.520 [13CH3]SCC(=O)OCCc1ccccc1 62a_200000077782_200025704644 [1,0,0,0,0,0|2,0,1]=4 812 B14R1.520 [13CH3]SCC(=O)OCCc1ccccc1 62a_200025704644_200000077782 [1,0,0,0,0,0|2,0,1]=4 813 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)Br 34a_100000765329_100011740612 [0,1,0,0,0,0|1,0,2]=4 814 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)Br 7a_100000765329_100011740612 [0,1,0,0,0,0|1,0,2]=4 815 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)C 34a_100000765329_100011713686 [0,1,0,0,0,0|1,0,2]=4 816 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)C 7a_100000765329_100011713686 [0,1,0,0,0,0|1,0,2]=4 817 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)Cl 34a_100000765329_100011713675 [0,1,0,0,0,0|1,0,2]=4 818 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)Cl 7a_100000765329_100011713675 [0,1,0,0,0,0|1,0,2]=4 819 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)F 34a_100000765329_100011217392 [0,1,0,0,0,0|1,0,2]=4 820 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)F 7a_100000765329_100011217392 [0,1,0,0,0,0|1,0,2]=4 821 B16R1.8 C=CCCC(C)OCCc1ccc(cc1)O 7a_100000765329_100009816426 [0,1,0,0,0,0|1,0,2]=4 822 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)Br 34a_200000718107_100011740612 [0,1,0,0,0,0|2,0,0]=3 823 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)Br 7a_200000718107_100011740612 [0,1,0,0,0,0|2,0,0]=3 824 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)Cl 34a_200000718107_100011713675 [0,1,0,0,0,0|2,0,0]=3 825 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)Cl 7a_200000718107_100011713675 [0,1,0,0,0,0|2,0,0]=3 826 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)F 34a_200000718107_100011217392 [0,1,0,0,0,0|2,0,0]=3 827 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)F 7a_200000718107_100011217392 [0,1,0,0,0,0|2,0,0]=3 828 B16R1.8 CC(CCCCl)OCCc1ccc(cc1)O 7a_200000718107_100009816426 [0,1,0,0,0,0|2,0,0]=3 829 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)Br 34a_100000033903_100011740612 [0,1,0,0,0,0|1,0,1]=3 830 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)Br 7a_100000033903_100011740612 [0,1,0,0,0,0|1,0,1]=3 831 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)C 34a_100000033903_100011713686 [0,1,0,0,0,0|1,0,1]=3 832 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)C 7a_100000033903_100011713686 [0,1,0,0,0,0|1,0,1]=3 833 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)Cl 34a_100000033903_100011713675 [0,1,0,0,0,0|1,0,1]=3 834 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)Cl 7a_100000033903_100011713675 [0,1,0,0,0,0|1,0,1]=3 835 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)F 34a_100000033903_100011217392 [0,1,0,0,0,0|1,0,1]=3 836 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)F 7a_100000033903_100011217392 [0,1,0,0,0,0|1,0,1]=3 837 B16R1.8 CCC#CC(C)OCCc1ccc(cc1)O 7a_100000033903_100009816426 [0,1,0,0,0,0|1,0,1]=3 838 B16R1.8 CCCCC(C)COCc1ccc(cc1)Br 34a_100011995851_100000189115 [0,1,0,0,0,0|3,0,0]=4 839 B16R1.8 CCCCC(C)COCc1ccc(cc1)Br 7a_100011995851_100011217064 [0,1,0,0,0,0|3,0,0]=4 840 B16R1.8 CCCCC(C)COCc1ccc(cc1)C 34a_100011995851_100000210814 [0,1,0,0,0,0|3,0,0]=4 841 B16R1.8 CCCCC(C)COCc1ccc(cc1)C 7a_100011995851_100000210814 [0,1,0,0,0,0|3,0,0]=4 842 B16R1.8 CCCCC(C)COCc1ccc(cc1)Cl 34a_100011995851_100000694040 [0,1,0,0,0,0|3,0,0]=4 843 B16R1.8 CCCCC(C)COCc1ccc(cc1)Cl 7a_100011995851_100000187161 [0,1,0,0,0,0|3,0,0]=4 844 B16R1.8 CCCCC(C)COCc1ccc(cc1)F 34a_100011995851_100000198546 [0,1,0,0,0,0|3,0,0]=4 845 B16R1.8 CCCCC(C)COCc1ccc(cc1)F 7a_100011995851_100000198546 [0,1,0,0,0,0|3,0,0]=4 846 B16R1.8 CCCCC(C)COCc1ccc(cc1)I 34a_100011995851_100000189116 [0,1,0,0,0,0|3,0,0]=4 847 B16R1.8 CCCCC(C)COCc1ccc(cc1)I 7a_100011995851_100000189116 [0,1,0,0,0,0|3,0,0]=4 848 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Br 2230a_100000126638_100011740612 [0,1,0,0,0,0|2,0,0]=3 849 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_200011215066 [0,1,0,0,0,0|2,0,0]=3 850 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000210087 [0,1,0,0,0,0|2,0,0]=3 851 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Br 34a_100000755846_200011215066 [0,1,0,0,0,0|2,0,0]=3 852 B16R1.8 CCCCC(C)NCCc1ccc(cc1)C 2230a_100000126638_100011713686 [0,1,0,0,0,0|2,0,0]=3 853 B16R1.8 CCCCC(C)NCCc1ccc(cc1)C 2230a_100000705350_200011215066 [0,1,0,0,0,0|2,0,0]=3 854 B16R1.8 CCCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000210087 [0,1,0,0,0,0|2,0,0]=3 855 B16R1.8 CCCCC(C)NCCc1ccc(cc1)C 34a_100000705350_200011215066 [0,1,0,0,0,0|2,0,0]=3 856 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000126638_100011713675 [0,1,0,0,0,0|2,0,0]=3 857 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_200011215066 [0,1,0,0,0,0|2,0,0]=3 858 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000210087 [0,1,0,0,0,0|2,0,0]=3 859 B16R1.8 CCCCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_200011215066 [0,1,0,0,0,0|2,0,0]=3 860 B16R1.8 CCCCC(C)NCCc1ccc(cc1)F 2230a_100000126638_100011217392 [0,1,0,0,0,0|2,0,0]=3 861 B16R1.8 CCCCC(C)NCCc1ccc(cc1)F 2230a_100000199005_200011215066 [0,1,0,0,0,0|2,0,0]=3 862 B16R1.8 CCCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000210087 [0,1,0,0,0,0|2,0,0]=3 863 B16R1.8 CCCCC(C)NCCc1ccc(cc1)F 34a_100000199005_200011215066 [0,1,0,0,0,0|2,0,0]=3 864 B16R1.8 CCCCC(C)NCCc1ccc(cc1)O 2230a_100000126638_100009816426 [0,1,0,0,0,0|2,0,0]=3 865 B16R1.8 CCCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000210087 [0,1,0,0,0,0|2,0,0]=3 866 B16R1.8 CCCCC(C)NCCc1ccc(cc1)O 34a_100000743037_200011215066 [0,1,0,0,0,0|2,0,0]=3 867 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Br 34a_100000687866_100011740612 [0,1,0,0,0,0|1,0,0]=2 868 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Br 34a_100000766406_200011215066 [0,1,0,0,0,0|1,0,0]=2 869 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Br 7a_100000687866_100011740612 [0,1,0,0,0,0|1,0,0]=2 870 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Br 7a_100000766406_200011215066 [0,1,0,0,0,0|1,0,0]=2 871 B16R1.8 CCCCC(C)OCCc1ccc(cc1)C 34a_100000687866_100011713686 [0,1,0,0,0,0|1,0,0]=2 872 B16R1.8 CCCCC(C)OCCc1ccc(cc1)C 34a_100000756670_200011215066 [0,1,0,0,0,0|1,0,0]=2 873 B16R1.8 CCCCC(C)OCCc1ccc(cc1)C 7a_100000687866_100011713686 [0,1,0,0,0,0|1,0,0]=2 874 B16R1.8 CCCCC(C)OCCc1ccc(cc1)C 7a_100000756670_200011215066 [0,1,0,0,0,0|1,0,0]=2 875 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Cl 34a_100000687866_100011713675 [0,1,0,0,0,0|1,0,0]=2 876 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_200011215066 [0,1,0,0,0,0|1,0,0]=2 877 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Cl 7a_100000687866_100011713675 [0,1,0,0,0,0|1,0,0]=2 878 B16R1.8 CCCCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_200011215066 [0,1,0,0,0,0|1,0,0]=2 879 B16R1.8 CCCCC(C)OCCc1ccc(cc1)F 34a_100000687866_100011217392 [0,1,0,0,0,0|1,0,0]=2 880 B16R1.8 CCCCC(C)OCCc1ccc(cc1)F 34a_100000754732_200011215066 [0,1,0,0,0,0|1,0,0]=2 881 B16R1.8 CCCCC(C)OCCc1ccc(cc1)F 7a_100000687866_100011217392 [0,1,0,0,0,0|1,0,0]=2 882 B16R1.8 CCCCC(C)OCCc1ccc(cc1)F 7a_100000754732_200011215066 [0,1,0,0,0,0|1,0,0]=2 883 B16R1.8 CCCCC(C)OCCc1ccc(cc1)I 34a_100012291149_200011215066 [0,1,0,0,0,0|1,0,0]=2 884 B16R1.8 CCCCC(C)OCCc1ccc(cc1)I 7a_100012291149_200011215066 [0,1,0,0,0,0|1,0,0]=2 885 B16R1.8 CCCCC(C)OCCc1ccc(cc1)N 34a_100011204434_200011215066 [0,1,0,0,0,0|1,0,0]=2 886 B16R1.8 CCCCC(C)OCCc1ccc(cc1)O 7a_100000687866_100009816426 [0,1,0,0,0,0|1,0,0]=2 887 B16R1.8 CCCCC(C)OCCc1ccc(cn1)Br 34a_100012357577_200011215066 [0,1,0,0,0,0|2,0,0]=3 888 B16R1.8 CCCCC(C)OCCc1ccc(nc1)C 34a_100011815783_200011215066 [0,1,0,0,0,0|2,0,0]=3 889 B16R1.8 CCCCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_200011215066 [0,1,0,0,0,0|2,0,0]=3 890 B16R1.8 CCCCC(C)OCCc1ccc(nc1)Cl 7a_100009880866_200011215066 [0,1,0,0,0,0|2,0,0]=3 891 B16R1.8 CCCCC(C)SCCc1ccc(cc1)C 62a_100011713686_200011215066 [0,1,0,0,0,0|1,1,0]=3 892 B16R1.8 CCCCC(C)SCCc1ccc(cc1)C 62a_200011215066_100011713686 [0,1,0,0,0,0|1,1,0]=3 893 B16R1.8 CCCCC(C)SCCc1ccc(cc1)F 62a_100011217392_200011215066 [0,1,0,0,0,0|1,1,0]=3 894 B16R1.8 CCCCC(C)SCCc1ccc(cc1)F 62a_200011215066_100011217392 [0,1,0,0,0,0|1,1,0]=3 895 B16R1.8 CCCCC(C)SCCc1ccc(cc1)O 62a_100009816426_200011215066 [0,1,0,0,0,0|1,1,0]=3 896 B16R1.8 CCCCC(C)SCCc1ccc(cc1)O 62a_200011215066_100009816426 [0,1,0,0,0,0|1,1,0]=3 897 B16R1.8 CCCCN(C)CCCc1ccc(cc1)Br 2230a_100000207549_100011713682 [0,1,0,0,0,0|3,0,0]=4 898 B16R1.8 CCCCN(C)CCCc1ccc(cc1)Br 269982a_100000207549_100011713682 [0,1,0,0,0,0|3,0,0]=4 899 B16R1.8 CCCCN(C)CCCc1ccc(cc1)Cl 2230a_100000207549_100000759440 [0,1,0,0,0,0|3,0,0]=4 900 B16R1.8 CCCCN(C)CCCc1ccc(cc1)Cl 269982a_100000207549_100000759440 [0,1,0,0,0,0|3,0,0]=4 901 B16R1.8 CCCCN(C)CCCc1ccc(cc1)F 2230a_100000207549_200011713563 [0,1,0,0,0,0|3,0,0]=4 902 B16R1.8 CCCCN(C)CCCc1ccc(cc1)F 269982a_100000207549_200011713563 [0,1,0,0,0,0|3,0,0]=4 903 B16R1.8 CCCNC(C)CCSc1ccc(cc1)F 270004a_100020643023_100000208766 [0,1,0,0,0,0|3,0,0]=4 904 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)Br 34a_100000210018_200000139673 [0,1,0,0,0,0|2,0,1]=4 905 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)C 34a_100000124888_200000139673 [0,1,0,0,0,0|2,0,1]=4 906 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)Cl 34a_100000210052_200000139673 [0,1,0,0,0,0|2,0,1]=4 907 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)F 34a_100000185862_200000139673 [0,1,0,0,0,0|2,0,1]=4 908 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)I 34a_100000185761_200000139673 [0,1,0,0,0,0|2,0,1]=4 909 B16R1.8 CCCOC(=O)OCNc1ccc(cc1)O 34a_100000185829_200000139673 [0,1,0,0,0,0|2,0,1]=4 910 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)Br 34a_100000185759_200000139673 [0,1,0,0,0,0|2,0,1]=4 911 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)Br 7a_100000185759_200000139673 [0,1,0,0,0,0|2,0,1]=4 912 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)C 34a_100000210336_200000139673 [0,1,0,0,0,0|2,0,1]=4 913 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)C 7a_100000210336_200000139673 [0,1,0,0,0,0|2,0,1]=4 914 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)Cl 34a_100000210216_200000139673 [0,1,0,0,0,0|2,0,1]=4 915 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)Cl 7a_100000210216_200000139673 [0,1,0,0,0,0|2,0,1]=4 916 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)F 34a_100000210339_200000139673 [0,1,0,0,0,0|2,0,1]=4 917 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)I 34a_100000212066_200000139673 [0,1,0,0,0,0|2,0,1]=4 918 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)I 7a_100000212066_200000139673 [0,1,0,0,0,0|2,0,1]=4 919 B16R1.8 CCCOC(=O)OCOc1ccc(cc1)N 34a_100000185829_200000139673 [0,1,0,0,0,0|2,0,1]=4 920 B16R1.8 CCCOC(=O)OCSc1ccc(cc1)Br 62a_100000752885_200000139673 [0,1,0,0,0,0|2,0,1]=4 921 B16R1.8 CCCOC(=O)OCSc1ccc(cc1)C 62a_100000186775_200000139673 [0,1,0,0,0,0|2,0,1]=4 922 B16R1.8 CCCOC(=O)OCSc1ccc(cc1)Cl 62a_100000755918_200000139673 [0,1,0,0,0,0|2,0,1]=4 923 B16R1.8 CCCOC(=O)OCSc1ccc(cc1)F 62a_100000211213_200000139673 [0,1,0,0,0,0|2,0,1]=4 924 B16R1.8 CCCOC(=O)OCSc1ccc(cc1)N 62a_100000185761_200000139673 [0,1,0,0,0,0|2,0,1]=4 925 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Br 207a_100015185124_100000186029 [0,1,0,0,0,0|2,0,0]=3 926 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Br 2230a_100015185124_100011217064 [0,1,0,0,0,0|2,0,0]=3 927 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Br 26a_100015185124_100000185759 [0,1,0,0,0,0|2,0,0]=3 928 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Br 270004a_100015185124_100000186029 [0,1,0,0,0,0|2,0,0]=3 929 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Br 34a_100015185124_100000189115 [0,1,0,0,0,0|2,0,0]=3 930 B16R1.8 CCCOC(C)CNCc1ccc(cc1)C 207a_100015185124_100000211033 [0,1,0,0,0,0|2,0,0]=3 931 B16R1.8 CCCOC(C)CNCc1ccc(cc1)C 2230a_100015185124_100000210814 [0,1,0,0,0,0|2,0,0]=3 932 B16R1.8 CCCOC(C)CNCc1ccc(cc1)C 26a_100015185124_200020625495 [0,1,0,0,0,0|2,0,0]=3 933 B16R1.8 CCCOC(C)CNCc1ccc(cc1)C 270004a_100015185124_100000211033 [0,1,0,0,0,0|2,0,0]=3 934 B16R1.8 CCCOC(C)CNCc1ccc(cc1)C 34a_100015185124_100000210814 [0,1,0,0,0,0|2,0,0]=3 935 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Cl 207a_100015185124_100000189385 [0,1,0,0,0,0|2,0,0]=3 936 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Cl 2230a_100015185124_100000694040 [0,1,0,0,0,0|2,0,0]=3 937 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Cl 270004a_100015185124_100000189385 [0,1,0,0,0,0|2,0,0]=3 938 B16R1.8 CCCOC(C)CNCc1ccc(cc1)Cl 34a_100015185124_100000694040 [0,1,0,0,0,0|2,0,0]=3 939 B16R1.8 CCCOC(C)CNCc1ccc(cc1)F 207a_100015185124_100000210084 [0,1,0,0,0,0|2,0,0]=3 940 B16R1.8 CCCOC(C)CNCc1ccc(cc1)F 2230a_100015185124_100000198546 [0,1,0,0,0,0|2,0,0]=3 941 B16R1.8 CCCOC(C)CNCc1ccc(cc1)F 270004a_100015185124_100000210084 [0,1,0,0,0,0|2,0,0]=3 942 B16R1.8 CCCOC(C)CNCc1ccc(cc1)F 34a_100015185124_100000198546 [0,1,0,0,0,0|2,0,0]=3 943 B16R1.8 CCCOC(C)CNCc1ccc(cc1)I 207a_100015185124_100000188517 [0,1,0,0,0,0|2,0,0]=3 944 B16R1.8 CCCOC(C)CNCc1ccc(cc1)I 2230a_100015185124_100000189116 [0,1,0,0,0,0|2,0,0]=3 945 B16R1.8 CCCOC(C)CNCc1ccc(cc1)I 34a_100015185124_100000189116 [0,1,0,0,0,0|2,0,0]=3 946 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Br 207a_100015185124_100000754260 [0,1,0,0,0,0|3,0,0]=4 947 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Br 2230a_100015185124_100000702658 [0,1,0,0,0,0|3,0,0]=4 948 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Br 270004a_100015185124_100000754260 [0,1,0,0,0,0|3,0,0]=4 949 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Br 34a_100015185124_100000702658 [0,1,0,0,0,0|3,0,0]=4 950 B16R1.8 CCCOC(C)CNCc1ccc(cn1)C 207a_100015185124_100000050478 [0,1,0,0,0,0|3,0,0]=4 951 B16R1.8 CCCOC(C)CNCc1ccc(cn1)C 2230a_100015185124_100000691093 [0,1,0,0,0,0|3,0,0]=4 952 B16R1.8 CCCOC(C)CNCc1ccc(cn1)C 270004a_100015185124_100000050478 [0,1,0,0,0,0|3,0,0]=4 953 B16R1.8 CCCOC(C)CNCc1ccc(cn1)C 34a_100015185124_100000691093 [0,1,0,0,0,0|3,0,0]=4 954 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Cl 207a_100015185124_100011361569 [0,1,0,0,0,0|3,0,0]=4 955 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Cl 2230a_100015185124_100012066911 [0,1,0,0,0,0|3,0,0]=4 956 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Cl 270004a_100015185124_100011361569 [0,1,0,0,0,0|3,0,0]=4 957 B16R1.8 CCCOC(C)CNCc1ccc(cn1)Cl 34a_100015185124_100012066911 [0,1,0,0,0,0|3,0,0]=4 958 B16R1.8 CCCOC(C)CNCc1ccc(cn1)F 207a_100015185124_100011934744 [0,1,0,0,0,0|3,0,0]=4 959 B16R1.8 CCCOC(C)CNCc1ccc(cn1)F 2230a_100015185124_100000703193 [0,1,0,0,0,0|3,0,0]=4 960 B16R1.8 CCCOC(C)CNCc1ccc(cn1)F 270004a_100015185124_100011934744 [0,1,0,0,0,0|3,0,0]=4 961 B16R1.8 CCCOC(C)CNCc1ccc(cn1)F 34a_100015185124_100000703193 [0,1,0,0,0,0|3,0,0]=4 962 B16R1.8 CCCOC(C)CNCc1ccc(nc1)Br 2230a_100015185124_100009831999 [0,1,0,0,0,0|3,0,0]=4 963 B16R1.8 CCCOC(C)CNCc1ccc(nc1)Br 34a_100015185124_100009831999 [0,1,0,0,0,0|3,0,0]=4 964 B16R1.8 CCCOC(C)CNCc1ccc(nc1)C 2230a_100015185124_100016987292 [0,1,0,0,0,0|3,0,0]=4 965 B16R1.8 CCCOC(C)CNCc1ccc(nc1)C 270004a_100015185124_100000743784 [0,1,0,0,0,0|3,0,0]=4 966 B16R1.8 CCCOC(C)CNCc1ccc(nc1)C 34a_100015185124_100016987292 [0,1,0,0,0,0|3,0,0]=4 967 B16R1.8 CCCOC(C)CNCc1ccc(nc1)Cl 2230a_100015185124_100000735431 [0,1,0,0,0,0|3,0,0]=4 968 B16R1.8 CCCOC(C)CNCc1ccc(nc1)Cl 34a_100015185124_100000735431 [0,1,0,0,0,0|3,0,0]=4 969 B16R1.8 CCCOC(C)CNCc1ccc(nc1)F 2230a_100015185124_100009820150 [0,1,0,0,0,0|3,0,0]=4 970 B16R1.8 CCCOC(C)CNCc1ccc(nc1)F 34a_100015185124_100000099788 [0,1,0,0,0,0|3,0,0]=4 971 B16R1.8 CCCOC(C)CNCc1ccc(nc1)O 207a_100015185124_100011361521 [0,1,0,0,0,0|3,0,0]=4 972 B16R1.8 CCOCC(C)OCCc1ccc(cc1)Br 34a_100000718985_100011740612 [0,1,0,0,0,0|2,0,0]=3 973 B16R1.8 CCOCC(C)OCCc1ccc(cc1)Br 7a_100000718985_100011740612 [0,1,0,0,0,0|2,0,0]=3 974 B16R1.8 CCOCC(C)OCCc1ccc(cc1)C 34a_100000718985_100011713686 [0,1,0,0,0,0|2,0,0]=3 975 B16R1.8 CCOCC(C)OCCc1ccc(cc1)C 7a_100000718985_100011713686 [0,1,0,0,0,0|2,0,0]=3 976 B16R1.8 CCOCC(C)OCCc1ccc(cc1)Cl 34a_100000718985_100011713675 [0,1,0,0,0,0|2,0,0]=3 977 B16R1.8 CCOCC(C)OCCc1ccc(cc1)Cl 7a_100000718985_100011713675 [0,1,0,0,0,0|2,0,0]=3 978 B16R1.8 CCOCC(C)OCCc1ccc(cc1)F 34a_100000718985_100011217392 [0,1,0,0,0,0|2,0,0]=3 979 B16R1.8 CCOCC(C)OCCc1ccc(cc1)F 7a_100000718985_100011217392 [0,1,0,0,0,0|2,0,0]=3 980 B16R1.8 CCOCC(C)OCCc1ccc(cc1)O 7a_100000718985_100009816426 [0,1,0,0,0,0|2,0,0]=3 981 B16R1.8 CCSCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_200011216171 [0,1,0,0,0,0|3,0,0]=4 982 B16R1.8 CCSCC(C)NCCc1ccc(cc1)C 270004a_100000705350_200011216171 [0,1,0,0,0,0|3,0,0]=4 983 B16R1.8 CCSCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_200011216171 [0,1,0,0,0,0|3,0,0]=4 984 B16R1.8 CCSCC(C)NCCc1ccc(cc1)F 270004a_100000199005_200011216171 [0,1,0,0,0,0|3,0,0]=4 985 B16R1.8 CCSCC(C)NCCc1ccc(cc1)O 270004a_100000743037_200011216171 [0,1,0,0,0,0|3,0,0]=4 986 B16R1.8 COCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000742357 [0,1,0,0,0,0|3,0,0]=4 987 B16R1.8 COCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000742357 [0,1,0,0,0,0|3,0,0]=4 988 B16R1.8 COCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000742357 [0,1,0,0,0,0|3,0,0]=4 989 B16R1.8 COCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000742357 [0,1,0,0,0,0|3,0,0]=4 990 B16R1.8 COCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000742357 [0,1,0,0,0,0|3,0,0]=4 991 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)Br 34a_100016172286_100000189115 [0,1,0,0,0,0|3,0,0]=4 992 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)Br 7a_100016172286_100011217064 [0,1,0,0,0,0|3,0,0]=4 993 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)C 34a_100016172286_100000210814 [0,1,0,0,0,0|3,0,0]=4 994 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)C 7a_100016172286_100000210814 [0,1,0,0,0,0|3,0,0]=4 995 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)Cl 34a_100016172286_100000694040 [0,1,0,0,0,0|3,0,0]=4 996 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)Cl 7a_100016172286_100000187161 [0,1,0,0,0,0|3,0,0]=4 997 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)F 34a_100016172286_100000198546 [0,1,0,0,0,0|3,0,0]=4 998 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)F 7a_100016172286_100000198546 [0,1,0,0,0,0|3,0,0]=4 999 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)I 34a_100016172286_100000189116 [0,1,0,0,0,0|3,0,0]=4 1000 B16R1.8 COCO[C@H](C)COCc1ccc(cc1)I 7a_100016172286_100000189116 [0,1,0,0,0,0|3,0,0]=4 1001 B16R1.8 CSCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011217047 [0,1,0,0,0,0|3,0,0]=4 1002 B16R1.8 CSCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011217047 [0,1,0,0,0,0|3,0,0]=4 1003 B16R1.8 CSCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011217047 [0,1,0,0,0,0|3,0,0]=4 1004 B16R1.8 CSCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011217047 [0,1,0,0,0,0|3,0,0]=4 1005 B16R1.8 CSCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011217047 [0,1,0,0,0,0|3,0,0]=4 1006 B16R1.8 Cc1ccc(cc1)CCOC(C)CCCCl 34a_200000718107_100011713686 [0,1,0,0,0,0|2,0,0]=3 1007 B16R1.8 Cc1ccc(cc1)CCOC(C)CCCCl 7a_200000718107_100011713686 [0,1,0,0,0,0|2,0,0]=3 1008 B16R1.119 C=CCCC(C)OCCc1cccc(c1)Br 34a_100000765329_100011740638 [0,1,0,0,0,0|1,0,2]=4 1009 B16R1.119 C=CCCC(C)OCCc1cccc(c1)Br 7a_100000765329_100011740638 [0,1,0,0,0,0|1,0,2]=4 1010 B16R1.119 C=CCCC(C)OCCc1cccc(c1)C 34a_100000765329_100011713685 [0,1,0,0,0,0|1,0,2]=4 1011 B16R1.119 C=CCCC(C)OCCc1cccc(c1)C 7a_100000765329_100011713685 [0,1,0,0,0,0|1,0,2]=4 1012 B16R1.119 C=CCCC(C)OCCc1cccc(c1)Cl 34a_100000765329_100011713710 [0,1,0,0,0,0|1,0,2]=4 1013 B16R1.119 C=CCCC(C)OCCc1cccc(c1)Cl 7a_100000765329_100011713710 [0,1,0,0,0,0|1,0,2]=4 1014 B16R1.119 C=CCCC(C)OCCc1cccc(c1)F 34a_100000765329_100011217235 [0,1,0,0,0,0|1,0,2]=4 1015 B16R1.119 C=CCCC(C)OCCc1cccc(c1)F 7a_100000765329_100011217235 [0,1,0,0,0,0|1,0,2]=4 1016 B16R1.119 CC(CCCCl)OCCc1cccc(c1)Br 34a_200000718107_100011740638 [0,1,0,0,0,0|2,0,0]=3 1017 B16R1.119 CC(CCCCl)OCCc1cccc(c1)Br 7a_200000718107_100011740638 [0,1,0,0,0,0|2,0,0]=3 1018 B16R1.119 CC(CCCCl)OCCc1cccc(c1)Cl 34a_200000718107_100011713710 [0,1,0,0,0,0|2,0,0]=3 1019 B16R1.119 CC(CCCCl)OCCc1cccc(c1)Cl 7a_200000718107_100011713710 [0,1,0,0,0,0|2,0,0]=3 1020 B16R1.119 CC(CCCCl)OCCc1cccc(c1)F 34a_200000718107_100011217235 [0,1,0,0,0,0|2,0,0]=3 1021 B16R1.119 CC(CCCCl)OCCc1cccc(c1)F 7a_200000718107_100011217235 [0,1,0,0,0,0|2,0,0]=3 1022 B16R1.119 CCC#CC(C)OCCc1cccc(c1)Br 34a_100000033903_100011740638 [0,1,0,0,0,0|1,0,1]=3 1023 B16R1.119 CCC#CC(C)OCCc1cccc(c1)Br 7a_100000033903_100011740638 [0,1,0,0,0,0|1,0,1]=3 1024 B16R1.119 CCC#CC(C)OCCc1cccc(c1)C 34a_100000033903_100011713685 [0,1,0,0,0,0|1,0,1]=3 1025 B16R1.119 CCC#CC(C)OCCc1cccc(c1)C 7a_100000033903_100011713685 [0,1,0,0,0,0|1,0,1]=3 1026 B16R1.119 CCC#CC(C)OCCc1cccc(c1)Cl 34a_100000033903_100011713710 [0,1,0,0,0,0|1,0,1]=3 1027 B16R1.119 CCC#CC(C)OCCc1cccc(c1)Cl 7a_100000033903_100011713710 [0,1,0,0,0,0|1,0,1]=3 1028 B16R1.119 CCC#CC(C)OCCc1cccc(c1)F 34a_100000033903_100011217235 [0,1,0,0,0,0|1,0,1]=3 1029 B16R1.119 CCC#CC(C)OCCc1cccc(c1)F 7a_100000033903_100011217235 [0,1,0,0,0,0|1,0,1]=3 1030 B16R1.119 CCCCC(C)COCc1cccc(c1)Br 34a_100011995851_100000698116 [0,1,0,0,0,0|3,0,0]=4 1031 B16R1.119 CCCCC(C)COCc1cccc(c1)Br 7a_100011995851_100000211773 [0,1,0,0,0,0|3,0,0]=4 1032 B16R1.119 CCCCC(C)COCc1cccc(c1)C 34a_100011995851_100000211840 [0,1,0,0,0,0|3,0,0]=4 1033 B16R1.119 CCCCC(C)COCc1cccc(c1)C 7a_100011995851_100000211840 [0,1,0,0,0,0|3,0,0]=4 1034 B16R1.119 CCCCC(C)COCc1cccc(c1)Cl 34a_100011995851_100000187163 [0,1,0,0,0,0|3,0,0]=4 1035 B16R1.119 CCCCC(C)COCc1cccc(c1)Cl 7a_100011995851_100000187163 [0,1,0,0,0,0|3,0,0]=4 1036 B16R1.119 CCCCC(C)COCc1cccc(c1)F 34a_100011995851_100000187166 [0,1,0,0,0,0|3,0,0]=4 1037 B16R1.119 CCCCC(C)COCc1cccc(c1)F 7a_100011995851_100000230114 [0,1,0,0,0,0|3,0,0]=4 1038 B16R1.119 CCCCC(C)COCc1cccc(c1)I 34a_100011995851_100011218688 [0,1,0,0,0,0|3,0,0]=4 1039 B16R1.119 CCCCC(C)COCc1cccc(c1)I 7a_100011995851_100011218688 [0,1,0,0,0,0|3,0,0]=4 1040 B16R1.119 CCCCC(C)COCc1cccc(c1)O 34a_100011995851_100011660834 [0,1,0,0,0,0|3,0,0]=4 1041 B16R1.119 CCCCC(C)COCc1cccc(c1)O 7a_100011995851_100000084143 [0,1,0,0,0,0|3,0,0]=4 1042 B16R1.119 CCCCC(C)NCCc1cccc(c1)Br 2230a_100000126638_100011740638 [0,1,0,0,0,0|2,0,0]=3 1043 B16R1.119 CCCCC(C)NCCc1cccc(c1)Br 2230a_100011207229_200011215066 [0,1,0,0,0,0|2,0,0]=3 1044 B16R1.119 CCCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000210087 [0,1,0,0,0,0|2,0,0]=3 1045 B16R1.119 CCCCC(C)NCCc1cccc(c1)Br 34a_100011207229_200011215066 [0,1,0,0,0,0|2,0,0]=3 1046 B16R1.119 CCCCC(C)NCCc1cccc(c1)C 2230a_100000126638_100011713685 [0,1,0,0,0,0|2,0,0]=3 1047 B16R1.119 CCCCC(C)NCCc1cccc(c1)C 2230a_100000749837_200011215066 [0,1,0,0,0,0|2,0,0]=3 1048 B16R1.119 CCCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000210087 [0,1,0,0,0,0|2,0,0]=3 1049 B16R1.119 CCCCC(C)NCCc1cccc(c1)C 34a_100000749837_200011215066 [0,1,0,0,0,0|2,0,0]=3 1050 B16R1.119 CCCCC(C)NCCc1cccc(c1)Cl 2230a_100000126638_100011713710 [0,1,0,0,0,0|2,0,0]=3 1051 B16R1.119 CCCCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_200011215066 [0,1,0,0,0,0|2,0,0]=3 1052 B16R1.119 CCCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000210087 [0,1,0,0,0,0|2,0,0]=3 1053 B16R1.119 CCCCC(C)NCCc1cccc(c1)Cl 34a_100000185263_200011215066 [0,1,0,0,0,0|2,0,0]=3 1054 B16R1.119 CCCCC(C)NCCc1cccc(c1)F 2230a_100000126638_100011217235 [0,1,0,0,0,0|2,0,0]=3 1055 B16R1.119 CCCCC(C)NCCc1cccc(c1)F 2230a_100000205154_200011215066 [0,1,0,0,0,0|2,0,0]=3 1056 B16R1.119 CCCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000210087 [0,1,0,0,0,0|2,0,0]=3 1057 B16R1.119 CCCCC(C)NCCc1cccc(c1)F 34a_100000205154_200011215066 [0,1,0,0,0,0|2,0,0]=3 1058 B16R1.119 CCCCC(C)NCCc1cccc(c1)O 2230a_100000747277_200011215066 [0,1,0,0,0,0|2,0,0]=3 1059 B16R1.119 CCCCC(C)NCCc1cccc(c1)O 34a_100000747277_200011215066 [0,1,0,0,0,0|2,0,0]=3 1060 B16R1.119 CCCCC(C)NCCc1cccc(n1)C 2230a_100011824523_200011215066 [0,1,0,0,0,0|3,0,0]=4 1061 B16R1.119 CCCCC(C)NCCc1cccc(n1)C 270004a_100011824523_100000210087 [0,1,0,0,0,0|3,0,0]=4 1062 B16R1.119 CCCCC(C)NCCc1cccc(n1)C 34a_100011824523_200011215066 [0,1,0,0,0,0|3,0,0]=4 1063 B16R1.119 CCCCC(C)OCCc1cccc(c1)Br 34a_100000687866_100011740638 [0,1,0,0,0,0|1,0,0]=2 1064 B16R1.119 CCCCC(C)OCCc1cccc(c1)Br 34a_100011217444_200011215066 [0,1,0,0,0,0|1,0,0]=2 1065 B16R1.119 CCCCC(C)OCCc1cccc(c1)Br 7a_100000687866_100011740638 [0,1,0,0,0,0|1,0,0]=2 1066 B16R1.119 CCCCC(C)OCCc1cccc(c1)Br 7a_100011217444_200011215066 [0,1,0,0,0,0|1,0,0]=2 1067 B16R1.119 CCCCC(C)OCCc1cccc(c1)C 34a_100000687866_100011713685 [0,1,0,0,0,0|1,0,0]=2 1068 B16R1.119 CCCCC(C)OCCc1cccc(c1)C 34a_100011217157_200011215066 [0,1,0,0,0,0|1,0,0]=2 1069 B16R1.119 CCCCC(C)OCCc1cccc(c1)C 7a_100000687866_100011713685 [0,1,0,0,0,0|1,0,0]=2 1070 B16R1.119 CCCCC(C)OCCc1cccc(c1)C 7a_100011217157_200011215066 [0,1,0,0,0,0|1,0,0]=2 1071 B16R1.119 CCCCC(C)OCCc1cccc(c1)Cl 34a_100000687866_100011713710 [0,1,0,0,0,0|1,0,0]=2 1072 B16R1.119 CCCCC(C)OCCc1cccc(c1)Cl 34a_100000754733_200011215066 [0,1,0,0,0,0|1,0,0]=2 1073 B16R1.119 CCCCC(C)OCCc1cccc(c1)Cl 7a_100000687866_100011713710 [0,1,0,0,0,0|1,0,0]=2 1074 B16R1.119 CCCCC(C)OCCc1cccc(c1)Cl 7a_100000754733_200011215066 [0,1,0,0,0,0|1,0,0]=2 1075 B16R1.119 CCCCC(C)OCCc1cccc(c1)F 34a_100000687866_100011217235 [0,1,0,0,0,0|1,0,0]=2 1076 B16R1.119 CCCCC(C)OCCc1cccc(c1)F 34a_100000763591_200011215066 [0,1,0,0,0,0|1,0,0]=2 1077 B16R1.119 CCCCC(C)OCCc1cccc(c1)F 7a_100000687866_100011217235 [0,1,0,0,0,0|1,0,0]=2 1078 B16R1.119 CCCCC(C)OCCc1cccc(c1)F 7a_100000763591_200011215066 [0,1,0,0,0,0|1,0,0]=2 1079 B16R1.119 CCCCC(C)OCCc1cccc(c1)N 34a_100011996697_200011215066 [0,1,0,0,0,0|1,0,0]=2 1080 B16R1.119 CCCCC(C)OCCc1cccc(n1)Br 34a_100010221043_200011215066 [0,1,0,0,0,0|2,0,0]=3 1081 B16R1.119 CCCCC(C)OCCc1cccc(n1)Br 7a_100010221043_200011215066 [0,1,0,0,0,0|2,0,0]=3 1082 B16R1.119 CCCCC(C)SCCc1cccc(c1)C 62a_100011713685_200011215066 [0,1,0,0,0,0|1,1,0]=3 1083 B16R1.119 CCCCC(C)SCCc1cccc(c1)C 62a_200011215066_100011713685 [0,1,0,0,0,0|1,1,0]=3 1084 B16R1.119 CCCCC(C)SCCc1cccc(c1)F 62a_100011217235_200011215066 [0,1,0,0,0,0|1,1,0]=3 1085 B16R1.119 CCCCC(C)SCCc1cccc(c1)F 62a_200011215066_100011217235 [0,1,0,0,0,0|1,1,0]=3 1086 B16R1.119 CCCCN(C)CCCc1cccc(c1)Br 2230a_100000207549_100011713683 [0,1,0,0,0,0|3,0,0]=4 1087 B16R1.119 CCCCN(C)CCCc1cccc(c1)Br 269982a_100000207549_100011713683 [0,1,0,0,0,0|3,0,0]=4 1088 B16R1.119 CCCCN(C)CCCc1cccc(c1)F 2230a_100000207549_200000698031 [0,1,0,0,0,0|3,0,0]=4 1089 B16R1.119 CCCCN(C)CCCc1cccc(c1)F 269982a_100000207549_200000698031 [0,1,0,0,0,0|3,0,0]=4 1090 B16R1.119 CCCOC(=O)OCNc1cccc(c1)Br 34a_100000210019_200000139673 [0,1,0,0,0,0|2,0,1]=4 1091 B16R1.119 CCCOC(=O)OCNc1cccc(c1)C 34a_100000188690_200000139673 [0,1,0,0,0,0|2,0,1]=4 1092 B16R1.119 CCCOC(=O)OCNc1cccc(c1)Cl 34a_100000185859_200000139673 [0,1,0,0,0,0|2,0,1]=4 1093 B16R1.119 CCCOC(=O)OCNc1cccc(c1)F 34a_100000210047_200000139673 [0,1,0,0,0,0|2,0,1]=4 1094 B16R1.119 CCCOC(=O)OCNc1cccc(c1)I 34a_100000211102_200000139673 [0,1,0,0,0,0|2,0,1]=4 1095 B16R1.119 CCCOC(=O)OCNc1cccc(c1)O 34a_100000210217_200000139673 [0,1,0,0,0,0|2,0,1]=4 1096 B16R1.119 CCCOC(=O)OCOc1cccc(c1)Br 34a_100000210342_200000139673 [0,1,0,0,0,0|2,0,1]=4 1097 B16R1.119 CCCOC(=O)OCOc1cccc(c1)Br 7a_100000210342_200000139673 [0,1,0,0,0,0|2,0,1]=4 1098 B16R1.119 CCCOC(=O)OCOc1cccc(c1)C 34a_100000210337_200000139673 [0,1,0,0,0,0|2,0,1]=4 1099 B16R1.119 CCCOC(=O)OCOc1cccc(c1)C 7a_100000210337_200000139673 [0,1,0,0,0,0|2,0,1]=4 1100 B16R1.119 CCCOC(=O)OCOc1cccc(c1)Cl 34a_100000210295_200000139673 [0,1,0,0,0,0|2,0,1]=4 1101 B16R1.119 CCCOC(=O)OCOc1cccc(c1)Cl 7a_100000210295_200000139673 [0,1,0,0,0,0|2,0,1]=4 1102 B16R1.119 CCCOC(=O)OCOc1cccc(c1)F 34a_100000210426_200000139673 [0,1,0,0,0,0|2,0,1]=4 1103 B16R1.119 CCCOC(=O)OCOc1cccc(c1)F 7a_100000210426_200000139673 [0,1,0,0,0,0|2,0,1]=4 1104 B16R1.119 CCCOC(=O)OCOc1cccc(c1)I 34a_100000211634_200000139673 [0,1,0,0,0,0|2,0,1]=4 1105 B16R1.119 CCCOC(=O)OCOc1cccc(c1)I 7a_100000211634_200000139673 [0,1,0,0,0,0|2,0,1]=4 1106 B16R1.119 CCCOC(=O)OCOc1cccc(c1)N 34a_100000210217_200000139673 [0,1,0,0,0,0|2,0,1]=4 1107 B16R1.119 CCCOC(=O)OCSc1cccc(c1)Br 62a_100000691529_200000139673 [0,1,0,0,0,0|2,0,1]=4 1108 B16R1.119 CCCOC(=O)OCSc1cccc(c1)C 62a_100011215228_200000139673 [0,1,0,0,0,0|2,0,1]=4 1109 B16R1.119 CCCOC(=O)OCSc1cccc(c1)Cl 62a_100000699651_200000139673 [0,1,0,0,0,0|2,0,1]=4 1110 B16R1.119 CCCOC(=O)OCSc1cccc(c1)F 62a_100000685547_200000139673 [0,1,0,0,0,0|2,0,1]=4 1111 B16R1.119 CCCOC(=O)OCSc1cccc(c1)N 62a_100000210019_200000139673 [0,1,0,0,0,0|2,0,1]=4 1112 B16R1.119 CCCOC(=O)OCSc1cccc(c1)[S] 62a_114929384022_200000139673 [0,1,0,0,0,0|2,0,1]=4 1113 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Br 2230a_100015185124_100010173614 [0,1,0,0,0,0|3,0,0]=4 1114 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Br 270004a_100015185124_100009818557 [0,1,0,0,0,0|3,0,0]=4 1115 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Br 34a_100015185124_100010173614 [0,1,0,0,0,0|3,0,0]=4 1116 B16R1.119 CCCOC(C)CNCc1cc(ccn1)C 207a_100015185124_100011361488 [0,1,0,0,0,0|3,0,0]=4 1117 B16R1.119 CCCOC(C)CNCc1cc(ccn1)C 2230a_100015185124_100000718516 [0,1,0,0,0,0|3,0,0]=4 1118 B16R1.119 CCCOC(C)CNCc1cc(ccn1)C 270004a_100015185124_100011361488 [0,1,0,0,0,0|3,0,0]=4 1119 B16R1.119 CCCOC(C)CNCc1cc(ccn1)C 34a_100015185124_100000718516 [0,1,0,0,0,0|3,0,0]=4 1120 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Cl 2230a_100015185124_100016988179 [0,1,0,0,0,0|3,0,0]=4 1121 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Cl 270004a_100015185124_100011998288 [0,1,0,0,0,0|3,0,0]=4 1122 B16R1.119 CCCOC(C)CNCc1cc(ccn1)Cl 34a_100015185124_100016988179 [0,1,0,0,0,0|3,0,0]=4 1123 B16R1.119 CCCOC(C)CNCc1cccc(=O)[nH]1 207a_100015185124_100011935257 [0,1,0,0,0,0|3,0,0]=4 1124 B16R1.119 CCCOC(C)CNCc1cccc(c1)Br 207a_100015185124_100000210085 [0,1,0,0,0,0|2,0,0]=3 1125 B16R1.119 CCCOC(C)CNCc1cccc(c1)Br 2230a_100015185124_100000698116 [0,1,0,0,0,0|2,0,0]=3 1126 B16R1.119 CCCOC(C)CNCc1cccc(c1)Br 26a_100015185124_100000210342 [0,1,0,0,0,0|2,0,0]=3 1127 B16R1.119 CCCOC(C)CNCc1cccc(c1)Br 270004a_100015185124_100000210085 [0,1,0,0,0,0|2,0,0]=3 1128 B16R1.119 CCCOC(C)CNCc1cccc(c1)Br 34a_100015185124_100000698116 [0,1,0,0,0,0|2,0,0]=3 1129 B16R1.119 CCCOC(C)CNCc1cccc(c1)C 207a_100015185124_100000211157 [0,1,0,0,0,0|2,0,0]=3 1130 B16R1.119 CCCOC(C)CNCc1cccc(c1)C 2230a_100015185124_100000211840 [0,1,0,0,0,0|2,0,0]=3 1131 B16R1.119 CCCOC(C)CNCc1cccc(c1)C 270004a_100015185124_100000211157 [0,1,0,0,0,0|2,0,0]=3 1132 B16R1.119 CCCOC(C)CNCc1cccc(c1)C 34a_100015185124_100000211840 [0,1,0,0,0,0|2,0,0]=3 1133 B16R1.119 CCCOC(C)CNCc1cccc(c1)Cl 207a_100015185124_100000210801 [0,1,0,0,0,0|2,0,0]=3 1134 B16R1.119 CCCOC(C)CNCc1cccc(c1)Cl 2230a_100015185124_100000181238 [0,1,0,0,0,0|2,0,0]=3 1135 B16R1.119 CCCOC(C)CNCc1cccc(c1)Cl 270004a_100015185124_100000210801 [0,1,0,0,0,0|2,0,0]=3 1136 B16R1.119 CCCOC(C)CNCc1cccc(c1)Cl 34a_100015185124_100000187163 [0,1,0,0,0,0|2,0,0]=3 1137 B16R1.119 CCCOC(C)CNCc1cccc(c1)F 207a_100015185124_100000210812 [0,1,0,0,0,0|2,0,0]=3 1138 B16R1.119 CCCOC(C)CNCc1cccc(c1)F 2230a_100015185124_100000230114 [0,1,0,0,0,0|2,0,0]=3 1139 B16R1.119 CCCOC(C)CNCc1cccc(c1)F 270004a_100015185124_100000210812 [0,1,0,0,0,0|2,0,0]=3 1140 B16R1.119 CCCOC(C)CNCc1cccc(c1)F 34a_100015185124_100000187166 [0,1,0,0,0,0|2,0,0]=3 1141 B16R1.119 CCCOC(C)CNCc1cccc(c1)I 207a_100015185124_100000014684 [0,1,0,0,0,0|2,0,0]=3 1142 B16R1.119 CCCOC(C)CNCc1cccc(c1)I 2230a_100015185124_100011218688 [0,1,0,0,0,0|2,0,0]=3 1143 B16R1.119 CCCOC(C)CNCc1cccc(c1)I 270004a_100015185124_100000014684 [0,1,0,0,0,0|2,0,0]=3 1144 B16R1.119 CCCOC(C)CNCc1cccc(c1)I 34a_100015185124_100011218688 [0,1,0,0,0,0|2,0,0]=3 1145 B16R1.119 CCCOC(C)CNCc1cccc(c1)O 207a_100015185124_100000188321 [0,1,0,0,0,0|2,0,0]=3 1146 B16R1.119 CCCOC(C)CNCc1cccc(c1)O 2230a_100015185124_100011660834 [0,1,0,0,0,0|2,0,0]=3 1147 B16R1.119 CCCOC(C)CNCc1cccc(c1)O 270004a_100015185124_100000188321 [0,1,0,0,0,0|2,0,0]=3 1148 B16R1.119 CCCOC(C)CNCc1cccc(c1)O 34a_100015185124_100011660834 [0,1,0,0,0,0|2,0,0]=3 1149 B16R1.119 CCCOC(C)CNCc1cccc(n1)Br 2230a_100015185124_100009889011 [0,1,0,0,0,0|3,0,0]=4 1150 B16R1.119 CCCOC(C)CNCc1cccc(n1)Br 270004a_100015185124_100000688028 [0,1,0,0,0,0|3,0,0]=4 1151 B16R1.119 CCCOC(C)CNCc1cccc(n1)Br 34a_100015185124_100009889011 [0,1,0,0,0,0|3,0,0]=4 1152 B16R1.119 CCCOC(C)CNCc1cccc(n1)C 207a_100015185124_100011215050 [0,1,0,0,0,0|3,0,0]=4 1153 B16R1.119 CCCOC(C)CNCc1cccc(n1)C 2230a_100015185124_100000757606 [0,1,0,0,0,0|3,0,0]=4 1154 B16R1.119 CCCOC(C)CNCc1cccc(n1)C 270004a_100015185124_100011215050 [0,1,0,0,0,0|3,0,0]=4 1155 B16R1.119 CCCOC(C)CNCc1cccc(n1)C 34a_100015185124_100000757606 [0,1,0,0,0,0|3,0,0]=4 1156 B16R1.119 CCCOC(C)CNCc1cccc(n1)Cl 2230a_100015185124_100000086093 [0,1,0,0,0,0|3,0,0]=4 1157 B16R1.119 CCCOC(C)CNCc1cccc(n1)Cl 270004a_100015185124_100011361687 [0,1,0,0,0,0|3,0,0]=4 1158 B16R1.119 CCCOC(C)CNCc1cccc(n1)Cl 34a_100015185124_100000086093 [0,1,0,0,0,0|3,0,0]=4 1159 B16R1.119 CCCOC(C)CNCc1cccc(n1)F 2230a_100015185124_100009819644 [0,1,0,0,0,0|3,0,0]=4 1160 B16R1.119 CCCOC(C)CNCc1cccc(n1)F 270004a_100015185124_100000050434 [0,1,0,0,0,0|3,0,0]=4 1161 B16R1.119 CCCOC(C)CNCc1cccc(n1)F 34a_100015185124_100009819644 [0,1,0,0,0,0|3,0,0]=4 1162 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Br 2230a_100015185124_100010243470 [0,1,0,0,0,0|3,0,0]=4 1163 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Br 270004a_100015185124_100009814634 [0,1,0,0,0,0|3,0,0]=4 1164 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Br 34a_100015185124_100010243470 [0,1,0,0,0,0|3,0,0]=4 1165 B16R1.119 CCCOC(C)CNCc1ccnc(c1)C 207a_100015185124_100011361630 [0,1,0,0,0,0|3,0,0]=4 1166 B16R1.119 CCCOC(C)CNCc1ccnc(c1)C 2230a_100015185124_200020672517 [0,1,0,0,0,0|3,0,0]=4 1167 B16R1.119 CCCOC(C)CNCc1ccnc(c1)C 270004a_100015185124_100011361630 [0,1,0,0,0,0|3,0,0]=4 1168 B16R1.119 CCCOC(C)CNCc1ccnc(c1)C 34a_100015185124_200020672517 [0,1,0,0,0,0|3,0,0]=4 1169 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Cl 2230a_100015185124_100000764220 [0,1,0,0,0,0|3,0,0]=4 1170 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Cl 270004a_100015185124_100011290808 [0,1,0,0,0,0|3,0,0]=4 1171 B16R1.119 CCCOC(C)CNCc1ccnc(c1)Cl 34a_100015185124_100000764220 [0,1,0,0,0,0|3,0,0]=4 1172 B16R1.119 CCCOC(C)CNCc1ccnc(c1)F 270004a_100015185124_100000068331 [0,1,0,0,0,0|3,0,0]=4 1173 B16R1.119 CCCOC(C)CNCc1ccnc(c1)O 207a_100015185124_100000688113 [0,1,0,0,0,0|3,0,0]=4 1174 B16R1.119 CCCOC(C)CNCc1cncc(c1)Br 207a_100015185124_100000687066 [0,1,0,0,0,0|3,0,0]=4 1175 B16R1.119 CCCOC(C)CNCc1cncc(c1)Br 2230a_100015185124_100000738771 [0,1,0,0,0,0|3,0,0]=4 1176 B16R1.119 CCCOC(C)CNCc1cncc(c1)Br 270004a_100015185124_100000687066 [0,1,0,0,0,0|3,0,0]=4 1177 B16R1.119 CCCOC(C)CNCc1cncc(c1)Br 34a_100015185124_100000738771 [0,1,0,0,0,0|3,0,0]=4 1178 B16R1.119 CCCOC(C)CNCc1cncc(c1)C 207a_100015185124_100011998712 [0,1,0,0,0,0|3,0,0]=4 1179 B16R1.119 CCCOC(C)CNCc1cncc(c1)C 2230a_100015185124_100000716715 [0,1,0,0,0,0|3,0,0]=4 1180 B16R1.119 CCCOC(C)CNCc1cncc(c1)C 270004a_100015185124_100011998712 [0,1,0,0,0,0|3,0,0]=4 1181 B16R1.119 CCCOC(C)CNCc1cncc(c1)C 34a_100015185124_100000716715 [0,1,0,0,0,0|3,0,0]=4 1182 B16R1.119 CCCOC(C)CNCc1cncc(c1)Cl 207a_100015185124_100000088910 [0,1,0,0,0,0|3,0,0]=4 1183 B16R1.119 CCCOC(C)CNCc1cncc(c1)Cl 2230a_100015185124_100016992070 [0,1,0,0,0,0|3,0,0]=4 1184 B16R1.119 CCCOC(C)CNCc1cncc(c1)Cl 270004a_100015185124_100000088910 [0,1,0,0,0,0|3,0,0]=4 1185 B16R1.119 CCCOC(C)CNCc1cncc(c1)Cl 34a_100015185124_100016992070 [0,1,0,0,0,0|3,0,0]=4 1186 B16R1.119 CCCOC(C)CNCc1cncc(c1)F 207a_100015185124_100011361476 [0,1,0,0,0,0|3,0,0]=4 1187 B16R1.119 CCCOC(C)CNCc1cncc(c1)F 2230a_100015185124_100000725299 [0,1,0,0,0,0|3,0,0]=4 1188 B16R1.119 CCCOC(C)CNCc1cncc(c1)F 270004a_100015185124_100011361476 [0,1,0,0,0,0|3,0,0]=4 1189 B16R1.119 CCCOC(C)CNCc1cncc(c1)F 34a_100015185124_100000725299 [0,1,0,0,0,0|3,0,0]=4 1190 B16R1.119 CCCOC(C)CNCc1cncc(c1)O 207a_100015185124_100012187055 [0,1,0,0,0,0|3,0,0]=4 1191 B16R1.119 CCCOC(C)CNCc1cncc(c1)O 270004a_100015185124_100012187055 [0,1,0,0,0,0|3,0,0]=4 1192 B16R1.119 CCOCC(C)OCCc1cccc(c1)Br 34a_100000718985_100011740638 [0,1,0,0,0,0|2,0,0]=3 1193 B16R1.119 CCOCC(C)OCCc1cccc(c1)Br 7a_100000718985_100011740638 [0,1,0,0,0,0|2,0,0]=3 1194 B16R1.119 CCOCC(C)OCCc1cccc(c1)C 34a_100000718985_100011713685 [0,1,0,0,0,0|2,0,0]=3 1195 B16R1.119 CCOCC(C)OCCc1cccc(c1)C 7a_100000718985_100011713685 [0,1,0,0,0,0|2,0,0]=3 1196 B16R1.119 CCOCC(C)OCCc1cccc(c1)Cl 34a_100000718985_100011713710 [0,1,0,0,0,0|2,0,0]=3 1197 B16R1.119 CCOCC(C)OCCc1cccc(c1)Cl 7a_100000718985_100011713710 [0,1,0,0,0,0|2,0,0]=3 1198 B16R1.119 CCOCC(C)OCCc1cccc(c1)F 34a_100000718985_100011217235 [0,1,0,0,0,0|2,0,0]=3 1199 B16R1.119 CCOCC(C)OCCc1cccc(c1)F 7a_100000718985_100011217235 [0,1,0,0,0,0|2,0,0]=3 1200 B16R1.119 CCSCC(C)NCCc1cccc(c1)Br 270004a_100011207229_200011216171 [0,1,0,0,0,0|3,0,0]=4 1201 B16R1.119 CCSCC(C)NCCc1cccc(c1)C 270004a_100000749837_200011216171 [0,1,0,0,0,0|3,0,0]=4 1202 B16R1.119 CCSCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_200011216171 [0,1,0,0,0,0|3,0,0]=4 1203 B16R1.119 CCSCC(C)NCCc1cccc(c1)F 270004a_100000205154_200011216171 [0,1,0,0,0,0|3,0,0]=4 1204 B16R1.119 COCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000742357 [0,1,0,0,0,0|3,0,0]=4 1205 B16R1.119 COCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000742357 [0,1,0,0,0,0|3,0,0]=4 1206 B16R1.119 COCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000742357 [0,1,0,0,0,0|3,0,0]=4 1207 B16R1.119 COCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000742357 [0,1,0,0,0,0|3,0,0]=4 1208 B16R1.119 COCO[C@H](C)COCc1cccc(c1)Br 34a_100016172286_100000698116 [0,1,0,0,0,0|3,0,0]=4 1209 B16R1.119 COCO[C@H](C)COCc1cccc(c1)Br 7a_100016172286_100000211773 [0,1,0,0,0,0|3,0,0]=4 1210 B16R1.119 COCO[C@H](C)COCc1cccc(c1)C 34a_100016172286_100000211840 [0,1,0,0,0,0|3,0,0]=4 1211 B16R1.119 COCO[C@H](C)COCc1cccc(c1)C 7a_100016172286_100000211840 [0,1,0,0,0,0|3,0,0]=4 1212 B16R1.119 COCO[C@H](C)COCc1cccc(c1)Cl 34a_100016172286_100000187163 [0,1,0,0,0,0|3,0,0]=4 1213 B16R1.119 COCO[C@H](C)COCc1cccc(c1)Cl 7a_100016172286_100000187163 [0,1,0,0,0,0|3,0,0]=4 1214 B16R1.119 COCO[C@H](C)COCc1cccc(c1)F 34a_100016172286_100000187166 [0,1,0,0,0,0|3,0,0]=4 1215 B16R1.119 COCO[C@H](C)COCc1cccc(c1)F 7a_100016172286_100000230114 [0,1,0,0,0,0|3,0,0]=4 1216 B16R1.119 COCO[C@H](C)COCc1cccc(c1)I 34a_100016172286_100011218688 [0,1,0,0,0,0|3,0,0]=4 1217 B16R1.119 COCO[C@H](C)COCc1cccc(c1)I 7a_100016172286_100011218688 [0,1,0,0,0,0|3,0,0]=4 1218 B16R1.119 COCO[C@H](C)COCc1cccc(c1)O 34a_100016172286_100011660834 [0,1,0,0,0,0|3,0,0]=4 1219 B16R1.119 COCO[C@H](C)COCc1cccc(c1)O 7a_100016172286_100000084143 [0,1,0,0,0,0|3,0,0]=4 1220 B16R1.119 CSCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011217047 [0,1,0,0,0,0|3,0,0]=4 1221 B16R1.119 CSCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011217047 [0,1,0,0,0,0|3,0,0]=4 1222 B16R1.119 CSCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011217047 [0,1,0,0,0,0|3,0,0]=4 1223 B16R1.119 CSCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011217047 [0,1,0,0,0,0|3,0,0]=4 1224 B16R1.119 Cc1cccc(c1)CCOC(C)CCCCl 34a_200000718107_100011713685 [0,1,0,0,0,0|2,0,0]=3 1225 B16R1.119 Cc1cccc(c1)CCOC(C)CCCCl 7a_200000718107_100011713685 [0,1,0,0,0,0|2,0,0]=3 1226 B16R1.700 C=CCCC(C)OCC(C)c1ccccc1 34a_100000765329_100000756946 [0,1,0,0,0,0|1,0,2]=4 1227 B16R1.700 C=CCCC(C)OCC(C)c1ccccc1 7a_100000765329_100000756946 [0,1,0,0,0,0|1,0,2]=4 1228 B16R1.700 C=CCCC(C)OCC(O)c1ccccc1 34a_100000765329_100000185958 [0,1,0,0,0,0|1,0,2]=4 1229 B16R1.700 C=CCCC(C)OCC(O)c1ccccc1 7a_100000765329_100000185958 [0,1,0,0,0,0|1,0,2]=4 1230 B16R1.700 C=CCCC(C)OC[C@@H](O)c1ccccc1 34a_100000765329_100011933945 [0,1,0,0,0,0|1,0,2]=4 1231 B16R1.700 C=CCCC(C)OC[C@@H](O)c1ccccc1 7a_100000765329_100011933945 [0,1,0,0,0,0|1,0,2]=4 1232 B16R1.700 CC(CCC(=O)c1ccccc1)OCCF 7a_200012571355_100011217306 [0,1,0,0,0,0|2,0,1]=4 1233 B16R1.700 CC(CCC(=O)c1ccccc1)OCCO 7a_200012571355_100000211926 [0,1,0,0,0,0|2,0,1]=4 1234 B16R1.700 CC(CCCCl)OCC(=O)c1ccccc1 7a_200000718107_100000211460 [0,1,0,0,0,0|2,0,1]=4 1235 B16R1.700 CC(CCCCl)OCC(C)c1ccccc1 34a_200000718107_100000756946 [0,1,0,0,0,0|2,0,0]=3 1236 B16R1.700 CC(CCCCl)OCC(C)c1ccccc1 7a_200000718107_100000756946 [0,1,0,0,0,0|2,0,0]=3 1237 B16R1.700 CC(CCCCl)OCC(O)c1ccccc1 34a_200000718107_100000185958 [0,1,0,0,0,0|2,0,0]=3 1238 B16R1.700 CC(CCCCl)OCC(O)c1ccccc1 7a_200000718107_100000185958 [0,1,0,0,0,0|2,0,0]=3 1239 B16R1.700 CC(CCCCl)OC[C@@H](O)c1ccccc1 34a_200000718107_100011933945 [0,1,0,0,0,0|2,0,0]=3 1240 B16R1.700 CC(CCCCl)OC[C@@H](O)c1ccccc1 7a_200000718107_100011933945 [0,1,0,0,0,0|2,0,0]=3 1241 B16R1.700 CCC#CC(C)OCC(=O)c1ccccc1 7a_100000033903_100000211460 [0,1,0,0,0,0|1,0,2]=4 1242 B16R1.700 CCC#CC(C)OCC(C)c1ccccc1 34a_100000033903_100000756946 [0,1,0,0,0,0|1,0,1]=3 1243 B16R1.700 CCC#CC(C)OCC(C)c1ccccc1 7a_100000033903_100000756946 [0,1,0,0,0,0|1,0,1]=3 1244 B16R1.700 CCC#CC(C)OCC(O)c1ccccc1 34a_100000033903_100000185958 [0,1,0,0,0,0|1,0,1]=3 1245 B16R1.700 CCC#CC(C)OCC(O)c1ccccc1 7a_100000033903_100000185958 [0,1,0,0,0,0|1,0,1]=3 1246 B16R1.700 CCC#CC(C)OC[C@@H](O)c1ccccc1 34a_100000033903_100011933945 [0,1,0,0,0,0|1,0,1]=3 1247 B16R1.700 CCC#CC(C)OC[C@@H](O)c1ccccc1 7a_100000033903_100011933945 [0,1,0,0,0,0|1,0,1]=3 1248 B16R1.700 CCCCC(C)COC(C)c1ccccc1 34a_100011995851_100000211855 [0,1,0,0,0,0|3,0,0]=4 1249 B16R1.700 CCCCC(C)COC(C)c1ccccc1 7a_100011995851_100000230085 [0,1,0,0,0,0|3,0,0]=4 1250 B16R1.700 CCCCC(C)NCC(C)c1ccccc1 2230a_100000126638_100000756946 [0,1,0,0,0,0|2,0,0]=3 1251 B16R1.700 CCCCC(C)NCC(C)c1ccccc1 2230a_100000701038_200011215066 [0,1,0,0,0,0|2,0,0]=3 1252 B16R1.700 CCCCC(C)NCC(C)c1ccccc1 270004a_100000126638_100000212034 [0,1,0,0,0,0|2,0,0]=3 1253 B16R1.700 CCCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000210087 [0,1,0,0,0,0|2,0,0]=3 1254 B16R1.700 CCCCC(C)NCC(C)c1ccccc1 34a_100000701038_200011215066 [0,1,0,0,0,0|2,0,0]=3 1255 B16R1.700 CCCCC(C)NCC(O)c1ccccc1 2230a_100000126638_100000185958 [0,1,0,0,0,0|2,0,0]=3 1256 B16R1.700 CCCCC(C)NCC(O)c1ccccc1 2230a_100000210709_200011215066 [0,1,0,0,0,0|2,0,0]=3 1257 B16R1.700 CCCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000210087 [0,1,0,0,0,0|2,0,0]=3 1258 B16R1.700 CCCCC(C)NCC(O)c1ccccn1 2230a_100000691469_200011215066 [0,1,0,0,0,0|3,0,0]=4 1259 B16R1.700 CCCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000210087 [0,1,0,0,0,0|3,0,0]=4 1260 B16R1.700 CCCCC(C)NCC(O)c1cccnc1 2230a_100020605170_200011215066 [0,1,0,0,0,0|3,0,0]=4 1261 B16R1.700 CCCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000210087 [0,1,0,0,0,0|3,0,0]=4 1262 B16R1.700 CCCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000126638_100011933945 [0,1,0,0,0,0|2,0,0]=3 1263 B16R1.700 CCCCC(C)OCC(=O)c1ccccc1 7a_100000687866_100000211460 [0,1,0,0,0,0|1,0,1]=3 1264 B16R1.700 CCCCC(C)OCC(=O)c1ccccn1 34a_100000687866_100000027445 [0,1,0,0,0,0|2,0,1]=4 1265 B16R1.700 CCCCC(C)OCC(=O)c1ccccn1 7a_100000687866_100000027445 [0,1,0,0,0,0|2,0,1]=4 1266 B16R1.700 CCCCC(C)OCC(=O)c1ccncc1 7a_100000687866_100015248511 [0,1,0,0,0,0|2,0,1]=4 1267 B16R1.700 CCCCC(C)OCC(C)c1ccccc1 34a_100000687866_100000756946 [0,1,0,0,0,0|1,0,0]=2 1268 B16R1.700 CCCCC(C)OCC(C)c1ccccc1 34a_100011215166_200011215066 [0,1,0,0,0,0|1,0,0]=2 1269 B16R1.700 CCCCC(C)OCC(C)c1ccccc1 7a_100000687866_100000756946 [0,1,0,0,0,0|1,0,0]=2 1270 B16R1.700 CCCCC(C)OCC(C)c1ccccc1 7a_100011215166_200011215066 [0,1,0,0,0,0|1,0,0]=2 1271 B16R1.700 CCCCC(C)OCC(O)c1ccccc1 34a_100000687866_100000185958 [0,1,0,0,0,0|1,0,0]=2 1272 B16R1.700 CCCCC(C)OCC(O)c1ccccc1 7a_100000687866_100000185958 [0,1,0,0,0,0|1,0,0]=2 1273 B16R1.700 CCCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_200011215066 [0,1,0,0,0,0|1,0,0]=2 1274 B16R1.700 CCCCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_200011215066 [0,1,0,0,0,0|2,0,0]=3 1275 B16R1.700 CCCCC(C)OC[C@@H](O)c1ccccc1 34a_100000687866_100011933945 [0,1,0,0,0,0|1,0,0]=2 1276 B16R1.700 CCCCC(C)OC[C@@H](O)c1ccccc1 7a_100000687866_100011933945 [0,1,0,0,0,0|1,0,0]=2 1277 B16R1.700 CCCCC(C)SCC(=O)c1ccccc1 62a_100000211460_200011215066 [0,1,0,0,0,0|1,1,1]=4 1278 B16R1.700 CCCCC(C)SCC(=O)c1ccccc1 62a_200011215066_100000211460 [0,1,0,0,0,0|1,1,1]=4 1279 B16R1.700 CCCCC(C)SCC(O)c1ccccc1 62a_100000185958_200011215066 [0,1,0,0,0,0|1,1,0]=3 1280 B16R1.700 CCCCC(C)SCC(O)c1ccccc1 62a_200011215066_100000185958 [0,1,0,0,0,0|1,1,0]=3 1281 B16R1.700 CCCCC(C)SCS(=O)c1ccccc1 62a_200011215066_100000031784 [0,1,0,0,0,0|2,1,0]=4 1282 B16R1.700 CCCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_200011215066 [0,1,0,0,0,0|1,1,0]=3 1283 B16R1.700 CCCCC(C)SC[C@@H](O)c1ccccc1 62a_200011215066_100011933945 [0,1,0,0,0,0|1,1,0]=3 1284 B16R1.700 CCCCN(C)CCC(C)c1ccccc1 270004a_100000207549_100000189432 [0,1,0,0,0,0|3,0,0]=4 1285 B16R1.700 CCCCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210211 [0,1,0,0,0,0|3,0,0]=4 1286 B16R1.700 CCCCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210211 [0,1,0,0,0,0|3,0,0]=4 1287 B16R1.700 CCCCN(C)CC[C@@H](O)c1ccccc1 2230a_100000207549_100000729684 [0,1,0,0,0,0|3,0,0]=4 1288 B16R1.700 CCCCN(C)CC[C@@H](O)c1ccccc1 269982a_100000207549_100000729684 [0,1,0,0,0,0|3,0,0]=4 1289 B16R1.700 CCCOC(=O)OCC(=O)c1ccccc1 1458a_100000185807_200000139673 [0,1,0,0,0,0|1,0,2]=4 1290 B16R1.700 CCCOC(=O)OCN(C)c1ccccc1 269982a_100000210012_200000139673 [0,1,0,0,0,0|2,0,1]=4 1291 B16R1.700 CCCOC(=O)OCN(C)c1ccccc1 34a_100000210012_200000139673 [0,1,0,0,0,0|2,0,1]=4 1292 B16R1.700 CCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210303 [0,1,0,0,0,0|1,0,1]=3 1293 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 11a_100015185124_100000185807 [0,1,0,0,0,0|2,0,1]=4 1294 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 1626a_100015185124_100000185807 [0,1,0,0,0,0|2,0,1]=4 1295 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 240690a_100015185124_100000185807 [0,1,0,0,0,0|2,0,1]=4 1296 B16R1.700 CCCOC(C)CNC(=O)c1ccccc1 527a_100015185124_100000185807 [0,1,0,0,0,0|2,0,1]=4 1297 B16R1.700 CCCOC(C)CNC(C)c1ccccc1 2230a_100015185124_100000230085 [0,1,0,0,0,0|2,0,0]=3 1298 B16R1.700 CCCOC(C)CNC(C)c1ccccc1 269862a_100015185124_100000185851 [0,1,0,0,0,0|2,0,0]=3 1299 B16R1.700 CCCOC(C)CNC(C)c1ccccc1 34a_100015185124_100000211855 [0,1,0,0,0,0|2,0,0]=3 1300 B16R1.700 CCCOC(C)CNC(C)c1ccccn1 269862a_100015185124_100000210467 [0,1,0,0,0,0|3,0,0]=4 1301 B16R1.700 CCCOC(C)CNC(C)c1cccnc1 269862a_100015185124_100000210468 [0,1,0,0,0,0|3,0,0]=4 1302 B16R1.700 CCCOC(C)CNC(C)c1ccncc1 269862a_100015185124_100000185792 [0,1,0,0,0,0|3,0,0]=4 1303 B16R1.700 CCOCC(C)OCC(=O)c1ccccc1 7a_100000718985_100000211460 [0,1,0,0,0,0|2,0,1]=4 1304 B16R1.700 CCOCC(C)OCC(C)c1ccccc1 34a_100000718985_100000756946 [0,1,0,0,0,0|2,0,0]=3 1305 B16R1.700 CCOCC(C)OCC(C)c1ccccc1 7a_100000718985_100000756946 [0,1,0,0,0,0|2,0,0]=3 1306 B16R1.700 CCOCC(C)OCC(O)c1ccccc1 34a_100000718985_100000185958 [0,1,0,0,0,0|2,0,0]=3 1307 B16R1.700 CCOCC(C)OCC(O)c1ccccc1 7a_100000718985_100000185958 [0,1,0,0,0,0|2,0,0]=3 1308 B16R1.700 CCOCC(C)OC[C@@H](O)c1ccccc1 34a_100000718985_100011933945 [0,1,0,0,0,0|2,0,0]=3 1309 B16R1.700 CCOCC(C)OC[C@@H](O)c1ccccc1 7a_100000718985_100011933945 [0,1,0,0,0,0|2,0,0]=3 1310 B16R1.700 CCSCC(C)NCC(C)c1ccccc1 270004a_100000701038_200011216171 [0,1,0,0,0,0|3,0,0]=4 1311 B16R1.700 CCSCC(C)NCC(O)c1ccccc1 270004a_100000210709_200011216171 [0,1,0,0,0,0|3,0,0]=4 1312 B16R1.700 COCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000742357 [0,1,0,0,0,0|3,0,0]=4 1313 B16R1.700 COCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000742357 [0,1,0,0,0,0|3,0,0]=4 1314 B16R1.700 COCO[C@H](C)COC(C)c1ccccc1 34a_100016172286_100000211855 [0,1,0,0,0,0|3,0,0]=4 1315 B16R1.700 COCO[C@H](C)COC(C)c1ccccc1 7a_100016172286_100000230085 [0,1,0,0,0,0|3,0,0]=4 1316 B16R1.700 CSCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011217047 [0,1,0,0,0,0|3,0,0]=4 1317 B16R1.700 CSCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011217047 [0,1,0,0,0,0|3,0,0]=4 1318 B16R1.849 C#C[C@@H](C)OC(C)CCCc1ccccc1 34a_100009815206_200010759516 [0,1,0,0,0,0|1,0,2]=4 1319 B16R1.849 C#C[C@@H](C)OC(C)CCCc1ccccc1 7a_100009815206_200010759516 [0,1,0,0,0,0|1,0,2]=4 1320 B16R1.849 C=CC(C)OC(C)CCCc1ccccc1 34a_100000695699_200010759516 [0,1,0,0,0,0|1,0,2]=4 1321 B16R1.849 CC(C#N)OC(C)CCCc1ccccc1 34a_100011218135_200010759516 [0,1,0,0,0,0|2,0,1]=4 1322 B16R1.849 CC(CCCc1ccccc1)N[C@H](C)CO 2230a_100000737577_200010759516 [0,1,0,0,0,0|3,0,0]=4 1323 B16R1.849 CC(CCCc1ccccc1)S[C@H](C)CO 62a_100016084084_200010759516 [0,1,0,0,0,0|2,1,0]=4 1324 B16R1.849 CC(CCCc1ccccc1)S[C@H](C)CO 62a_200010759516_100016084084 [0,1,0,0,0,0|2,1,0]=4 1325 B16R1.849 CC(CF)OC(C)CCCc1ccccc1 34a_100016041109_200010759516 [0,1,0,0,0,0|2,0,0]=3 1326 B16R1.849 CC(CF)OC(C)CCCc1ccccc1 7a_100016041109_200010759516 [0,1,0,0,0,0|2,0,0]=3 1327 B16R1.849 CC(CN)OC(C)CCCc1ccccc1 34a_100000210904_200010759516 [0,1,0,0,0,0|2,0,0]=3 1328 B16R1.849 CC(CO)OC(C)COCc1ccccc1 34a_100000764311_100012180447 [0,1,0,0,0,0|3,0,0]=4 1329 B16R1.849 CC(CO)OC(C)COCc1ccccc1 7a_100000764311_100012180447 [0,1,0,0,0,0|3,0,0]=4 1330 B16R1.849 CC(CO)SC(C)CCCc1ccccc1 62a_100012180447_200010759516 [0,1,0,0,0,0|2,1,0]=4 1331 B16R1.849 CCC(C)CC(C)NCCc1ccccc1 2230a_100000763565_100000765856 [0,1,0,0,0,0|2,0,0]=3 1332 B16R1.849 CCC(C)CC(C)NCCc1ccccc1 270004a_100000106460_100011710205 [0,1,0,0,0,0|2,0,0]=3 1333 B16R1.849 CCC(C)CC(C)NCCc1ccccn1 2230a_100000763565_100015183660 [0,1,0,0,0,0|3,0,0]=4 1334 B16R1.849 CCC(C)CC(C)NCCc1ccccn1 270004a_100000211156_100011710205 [0,1,0,0,0,0|3,0,0]=4 1335 B16R1.849 CCC(C)CC(C)NCCc1cccnc1 2230a_100000763565_200011713674 [0,1,0,0,0,0|3,0,0]=4 1336 B16R1.849 CCC(C)CC(C)NCCc1cccnc1 270004a_100000736294_100011710205 [0,1,0,0,0,0|3,0,0]=4 1337 B16R1.849 CCC(C)CC(C)NCCc1ccncc1 2230a_100000763565_100000723409 [0,1,0,0,0,0|3,0,0]=4 1338 B16R1.849 CCC(C)CC(C)NCCc1ccncc1 270004a_100000742849_100011710205 [0,1,0,0,0,0|3,0,0]=4 1339 B16R1.849 CCC(C)CC(C)NCSc1ccccc1 2230a_100000763565_100011218342 [0,1,0,0,0,0|3,0,0]=4 1340 B16R1.849 CCC(C)CN(C)CCCc1ccccc1 2230a_100000693637_100000748023 [0,1,0,0,0,0|3,0,0]=4 1341 B16R1.849 CCC(C)CN(C)CCCc1ccccc1 2230a_100000753921_100000211621 [0,1,0,0,0,0|3,0,0]=4 1342 B16R1.849 CCC(C)CN(C)CCCc1ccccc1 269982a_100000693637_100000748023 [0,1,0,0,0,0|3,0,0]=4 1343 B16R1.849 CCC(C)CN(C)CCCc1ccccc1 269982a_100000753921_100000211621 [0,1,0,0,0,0|3,0,0]=4 1344 B16R1.849 CCC(C)CN(C)CCCc1ccccc1 270004a_100000693637_100000243153 [0,1,0,0,0,0|3,0,0]=4 1345 B16R1.849 CCC(C)NC(C)CCCc1ccccc1 2230a_100000209981_200010759516 [0,1,0,0,0,0|2,0,0]=3 1346 B16R1.849 CCC(C)NC(C)COCc1ccccc1 270004a_100000209981_100011215004 [0,1,0,0,0,0|3,0,0]=4 1347 B16R1.849 CCC(C)NC(C)CSCc1ccccc1 270004a_100000209981_100000172147 [0,1,0,0,0,0|3,0,0]=4 1348 B16R1.849 CCC(C)OC(C)CCCc1ccccc1 7a_100000210228_200010759516 [0,1,0,0,0,0|1,0,0]=2 1349 B16R1.849 CCC(C)OC(C)COCc1ccccc1 34a_100000764311_100011215416 [0,1,0,0,0,0|2,0,0]=3 1350 B16R1.849 CCC(C)OC(C)COCc1ccccc1 7a_100000764311_100000758301 [0,1,0,0,0,0|2,0,0]=3 1351 B16R1.849 CCC(C)SC(C)CCCc1ccccc1 62a_100000758301_200010759516 [0,1,0,0,0,0|1,1,0]=3 1352 B16R1.849 CCC(C)SC(C)CCCc1ccccc1 62a_200010759516_100000758301 [0,1,0,0,0,0|1,1,0]=3 1353 B16R1.849 CCC(O)CN(C)CCCc1ccccc1 2230a_100000693637_100011218378 [0,1,0,0,0,0|3,0,0]=4 1354 B16R1.849 CCC(O)CN(C)CCCc1ccccc1 269982a_100000693637_100011218378 [0,1,0,0,0,0|3,0,0]=4 1355 B16R1.849 CC[C@H](C)CN(C)CCCc1ccccc1 2230a_100000693637_100009816398 [0,1,0,0,0,0|3,0,0]=4 1356 B16R1.849 CC[C@H](C)CN(C)CCCc1ccccc1 269982a_100000693637_100009816398 [0,1,0,0,0,0|3,0,0]=4 1357 B16R1.849 COC(=O)CC(C)OCCc1ccccc1 34a_100000210268_100009817358 [0,1,0,0,0,0|2,0,1]=4 1358 B16R1.849 COC(=O)CC(C)OCCc1ccccc1 7a_100000210268_100009817358 [0,1,0,0,0,0|2,0,1]=4 1359 B16R1.849 COC(C)SC(C)CCCc1ccccc1 62a_100009879195_200010759516 [0,1,0,0,0,0|2,1,0]=4 1360 B16R1.849 COC(C)SC(C)CCCc1ccccc1 62a_200010759516_100009879195 [0,1,0,0,0,0|2,1,0]=4 1361 B16R1.1497 C=CCCC(C)OC(C)Cc1ccccc1 34a_100000765329_200011218536 [0,1,0,0,0,0|1,0,2]=4 1362 B16R1.1497 C=CCCC(C)OC(C)Cc1ccccc1 7a_100000765329_200011218536 [0,1,0,0,0,0|1,0,2]=4 1363 B16R1.1497 CC(CCCCl)OC(C)Cc1ccccc1 34a_200000718107_200011218536 [0,1,0,0,0,0|2,0,0]=3 1364 B16R1.1497 CC(CCCCl)OC(C)Cc1ccccc1 7a_200000718107_200011218536 [0,1,0,0,0,0|2,0,0]=3 1365 B16R1.1497 CCC#CC(C)OC(C)Cc1ccccc1 34a_100000033903_200011218536 [0,1,0,0,0,0|1,0,1]=3 1366 B16R1.1497 CCC#CC(C)OC(C)Cc1ccccc1 7a_100000033903_200011218536 [0,1,0,0,0,0|1,0,1]=3 1367 B16R1.1497 CCCCC(C)NC(C)C[n+]1ccccc1 270004a_100000126638_100000034229 [0,1,0,0,0,0|3,0,0]=4 1368 B16R1.1497 CCCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_200011215066 [0,1,0,0,0,0|3,0,0]=4 1369 B16R1.1497 CCCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000210087 [0,1,0,0,0,0|3,0,0]=4 1370 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_200011215066 [0,1,0,0,0,0|3,0,0]=4 1371 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 270004a_100000126638_100015187140 [0,1,0,0,0,0|3,0,0]=4 1372 B16R1.1497 CCCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000210087 [0,1,0,0,0,0|3,0,0]=4 1373 B16R1.1497 CCCCC(C)NC(C)Cc1ccncc1 270004a_100000126638_100000238508 [0,1,0,0,0,0|3,0,0]=4 1374 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 34a_100000687866_200011218536 [0,1,0,0,0,0|1,0,0]=2 1375 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 34a_100000748627_200011215066 [0,1,0,0,0,0|1,0,0]=2 1376 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 7a_100000687866_200011218536 [0,1,0,0,0,0|1,0,0]=2 1377 B16R1.1497 CCCCC(C)OC(C)Cc1ccccc1 7a_100000748627_200011215066 [0,1,0,0,0,0|1,0,0]=2 1378 B16R1.1497 CCCCC(C)SC(C)Cc1ccccc1 62a_200011215066_200011218536 [0,1,0,0,0,0|1,1,0]=3 1379 B16R1.1497 CCCCC(C)SC(C)Cc1ccccc1 62a_200011218536_200011215066 [0,1,0,0,0,0|1,1,0]=3 1380 B16R1.1497 CCCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000207549_100000729385 [0,1,0,0,0,0|3,0,0]=4 1381 B16R1.1497 CCCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000207549_100000729385 [0,1,0,0,0,0|3,0,0]=4 1382 B16R1.1497 CCOCC(C)OC(C)Cc1ccccc1 34a_100000718985_200011218536 [0,1,0,0,0,0|2,0,0]=3 1383 B16R1.1497 CCOCC(C)OC(C)Cc1ccccc1 7a_100000718985_200011218536 [0,1,0,0,0,0|2,0,0]=3 1384 B16R1.1516 CC(OCCBr)C(=O)NCc1ccccc1 34a_100000211926_200011934207 [0,1,0,0,0,0|3,0,0]=4 1385 B16R1.1516 CC(OCCN)C(=O)NCc1ccccc1 34a_100000210304_200011934207 [0,1,0,0,0,0|3,0,0]=4 1386 B16R1.1516 CCC/C=C(\C)/C(=O)CCc1ccccc1 1458a_200020648666_100000765856 [0,1,0,0,0,0|2,0,1]=4 1387 B16R1.1516 CCCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_200011215066 [0,1,0,0,0,0|2,0,0]=3 1388 B16R1.1516 CCCCC(C)C(=O)CCc1ccccc1 1458a_100000725509_100000765856 [0,1,0,0,0,0|2,0,0]=3 1389 B16R1.1516 CCCCC(C)C(=O)CCc1ccccn1 1458a_100000725509_100015183660 [0,1,0,0,0,0|3,0,0]=4 1390 B16R1.1516 CCCCC(C)C(=O)CCc1ccccn1 1458a_100015195070_200011215066 [0,1,0,0,0,0|3,0,0]=4 1391 B16R1.1516 CCCCC(C)C(=O)CCc1cccnc1 1458a_100000198484_200011215066 [0,1,0,0,0,0|3,0,0]=4 1392 B16R1.1516 CCCCC(C)C(=O)CCc1cccnc1 1458a_100000725509_200011713674 [0,1,0,0,0,0|3,0,0]=4 1393 B16R1.1516 CCCCC(C)C(=O)CCc1ccncc1 1458a_100000725509_100000723409 [0,1,0,0,0,0|3,0,0]=4 1394 B16R1.1516 CCCCC(C)C(=O)CCc1ccncc1 1458a_100011225043_200011215066 [0,1,0,0,0,0|3,0,0]=4 1395 B16R1.1516 CCCCC(C)C(=O)COc1ccccc1 1458a_100000186222_200011215066 [0,1,0,0,0,0|3,0,0]=4 1396 B16R1.1516 CCCCC(C)C(=O)CSc1ccccc1 1458a_100000211596_200011215066 [0,1,0,0,0,0|3,0,0]=4 1397 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 11a_100015324214_100000725509 [0,1,0,0,0,0|3,0,0]=4 1398 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000725509 [0,1,0,0,0,0|3,0,0]=4 1399 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000725509 [0,1,0,0,0,0|3,0,0]=4 1400 B16R1.1516 CCCCC(C)C(=O)NCc1ccccc1 527a_100015324214_100000725509 [0,1,0,0,0,0|3,0,0]=4 1401 B16R1.1516 CCCCC(C)N(C)CCc1ccccc1 2230a_100000207497_200011215066 [0,1,0,0,0,0|2,0,0]=3 1402 B16R1.1516 CCCCC(C)N(C)CCc1ccccc1 269982a_100000207497_200011215066 [0,1,0,0,0,0|2,0,0]=3 1403 B16R1.1516 CCCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000210087 [0,1,0,0,0,0|2,0,0]=3 1404 B16R1.1516 CCCCC(C)N(C)CCc1ccccn1 2230a_100000737206_200011215066 [0,1,0,0,0,0|3,0,0]=4 1405 B16R1.1516 CCCCC(C)N(C)CCc1ccccn1 269982a_100000737206_200011215066 [0,1,0,0,0,0|3,0,0]=4 1406 B16R1.1516 CCCCC(C)N(C)CCc1ccccn1 270004a_100000737206_100000210087 [0,1,0,0,0,0|3,0,0]=4 1407 B16R1.1516 CCCCC(C)N(C)CCc1cccnc1 2230a_100000763209_200011215066 [0,1,0,0,0,0|3,0,0]=4 1408 B16R1.1516 CCCCC(C)N(C)CCc1cccnc1 269982a_100000763209_200011215066 [0,1,0,0,0,0|3,0,0]=4 1409 B16R1.1516 CCCCC(C)N(C)CCc1cccnc1 270004a_100000763209_100000210087 [0,1,0,0,0,0|3,0,0]=4 1410 B16R1.1516 CCCCC(C)N(C)CCc1ccncc1 2230a_100000742850_200011215066 [0,1,0,0,0,0|3,0,0]=4 1411 B16R1.1516 CCCCC(C)N(C)CCc1ccncc1 269982a_100000742850_200011215066 [0,1,0,0,0,0|3,0,0]=4 1412 B16R1.1516 CCCCC(C)N(C)CCc1ccncc1 270004a_100000742850_100000210087 [0,1,0,0,0,0|3,0,0]=4 1413 B16R1.1516 CCCCC(O)C(=O)CCc1ccccc1 1458a_100000720857_100000765856 [0,1,0,0,0,0|3,0,0]=4 1414 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 11a_100000207549_100000185753 [0,1,0,0,0,0|3,0,0]=4 1415 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 1626a_100000207549_100000185753 [0,1,0,0,0,0|3,0,0]=4 1416 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 240690a_100000207549_100000185753 [0,1,0,0,0,0|3,0,0]=4 1417 B16R1.1516 CCCCN(C)C(=O)CCc1ccccc1 527a_100000207549_100000185753 [0,1,0,0,0,0|3,0,0]=4 1418 B16R1.1516 CCCCN(C)C(C)CCc1ccccc1 270004a_100000207549_100000210092 [0,1,0,0,0,0|3,0,0]=4 1419 B16R1.1516 CCCNC(C)C(=O)NCc1ccccc1 2230a_100000744559_100000210303 [0,1,0,0,0,0|3,0,0]=4 1420 B16R1.1516 CCCNC(C)C(=O)NCc1ccccc1 34a_100000744559_100000210303 [0,1,0,0,0,0|3,0,0]=4 1421 B16R1.1516 CCCOC(C)C(=O)NCc1ccccc1 34a_100000210258_200011934207 [0,1,0,0,0,0|2,0,0]=3 1422 B16R1.1516 CCCOC(F)C(=O)OCc1ccccc1 34a_100000210258_100000036447 [0,1,0,0,0,0|3,0,0]=4 1423 B16R1.1516 CCCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210303 [0,1,0,0,0,0|2,0,0]=3 1424 B16R1.1516 CCCSC(C)C(=O)NCc1ccccc1 62a_100000183842_100000210303 [0,1,0,0,0,0|2,1,0]=4 1425 B16R1.1516 CCCSC(C)C(=O)NCc1ccccc1 62a_100000210303_100000183842 [0,1,0,0,0,0|2,1,0]=4 1426 B16R1.1516 CCSCC(C)N(C)CCc1ccccc1 270004a_100000207497_200011216171 [0,1,0,0,0,0|3,0,0]=4 1427 B16R1.1516 COCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000742357 [0,1,0,0,0,0|3,0,0]=4 1428 B16R1.1516 CSCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011217047 [0,1,0,0,0,0|3,0,0]=4 1429 B16R1.1516 C[C@H](OCCF)C(=O)OCc1ccccc1 7a_100016105899_100011217306 [0,1,0,0,0,0|3,0,0]=4 1430 B16R1.1516 C[C@H](OCCO)C(=O)OCc1ccccc1 7a_100016105899_100000211926 [0,1,0,0,0,0|3,0,0]=4 1431 B16R1.1694 C#CCCNC(C)CCCc1ccccc1 34a_100000755551_200010759516 [0,1,0,0,0,0|2,0,1]=4 1432 B16R1.1694 C#CCCOC(C)CCCc1ccccc1 34a_100011215631_200010759516 [0,1,0,0,0,0|1,0,1]=3 1433 B16R1.1694 C#CCCOC(C)COCc1ccccc1 34a_100000764311_100000688953 [0,1,0,0,0,0|2,0,1]=4 1434 B16R1.1694 C#CCCOC(C)COCc1ccccc1 7a_100000764311_100000688953 [0,1,0,0,0,0|2,0,1]=4 1435 B16R1.1694 C#CCCSC(C)CCCc1ccccc1 62a_100000688953_200010759516 [0,1,0,0,0,0|1,1,1]=4 1436 B16R1.1694 C#CCCSC(C)CCCc1ccccc1 62a_200010759516_100000688953 [0,1,0,0,0,0|1,1,1]=4 1437 B16R1.1694 C#CCOCC(C)OCCc1ccccc1 34a_100011025554_100000765856 [0,1,0,0,0,0|0,0,2]=3 1438 B16R1.1694 C#CCOCC(C)OCCc1ccccc1 7a_100011025554_100000765856 [0,1,0,0,0,0|0,0,2]=3 1439 B16R1.1694 C#CCOCC(C)OCCc1ccccn1 7a_100011025554_100015183660 [0,1,0,0,0,0|1,0,2]=4 1440 B16R1.1694 C#CCOCC(C)OCCc1cccnc1 7a_100011025554_200011713674 [0,1,0,0,0,0|1,0,2]=4 1441 B16R1.1694 C#CCOCC(C)OCCc1ccncc1 7a_100011025554_100000723409 [0,1,0,0,0,0|1,0,2]=4 1442 B16R1.1694 C/C=C/COC(C)CCCc1ccccc1 34a_100016270725_200010759516 [0,1,0,0,0,0|1,0,1]=3 1443 B16R1.1694 C/C=C/COC(C)COCc1ccccc1 34a_100000764311_100102629194 [0,1,0,0,0,0|2,0,1]=4 1444 B16R1.1694 C/C=C/COC(C)COCc1ccccc1 7a_100000764311_100102629194 [0,1,0,0,0,0|2,0,1]=4 1445 B16R1.1694 C/C=C/CSC(C)CCCc1ccccc1 62a_100102629194_200010759516 [0,1,0,0,0,0|1,1,1]=4 1446 B16R1.1694 C/C=C/CSC(C)CCCc1ccccc1 62a_200010759516_100102629194 [0,1,0,0,0,0|1,1,1]=4 1447 B16R1.1694 C=CCCNC(C)CCCc1ccccc1 2230a_100015191253_200010759516 [0,1,0,0,0,0|2,0,1]=4 1448 B16R1.1694 C=CCCOC(C)CCCc1ccccc1 34a_100011205117_200010759516 [0,1,0,0,0,0|1,0,1]=3 1449 B16R1.1694 C=CCCOC(C)COCc1ccccc1 34a_100000764311_100000754431 [0,1,0,0,0,0|2,0,1]=4 1450 B16R1.1694 C=CCCOC(C)COCc1ccccc1 7a_100000764311_100000754431 [0,1,0,0,0,0|2,0,1]=4 1451 B16R1.1694 C=CCCSC(C)CCCc1ccccc1 62a_100000754431_200010759516 [0,1,0,0,0,0|1,1,1]=4 1452 B16R1.1694 C=CCCSC(C)CCCc1ccccc1 62a_200010759516_100000754431 [0,1,0,0,0,0|1,1,1]=4 1453 B16R1.1694 CC#CCNC(C)CCCc1ccccc1 2230a_100000685387_200010759516 [0,1,0,0,0,0|2,0,1]=4 1454 B16R1.1694 CC#CCNC(C)CCCc1ccccc1 34a_100000685387_200010759516 [0,1,0,0,0,0|2,0,1]=4 1455 B16R1.1694 CC#CCOC(C)CCCc1ccccc1 34a_100000761923_200010759516 [0,1,0,0,0,0|1,0,1]=3 1456 B16R1.1694 CC#CCOC(C)COCc1ccccc1 34a_100000764311_100000748600 [0,1,0,0,0,0|2,0,1]=4 1457 B16R1.1694 CC#CCOC(C)COCc1ccccc1 7a_100000764311_100000748600 [0,1,0,0,0,0|2,0,1]=4 1458 B16R1.1694 CC#CCSC(C)CCCc1ccccc1 62a_100000748600_200010759516 [0,1,0,0,0,0|1,1,1]=4 1459 B16R1.1694 CC#CCSC(C)CCCc1ccccc1 62a_200010759516_100000748600 [0,1,0,0,0,0|1,1,1]=4 1460 B16R1.1694 CC(CCCC#N)NCCc1ccccc1 270004a_100000106460_200000032708 [0,1,0,0,0,0|2,0,1]=4 1461 B16R1.1694 CC(CCCc1ccccc1)NCCCF 2230a_100015189416_200010759516 [0,1,0,0,0,0|2,0,0]=3 1462 B16R1.1694 CC(CCCc1ccccc1)NCCCF 34a_100015189416_200010759516 [0,1,0,0,0,0|2,0,0]=3 1463 B16R1.1694 CC(CCCc1ccccc1)OCCCBr 34a_100011217188_200010759516 [0,1,0,0,0,0|1,0,0]=2 1464 B16R1.1694 CC(CCCc1ccccc1)OCCCCl 34a_100000230001_200010759516 [0,1,0,0,0,0|1,0,0]=2 1465 B16R1.1694 CC(CCCc1ccccc1)OCCCF 34a_100000759539_200010759516 [0,1,0,0,0,0|1,0,0]=2 1466 B16R1.1694 CC(CCCc1ccccc1)OCCCN 34a_100000182051_200010759516 [0,1,0,0,0,0|1,0,0]=2 1467 B16R1.1694 CC(CCCc1ccccc1)OCCON 34a_100000700252_200010759516 [0,1,0,0,0,0|2,0,0]=3 1468 B16R1.1694 CC(CCCc1ccccc1)SCCC#N 62a_100011215226_200010759516 [0,1,0,0,0,0|1,1,1]=4 1469 B16R1.1694 CC(CCCc1ccccc1)SCCC#N 62a_200010759516_100011215226 [0,1,0,0,0,0|1,1,1]=4 1470 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_100011934791_200010759516 [0,1,0,0,0,0|1,1,0]=3 1471 B16R1.1694 CC(CCCc1ccccc1)SCCCF 62a_200010759516_100011934791 [0,1,0,0,0,0|1,1,0]=3 1472 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_100011215043_200010759516 [0,1,0,0,0,0|1,1,0]=3 1473 B16R1.1694 CC(CCCc1ccccc1)SCCCO 62a_200010759516_100011215043 [0,1,0,0,0,0|1,1,0]=3 1474 B16R1.1694 CC(CNCc1ccccc1)COCCF 34a_100015184949_100011217306 [0,1,0,0,0,0|3,0,0]=4 1475 B16R1.1694 CC(CNCc1ccccc1)COCCO 34a_100015184949_100000211926 [0,1,0,0,0,0|3,0,0]=4 1476 B16R1.1694 CC(COCCBr)COCc1ccccc1 34a_100000211926_100011216253 [0,1,0,0,0,0|3,0,0]=4 1477 B16R1.1694 CC(COCCF)COCc1ccccc1 34a_200011216033_100011217306 [0,1,0,0,0,0|3,0,0]=4 1478 B16R1.1694 CC(COCCF)COCc1ccccc1 7a_200011216033_100011217306 [0,1,0,0,0,0|3,0,0]=4 1479 B16R1.1694 CC(COCCN)COCc1ccccc1 34a_100000210304_100011216253 [0,1,0,0,0,0|3,0,0]=4 1480 B16R1.1694 CC(COCCO)COCc1ccccc1 34a_200011216033_100000211926 [0,1,0,0,0,0|3,0,0]=4 1481 B16R1.1694 CC(COCCO)COCc1ccccc1 7a_200011216033_100000211926 [0,1,0,0,0,0|3,0,0]=4 1482 B16R1.1694 CC(COCc1ccccc1)NCCCF 270004a_100015189416_100011215004 [0,1,0,0,0,0|3,0,0]=4 1483 B16R1.1694 CC(COCc1ccccc1)NCCCO 270004a_100000182051_100011215004 [0,1,0,0,0,0|3,0,0]=4 1484 B16R1.1694 CC(COCc1ccccc1)OCCC#N 7a_100000764311_100000184422 [0,1,0,0,0,0|2,0,1]=4 1485 B16R1.1694 CC(COCc1ccccc1)OCCCF 34a_100000764311_100011934791 [0,1,0,0,0,0|2,0,0]=3 1486 B16R1.1694 CC(COCc1ccccc1)OCCCF 7a_100000764311_100011934791 [0,1,0,0,0,0|2,0,0]=3 1487 B16R1.1694 CC(COCc1ccccc1)OCCCO 34a_100000764311_100000230001 [0,1,0,0,0,0|2,0,0]=3 1488 B16R1.1694 CC(COCc1ccccc1)OCCCO 7a_100000764311_100011215043 [0,1,0,0,0,0|2,0,0]=3 1489 B16R1.1694 CC(CSCc1ccccc1)NCCCF 270004a_100015189416_100000172147 [0,1,0,0,0,0|3,0,0]=4 1490 B16R1.1694 CC(CSCc1ccccc1)NCCCO 270004a_100000182051_100000172147 [0,1,0,0,0,0|3,0,0]=4 1491 B16R1.1694 CC=CCOC(C)COCc1ccccc1 34a_100000764311_100000070051 [0,1,0,0,0,0|2,0,1]=4 1492 B16R1.1694 CC=CCOC(C)COCc1ccccc1 7a_100000764311_100000070051 [0,1,0,0,0,0|2,0,1]=4 1493 B16R1.1694 CC=CCSC(C)CCCc1ccccc1 62a_100000070051_200010759516 [0,1,0,0,0,0|1,1,1]=4 1494 B16R1.1694 CC=CCSC(C)CCCc1ccccc1 62a_200010759516_100000070051 [0,1,0,0,0,0|1,1,1]=4 1495 B16R1.1694 CCC#CCC(C)OCCc1ccccc1 34a_200000035118_100000765856 [0,1,0,0,0,0|1,0,1]=3 1496 B16R1.1694 CCC#CCC(C)OCCc1ccccc1 7a_200000035118_100000765856 [0,1,0,0,0,0|1,0,1]=3 1497 B16R1.1694 CCC#CCC(C)OCCc1ccccn1 7a_200000035118_100015183660 [0,1,0,0,0,0|2,0,1]=4 1498 B16R1.1694 CCC#CCC(C)OCCc1cccnc1 7a_200000035118_200011713674 [0,1,0,0,0,0|2,0,1]=4 1499 B16R1.1694 CCC#CCC(C)OCCc1ccncc1 7a_200000035118_100000723409 [0,1,0,0,0,0|2,0,1]=4 1500 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000106460_200011218191 [0,1,0,0,0,0|2,0,0]=3 1501 B16R1.1694 CCCCCC(C)NCCc1ccccc1 2230a_100000211957_100000765856 [0,1,0,0,0,0|2,0,0]=3 1502 B16R1.1694 CCCCCC(C)NCCc1ccccc1 270004a_100000106460_100000211708 [0,1,0,0,0,0|2,0,0]=3 1503 B16R1.1694 CCCCCC(C)NCCc1ccccc1 34a_100000106460_200011218191 [0,1,0,0,0,0|2,0,0]=3 1504 B16R1.1694 CCCCCC(C)NCCc1ccccn1 2230a_100000211957_100015183660 [0,1,0,0,0,0|3,0,0]=4 1505 B16R1.1694 CCCCCC(C)NCCc1ccccn1 270004a_100000211156_100000211708 [0,1,0,0,0,0|3,0,0]=4 1506 B16R1.1694 CCCCCC(C)NCCc1cccnc1 2230a_100000211957_200011713674 [0,1,0,0,0,0|3,0,0]=4 1507 B16R1.1694 CCCCCC(C)NCCc1cccnc1 2230a_100000736294_200011218191 [0,1,0,0,0,0|3,0,0]=4 1508 B16R1.1694 CCCCCC(C)NCCc1cccnc1 270004a_100000736294_100000211708 [0,1,0,0,0,0|3,0,0]=4 1509 B16R1.1694 CCCCCC(C)NCCc1ccncc1 2230a_100000211957_100000723409 [0,1,0,0,0,0|3,0,0]=4 1510 B16R1.1694 CCCCCC(C)NCCc1ccncc1 270004a_100000742849_100000211708 [0,1,0,0,0,0|3,0,0]=4 1511 B16R1.1694 CCCCCC(C)NCSc1ccccc1 2230a_100000211957_100011218342 [0,1,0,0,0,0|3,0,0]=4 1512 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100000210268_200011218191 [0,1,0,0,0,0|1,0,0]=2 1513 B16R1.1694 CCCCCC(C)OCCc1ccccc1 34a_100011215632_100000765856 [0,1,0,0,0,0|1,0,0]=2 1514 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100000210268_200011218191 [0,1,0,0,0,0|1,0,0]=2 1515 B16R1.1694 CCCCCC(C)OCCc1ccccc1 7a_100011215632_100000765856 [0,1,0,0,0,0|1,0,0]=2 1516 B16R1.1694 CCCCCC(C)OCCc1ccccn1 34a_100000210271_200011218191 [0,1,0,0,0,0|2,0,0]=3 1517 B16R1.1694 CCCCCC(C)OCCc1ccccn1 7a_100011215632_100015183660 [0,1,0,0,0,0|2,0,0]=3 1518 B16R1.1694 CCCCCC(C)OCCc1cccnc1 34a_100011217484_200011218191 [0,1,0,0,0,0|2,0,0]=3 1519 B16R1.1694 CCCCCC(C)OCCc1cccnc1 7a_100011215632_200011713674 [0,1,0,0,0,0|2,0,0]=3 1520 B16R1.1694 CCCCCC(C)OCCc1ccncc1 34a_100011216225_200011218191 [0,1,0,0,0,0|2,0,0]=3 1521 B16R1.1694 CCCCCC(C)OCCc1ccncc1 7a_100011215632_100000723409 [0,1,0,0,0,0|2,0,0]=3 1522 B16R1.1694 CCCCCC(C)OCCc1cnccn1 34a_100011349526_200011218191 [0,1,0,0,0,0|3,0,0]=4 1523 B16R1.1694 CCCCCC(C)OCCc1cncnc1 34a_100011709255_200011218191 [0,1,0,0,0,0|3,0,0]=4 1524 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_100000765856_200011218191 [0,1,0,0,0,0|1,1,0]=3 1525 B16R1.1694 CCCCCC(C)SCCc1ccccc1 62a_200011218191_100011218657 [0,1,0,0,0,0|1,1,0]=3 1526 B16R1.1694 CCCCCC(C)SCCc1ccccn1 62a_100015183660_200011218191 [0,1,0,0,0,0|2,1,0]=4 1527 B16R1.1694 CCCCCC(C)SCCc1ccccn1 62a_200011218191_100015183660 [0,1,0,0,0,0|2,1,0]=4 1528 B16R1.1694 CCCCCC(C)SCCc1cccnc1 62a_200011218191_200011713674 [0,1,0,0,0,0|2,1,0]=4 1529 B16R1.1694 CCCCCC(C)SCCc1cccnc1 62a_200011713674_200011218191 [0,1,0,0,0,0|2,1,0]=4 1530 B16R1.1694 CCCCCC(C)SCCc1ccncc1 62a_100000723409_200011218191 [0,1,0,0,0,0|2,1,0]=4 1531 B16R1.1694 CCCCCC(C)SCCc1ccncc1 62a_200011218191_100000723409 [0,1,0,0,0,0|2,1,0]=4 1532 B16R1.1694 CCCCCN(C)CCCc1ccccc1 2230a_100000223495_100000211621 [0,1,0,0,0,0|3,0,0]=4 1533 B16R1.1694 CCCCCN(C)CCCc1ccccc1 2230a_100000693637_100000210326 [0,1,0,0,0,0|3,0,0]=4 1534 B16R1.1694 CCCCCN(C)CCCc1ccccc1 269982a_100000223495_100000211621 [0,1,0,0,0,0|3,0,0]=4 1535 B16R1.1694 CCCCCN(C)CCCc1ccccc1 269982a_100000693637_100000210215 [0,1,0,0,0,0|3,0,0]=4 1536 B16R1.1694 CCCCNC(C)CCCc1ccccc1 2230a_100000102301_200010759516 [0,1,0,0,0,0|2,0,0]=3 1537 B16R1.1694 CCCCNC(C)CCCc1ccccc1 7a_106832991798_200010759516 [0,1,0,0,0,0|2,0,0]=3 1538 B16R1.1694 CCCCNC(C)COCc1ccccc1 270004a_100000102301_100011215004 [0,1,0,0,0,0|3,0,0]=4 1539 B16R1.1694 CCCCNC(C)CSCc1ccccc1 270004a_100000102301_100000172147 [0,1,0,0,0,0|3,0,0]=4 1540 B16R1.1694 CCCCOC(C)CCCc1ccccc1 34a_100000210227_200010759516 [0,1,0,0,0,0|1,0,0]=2 1541 B16R1.1694 CCCCOC(C)CCCc1ccccc1 7a_100000210227_200010759516 [0,1,0,0,0,0|1,0,0]=2 1542 B16R1.1694 CCCCOC(C)COCc1ccccc1 34a_100000764311_100000210210 [0,1,0,0,0,0|2,0,0]=3 1543 B16R1.1694 CCCCOC(C)COCc1ccccc1 7a_100000764311_100000210211 [0,1,0,0,0,0|2,0,0]=3 1544 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_100000210211_200010759516 [0,1,0,0,0,0|1,1,0]=3 1545 B16R1.1694 CCCCSC(C)CCCc1ccccc1 62a_200010759516_100000210210 [0,1,0,0,0,0|1,1,0]=3 1546 B16R1.1694 CCCOCC(=O)CCCc1ccccc1 1458a_100000745993_100000211621 [0,1,0,0,0,0|2,0,1]=4 1547 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 11a_100000106460_100000745993 [0,1,0,0,0,0|2,0,1]=4 1548 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 1626a_100000106460_100000745993 [0,1,0,0,0,0|2,0,1]=4 1549 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 240690a_100000106460_100000745993 [0,1,0,0,0,0|2,0,1]=4 1550 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 34a_100000210258_100000183012 [0,1,0,0,0,0|2,0,1]=4 1551 B16R1.1694 CCCOCC(=O)NCCc1ccccc1 527a_100000106460_100000745993 [0,1,0,0,0,0|2,0,1]=4 1552 B16R1.1694 CCCOCC(=O)OCCc1ccccc1 34a_100000210258_200000077782 [0,1,0,0,0,0|1,0,1]=3 1553 B16R1.1694 CCCOCC(C)CNCc1ccccc1 34a_100015184949_100000210303 [0,1,0,0,0,0|2,0,0]=3 1554 B16R1.1694 CCCOCC(C)COCc1ccccc1 34a_100000210258_100011216253 [0,1,0,0,0,0|2,0,0]=3 1555 B16R1.1694 CCCOCC(C)COCc1ccccc1 34a_200011216033_100000210303 [0,1,0,0,0,0|2,0,0]=3 1556 B16R1.1694 CCCOCC(C)COCc1ccccc1 7a_200011216033_100000210303 [0,1,0,0,0,0|2,0,0]=3 1557 B16R1.1694 CCCOC[C@@H](N)COCc1ccccc1 34a_100016995297_100000210303 [0,1,0,0,0,0|3,0,0]=4 1558 B16R1.1694 CCCSCC(=O)OCCc1ccccc1 62a_100000210303_200000077782 [0,1,0,0,0,0|1,1,1]=4 1559 B16R1.1694 CCCSCC(=O)OCCc1ccccc1 62a_200000077782_100000210303 [0,1,0,0,0,0|1,1,1]=4 1560 B16R1.1694 CCCSCC(C)COCc1ccccc1 62a_100000210303_100011216253 [0,1,0,0,0,0|2,1,0]=4 1561 B16R1.1694 CCCSCC(C)COCc1ccccc1 62a_100011216253_100000210303 [0,1,0,0,0,0|2,1,0]=4 1562 B16R1.1694 CCCSCC(C)NCCc1ccccc1 270004a_100000106460_100011343953 [0,1,0,0,0,0|1,1,0]=3 1563 B16R1.1694 CCCSCC(C)NCCc1ccccn1 270004a_100000211156_100011343953 [0,1,0,0,0,0|2,1,0]=4 1564 B16R1.1694 CCCSCC(C)NCCc1cccnc1 270004a_100000736294_100011343953 [0,1,0,0,0,0|2,1,0]=4 1565 B16R1.1694 CCCSCC(C)NCCc1ccncc1 270004a_100000742849_100011343953 [0,1,0,0,0,0|2,1,0]=4 1566 B16R1.1694 CCOCCC(C)NCCc1ccccc1 270004a_100000106460_200011216536 [0,1,0,0,0,0|2,0,0]=3 1567 B16R1.1694 CCOCCC(C)NCCc1ccccn1 270004a_100000211156_200011216536 [0,1,0,0,0,0|3,0,0]=4 1568 B16R1.1694 CCOCCC(C)NCCc1cccnc1 270004a_100000736294_200011216536 [0,1,0,0,0,0|3,0,0]=4 1569 B16R1.1694 CCOCCC(C)NCCc1ccncc1 270004a_100000742849_200011216536 [0,1,0,0,0,0|3,0,0]=4 1570 B16R1.1694 CCOCCN(C)CCCc1ccccc1 2230a_100000693637_100011215890 [0,1,0,0,0,0|3,0,0]=4 1571 B16R1.1694 CCOCCN(C)CCCc1ccccc1 269982a_100000693637_100011215890 [0,1,0,0,0,0|3,0,0]=4 1572 B16R1.1694 CCOCSC(C)CCCc1ccccc1 62a_100000739092_200010759516 [0,1,0,0,0,0|1,1,0]=3 1573 B16R1.1694 CCOCSC(C)CCCc1ccccc1 62a_200010759516_100000739092 [0,1,0,0,0,0|1,1,0]=3 1574 B16R1.1694 CCSCCN(C)CCCc1ccccc1 2230a_100000693637_100000757381 [0,1,0,0,0,0|3,0,0]=4 1575 B16R1.1694 CCSCCN(C)CCCc1ccccc1 269982a_100000693637_100000757381 [0,1,0,0,0,0|3,0,0]=4 1576 B16R1.1694 CN(CCCCF)CCCc1ccccc1 2230a_100000693637_100000729493 [0,1,0,0,0,0|3,0,0]=4 1577 B16R1.1694 CN(CCCCF)CCCc1ccccc1 269982a_100000693637_100000729493 [0,1,0,0,0,0|3,0,0]=4 1578 B16R1.1694 CN(CCCCO)CCCc1ccccc1 2230a_100000693637_100000210776 [0,1,0,0,0,0|3,0,0]=4 1579 B16R1.1694 CN(CCCCO)CCCc1ccccc1 2230a_100000717598_100000211621 [0,1,0,0,0,0|3,0,0]=4 1580 B16R1.1694 CN(CCCCO)CCCc1ccccc1 269982a_100000693637_100000210776 [0,1,0,0,0,0|3,0,0]=4 1581 B16R1.1694 CN(CCCCO)CCCc1ccccc1 269982a_100000717598_100000211621 [0,1,0,0,0,0|3,0,0]=4 1582 B16R1.1694 COCCCC(C)OCCc1ccccc1 34a_200011539412_100000765856 [0,1,0,0,0,0|1,0,0]=2 1583 B16R1.1694 COCCCC(C)OCCc1ccccc1 7a_200011539412_100000765856 [0,1,0,0,0,0|1,0,0]=2 1584 B16R1.1694 COCCCC(C)OCCc1ccccn1 7a_200011539412_100015183660 [0,1,0,0,0,0|2,0,0]=3 1585 B16R1.1694 COCCCC(C)OCCc1cccnc1 7a_200011539412_200011713674 [0,1,0,0,0,0|2,0,0]=3 1586 B16R1.1694 COCCCC(C)OCCc1ccncc1 7a_200011539412_100000723409 [0,1,0,0,0,0|2,0,0]=3 1587 B16R1.1694 COCCCN(C)CCCc1ccccc1 2230a_100000224831_100000211621 [0,1,0,0,0,0|3,0,0]=4 1588 B16R1.1694 COCCCN(C)CCCc1ccccc1 2230a_100000693637_100000740836 [0,1,0,0,0,0|3,0,0]=4 1589 B16R1.1694 COCCCN(C)CCCc1ccccc1 269982a_100000224831_100000211621 [0,1,0,0,0,0|3,0,0]=4 1590 B16R1.1694 COCCCN(C)CCCc1ccccc1 269982a_100000693637_100000740836 [0,1,0,0,0,0|3,0,0]=4 1591 B16R1.1694 COCCNC(C)CCCc1ccccc1 2230a_100000209980_200010759516 [0,1,0,0,0,0|2,0,0]=3 1592 B16R1.1694 COCCNC(C)COCc1ccccc1 270004a_100000209980_100011215004 [0,1,0,0,0,0|3,0,0]=4 1593 B16R1.1694 COCCNC(C)CSCc1ccccc1 270004a_100000209980_100000172147 [0,1,0,0,0,0|3,0,0]=4 1594 B16R1.1694 COCCOC(C)CCCc1ccccc1 34a_100000210237_200010759516 [0,1,0,0,0,0|1,0,0]=2 1595 B16R1.1694 COCCOC(C)COCc1ccccc1 34a_100000764311_100011201679 [0,1,0,0,0,0|2,0,0]=3 1596 B16R1.1694 COCCOC(C)COCc1ccccc1 7a_100000764311_100000233755 [0,1,0,0,0,0|2,0,0]=3 1597 B16R1.1694 COCCSC(C)CCCc1ccccc1 62a_100000233755_200010759516 [0,1,0,0,0,0|1,1,0]=3 1598 B16R1.1694 COCCSC(C)CCCc1ccccc1 62a_200010759516_100000233755 [0,1,0,0,0,0|1,1,0]=3 1599 B16R1.1694 CSCCCC(C)NCCc1ccccc1 270004a_100000106460_100011399439 [0,1,0,0,0,0|2,0,0]=3 1600 B16R1.1694 CSCCCC(C)NCCc1ccccn1 270004a_100000211156_100011399439 [0,1,0,0,0,0|3,0,0]=4 1601 B16R1.1694 CSCCCC(C)NCCc1cccnc1 270004a_100000736294_100011399439 [0,1,0,0,0,0|3,0,0]=4 1602 B16R1.1694 CSCCCC(C)NCCc1ccncc1 270004a_100000742849_100011399439 [0,1,0,0,0,0|3,0,0]=4 1603 B16R1.1694 CSCCNC(C)CCCc1ccccc1 2230a_100020590264_200010759516 [0,1,0,0,0,0|2,0,0]=3 1604 B16R1.1694 CSCCNC(C)COCc1ccccc1 270004a_100020590264_100011215004 [0,1,0,0,0,0|3,0,0]=4 1605 B16R1.1694 CSCCNC(C)CSCc1ccccc1 270004a_100020590264_100000172147 [0,1,0,0,0,0|3,0,0]=4 1606 B16R1.1694 CSCCOC(C)CCCc1ccccc1 34a_100000230434_200010759516 [0,1,0,0,0,0|1,0,0]=2 1607 B16R1.1694 CSCCOC(C)CCCc1ccccc1 7a_100000230434_200010759516 [0,1,0,0,0,0|1,0,0]=2 1608 B16R1.1694 CSCCOC(C)COCc1ccccc1 34a_100000764311_100000212216 [0,1,0,0,0,0|2,0,0]=3 1609 B16R1.1694 CSCCOC(C)COCc1ccccc1 7a_100000764311_100000212216 [0,1,0,0,0,0|2,0,0]=3 1610 B16R1.1694 CSCCSC(C)CCCc1ccccc1 62a_100000212216_200010759516 [0,1,0,0,0,0|1,1,0]=3 1611 B16R1.1694 CSCCSC(C)CCCc1ccccc1 62a_200010759516_100000751147 [0,1,0,0,0,0|1,1,0]=3 1612 B16R1.1694 CSCOCC(C)CNCc1ccccc1 34a_100015184949_100011218213 [0,1,0,0,0,0|3,0,0]=4 1613 B16R1.1694 CSCOCC(C)COCc1ccccc1 34a_200011216033_100011218213 [0,1,0,0,0,0|3,0,0]=4 1614 B16R1.1694 NCCOCC(=O)OCCc1ccccc1 34a_100000210304_200000077782 [0,1,0,0,0,0|2,0,1]=4 1615 B16R1.1694 O=C(COCCBr)OCCc1ccccc1 34a_100000211926_200000077782 [0,1,0,0,0,0|2,0,1]=4 1616 B16R1.4473 C=CCCC(C)OCCc1ccccc1Br 34a_100000765329_100012161201 [0,1,0,0,0,0|1,0,2]=4 1617 B16R1.4473 C=CCCC(C)OCCc1ccccc1Br 7a_100000765329_100012161201 [0,1,0,0,0,0|1,0,2]=4 1618 B16R1.4473 C=CCCC(C)OCCc1ccccc1C 34a_100000765329_100011713688 [0,1,0,0,0,0|1,0,2]=4 1619 B16R1.4473 C=CCCC(C)OCCc1ccccc1C 7a_100000765329_100011713688 [0,1,0,0,0,0|1,0,2]=4 1620 B16R1.4473 C=CCCC(C)OCCc1ccccc1Cl 34a_100000765329_100011713703 [0,1,0,0,0,0|1,0,2]=4 1621 B16R1.4473 C=CCCC(C)OCCc1ccccc1Cl 7a_100000765329_100011713703 [0,1,0,0,0,0|1,0,2]=4 1622 B16R1.4473 C=CCCC(C)OCCc1ccccc1F 34a_100000765329_100000720011 [0,1,0,0,0,0|1,0,2]=4 1623 B16R1.4473 C=CCCC(C)OCCc1ccccc1F 7a_100000765329_100000720011 [0,1,0,0,0,0|1,0,2]=4 1624 B16R1.4473 C=CCCC(C)OCCc1ccccc1O 34a_100000765329_100000722297 [0,1,0,0,0,0|1,0,2]=4 1625 B16R1.4473 C=CCCC(C)OCCc1ccccc1O 7a_100000765329_100000722297 [0,1,0,0,0,0|1,0,2]=4 1626 B16R1.4473 CC(CCCCl)OCCc1ccccc1Br 34a_200000718107_100012161201 [0,1,0,0,0,0|2,0,0]=3 1627 B16R1.4473 CC(CCCCl)OCCc1ccccc1Br 7a_200000718107_100012161201 [0,1,0,0,0,0|2,0,0]=3 1628 B16R1.4473 CC(CCCCl)OCCc1ccccc1Cl 34a_200000718107_100011713703 [0,1,0,0,0,0|2,0,0]=3 1629 B16R1.4473 CC(CCCCl)OCCc1ccccc1Cl 7a_200000718107_100011713703 [0,1,0,0,0,0|2,0,0]=3 1630 B16R1.4473 CC(CCCCl)OCCc1ccccc1F 34a_200000718107_100000720011 [0,1,0,0,0,0|2,0,0]=3 1631 B16R1.4473 CC(CCCCl)OCCc1ccccc1F 7a_200000718107_100000720011 [0,1,0,0,0,0|2,0,0]=3 1632 B16R1.4473 CC(CCCCl)OCCc1ccccc1O 34a_200000718107_100000722297 [0,1,0,0,0,0|2,0,0]=3 1633 B16R1.4473 CC(CCCCl)OCCc1ccccc1O 7a_200000718107_100000722297 [0,1,0,0,0,0|2,0,0]=3 1634 B16R1.4473 CCC#CC(C)OCCc1ccccc1Br 34a_100000033903_100012161201 [0,1,0,0,0,0|1,0,1]=3 1635 B16R1.4473 CCC#CC(C)OCCc1ccccc1Br 7a_100000033903_100012161201 [0,1,0,0,0,0|1,0,1]=3 1636 B16R1.4473 CCC#CC(C)OCCc1ccccc1C 34a_100000033903_100011713688 [0,1,0,0,0,0|1,0,1]=3 1637 B16R1.4473 CCC#CC(C)OCCc1ccccc1C 7a_100000033903_100011713688 [0,1,0,0,0,0|1,0,1]=3 1638 B16R1.4473 CCC#CC(C)OCCc1ccccc1Cl 34a_100000033903_100011713703 [0,1,0,0,0,0|1,0,1]=3 1639 B16R1.4473 CCC#CC(C)OCCc1ccccc1Cl 7a_100000033903_100011713703 [0,1,0,0,0,0|1,0,1]=3 1640 B16R1.4473 CCC#CC(C)OCCc1ccccc1F 34a_100000033903_100000720011 [0,1,0,0,0,0|1,0,1]=3 1641 B16R1.4473 CCC#CC(C)OCCc1ccccc1F 7a_100000033903_100000720011 [0,1,0,0,0,0|1,0,1]=3 1642 B16R1.4473 CCC#CC(C)OCCc1ccccc1O 34a_100000033903_100000722297 [0,1,0,0,0,0|1,0,1]=3 1643 B16R1.4473 CCC#CC(C)OCCc1ccccc1O 7a_100000033903_100000722297 [0,1,0,0,0,0|1,0,1]=3 1644 B16R1.4473 CCCCC(C)COCc1ccccc1Br 34a_100011995851_100000184730 [0,1,0,0,0,0|3,0,0]=4 1645 B16R1.4473 CCCCC(C)COCc1ccccc1Br 7a_100011995851_100000184730 [0,1,0,0,0,0|3,0,0]=4 1646 B16R1.4473 CCCCC(C)COCc1ccccc1C 34a_100011995851_100000211839 [0,1,0,0,0,0|3,0,0]=4 1647 B16R1.4473 CCCCC(C)COCc1ccccc1C 7a_100011995851_100000211839 [0,1,0,0,0,0|3,0,0]=4 1648 B16R1.4473 CCCCC(C)COCc1ccccc1Cl 34a_100011995851_100000187162 [0,1,0,0,0,0|3,0,0]=4 1649 B16R1.4473 CCCCC(C)COCc1ccccc1Cl 7a_100011995851_100000187162 [0,1,0,0,0,0|3,0,0]=4 1650 B16R1.4473 CCCCC(C)COCc1ccccc1F 34a_100011995851_100000211605 [0,1,0,0,0,0|3,0,0]=4 1651 B16R1.4473 CCCCC(C)COCc1ccccc1F 7a_100011995851_100000211605 [0,1,0,0,0,0|3,0,0]=4 1652 B16R1.4473 CCCCC(C)COCc1ccccc1I 34a_100011995851_100011215278 [0,1,0,0,0,0|3,0,0]=4 1653 B16R1.4473 CCCCC(C)COCc1ccccc1I 7a_100011995851_100011215278 [0,1,0,0,0,0|3,0,0]=4 1654 B16R1.4473 CCCCC(C)NCCc1ccccc1Br 2230a_100000126638_100012161201 [0,1,0,0,0,0|2,0,0]=3 1655 B16R1.4473 CCCCC(C)NCCc1ccccc1Br 2230a_100000747383_200011215066 [0,1,0,0,0,0|2,0,0]=3 1656 B16R1.4473 CCCCC(C)NCCc1ccccc1Br 270004a_100000747383_100000210087 [0,1,0,0,0,0|2,0,0]=3 1657 B16R1.4473 CCCCC(C)NCCc1ccccc1Br 34a_100000747383_200011215066 [0,1,0,0,0,0|2,0,0]=3 1658 B16R1.4473 CCCCC(C)NCCc1ccccc1C 2230a_100000126638_100011713688 [0,1,0,0,0,0|2,0,0]=3 1659 B16R1.4473 CCCCC(C)NCCc1ccccc1C 2230a_100000685071_200011215066 [0,1,0,0,0,0|2,0,0]=3 1660 B16R1.4473 CCCCC(C)NCCc1ccccc1C 270004a_100000685071_100000210087 [0,1,0,0,0,0|2,0,0]=3 1661 B16R1.4473 CCCCC(C)NCCc1ccccc1C 34a_100000685071_200011215066 [0,1,0,0,0,0|2,0,0]=3 1662 B16R1.4473 CCCCC(C)NCCc1ccccc1Cl 2230a_100000126638_100011713703 [0,1,0,0,0,0|2,0,0]=3 1663 B16R1.4473 CCCCC(C)NCCc1ccccc1Cl 2230a_100011207228_200011215066 [0,1,0,0,0,0|2,0,0]=3 1664 B16R1.4473 CCCCC(C)NCCc1ccccc1Cl 270004a_100000126638_200011713468 [0,1,0,0,0,0|2,0,0]=3 1665 B16R1.4473 CCCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000210087 [0,1,0,0,0,0|2,0,0]=3 1666 B16R1.4473 CCCCC(C)NCCc1ccccc1Cl 34a_100011207228_200011215066 [0,1,0,0,0,0|2,0,0]=3 1667 B16R1.4473 CCCCC(C)NCCc1ccccc1F 2230a_100000126638_100011713696 [0,1,0,0,0,0|2,0,0]=3 1668 B16R1.4473 CCCCC(C)NCCc1ccccc1F 2230a_100000185272_200011215066 [0,1,0,0,0,0|2,0,0]=3 1669 B16R1.4473 CCCCC(C)NCCc1ccccc1F 270004a_100000185272_100000210087 [0,1,0,0,0,0|2,0,0]=3 1670 B16R1.4473 CCCCC(C)NCCc1ccccc1F 34a_100000185272_200011215066 [0,1,0,0,0,0|2,0,0]=3 1671 B16R1.4473 CCCCC(C)NCCc1ccccc1O 270004a_100011207237_100000210087 [0,1,0,0,0,0|2,0,0]=3 1672 B16R1.4473 CCCCC(C)NCCc1ccccc1O 34a_100011207237_200011215066 [0,1,0,0,0,0|2,0,0]=3 1673 B16R1.4473 CCCCC(C)NCCn1ccccc1=O 2230a_100000687133_200011215066 [0,1,0,0,0,0|3,0,0]=4 1674 B16R1.4473 CCCCC(C)OCCc1ccccc1Br 34a_100000687866_100012161201 [0,1,0,0,0,0|1,0,0]=2 1675 B16R1.4473 CCCCC(C)OCCc1ccccc1Br 34a_100000731337_200011215066 [0,1,0,0,0,0|1,0,0]=2 1676 B16R1.4473 CCCCC(C)OCCc1ccccc1Br 7a_100000687866_100012161201 [0,1,0,0,0,0|1,0,0]=2 1677 B16R1.4473 CCCCC(C)OCCc1ccccc1Br 7a_100000731337_200011215066 [0,1,0,0,0,0|1,0,0]=2 1678 B16R1.4473 CCCCC(C)OCCc1ccccc1C 34a_100000687866_100011713688 [0,1,0,0,0,0|1,0,0]=2 1679 B16R1.4473 CCCCC(C)OCCc1ccccc1C 34a_100011220023_200011215066 [0,1,0,0,0,0|1,0,0]=2 1680 B16R1.4473 CCCCC(C)OCCc1ccccc1C 7a_100000687866_100011713688 [0,1,0,0,0,0|1,0,0]=2 1681 B16R1.4473 CCCCC(C)OCCc1ccccc1C 7a_100011220023_200011215066 [0,1,0,0,0,0|1,0,0]=2 1682 B16R1.4473 CCCCC(C)OCCc1ccccc1Cl 34a_100000687866_100011713703 [0,1,0,0,0,0|1,0,0]=2 1683 B16R1.4473 CCCCC(C)OCCc1ccccc1Cl 34a_100011215284_200011215066 [0,1,0,0,0,0|1,0,0]=2 1684 B16R1.4473 CCCCC(C)OCCc1ccccc1Cl 7a_100000687866_100011713703 [0,1,0,0,0,0|1,0,0]=2 1685 B16R1.4473 CCCCC(C)OCCc1ccccc1Cl 7a_100011215284_200011215066 [0,1,0,0,0,0|1,0,0]=2 1686 B16R1.4473 CCCCC(C)OCCc1ccccc1F 34a_100000687866_100000720011 [0,1,0,0,0,0|1,0,0]=2 1687 B16R1.4473 CCCCC(C)OCCc1ccccc1F 34a_100000753711_200011215066 [0,1,0,0,0,0|1,0,0]=2 1688 B16R1.4473 CCCCC(C)OCCc1ccccc1F 7a_100000687866_100000720011 [0,1,0,0,0,0|1,0,0]=2 1689 B16R1.4473 CCCCC(C)OCCc1ccccc1F 7a_100000753711_200011215066 [0,1,0,0,0,0|1,0,0]=2 1690 B16R1.4473 CCCCC(C)OCCc1ccccc1I 34a_100010255290_200011215066 [0,1,0,0,0,0|1,0,0]=2 1691 B16R1.4473 CCCCC(C)OCCc1ccccc1I 7a_100010255290_200011215066 [0,1,0,0,0,0|1,0,0]=2 1692 B16R1.4473 CCCCC(C)OCCc1ccccc1N 34a_100011215289_200011215066 [0,1,0,0,0,0|1,0,0]=2 1693 B16R1.4473 CCCCC(C)OCCc1ccccc1O 34a_100000687866_100000722297 [0,1,0,0,0,0|1,0,0]=2 1694 B16R1.4473 CCCCC(C)OCCc1ccccc1O 7a_100000687866_100000722297 [0,1,0,0,0,0|1,0,0]=2 1695 B16R1.4473 CCCCC(C)OCCc1ncccc1C 34a_100011997706_200011215066 [0,1,0,0,0,0|2,0,0]=3 1696 B16R1.4473 CCCCC(C)OCCc1ncccc1C 7a_100011997706_200011215066 [0,1,0,0,0,0|2,0,0]=3 1697 B16R1.4473 CCCCC(C)SCCc1ccccc1C 62a_100011713688_200011215066 [0,1,0,0,0,0|1,1,0]=3 1698 B16R1.4473 CCCCC(C)SCCc1ccccc1C 62a_200011215066_100011713688 [0,1,0,0,0,0|1,1,0]=3 1699 B16R1.4473 CCCCC(C)SCCc1ccccc1F 62a_100011713696_200011215066 [0,1,0,0,0,0|1,1,0]=3 1700 B16R1.4473 CCCCC(C)SCCc1ccccc1F 62a_200011215066_100011713696 [0,1,0,0,0,0|1,1,0]=3 1701 B16R1.4473 CCCCC(C)SCCc1ccccc1O 62a_100000722297_200011215066 [0,1,0,0,0,0|1,1,0]=3 1702 B16R1.4473 CCCCC(C)SCCc1ccccc1O 62a_200011215066_100000722297 [0,1,0,0,0,0|1,1,0]=3 1703 B16R1.4473 CCCCN(C)CCCc1ccccc1Br 2230a_100000207549_200011713681 [0,1,0,0,0,0|3,0,0]=4 1704 B16R1.4473 CCCCN(C)CCCc1ccccc1Br 269982a_100000207549_200011713681 [0,1,0,0,0,0|3,0,0]=4 1705 B16R1.4473 CCCOC(=O)OCNc1ccccc1Br 34a_100000210017_200000139673 [0,1,0,0,0,0|2,0,1]=4 1706 B16R1.4473 CCCOC(=O)OCNc1ccccc1C 34a_100015192222_200000139673 [0,1,0,0,0,0|2,0,1]=4 1707 B16R1.4473 CCCOC(=O)OCNc1ccccc1Cl 34a_100000185783_200000139673 [0,1,0,0,0,0|2,0,1]=4 1708 B16R1.4473 CCCOC(=O)OCNc1ccccc1F 34a_100000210422_200000139673 [0,1,0,0,0,0|2,0,1]=4 1709 B16R1.4473 CCCOC(=O)OCNc1ccccc1I 34a_100000210053_200000139673 [0,1,0,0,0,0|2,0,1]=4 1710 B16R1.4473 CCCOC(=O)OCNc1ccccc1O 34a_100000185747_200000139673 [0,1,0,0,0,0|2,0,1]=4 1711 B16R1.4473 CCCOC(=O)OCOc1ccccc1Br 34a_100000181306_200000139673 [0,1,0,0,0,0|2,0,1]=4 1712 B16R1.4473 CCCOC(=O)OCOc1ccccc1Br 7a_100000181306_200000139673 [0,1,0,0,0,0|2,0,1]=4 1713 B16R1.4473 CCCOC(=O)OCOc1ccccc1C 34a_100000210338_200000139673 [0,1,0,0,0,0|2,0,1]=4 1714 B16R1.4473 CCCOC(=O)OCOc1ccccc1C 7a_100000210338_200000139673 [0,1,0,0,0,0|2,0,1]=4 1715 B16R1.4473 CCCOC(=O)OCOc1ccccc1Cl 34a_100000210172_200000139673 [0,1,0,0,0,0|2,0,1]=4 1716 B16R1.4473 CCCOC(=O)OCOc1ccccc1Cl 7a_100000210172_200000139673 [0,1,0,0,0,0|2,0,1]=4 1717 B16R1.4473 CCCOC(=O)OCOc1ccccc1F 34a_100000210171_200000139673 [0,1,0,0,0,0|2,0,1]=4 1718 B16R1.4473 CCCOC(=O)OCOc1ccccc1F 7a_100000210171_200000139673 [0,1,0,0,0,0|2,0,1]=4 1719 B16R1.4473 CCCOC(=O)OCOc1ccccc1I 34a_100000739446_200000139673 [0,1,0,0,0,0|2,0,1]=4 1720 B16R1.4473 CCCOC(=O)OCOc1ccccc1I 7a_100000739446_200000139673 [0,1,0,0,0,0|2,0,1]=4 1721 B16R1.4473 CCCOC(=O)OCOc1ccccc1N 34a_100000185747_200000139673 [0,1,0,0,0,0|2,0,1]=4 1722 B16R1.4473 CCCOC(=O)OCOc1ccccc1N 7a_100000185747_200000139673 [0,1,0,0,0,0|2,0,1]=4 1723 B16R1.4473 CCCOC(=O)OCSc1ccccc1Br 62a_100000695589_200000139673 [0,1,0,0,0,0|2,0,1]=4 1724 B16R1.4473 CCCOC(=O)OCSc1ccccc1C 62a_100000210755_200000139673 [0,1,0,0,0,0|2,0,1]=4 1725 B16R1.4473 CCCOC(=O)OCSc1ccccc1Cl 62a_100000764095_200000139673 [0,1,0,0,0,0|2,0,1]=4 1726 B16R1.4473 CCCOC(=O)OCSc1ccccc1F 62a_100011215700_200000139673 [0,1,0,0,0,0|2,0,1]=4 1727 B16R1.4473 CCCOC(=O)OCSc1ccccc1N 62a_100000210017_200000139673 [0,1,0,0,0,0|2,0,1]=4 1728 B16R1.4473 CCCOC(=O)OCSc1ccccc1O 62a_100000739446_200000139673 [0,1,0,0,0,0|2,0,1]=4 1729 B16R1.4473 CCCOC(C)CNCc1ccccc1Br 207a_100015185124_100000211189 [0,1,0,0,0,0|2,0,0]=3 1730 B16R1.4473 CCCOC(C)CNCc1ccccc1Br 2230a_100015185124_100000184730 [0,1,0,0,0,0|2,0,0]=3 1731 B16R1.4473 CCCOC(C)CNCc1ccccc1Br 26a_100015185124_100000181306 [0,1,0,0,0,0|2,0,0]=3 1732 B16R1.4473 CCCOC(C)CNCc1ccccc1Br 270004a_100015185124_100000211189 [0,1,0,0,0,0|2,0,0]=3 1733 B16R1.4473 CCCOC(C)CNCc1ccccc1Br 34a_100015185124_100000184730 [0,1,0,0,0,0|2,0,0]=3 1734 B16R1.4473 CCCOC(C)CNCc1ccccc1C 207a_100015185124_100000211143 [0,1,0,0,0,0|2,0,0]=3 1735 B16R1.4473 CCCOC(C)CNCc1ccccc1C 2230a_100015185124_100000211839 [0,1,0,0,0,0|2,0,0]=3 1736 B16R1.4473 CCCOC(C)CNCc1ccccc1C 270004a_100015185124_100000211143 [0,1,0,0,0,0|2,0,0]=3 1737 B16R1.4473 CCCOC(C)CNCc1ccccc1C 34a_100015185124_100000211839 [0,1,0,0,0,0|2,0,0]=3 1738 B16R1.4473 CCCOC(C)CNCc1ccccc1Cl 207a_100015185124_100000210073 [0,1,0,0,0,0|2,0,0]=3 1739 B16R1.4473 CCCOC(C)CNCc1ccccc1Cl 2230a_100015185124_100000187162 [0,1,0,0,0,0|2,0,0]=3 1740 B16R1.4473 CCCOC(C)CNCc1ccccc1Cl 26a_100015185124_100000210172 [0,1,0,0,0,0|2,0,0]=3 1741 B16R1.4473 CCCOC(C)CNCc1ccccc1Cl 270004a_100015185124_100000210073 [0,1,0,0,0,0|2,0,0]=3 1742 B16R1.4473 CCCOC(C)CNCc1ccccc1Cl 34a_100015185124_100000187162 [0,1,0,0,0,0|2,0,0]=3 1743 B16R1.4473 CCCOC(C)CNCc1ccccc1F 207a_100015185124_100000210811 [0,1,0,0,0,0|2,0,0]=3 1744 B16R1.4473 CCCOC(C)CNCc1ccccc1F 2230a_100015185124_100000211605 [0,1,0,0,0,0|2,0,0]=3 1745 B16R1.4473 CCCOC(C)CNCc1ccccc1F 270004a_100015185124_100000210811 [0,1,0,0,0,0|2,0,0]=3 1746 B16R1.4473 CCCOC(C)CNCc1ccccc1F 34a_100015185124_100000211605 [0,1,0,0,0,0|2,0,0]=3 1747 B16R1.4473 CCCOC(C)CNCc1ccccc1I 207a_100015185124_100000010305 [0,1,0,0,0,0|2,0,0]=3 1748 B16R1.4473 CCCOC(C)CNCc1ccccc1I 2230a_100015185124_100011215278 [0,1,0,0,0,0|2,0,0]=3 1749 B16R1.4473 CCCOC(C)CNCc1ccccc1I 270004a_100015185124_100000010305 [0,1,0,0,0,0|2,0,0]=3 1750 B16R1.4473 CCCOC(C)CNCc1ccccc1I 34a_100015185124_100011215278 [0,1,0,0,0,0|2,0,0]=3 1751 B16R1.4473 CCCOC(C)CNCc1cccnc1Br 2230a_100015185124_100010140945 [0,1,0,0,0,0|3,0,0]=4 1752 B16R1.4473 CCCOC(C)CNCc1cccnc1Br 34a_100015185124_100010140945 [0,1,0,0,0,0|3,0,0]=4 1753 B16R1.4473 CCCOC(C)CNCc1cccnc1C 207a_100015185124_100000751968 [0,1,0,0,0,0|3,0,0]=4 1754 B16R1.4473 CCCOC(C)CNCc1cccnc1C 2230a_100015185124_100000732876 [0,1,0,0,0,0|3,0,0]=4 1755 B16R1.4473 CCCOC(C)CNCc1cccnc1C 270004a_100015185124_100000751968 [0,1,0,0,0,0|3,0,0]=4 1756 B16R1.4473 CCCOC(C)CNCc1cccnc1C 34a_100015185124_100000732876 [0,1,0,0,0,0|3,0,0]=4 1757 B16R1.4473 CCCOC(C)CNCc1cccnc1Cl 2230a_100015185124_100000045678 [0,1,0,0,0,0|3,0,0]=4 1758 B16R1.4473 CCCOC(C)CNCc1cccnc1Cl 34a_100015185124_100000045678 [0,1,0,0,0,0|3,0,0]=4 1759 B16R1.4473 CCCOC(C)CNCc1cccnc1F 2230a_100015185124_100000099810 [0,1,0,0,0,0|3,0,0]=4 1760 B16R1.4473 CCCOC(C)CNCc1cccnc1F 34a_100015185124_100000099810 [0,1,0,0,0,0|3,0,0]=4 1761 B16R1.4473 CCCOC(C)CNCc1cccnc1O 207a_100015185124_100011998315 [0,1,0,0,0,0|3,0,0]=4 1762 B16R1.4473 CCCOC(C)CNCc1cccnc1O 270004a_100015185124_100011998315 [0,1,0,0,0,0|3,0,0]=4 1763 B16R1.4473 CCCOC(C)CNCc1ccncc1Br 270004a_100015185124_100000755692 [0,1,0,0,0,0|3,0,0]=4 1764 B16R1.4473 CCCOC(C)CNCc1ccncc1C 2230a_100015185124_100020672808 [0,1,0,0,0,0|3,0,0]=4 1765 B16R1.4473 CCCOC(C)CNCc1ccncc1C 34a_100015185124_100020672809 [0,1,0,0,0,0|3,0,0]=4 1766 B16R1.4473 CCCOC(C)CNCc1ccncc1Cl 207a_100015185124_100011934409 [0,1,0,0,0,0|3,0,0]=4 1767 B16R1.4473 CCCOC(C)CNCc1ccncc1Cl 2230a_100015185124_100000763264 [0,1,0,0,0,0|3,0,0]=4 1768 B16R1.4473 CCCOC(C)CNCc1ccncc1Cl 270004a_100015185124_100011934409 [0,1,0,0,0,0|3,0,0]=4 1769 B16R1.4473 CCCOC(C)CNCc1cnccc1Br 270004a_100015185124_100009816821 [0,1,0,0,0,0|3,0,0]=4 1770 B16R1.4473 CCCOC(C)CNCc1cnccc1C 207a_100015185124_100000685662 [0,1,0,0,0,0|3,0,0]=4 1771 B16R1.4473 CCCOC(C)CNCc1cnccc1C 2230a_100015185124_100000690890 [0,1,0,0,0,0|3,0,0]=4 1772 B16R1.4473 CCCOC(C)CNCc1cnccc1C 270004a_100015185124_100000685662 [0,1,0,0,0,0|3,0,0]=4 1773 B16R1.4473 CCCOC(C)CNCc1cnccc1C 34a_100015185124_100000690890 [0,1,0,0,0,0|3,0,0]=4 1774 B16R1.4473 CCCOC(C)CNCc1cnccc1Cl 270004a_100015185124_100000050567 [0,1,0,0,0,0|3,0,0]=4 1775 B16R1.4473 CCCOC(C)CNCc1ncccc1Br 207a_100015185124_100011934733 [0,1,0,0,0,0|3,0,0]=4 1776 B16R1.4473 CCCOC(C)CNCc1ncccc1Br 2230a_100015185124_100025702911 [0,1,0,0,0,0|3,0,0]=4 1777 B16R1.4473 CCCOC(C)CNCc1ncccc1Br 270004a_100015185124_100011934733 [0,1,0,0,0,0|3,0,0]=4 1778 B16R1.4473 CCCOC(C)CNCc1ncccc1Br 34a_100015185124_100025702911 [0,1,0,0,0,0|3,0,0]=4 1779 B16R1.4473 CCCOC(C)CNCc1ncccc1C 207a_100015185124_100000698913 [0,1,0,0,0,0|3,0,0]=4 1780 B16R1.4473 CCCOC(C)CNCc1ncccc1C 2230a_100015185124_100000696600 [0,1,0,0,0,0|3,0,0]=4 1781 B16R1.4473 CCCOC(C)CNCc1ncccc1C 270004a_100015185124_100000698913 [0,1,0,0,0,0|3,0,0]=4 1782 B16R1.4473 CCCOC(C)CNCc1ncccc1C 34a_100015185124_100000696600 [0,1,0,0,0,0|3,0,0]=4 1783 B16R1.4473 CCCOC(C)CNCc1ncccc1Cl 207a_100015185124_100012001307 [0,1,0,0,0,0|3,0,0]=4 1784 B16R1.4473 CCCOC(C)CNCc1ncccc1Cl 2230a_100015185124_100000099807 [0,1,0,0,0,0|3,0,0]=4 1785 B16R1.4473 CCCOC(C)CNCc1ncccc1Cl 270004a_100015185124_100012001307 [0,1,0,0,0,0|3,0,0]=4 1786 B16R1.4473 CCCOC(C)CNCc1ncccc1F 207a_100015185124_100011934734 [0,1,0,0,0,0|3,0,0]=4 1787 B16R1.4473 CCCOC(C)CNCc1ncccc1F 2230a_100015185124_100000104219 [0,1,0,0,0,0|3,0,0]=4 1788 B16R1.4473 CCCOC(C)CNCc1ncccc1F 270004a_100015185124_100011934734 [0,1,0,0,0,0|3,0,0]=4 1789 B16R1.4473 CCCOC(C)CNCc1ncccc1F 34a_100015185124_100000104219 [0,1,0,0,0,0|3,0,0]=4 1790 B16R1.4473 CCCOC(C)CNCc1ncccc1O 34a_100015185124_200020655725 [0,1,0,0,0,0|3,0,0]=4 1791 B16R1.4473 CCOCC(C)OCCc1ccccc1Br 34a_100000718985_100012161201 [0,1,0,0,0,0|2,0,0]=3 1792 B16R1.4473 CCOCC(C)OCCc1ccccc1Br 7a_100000718985_100012161201 [0,1,0,0,0,0|2,0,0]=3 1793 B16R1.4473 CCOCC(C)OCCc1ccccc1C 34a_100000718985_100011713688 [0,1,0,0,0,0|2,0,0]=3 1794 B16R1.4473 CCOCC(C)OCCc1ccccc1C 7a_100000718985_100011713688 [0,1,0,0,0,0|2,0,0]=3 1795 B16R1.4473 CCOCC(C)OCCc1ccccc1Cl 34a_100000718985_100011713703 [0,1,0,0,0,0|2,0,0]=3 1796 B16R1.4473 CCOCC(C)OCCc1ccccc1Cl 7a_100000718985_100011713703 [0,1,0,0,0,0|2,0,0]=3 1797 B16R1.4473 CCOCC(C)OCCc1ccccc1F 34a_100000718985_100000720011 [0,1,0,0,0,0|2,0,0]=3 1798 B16R1.4473 CCOCC(C)OCCc1ccccc1F 7a_100000718985_100000720011 [0,1,0,0,0,0|2,0,0]=3 1799 B16R1.4473 CCOCC(C)OCCc1ccccc1O 34a_100000718985_100000722297 [0,1,0,0,0,0|2,0,0]=3 1800 B16R1.4473 CCOCC(C)OCCc1ccccc1O 7a_100000718985_100000722297 [0,1,0,0,0,0|2,0,0]=3 1801 B16R1.4473 CCSCC(C)NCCc1ccccc1Br 270004a_100000747383_200011216171 [0,1,0,0,0,0|3,0,0]=4 1802 B16R1.4473 CCSCC(C)NCCc1ccccc1C 270004a_100000685071_200011216171 [0,1,0,0,0,0|3,0,0]=4 1803 B16R1.4473 CCSCC(C)NCCc1ccccc1Cl 270004a_100011207228_200011216171 [0,1,0,0,0,0|3,0,0]=4 1804 B16R1.4473 CCSCC(C)NCCc1ccccc1F 270004a_100000185272_200011216171 [0,1,0,0,0,0|3,0,0]=4 1805 B16R1.4473 CCSCC(C)NCCc1ccccc1O 270004a_100011207237_200011216171 [0,1,0,0,0,0|3,0,0]=4 1806 B16R1.4473 COCCC(C)NCCc1ccccc1Br 270004a_100000747383_100000742357 [0,1,0,0,0,0|3,0,0]=4 1807 B16R1.4473 COCCC(C)NCCc1ccccc1C 270004a_100000685071_100000742357 [0,1,0,0,0,0|3,0,0]=4 1808 B16R1.4473 COCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000742357 [0,1,0,0,0,0|3,0,0]=4 1809 B16R1.4473 COCCC(C)NCCc1ccccc1F 270004a_100000185272_100000742357 [0,1,0,0,0,0|3,0,0]=4 1810 B16R1.4473 COCCC(C)NCCc1ccccc1O 270004a_100011207237_100000742357 [0,1,0,0,0,0|3,0,0]=4 1811 B16R1.4473 COCO[C@H](C)COCc1ccccc1Br 34a_100016172286_100000184730 [0,1,0,0,0,0|3,0,0]=4 1812 B16R1.4473 COCO[C@H](C)COCc1ccccc1Br 7a_100016172286_100000184730 [0,1,0,0,0,0|3,0,0]=4 1813 B16R1.4473 COCO[C@H](C)COCc1ccccc1C 34a_100016172286_100000211839 [0,1,0,0,0,0|3,0,0]=4 1814 B16R1.4473 COCO[C@H](C)COCc1ccccc1C 7a_100016172286_100000211839 [0,1,0,0,0,0|3,0,0]=4 1815 B16R1.4473 COCO[C@H](C)COCc1ccccc1Cl 34a_100016172286_100000187162 [0,1,0,0,0,0|3,0,0]=4 1816 B16R1.4473 COCO[C@H](C)COCc1ccccc1Cl 7a_100016172286_100000187162 [0,1,0,0,0,0|3,0,0]=4 1817 B16R1.4473 COCO[C@H](C)COCc1ccccc1F 34a_100016172286_100000211605 [0,1,0,0,0,0|3,0,0]=4 1818 B16R1.4473 COCO[C@H](C)COCc1ccccc1F 7a_100016172286_100000211605 [0,1,0,0,0,0|3,0,0]=4 1819 B16R1.4473 COCO[C@H](C)COCc1ccccc1I 34a_100016172286_100011215278 [0,1,0,0,0,0|3,0,0]=4 1820 B16R1.4473 COCO[C@H](C)COCc1ccccc1I 7a_100016172286_100011215278 [0,1,0,0,0,0|3,0,0]=4 1821 B16R1.4473 CSCCC(C)NCCc1ccccc1Br 270004a_100000747383_100011217047 [0,1,0,0,0,0|3,0,0]=4 1822 B16R1.4473 CSCCC(C)NCCc1ccccc1C 270004a_100000685071_100011217047 [0,1,0,0,0,0|3,0,0]=4 1823 B16R1.4473 CSCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011217047 [0,1,0,0,0,0|3,0,0]=4 1824 B16R1.4473 CSCCC(C)NCCc1ccccc1F 270004a_100000185272_100011217047 [0,1,0,0,0,0|3,0,0]=4 1825 B16R1.4473 CSCCC(C)NCCc1ccccc1O 270004a_100011207237_100011217047 [0,1,0,0,0,0|3,0,0]=4 1826 B16R1.4473 Cc1ccccc1CCOC(C)CCCCl 34a_200000718107_100011713688 [0,1,0,0,0,0|2,0,0]=3 1827 B16R1.4473 Cc1ccccc1CCOC(C)CCCCl 7a_200000718107_100011713688 [0,1,0,0,0,0|2,0,0]=3 1828 B16R1.4525 C#CC(CCCC)OCCc1ccccc1 34a_200011217967_100000765856 [0,1,0,0,0,0|1,0,1]=3 1829 B16R1.4525 C#CC(CCCC)OCCc1ccccc1 7a_200011217967_100000765856 [0,1,0,0,0,0|1,0,1]=3 1830 B16R1.4525 C#CC(CCCC)OCCc1ccccn1 7a_200011217967_100015183660 [0,1,0,0,0,0|2,0,1]=4 1831 B16R1.4525 C#CC(CCCC)OCCc1cccnc1 7a_200011217967_200011713674 [0,1,0,0,0,0|2,0,1]=4 1832 B16R1.4525 C#CC(CCCC)OCCc1ccncc1 7a_200011217967_100000723409 [0,1,0,0,0,0|2,0,1]=4 1833 B16R1.4525 C=CC(CCCC)OCCc1ccccc1 34a_200011215037_100000765856 [0,1,0,0,0,0|1,0,1]=3 1834 B16R1.4525 C=CC(CCCC)OCCc1ccccc1 7a_200011215037_100000765856 [0,1,0,0,0,0|1,0,1]=3 1835 B16R1.4525 C=CC(CCCC)OCCc1ccccn1 7a_200011215037_100015183660 [0,1,0,0,0,0|2,0,1]=4 1836 B16R1.4525 C=CC(CCCC)OCCc1cccnc1 7a_200011215037_200011713674 [0,1,0,0,0,0|2,0,1]=4 1837 B16R1.4525 C=CC(CCCC)OCCc1ccncc1 7a_200011215037_100000723409 [0,1,0,0,0,0|2,0,1]=4 1838 B16R1.4525 CCCCC(CC)CNCc1ccccc1 207a_100000209976_100015611070 [0,1,0,0,0,0|3,0,0]=4 1839 B16R1.4525 CCCCC(CC)CNCc1ccccc1 2230a_100000209976_100015291786 [0,1,0,0,0,0|3,0,0]=4 1840 B16R1.4525 CCCCC(CC)CNCc1ccccc1 2230a_100015324214_100000211942 [0,1,0,0,0,0|3,0,0]=4 1841 B16R1.4525 CCCCC(CC)CNCc1ccccc1 269862a_100015324214_100011219736 [0,1,0,0,0,0|3,0,0]=4 1842 B16R1.4525 CCCCC(CC)CNCc1ccccc1 270004a_100000209976_100015611070 [0,1,0,0,0,0|3,0,0]=4 1843 B16R1.4525 CCCCC(CC)CNCc1ccccc1 270004a_100015324214_100011219736 [0,1,0,0,0,0|3,0,0]=4 1844 B16R1.4525 CCCCC(CC)CNCc1ccccc1 34a_100015324214_100000211942 [0,1,0,0,0,0|3,0,0]=4 1845 B16R1.4525 CCCCC(CC)COCc1ccccc1 34a_100000210273_100015291786 [0,1,0,0,0,0|3,0,0]=4 1846 B16R1.4525 CCCCC(CC)COCc1ccccc1 34a_100000210790_100000211942 [0,1,0,0,0,0|3,0,0]=4 1847 B16R1.4525 CCCCC(CC)COCc1ccccc1 7a_100000210273_100000211182 [0,1,0,0,0,0|3,0,0]=4 1848 B16R1.4525 CCCCC(CC)COCc1ccccc1 7a_100000210790_100000211942 [0,1,0,0,0,0|3,0,0]=4 1849 B16R1.4525 CCCCC(CC)NCCc1ccccc1 270004a_100000106460_100000753412 [0,1,0,0,0,0|2,0,0]=3 1850 B16R1.4525 CCCCC(CC)NCCc1ccccc1 34a_100000106460_200011216223 [0,1,0,0,0,0|2,0,0]=3 1851 B16R1.4525 CCCCC(CC)NCCc1ccccn1 270004a_100000211156_100000753412 [0,1,0,0,0,0|3,0,0]=4 1852 B16R1.4525 CCCCC(CC)NCCc1cccnc1 270004a_100000736294_100000753412 [0,1,0,0,0,0|3,0,0]=4 1853 B16R1.4525 CCCCC(CC)NCCc1ccncc1 270004a_100000742849_100000753412 [0,1,0,0,0,0|3,0,0]=4 1854 B16R1.4525 CCCCC(CC)OCCc1ccccc1 34a_100000210268_200011216223 [0,1,0,0,0,0|1,0,0]=2 1855 B16R1.4525 CCCCC(CC)OCCc1ccccc1 34a_100011215227_100000765856 [0,1,0,0,0,0|1,0,0]=2 1856 B16R1.4525 CCCCC(CC)OCCc1ccccc1 7a_100000210268_200011216223 [0,1,0,0,0,0|1,0,0]=2 1857 B16R1.4525 CCCCC(CC)OCCc1ccccc1 7a_100011215227_100000765856 [0,1,0,0,0,0|1,0,0]=2 1858 B16R1.4525 CCCCC(CC)OCCc1ccccn1 34a_100000210271_200011216223 [0,1,0,0,0,0|2,0,0]=3 1859 B16R1.4525 CCCCC(CC)OCCc1ccccn1 7a_100011215227_100015183660 [0,1,0,0,0,0|2,0,0]=3 1860 B16R1.4525 CCCCC(CC)OCCc1cccnc1 34a_100011217484_200011216223 [0,1,0,0,0,0|2,0,0]=3 1861 B16R1.4525 CCCCC(CC)OCCc1cccnc1 7a_100011215227_200011713674 [0,1,0,0,0,0|2,0,0]=3 1862 B16R1.4525 CCCCC(CC)OCCc1ccncc1 34a_100011216225_200011216223 [0,1,0,0,0,0|2,0,0]=3 1863 B16R1.4525 CCCCC(CC)OCCc1ccncc1 7a_100011215227_100000723409 [0,1,0,0,0,0|2,0,0]=3 1864 B16R1.4525 CCCCC(CC)OCCc1cnccn1 34a_100011349526_200011216223 [0,1,0,0,0,0|3,0,0]=4 1865 B16R1.4525 CCCCC(CC)OCCc1cncnc1 34a_100011709255_200011216223 [0,1,0,0,0,0|3,0,0]=4 1866 B16R1.4525 CCCCC(CC)SCCc1ccccc1 62a_100000765856_200011216223 [0,1,0,0,0,0|1,1,0]=3 1867 B16R1.4525 CCCCC(CC)SCCc1ccccc1 62a_200011216223_100011218657 [0,1,0,0,0,0|1,1,0]=3 1868 B16R1.4525 CCCCC(CC)SCCc1ccccn1 62a_100015183660_200011216223 [0,1,0,0,0,0|2,1,0]=4 1869 B16R1.4525 CCCCC(CC)SCCc1ccccn1 62a_200011216223_100015183660 [0,1,0,0,0,0|2,1,0]=4 1870 B16R1.4525 CCCCC(CC)SCCc1cccnc1 62a_200011216223_200011713674 [0,1,0,0,0,0|2,1,0]=4 1871 B16R1.4525 CCCCC(CC)SCCc1cccnc1 62a_200011713674_200011216223 [0,1,0,0,0,0|2,1,0]=4 1872 B16R1.4525 CCCCC(CC)SCCc1ccncc1 62a_100000723409_200011216223 [0,1,0,0,0,0|2,1,0]=4 1873 B16R1.4525 CCCCC(CC)SCCc1ccncc1 62a_200011216223_100000723409 [0,1,0,0,0,0|2,1,0]=4 1874 B16R1.4525 CCCCN(CC)CCCc1ccccc1 2230a_100000207695_100000211621 [0,1,0,0,0,0|3,0,0]=4 1875 B16R1.4525 CCCCN(CC)CCCc1ccccc1 2230a_200000200706_100000210202 [0,1,0,0,0,0|3,0,0]=4 1876 B16R1.4525 CCCCN(CC)CCCc1ccccc1 269982a_100000207695_100000211621 [0,1,0,0,0,0|3,0,0]=4 1877 B16R1.4525 CCCCN(CC)CCCc1ccccc1 269982a_200000200706_100000204670 [0,1,0,0,0,0|3,0,0]=4 1878 B16R1.4525 CCCCN(CC)CCCc1ccccc1 34a_200000200706_100000210202 [0,1,0,0,0,0|3,0,0]=4 1879 B16R1.4525 CCCCN(CF)CCCc1ccccc1 269982a_200000200706_100015361967 [0,1,0,0,0,0|3,0,0]=4 1880 B16R1.4525 CCCCN(CF)CCCc1ccccc1 34a_200000200706_100015361967 [0,1,0,0,0,0|3,0,0]=4 1881 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccc1 2230a_100011934283_100000765856 [0,1,0,0,0,0|2,0,0]=3 1882 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccc1 34a_100011934283_100000765856 [0,1,0,0,0,0|2,0,0]=3 1883 B16R1.4525 CCCC[C@@H](CO)NCCc1ccccn1 2230a_100011934283_100015183660 [0,1,0,0,0,0|3,0,0]=4 1884 B16R1.4525 CCCC[C@@H](CO)NCCc1cccnc1 2230a_100011934283_200011713674 [0,1,0,0,0,0|3,0,0]=4 1885 B16R1.4525 CCCC[C@@H](CO)NCCc1ccncc1 2230a_100011934283_100000723409 [0,1,0,0,0,0|3,0,0]=4 1886 B16R1.4525 CCCC[C@@H](CO)NCSc1ccccc1 2230a_100011934283_100011218342 [0,1,0,0,0,0|3,0,0]=4 1887 B16R1.4525 CCCNC(CC)COCc1ccccc1 270004a_100020643023_100011595450 [0,1,0,0,0,0|3,0,0]=4 1888 B16R1.4525 CCCN[C@H](CO)COCc1ccccc1 2230a_100016995297_100000210303 [0,1,0,0,0,0|3,0,0]=4 1889 B16R1.4525 CCCN[C@H](CO)COCc1ccccc1 34a_100016995297_100000210303 [0,1,0,0,0,0|3,0,0]=4 1890 B16R1.4525 CCOCC(CN)OCCc1ccccc1 34a_102515437182_100000765856 [0,1,0,0,0,0|2,0,0]=3 1891 B16R1.4525 CSCC[C@@H](CO)NCCc1ccccc1 2230a_100011827619_100000765856 [0,1,0,0,0,0|3,0,0]=4 1892 B16R1.14049 CC(CCCc1ccccc1)C(=O)CCO 1458a_100011216618_200010759516 [0,1,0,0,0,0|3,0,0]=4 1893 B16R1.14049 CC(CCCc1ccccc1)N(C)CCO 2230a_100000210263_200010759516 [0,1,0,0,0,0|3,0,0]=4 1894 B16R1.14049 CC(CCCc1ccccc1)N(C)CCO 269982a_100000210263_200010759516 [0,1,0,0,0,0|3,0,0]=4 1895 B16R1.14049 CCCC(=O)C(C)CCCc1ccccc1 1458a_100000211992_200010759516 [0,1,0,0,0,0|2,0,0]=3 1896 B16R1.14049 CCCC(=O)N(C)CCCc1ccccc1 11a_100000693637_100000211992 [0,1,0,0,0,0|3,0,0]=4 1897 B16R1.14049 CCCC(=O)N(C)CCCc1ccccc1 1626a_100000693637_100000211992 [0,1,0,0,0,0|3,0,0]=4 1898 B16R1.14049 CCCC(=O)N(C)CCCc1ccccc1 240690a_100000693637_100000211992 [0,1,0,0,0,0|3,0,0]=4 1899 B16R1.14049 CCCC(=O)N(C)CCCc1ccccc1 527a_100000693637_100000211992 [0,1,0,0,0,0|3,0,0]=4 1900 B16R1.14049 CCCC(C)C(C)NCCc1ccccc1 270004a_100000106460_100011216282 [0,1,0,0,0,0|2,0,0]=3 1901 B16R1.14049 CCCC(C)C(C)NCCc1ccccn1 270004a_100000211156_100011216282 [0,1,0,0,0,0|3,0,0]=4 1902 B16R1.14049 CCCC(C)C(C)NCCc1cccnc1 270004a_100000736294_100011216282 [0,1,0,0,0,0|3,0,0]=4 1903 B16R1.14049 CCCC(C)C(C)NCCc1ccncc1 270004a_100000742849_100011216282 [0,1,0,0,0,0|3,0,0]=4 1904 B16R1.14049 CCCC(C)C(C)OCCc1ccccc1 34a_100000708338_100000765856 [0,1,0,0,0,0|1,0,0]=2 1905 B16R1.14049 CCCC(C)C(C)OCCc1ccccc1 7a_100000708338_100000765856 [0,1,0,0,0,0|1,0,0]=2 1906 B16R1.14049 CCCC(C)C(C)OCCc1ccccn1 7a_100000708338_100015183660 [0,1,0,0,0,0|2,0,0]=3 1907 B16R1.14049 CCCC(C)C(C)OCCc1cccnc1 7a_100000708338_200011713674 [0,1,0,0,0,0|2,0,0]=3 1908 B16R1.14049 CCCC(C)C(C)OCCc1ccncc1 7a_100000708338_100000723409 [0,1,0,0,0,0|2,0,0]=3 1909 B16R1.14049 CCCC(C)N(C)CCCc1ccccc1 2230a_100000693637_100000766640 [0,1,0,0,0,0|3,0,0]=4 1910 B16R1.14049 CCCC(C)N(C)CCCc1ccccc1 269982a_100000693637_100000766640 [0,1,0,0,0,0|3,0,0]=4 1911 B16R1.14049 CCCC(C)N(C)CCCc1ccccc1 270004a_100000693637_100000211909 [0,1,0,0,0,0|3,0,0]=4 1912 B16R1.14049 CCCN(C)C(C)CCCc1ccccc1 2230a_100000747261_200010759516 [0,1,0,0,0,0|2,0,0]=3 1913 B16R1.14049 CCCN(C)C(C)CCCc1ccccc1 269982a_100000747261_200010759516 [0,1,0,0,0,0|2,0,0]=3 1914 B16R1.14049 CCCN(C)C(C)COCc1ccccc1 270004a_100000747261_100011215004 [0,1,0,0,0,0|3,0,0]=4 1915 B16R1.14049 CCCN(C)C(C)CSCc1ccccc1 270004a_100000747261_100000172147 [0,1,0,0,0,0|3,0,0]=4 1916 B16R1.14049 CCNC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100000230173 [0,1,0,0,0,0|3,0,0]=4 1917 B16R1.14049 CCNC(=O)C(C)NCCc1ccccc1 2230a_100000736553_100000765856 [0,1,0,0,0,0|3,0,0]=4 1918 B16R1.14049 CCNC(=O)C(C)NCCc1ccccc1 34a_100000106460_100000230173 [0,1,0,0,0,0|3,0,0]=4 1919 B16R1.14049 CCNC(=O)C(C)NCCc1ccccc1 34a_100000736553_100000765856 [0,1,0,0,0,0|3,0,0]=4 1920 B16R1.14049 CCNC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000230173 [0,1,0,0,0,0|2,0,0]=3 1921 B16R1.14049 CCNC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000230173 [0,1,0,0,0,0|2,0,0]=3 1922 B16R1.14049 CCNC(=O)C(C)OCCc1ccccn1 34a_100000210271_100000230173 [0,1,0,0,0,0|3,0,0]=4 1923 B16R1.14049 CCNC(=O)C(C)OCCc1cccnc1 34a_100011217484_100000230173 [0,1,0,0,0,0|3,0,0]=4 1924 B16R1.14049 CCNC(=O)C(C)OCCc1ccncc1 34a_100011216225_100000230173 [0,1,0,0,0,0|3,0,0]=4 1925 B16R1.14049 CCNC(=O)C(C)SCCc1ccccc1 62a_100000230173_100011218657 [0,1,0,0,0,0|2,1,0]=4 1926 B16R1.14049 CCNC(=O)C(C)SCCc1ccccc1 62a_100000765856_100000230173 [0,1,0,0,0,0|2,1,0]=4 1927 B16R1.14049 CCOC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100011215307 [0,1,0,0,0,0|3,0,0]=4 1928 B16R1.14049 CCOC(=O)C(C)NCCc1ccccc1 34a_100000106460_100011216346 [0,1,0,0,0,0|3,0,0]=4 1929 B16R1.14049 CCOC(=O)C(C)OCCc1ccccc1 34a_100000210268_100011216346 [0,1,0,0,0,0|2,0,0]=3 1930 B16R1.14049 CCOC(=O)C(C)OCCc1ccccc1 7a_100000210268_100011216346 [0,1,0,0,0,0|2,0,0]=3 1931 B16R1.14049 CCOC(=O)C(C)OCCc1ccccn1 34a_100000210271_100011216346 [0,1,0,0,0,0|3,0,0]=4 1932 B16R1.14049 CCOC(=O)C(C)OCCc1cccnc1 34a_100011217484_100011216346 [0,1,0,0,0,0|3,0,0]=4 1933 B16R1.14049 CCOC(=O)C(C)OCCc1ccncc1 34a_100011216225_100011216346 [0,1,0,0,0,0|3,0,0]=4 1934 B16R1.14049 CCOC(=O)C(C)SCCc1ccccc1 62a_100000765856_100011216346 [0,1,0,0,0,0|2,1,0]=4 1935 B16R1.14049 CCOC(=O)C(C)SCCc1ccccc1 62a_100011216346_100011218657 [0,1,0,0,0,0|2,1,0]=4 1936 B16R1.14049 CCOC(=O)C(F)OCCc1ccccc1 34a_100000210268_100000760018 [0,1,0,0,0,0|3,0,0]=4 1937 B16R1.14049 CCOC(=O)C(F)OCCc1ccccc1 7a_100000210268_100000040065 [0,1,0,0,0,0|3,0,0]=4 1938 B16R1.14049 CCOC(=O)[C@H](C)OCCc1ccccc1 7a_100000751109_100000765856 [0,1,0,0,0,0|2,0,0]=3 1939 B16R1.14049 CCOC(=O)[C@H](C)OCCc1ccccn1 7a_100000751109_100015183660 [0,1,0,0,0,0|3,0,0]=4 1940 B16R1.14049 CCOC(=O)[C@H](C)OCCc1cccnc1 7a_100000751109_200011713674 [0,1,0,0,0,0|3,0,0]=4 1941 B16R1.14049 CCOC(=O)[C@H](C)OCCc1ccncc1 7a_100000751109_100000723409 [0,1,0,0,0,0|3,0,0]=4 1942 B16R1.14049 CCSC(=O)[C@H](C)NCCc1ccccc1 2230a_100103168634_100000765856 [0,1,0,0,0,0|3,0,0]=4 1943 B16R1.14049 COCC(=O)C(C)CCCc1ccccc1 1458a_100000210968_200010759516 [0,1,0,0,0,0|3,0,0]=4 1944 B16R1.14049 CSCC(=O)C(C)CCCc1ccccc1 1458a_100000184570_200010759516 [0,1,0,0,0,0|3,0,0]=4 1945 B16R1.17844 CC(C)(CCCBr)OCCc1ccccc1 7a_100009888830_100000765856 [0,1,0,0,0,0|2,0,0]=3 1946 B16R1.17844 CC(C)(CCCBr)OCCc1ccccn1 7a_100009888830_100015183660 [0,1,0,0,0,0|3,0,0]=4 1947 B16R1.17844 CC(C)(CCCBr)OCCc1cccnc1 7a_100009888830_200011713674 [0,1,0,0,0,0|3,0,0]=4 1948 B16R1.17844 CC(C)(CCCBr)OCCc1ccncc1 7a_100009888830_100000723409 [0,1,0,0,0,0|3,0,0]=4 1949 B16R1.17844 CCCCC(C)(C)COCc1ccccc1 7a_200011995781_100000211182 [0,1,0,0,0,0|3,0,0]=4 1950 B16R1.17844 CCCCC(C)(C)OCCc1ccccc1 7a_100011219641_100000765856 [0,1,0,0,0,0|1,0,0]=2 1951 B16R1.17844 CCCCC(C)(C)OCCc1ccccn1 7a_100011219641_100015183660 [0,1,0,0,0,0|2,0,0]=3 1952 B16R1.17844 CCCCC(C)(C)OCCc1cccnc1 7a_100011219641_200011713674 [0,1,0,0,0,0|2,0,0]=3 1953 B16R1.17844 CCCCC(C)(C)OCCc1ccncc1 7a_100011219641_100000723409 [0,1,0,0,0,0|2,0,0]=3 1954 B16R1.18213 C=C(C)CCC(C)NCCc1ccccc1 270004a_100000106460_100011215600 [0,1,0,0,0,0|2,0,1]=4 1955 B16R1.18213 C=C(C)COC(C)CCCc1ccccc1 34a_100000210245_200010759516 [0,1,0,0,0,0|1,0,1]=3 1956 B16R1.18213 C=C(C)COC(C)COCc1ccccc1 34a_100000764311_100000748629 [0,1,0,0,0,0|2,0,1]=4 1957 B16R1.18213 C=C(C)COC(C)COCc1ccccc1 7a_100000764311_100000748629 [0,1,0,0,0,0|2,0,1]=4 1958 B16R1.18213 C=C(C)CSC(C)CCCc1ccccc1 62a_100000748629_200010759516 [0,1,0,0,0,0|1,1,1]=4 1959 B16R1.18213 C=C(C)CSC(C)CCCc1ccccc1 62a_200010759516_100000211660 [0,1,0,0,0,0|1,1,1]=4 1960 B16R1.18213 C=C(F)COC(C)CCCc1ccccc1 34a_200010262243_200010759516 [0,1,0,0,0,0|1,0,2]=4 1961 B16R1.18213 CC(=O)COC(C)CCCc1ccccc1 34a_100000211253_200010759516 [0,1,0,0,0,0|1,0,1]=3 1962 B16R1.18213 CC(Br)COC(C)CCCc1ccccc1 34a_100012180447_200010759516 [0,1,0,0,0,0|1,0,0]=2 1963 B16R1.18213 CC(C)CCC(C)NCCc1ccccc1 2230a_100000106460_100011261404 [0,1,0,0,0,0|2,0,0]=3 1964 B16R1.18213 CC(C)CCC(C)NCCc1ccccc1 2230a_100138410893_100000765856 [0,1,0,0,0,0|2,0,0]=3 1965 B16R1.18213 CC(C)CCC(C)NCCc1ccccc1 270004a_100000106460_100000210476 [0,1,0,0,0,0|2,0,0]=3 1966 B16R1.18213 CC(C)CCC(C)NCCc1ccccc1 34a_100000106460_100011261404 [0,1,0,0,0,0|2,0,0]=3 1967 B16R1.18213 CC(C)CCC(C)NCCc1ccccn1 2230a_100138410893_100015183660 [0,1,0,0,0,0|3,0,0]=4 1968 B16R1.18213 CC(C)CCC(C)NCCc1ccccn1 270004a_100000211156_100000210476 [0,1,0,0,0,0|3,0,0]=4 1969 B16R1.18213 CC(C)CCC(C)NCCc1cccnc1 2230a_100000736294_100011261404 [0,1,0,0,0,0|3,0,0]=4 1970 B16R1.18213 CC(C)CCC(C)NCCc1cccnc1 2230a_100138410893_200011713674 [0,1,0,0,0,0|3,0,0]=4 1971 B16R1.18213 CC(C)CCC(C)NCCc1cccnc1 270004a_100000736294_100000210476 [0,1,0,0,0,0|3,0,0]=4 1972 B16R1.18213 CC(C)CCC(C)NCCc1ccncc1 2230a_100138410893_100000723409 [0,1,0,0,0,0|3,0,0]=4 1973 B16R1.18213 CC(C)CCC(C)NCCc1ccncc1 270004a_100000742849_100000210476 [0,1,0,0,0,0|3,0,0]=4 1974 B16R1.18213 CC(C)CCC(C)NCSc1ccccc1 2230a_100138410893_100011218342 [0,1,0,0,0,0|3,0,0]=4 1975 B16R1.18213 CC(C)CCC(C)OCCc1ccccc1 34a_100000210268_100011261404 [0,1,0,0,0,0|1,0,0]=2 1976 B16R1.18213 CC(C)CCC(C)OCCc1ccccc1 34a_100011215350_100000765856 [0,1,0,0,0,0|1,0,0]=2 1977 B16R1.18213 CC(C)CCC(C)OCCc1ccccc1 7a_100011215350_100000765856 [0,1,0,0,0,0|1,0,0]=2 1978 B16R1.18213 CC(C)CCC(C)OCCc1ccccn1 34a_100000210271_100011261404 [0,1,0,0,0,0|2,0,0]=3 1979 B16R1.18213 CC(C)CCC(C)OCCc1ccccn1 7a_100011215350_100015183660 [0,1,0,0,0,0|2,0,0]=3 1980 B16R1.18213 CC(C)CCC(C)OCCc1cccnc1 34a_100011217484_100011261404 [0,1,0,0,0,0|2,0,0]=3 1981 B16R1.18213 CC(C)CCC(C)OCCc1cccnc1 7a_100011215350_200011713674 [0,1,0,0,0,0|2,0,0]=3 1982 B16R1.18213 CC(C)CCC(C)OCCc1ccncc1 34a_100011216225_100011261404 [0,1,0,0,0,0|2,0,0]=3 1983 B16R1.18213 CC(C)CCC(C)OCCc1ccncc1 7a_100011215350_100000723409 [0,1,0,0,0,0|2,0,0]=3 1984 B16R1.18213 CC(C)CCC(C)OCCc1cnccn1 34a_100011349526_100011261404 [0,1,0,0,0,0|3,0,0]=4 1985 B16R1.18213 CC(C)CCC(C)OCCc1cncnc1 34a_100011709255_100011261404 [0,1,0,0,0,0|3,0,0]=4 1986 B16R1.18213 CC(C)CCC(C)SCCc1ccccc1 62a_100000765856_100011261404 [0,1,0,0,0,0|1,1,0]=3 1987 B16R1.18213 CC(C)CCC(C)SCCc1ccccc1 62a_100011261404_100011218657 [0,1,0,0,0,0|1,1,0]=3 1988 B16R1.18213 CC(C)CCC(C)SCCc1ccccn1 62a_100011261404_100015183660 [0,1,0,0,0,0|2,1,0]=4 1989 B16R1.18213 CC(C)CCC(C)SCCc1ccccn1 62a_100015183660_100011261404 [0,1,0,0,0,0|2,1,0]=4 1990 B16R1.18213 CC(C)CCC(C)SCCc1cccnc1 62a_100011261404_200011713674 [0,1,0,0,0,0|2,1,0]=4 1991 B16R1.18213 CC(C)CCC(C)SCCc1cccnc1 62a_200011713674_100011261404 [0,1,0,0,0,0|2,1,0]=4 1992 B16R1.18213 CC(C)CCC(C)SCCc1ccncc1 62a_100000723409_100011261404 [0,1,0,0,0,0|2,1,0]=4 1993 B16R1.18213 CC(C)CCC(C)SCCc1ccncc1 62a_100011261404_100000723409 [0,1,0,0,0,0|2,1,0]=4 1994 B16R1.18213 CC(C)CCN(C)CCCc1ccccc1 2230a_100000693637_100000210312 [0,1,0,0,0,0|3,0,0]=4 1995 B16R1.18213 CC(C)CCN(C)CCCc1ccccc1 2230a_100000742789_100000211621 [0,1,0,0,0,0|3,0,0]=4 1996 B16R1.18213 CC(C)CCN(C)CCCc1ccccc1 269982a_100000693637_100000210312 [0,1,0,0,0,0|3,0,0]=4 1997 B16R1.18213 CC(C)CCN(C)CCCc1ccccc1 269982a_100000742789_100000211621 [0,1,0,0,0,0|3,0,0]=4 1998 B16R1.18213 CC(C)CNC(C)CCCc1ccccc1 2230a_100000210953_200010759516 [0,1,0,0,0,0|2,0,0]=3 1999 B16R1.18213 CC(C)CNC(C)CCCc1ccccc1 34a_100000210953_200010759516 [0,1,0,0,0,0|2,0,0]=3 2000 B16R1.18213 CC(C)CNC(C)COCc1ccccc1 270004a_100000210953_100011215004 [0,1,0,0,0,0|3,0,0]=4 2001 B16R1.18213 CC(C)CNC(C)CSCc1ccccc1 270004a_100000210953_100000172147 [0,1,0,0,0,0|3,0,0]=4 2002 B16R1.18213 CC(C)COC(C)CCCc1ccccc1 34a_100000210257_200010759516 [0,1,0,0,0,0|1,0,0]=2 2003 B16R1.18213 CC(C)COC(C)COCc1ccccc1 34a_100000764311_100000210624 [0,1,0,0,0,0|2,0,0]=3 2004 B16R1.18213 CC(C)COC(C)COCc1ccccc1 7a_100000764311_100000210760 [0,1,0,0,0,0|2,0,0]=3 2005 B16R1.18213 CC(C)CSC(C)CCCc1ccccc1 62a_100000210624_200010759516 [0,1,0,0,0,0|1,1,0]=3 2006 B16R1.18213 CC(C)CSC(C)CCCc1ccccc1 62a_200010759516_100000210760 [0,1,0,0,0,0|1,1,0]=3 2007 B16R1.18213 CC(CCCc1ccccc1)NCC(F)F 34a_100000765723_200010759516 [0,1,0,0,0,0|3,0,0]=4 2008 B16R1.18213 CC(CCCc1ccccc1)OCC(F)F 34a_100000743014_200010759516 [0,1,0,0,0,0|2,0,0]=3 2009 B16R1.18213 CC(CCCc1ccccc1)OC[C@@H](C)Cl 34a_100016084084_200010759516 [0,1,0,0,0,0|1,0,0]=2 2010 B16R1.18213 CC(CCCc1ccccc1)OC[C@@H](C)N 34a_100000737577_200010759516 [0,1,0,0,0,0|1,0,0]=2 2011 B16R1.18213 CC(CCCc1ccccc1)SCC(F)F 62a_100011934356_200010759516 [0,1,0,0,0,0|2,1,0]=4 2012 B16R1.18213 CC(CCCc1ccccc1)SCC(F)F 62a_200010759516_100011934356 [0,1,0,0,0,0|2,1,0]=4 2013 B16R1.18213 CC(CCCc1ccccc1)SC[C@@H](C)O 62a_100009817552_200010759516 [0,1,0,0,0,0|1,1,0]=3 2014 B16R1.18213 CC(CCCc1ccccc1)SC[C@@H](C)O 62a_200010759516_100009817552 [0,1,0,0,0,0|1,1,0]=3 2015 B16R1.18213 CC(COCc1ccccc1)OCC(F)F 34a_100000764311_100011934356 [0,1,0,0,0,0|3,0,0]=4 2016 B16R1.18213 CC(COCc1ccccc1)OCC(F)F 7a_100000764311_100011934356 [0,1,0,0,0,0|3,0,0]=4 2017 B16R1.18213 CC(COCc1ccccc1)OC[C@@H](C)O 34a_100000764311_100009817552 [0,1,0,0,0,0|2,0,0]=3 2018 B16R1.18213 CC(COCc1ccccc1)OC[C@@H](C)O 7a_100000764311_100009817552 [0,1,0,0,0,0|2,0,0]=3 2019 B16R1.18213 CC(F)COC(C)CCCc1ccccc1 34a_100015925927_200010759516 [0,1,0,0,0,0|1,0,0]=2 2020 B16R1.18213 CC(O)CCN(C)CCCc1ccccc1 2230a_100000693637_100012276601 [0,1,0,0,0,0|3,0,0]=4 2021 B16R1.18213 CC(O)CCN(C)CCCc1ccccc1 269982a_100000693637_100012276601 [0,1,0,0,0,0|3,0,0]=4 2022 B16R1.18213 CC(O)CNC(C)CCCc1ccccc1 2230a_100000210904_200010759516 [0,1,0,0,0,0|2,0,0]=3 2023 B16R1.18213 CC(O)CNC(C)CCCc1ccccc1 34a_100000210904_200010759516 [0,1,0,0,0,0|2,0,0]=3 2024 B16R1.18213 CC(O)CNC(C)COCc1ccccc1 270004a_100000210904_100011215004 [0,1,0,0,0,0|3,0,0]=4 2025 B16R1.18213 CC(O)CNC(C)CSCc1ccccc1 270004a_100000210904_100000172147 [0,1,0,0,0,0|3,0,0]=4 2026 B16R1.18213 CC(O)COC(C)COCc1ccccc1 34a_100000764311_100011218427 [0,1,0,0,0,0|2,0,0]=3 2027 B16R1.18213 CC(O)COC(C)COCc1ccccc1 7a_100000764311_100011218427 [0,1,0,0,0,0|2,0,0]=3 2028 B16R1.18213 CC(O)CSC(C)CCCc1ccccc1 62a_100011218427_200010759516 [0,1,0,0,0,0|1,1,0]=3 2029 B16R1.18213 CC(O)CSC(C)CCCc1ccccc1 62a_200010759516_100011218427 [0,1,0,0,0,0|1,1,0]=3 2030 B16R2.37 CCCCN(C)C1CCc2c1cccc2 2230a_100000207549_200000721974 [0,0,0,1,0,0|3,0,0]=4 2031 B16R2.37 CCCCN(C)C1CCc2c1cccc2 269982a_100000207549_200000721974 [0,0,0,1,0,0|3,0,0]=4 2032 B16R2.71 CC1CCCCC1NCc2ccccc2 207a_100000211402_100015611070 [0,0,0,1,0,0|3,0,0]=4 2033 B16R2.71 CC1CCCCC1NCc2ccccc2 2230a_100000211402_100015291786 [0,0,0,1,0,0|3,0,0]=4 2034 B16R2.71 CC1CCCCC1NCc2ccccc2 269862a_100015324214_100000210921 [0,0,0,1,0,0|3,0,0]=4 2035 B16R2.71 CC1CCCCC1NCc2ccccc2 270004a_100000211402_100015611070 [0,0,0,1,0,0|3,0,0]=4 2036 B16R2.71 CC1CCCCC1NCc2ccccc2 270004a_100015324214_100000210921 [0,0,0,1,0,0|3,0,0]=4 2037 B16R2.71 CC1CCCCC1NCc2ccccc2 34a_100000211402_100015291786 [0,0,0,1,0,0|3,0,0]=4 2038 B16R2.71 CC1CCCCC1OCc2ccccc2 34a_100000211207_100015291786 [0,0,0,1,0,0|3,0,0]=4 2039 B16R2.71 CC1CCCCC1OCc2ccccc2 7a_100000211207_100000211182 [0,0,0,1,0,0|3,0,0]=4 2040 B16R2.71 CC1CCCCN1CCc2ccccc2 2230a_100000211376_100000765856 [0,0,0,1,0,0|2,0,0]=3 2041 B16R2.71 CC1CCCCN1CCc2ccccc2 269982a_100000211376_100000765856 [0,0,0,1,0,0|2,0,0]=3 2042 B16R2.71 CC1CCCCN1CCc2ccccc2 34a_100000211376_100000765856 [0,0,0,1,0,0|2,0,0]=3 2043 B16R2.71 CC1CCCCN1CCc2ccccn2 2230a_100000211376_100015183660 [0,0,0,1,0,0|3,0,0]=4 2044 B16R2.71 CC1CCCCN1CCc2ccccn2 269982a_100000211376_100015183660 [0,0,0,1,0,0|3,0,0]=4 2045 B16R2.71 CC1CCCCN1CCc2cccnc2 2230a_100000211376_200011713674 [0,0,0,1,0,0|3,0,0]=4 2046 B16R2.71 CC1CCCCN1CCc2cccnc2 269982a_100000211376_200011713674 [0,0,0,1,0,0|3,0,0]=4 2047 B16R2.71 CC1CCCCN1CCc2ccncc2 2230a_100000211376_100000723409 [0,0,0,1,0,0|3,0,0]=4 2048 B16R2.71 CC1CCCCN1CCc2ccncc2 269982a_100000211376_100000723409 [0,0,0,1,0,0|3,0,0]=4 2049 B16R2.71 CC1CCCCN1CSc2ccccc2 2230a_100000211376_100011218342 [0,0,0,1,0,0|3,0,0]=4 2050 B16R2.71 CC1CCCCN1CSc2ccccc2 269982a_100000211376_100011218342 [0,0,0,1,0,0|3,0,0]=4 2051 B16R2.71 CN1CCCCC1CCc2ccccc2 2230a_100025719017_200000210301 [0,0,0,1,0,0|3,0,0]=4 2052 B16R2.71 CN1CCCCC1CCc2ccccc2 269982a_100025719017_200000210301 [0,0,0,1,0,0|3,0,0]=4 2053 B16R2.71 CN1CCCCC1CCc2ccccc2 34a_100025719017_200000210301 [0,0,0,1,0,0|3,0,0]=4 2054 B16R2.71 C[C@H]1COCCN1CCc2ccccc2 2230a_100009815349_100000765856 [0,0,0,1,0,0|3,0,0]=4 2055 B16R2.71 C[C@H]1COCCN1CCc2ccccc2 269982a_100009815349_100000765856 [0,0,0,1,0,0|3,0,0]=4 2056 B16R2.71 C[C@H]1COCCN1CCc2ccccc2 34a_100009815349_100000765856 [0,0,0,1,0,0|3,0,0]=4 2057 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 2230a_100025719017_200025704644 [0,0,0,1,0,0|3,0,0]=4 2058 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 269982a_100025719017_200025704644 [0,0,0,1,0,0|3,0,0]=4 2059 B16R2.71 [13CH3]N1CCCCC1CCc2ccccc2 34a_100025719017_200025704644 [0,0,0,1,0,0|3,0,0]=4 2060 B16R2.118 CCCOC1CN(C1)Cc2ccccc2 269982a_200020626125_100000211182 [0,0,0,1,0,0|2,0,0]=3 2061 B16R2.118 CCCOC1CN(C1)Cc2ccccc2 270004a_200020626125_100015611070 [0,0,0,1,0,0|2,0,0]=3 2062 B16R2.118 CCCOC1CN(C1)Cc2ccccc2 34a_200020626125_100015291786 [0,0,0,1,0,0|2,0,0]=3 2063 B16R2.118 CCCOC1CN(C1)Cc2ccccn2 269982a_200020626125_100000721315 [0,0,0,1,0,0|3,0,0]=4 2064 B16R2.118 CCCOC1CN(C1)Cc2ccccn2 270004a_200020626125_100000209966 [0,0,0,1,0,0|3,0,0]=4 2065 B16R2.118 CCCOC1CN(C1)Cc2ccccn2 34a_200020626125_100000721315 [0,0,0,1,0,0|3,0,0]=4 2066 B16R2.118 CCCOC1CN(C1)Cc2cccnc2 269982a_200020626125_100000733263 [0,0,0,1,0,0|3,0,0]=4 2067 B16R2.118 CCCOC1CN(C1)Cc2cccnc2 270004a_200020626125_100000209961 [0,0,0,1,0,0|3,0,0]=4 2068 B16R2.118 CCCOC1CN(C1)Cc2cccnc2 34a_200020626125_100000733263 [0,0,0,1,0,0|3,0,0]=4 2069 B16R2.118 CCCOC1CN(C1)Cc2ccncc2 269982a_200020626125_100015193705 [0,0,0,1,0,0|3,0,0]=4 2070 B16R2.150 CCCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210211 [0,0,0,1,0,0|3,0,0]=4 2071 B16R2.150 CCCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210211 [0,0,0,1,0,0|3,0,0]=4 2072 B16R2.150 CCCCN1CCC(C1)c2ccccc2 34a_100000747531_100000210210 [0,0,0,1,0,0|3,0,0]=4 2073 B16R2.150 CCCNC1CCC(C1)c2ccccc2 270004a_100020643023_100000750937 [0,0,0,1,0,0|2,0,0]=3 2074 B16R2.150 OCCNC1CCC(C1)c2ccccc2 270004a_100000210304_100000750937 [0,0,0,1,0,0|3,0,0]=4 2075 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2 2230a_100016991869_100015291786 [0,0,0,1,0,0|2,0,0]=3 2076 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2 269982a_100016991869_100000211182 [0,0,0,1,0,0|2,0,0]=3 2077 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2 270004a_100016991869_100015611070 [0,0,0,1,0,0|2,0,0]=3 2078 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2 34a_100016991869_100015291786 [0,0,0,1,0,0|2,0,0]=3 2079 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccn2 2230a_100016991869_100000721315 [0,0,0,1,0,0|3,0,0]=4 2080 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccn2 269982a_100016991869_100000721315 [0,0,0,1,0,0|3,0,0]=4 2081 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccn2 270004a_100016991869_100000209966 [0,0,0,1,0,0|3,0,0]=4 2082 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccn2 34a_100016991869_100000721315 [0,0,0,1,0,0|3,0,0]=4 2083 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2cccnc2 2230a_100016991869_100000741622 [0,0,0,1,0,0|3,0,0]=4 2084 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2cccnc2 269982a_100016991869_100000733263 [0,0,0,1,0,0|3,0,0]=4 2085 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2cccnc2 270004a_100016991869_100000209961 [0,0,0,1,0,0|3,0,0]=4 2086 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2cccnc2 34a_100016991869_100000733263 [0,0,0,1,0,0|3,0,0]=4 2087 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccncc2 2230a_100016991869_100015193705 [0,0,0,1,0,0|3,0,0]=4 2088 B16R2.317 C[C@@H]1CN([C@@H](CO1)C)Cc2ccncc2 269982a_100016991869_100015193705 [0,0,0,1,0,0|3,0,0]=4 2089 B16R2.1294 CCCCN1CCCc2ccccc2C1 2230a_100000059810_100000210211 [0,0,0,1,0,0|3,0,0]=4 2090 B16R2.1294 CCCCN1CCCc2ccccc2C1 269982a_100000059810_100000210211 [0,0,0,1,0,0|3,0,0]=4 2091 B16R2.1294 CCCCN1CCCc2ccccc2C1 34a_100000059810_100000210210 [0,0,0,1,0,0|3,0,0]=4 2092 B16R2.1878 CCC1CN(C1)CCCc2ccccc2 2230a_100015205115_100000211621 [0,0,0,1,0,0|3,0,0]=4 2093 B16R2.1878 CCC1CN(C1)CCCc2ccccc2 269982a_100015205115_100000211621 [0,0,0,1,0,0|3,0,0]=4 2094 B16R2.1878 CCN1CC(C1)NCCc2ccccc2 2230a_200015199589_100000765856 [0,0,0,1,0,0|3,0,0]=4 2095 B16R2.1878 CO[C@H]1C[C@@H](C1)NCCc2ccccc2 2230a_100121570643_100000765856 [0,0,0,1,0,0|3,0,0]=4 2096 B16R2.1878 OCC1CC(C1)NCCc2ccccc2 270004a_100000106460_100000101936 [0,0,0,1,0,0|3,0,0]=4 2097 B16R2.1878 OCC1CC(C1)SCCc2ccccc2 62a_100000765856_100009874164 [0,0,0,1,0,0|2,1,0]=4 2098 B16R2.1878 OCC1CC(C1)SCCc2ccccc2 62a_100009874164_100011218657 [0,0,0,1,0,0|2,1,0]=4 2099 B16R2.2256 C1=CC(CCC1)NCCc2ccccc2 2230a_100000106460_100000751183 [0,0,0,1,0,0|2,0,1]=4 2100 B16R2.2256 C1=CC(CCC1)OCCc2ccccc2 34a_100011215024_100000765856 [0,0,0,1,0,0|1,0,1]=3 2101 B16R2.2256 C1=CC(CCC1)OCCc2ccccc2 7a_100000210268_100000751183 [0,0,0,1,0,0|1,0,1]=3 2102 B16R2.2256 C1=CC(CCC1)SCCc2ccccc2 62a_100000751183_100011218657 [0,0,0,1,0,0|1,1,1]=4 2103 B16R2.2256 C1=CC(CCC1)SCCc2ccccc2 62a_100000765856_100000751183 [0,0,0,1,0,0|1,1,1]=4 2104 B16R2.2256 C1=CCC(CC1)OCCc2ccccc2 34a_100000073881_100000765856 [0,0,0,1,0,0|1,0,2]=4 2105 B16R2.2256 c1cc(ccn1)CCNC2CCCCC2 2230a_100000182618_100000723409 [0,0,0,1,0,0|3,0,0]=4 2106 B16R2.2256 c1cc(ccn1)CCNC2CCCCC2 270004a_100000742849_100000210434 [0,0,0,1,0,0|3,0,0]=4 2107 B16R2.2256 c1cc(ccn1)CCOC2CCCCC2 34a_100011216225_100000210327 [0,0,0,1,0,0|2,0,0]=3 2108 B16R2.2256 c1cc(ccn1)CCOC2CCCCC2 7a_100000210231_100000723409 [0,0,0,1,0,0|2,0,0]=3 2109 B16R2.2256 c1cc(ccn1)CCOC2CCCOC2 34a_100011216225_100000693364 [0,0,0,1,0,0|3,0,0]=4 2110 B16R2.2256 c1cc(ccn1)CCOC2CCCSC2 7a_100015962668_100000723409 [0,0,0,1,0,0|3,0,0]=4 2111 B16R2.2256 c1cc(ccn1)CCOC2CCSCC2 34a_100011216225_100000069128 [0,0,0,1,0,0|3,0,0]=4 2112 B16R2.2256 c1cc(ccn1)CCOC2CCSCC2 7a_100000731022_100000723409 [0,0,0,1,0,0|3,0,0]=4 2113 B16R2.2256 c1cc(ccn1)CCSC2CCCCC2 62a_100000210327_100000723409 [0,0,0,1,0,0|2,1,0]=4 2114 B16R2.2256 c1cc(ccn1)CCSC2CCCCC2 62a_100000723409_100000210327 [0,0,0,1,0,0|2,1,0]=4 2115 B16R2.2256 c1cc(ccn1)CNCC2CCCCO2 207a_100000174945_100000186114 [0,0,0,1,0,0|3,0,0]=4 2116 B16R2.2256 c1cc(ccn1)CNCC2CCCCO2 2230a_100000174945_100015193705 [0,0,0,1,0,0|3,0,0]=4 2117 B16R2.2256 c1cc(ccn1)COCC2CCCCO2 7a_100000211370_100015193705 [0,0,0,1,0,0|3,0,0]=4 2118 B16R2.2256 c1cc(ccn1)CSCC2CCCCO2 62a_100000211543_100015193705 [0,0,0,1,0,0|3,0,0]=4 2119 B16R2.2256 c1cc(ccn1)CSCC2CCCCO2 62a_100015193705_100000211543 [0,0,0,1,0,0|3,0,0]=4 2120 B16R2.2256 c1cc(ccn1)OCOC2CCCCC2 34a_100000212176_100011935260 [0,0,0,1,0,0|3,0,0]=4 2121 B16R2.2256 c1cc(ccn1)SCOC2CCCCC2 62a_100000728582_100011935260 [0,0,0,1,0,0|3,0,0]=4 2122 B16R2.2256 c1cc(ccn1)SCOC2CCCCC2 62a_100011935260_100000728582 [0,0,0,1,0,0|3,0,0]=4 2123 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100000765856 [0,0,0,1,0,0|2,0,0]=3 2124 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 270004a_100000106460_100000210434 [0,0,0,1,0,0|2,0,0]=3 2125 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 34a_100000106460_100000210327 [0,0,0,1,0,0|2,0,0]=3 2126 B16R2.2256 c1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100000765856 [0,0,0,1,0,0|2,0,0]=3 2127 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 2230a_100000719290_100000765856 [0,0,0,1,0,0|3,0,0]=4 2128 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 270004a_100000106460_100000753404 [0,0,0,1,0,0|3,0,0]=4 2129 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 34a_100000106460_100000693364 [0,0,0,1,0,0|3,0,0]=4 2130 B16R2.2256 c1ccc(cc1)CCNC2CCCOC2 34a_100000719290_100000765856 [0,0,0,1,0,0|3,0,0]=4 2131 B16R2.2256 c1ccc(cc1)CCNC2CCCSC2 270004a_100000106460_100000057913 [0,0,0,1,0,0|3,0,0]=4 2132 B16R2.2256 c1ccc(cc1)CCNC2CCNCC2 270004a_100000106460_100015192401 [0,0,0,1,0,0|3,0,0]=4 2133 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 2230a_100000741149_100000765856 [0,0,0,1,0,0|3,0,0]=4 2134 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 270004a_100000106460_100011217826 [0,0,0,1,0,0|3,0,0]=4 2135 B16R2.2256 c1ccc(cc1)CCNC2CCOCC2 34a_100000741149_100000765856 [0,0,0,1,0,0|3,0,0]=4 2136 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 2230a_100000748639_100000765856 [0,0,0,1,0,0|3,0,0]=4 2137 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 270004a_100000106460_100000203788 [0,0,0,1,0,0|3,0,0]=4 2138 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 34a_100000106460_100000069128 [0,0,0,1,0,0|3,0,0]=4 2139 B16R2.2256 c1ccc(cc1)CCNC2CCSCC2 34a_100000748639_100000765856 [0,0,0,1,0,0|3,0,0]=4 2140 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100000765856 [0,0,0,1,0,0|1,0,0]=2 2141 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 34a_100000210268_100000210327 [0,0,0,1,0,0|1,0,0]=2 2142 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100000765856 [0,0,0,1,0,0|1,0,0]=2 2143 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 7a_100000210268_100000210327 [0,0,0,1,0,0|1,0,0]=2 2144 B16R2.2256 c1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100000765856 [0,0,0,1,0,0|0,0,0]=1 2145 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 34a_100000210268_100000693364 [0,0,0,1,0,0|2,0,0]=3 2146 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100000765856 [0,0,0,1,0,0|2,0,0]=3 2147 B16R2.2256 c1ccc(cc1)CCOC2CCCOC2 7a_100000210268_100000693364 [0,0,0,1,0,0|2,0,0]=3 2148 B16R2.2256 c1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100000765856 [0,0,0,1,0,0|2,0,0]=3 2149 B16R2.2256 c1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100000765856 [0,0,0,1,0,0|2,0,0]=3 2150 B16R2.2256 c1ccc(cc1)CCOC2CCOCC2 7a_100000210268_100000686592 [0,0,0,1,0,0|2,0,0]=3 2151 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 34a_100000210268_100000069128 [0,0,0,1,0,0|2,0,0]=3 2152 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100000765856 [0,0,0,1,0,0|2,0,0]=3 2153 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 7a_100000210268_100011500858 [0,0,0,1,0,0|2,0,0]=3 2154 B16R2.2256 c1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100000765856 [0,0,0,1,0,0|2,0,0]=3 2155 B16R2.2256 c1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011218657 [0,0,0,1,0,0|1,1,0]=3 2156 B16R2.2256 c1ccc(cc1)CCSC2CCCCC2 62a_100000765856_100000210327 [0,0,0,1,0,0|1,1,0]=3 2157 B16R2.2256 c1ccc(cc1)CCSC2CCCOC2 62a_100000765856_100000693364 [0,0,0,1,0,0|2,1,0]=4 2158 B16R2.2256 c1ccc(cc1)CCSC2CCOCC2 62a_100000765856_100011324220 [0,0,0,1,0,0|2,1,0]=4 2159 B16R2.2256 c1ccc(cc1)CCSC2CCSCC2 62a_100000765856_100000069128 [0,0,0,1,0,0|2,1,0]=4 2160 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 207a_100000210473_100015611070 [0,0,0,1,0,0|3,0,0]=4 2161 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 2230a_100000210473_100015291786 [0,0,0,1,0,0|3,0,0]=4 2162 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 2230a_100015324214_100000211423 [0,0,0,1,0,0|3,0,0]=4 2163 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 269862a_100015324214_100000211278 [0,0,0,1,0,0|3,0,0]=4 2164 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 270004a_100000210473_100015611070 [0,0,0,1,0,0|3,0,0]=4 2165 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 34a_100000210473_100015291786 [0,0,0,1,0,0|3,0,0]=4 2166 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 34a_100015324214_100000211423 [0,0,0,1,0,0|3,0,0]=4 2167 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100015611070 [0,0,0,1,0,0|2,0,0]=3 2168 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100015291786 [0,0,0,1,0,0|2,0,0]=3 2169 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 2230a_100015324214_100000211543 [0,0,0,1,0,0|2,0,0]=3 2170 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100015611070 [0,0,0,1,0,0|2,0,0]=3 2171 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100015291786 [0,0,0,1,0,0|2,0,0]=3 2172 B16R2.2256 c1ccc(cc1)CNCC2CCCCO2 34a_100015324214_100000211543 [0,0,0,1,0,0|2,0,0]=3 2173 B16R2.2256 c1ccc(cc1)CNC[C@H]2COCCO2 207a_100010981119_100015611070 [0,0,0,1,0,0|3,0,0]=4 2174 B16R2.2256 c1ccc(cc1)CNC[C@H]2COCCO2 2230a_100010981119_100015291786 [0,0,0,1,0,0|3,0,0]=4 2175 B16R2.2256 c1ccc(cc1)CNC[C@H]2COCCO2 270004a_100010981119_100015611070 [0,0,0,1,0,0|3,0,0]=4 2176 B16R2.2256 c1ccc(cc1)CNC[C@H]2COCCO2 34a_100010981119_100015291786 [0,0,0,1,0,0|3,0,0]=4 2177 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 34a_100000210790_100000211423 [0,0,0,1,0,0|3,0,0]=4 2178 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 34a_100000212181_100015291786 [0,0,0,1,0,0|3,0,0]=4 2179 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 7a_100000210790_100000211423 [0,0,0,1,0,0|3,0,0]=4 2180 B16R2.2256 c1ccc(cc1)COCC2CCCCC2 7a_100000212181_100000211182 [0,0,0,1,0,0|3,0,0]=4 2181 B16R2.2256 c1ccc(cc1)COCC2CCCCN2 34a_100000210821_100015291786 [0,0,0,1,0,0|3,0,0]=4 2182 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 34a_100000210790_100000211543 [0,0,0,1,0,0|2,0,0]=3 2183 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 34a_100000211370_100015291786 [0,0,0,1,0,0|2,0,0]=3 2184 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 7a_100000210790_100000211543 [0,0,0,1,0,0|2,0,0]=3 2185 B16R2.2256 c1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000211182 [0,0,0,1,0,0|2,0,0]=3 2186 B16R2.2256 c1ccc(cc1)COC[C@@H]2CNCCO2 34a_100015189573_100015291786 [0,0,0,1,0,0|3,0,0]=4 2187 B16R2.2256 c1ccc(cc1)COC[C@H]2COCCO2 34a_100009875890_100015291786 [0,0,0,1,0,0|3,0,0]=4 2188 B16R2.2256 c1ccc(cc1)CSCC2CCCCC2 62a_100000211182_100000211423 [0,0,0,1,0,0|3,0,0]=4 2189 B16R2.2256 c1ccc(cc1)CSCC2CCCCC2 62a_100000211423_100015291786 [0,0,0,1,0,0|3,0,0]=4 2190 B16R2.2256 c1ccc(cc1)CSCC2CCCCO2 62a_100000211182_100000211543 [0,0,0,1,0,0|2,0,0]=3 2191 B16R2.2256 c1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100015291786 [0,0,0,1,0,0|2,0,0]=3 2192 B16R2.2256 c1ccc(cc1)NCCC2CCCCC2 34a_100000106764_100011209188 [0,0,0,1,0,0|3,0,0]=4 2193 B16R2.2256 c1ccc(cc1)NCCC2OCCCO2 34a_100000106764_100000764188 [0,0,0,1,0,0|3,0,0]=4 2194 B16R2.2256 c1ccc(cc1)NCOC2CCCCC2 34a_100000106764_100011935260 [0,0,0,1,0,0|2,0,0]=3 2195 B16R2.2256 c1ccc(cc1)OCCC2CCCCC2 34a_100000210340_100011209188 [0,0,0,1,0,0|3,0,0]=4 2196 B16R2.2256 c1ccc(cc1)OCCC2CCCCC2 7a_100000210340_100011273959 [0,0,0,1,0,0|3,0,0]=4 2197 B16R2.2256 c1ccc(cc1)OCCC2OCCCO2 34a_100000210340_100000764188 [0,0,0,1,0,0|3,0,0]=4 2198 B16R2.2256 c1ccc(cc1)OCCC2OCCCO2 7a_100000210340_100000764188 [0,0,0,1,0,0|3,0,0]=4 2199 B16R2.2256 c1ccc(cc1)OCOC2CCCCC2 34a_100000210340_100011935260 [0,0,0,1,0,0|2,0,0]=3 2200 B16R2.2256 c1ccc(cc1)OCOC2CCCCC2 7a_100000210340_100011935260 [0,0,0,1,0,0|2,0,0]=3 2201 B16R2.2256 c1ccc(cc1)SCCC2CCCCC2 62a_100000719477_100012355289 [0,0,0,1,0,0|3,0,0]=4 2202 B16R2.2256 c1ccc(cc1)SCCC2CCCCC2 62a_100012355289_100000041952 [0,0,0,1,0,0|3,0,0]=4 2203 B16R2.2256 c1ccc(cc1)SCCC2OCCCO2 62a_100000719477_100000764188 [0,0,0,1,0,0|3,0,0]=4 2204 B16R2.2256 c1ccc(cc1)SCCC2OCCCO2 62a_100000764188_100000041952 [0,0,0,1,0,0|3,0,0]=4 2205 B16R2.2256 c1ccc(cc1)SCNC2CCCCC2 2230a_100000182618_100011218342 [0,0,0,1,0,0|3,0,0]=4 2206 B16R2.2256 c1ccc(cc1)SCOC2CCCCC2 62a_100000719477_100011935260 [0,0,0,1,0,0|2,0,0]=3 2207 B16R2.2256 c1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000041952 [0,0,0,1,0,0|2,0,0]=3 2208 B16R2.2256 c1ccc(cc1)SCSC2CCCCC2 62a_100000210327_100011218342 [0,0,0,1,0,0|2,1,0]=4 2209 B16R2.2256 c1ccc(cc1)SCSC2CCCCC2 62a_100011218342_100000210327 [0,0,0,1,0,0|2,1,0]=4 2210 B16R2.2256 c1ccc(nc1)CCNC2CCCCC2 2230a_100000182618_100015183660 [0,0,0,1,0,0|3,0,0]=4 2211 B16R2.2256 c1ccc(nc1)CCNC2CCCCC2 270004a_100000211156_100000210434 [0,0,0,1,0,0|3,0,0]=4 2212 B16R2.2256 c1ccc(nc1)CCOC2CCCCC2 34a_100000210271_100000210327 [0,0,0,1,0,0|2,0,0]=3 2213 B16R2.2256 c1ccc(nc1)CCOC2CCCCC2 7a_100000210231_100015183660 [0,0,0,1,0,0|2,0,0]=3 2214 B16R2.2256 c1ccc(nc1)CCOC2CCCOC2 34a_100000210271_100000693364 [0,0,0,1,0,0|3,0,0]=4 2215 B16R2.2256 c1ccc(nc1)CCOC2CCCSC2 7a_100015962668_100015183660 [0,0,0,1,0,0|3,0,0]=4 2216 B16R2.2256 c1ccc(nc1)CCOC2CCSCC2 34a_100000210271_100000069128 [0,0,0,1,0,0|3,0,0]=4 2217 B16R2.2256 c1ccc(nc1)CCOC2CCSCC2 7a_100000731022_100015183660 [0,0,0,1,0,0|3,0,0]=4 2218 B16R2.2256 c1ccc(nc1)CCSC2CCCCC2 62a_100000210327_100015183660 [0,0,0,1,0,0|2,1,0]=4 2219 B16R2.2256 c1ccc(nc1)CCSC2CCCCC2 62a_100015183660_100000210327 [0,0,0,1,0,0|2,1,0]=4 2220 B16R2.2256 c1ccc(nc1)CNCC2CCCCO2 207a_100000174945_100000209966 [0,0,0,1,0,0|3,0,0]=4 2221 B16R2.2256 c1ccc(nc1)CNCC2CCCCO2 2230a_100000174945_100000721315 [0,0,0,1,0,0|3,0,0]=4 2222 B16R2.2256 c1ccc(nc1)CNCC2CCCCO2 270004a_100000174945_100000209966 [0,0,0,1,0,0|3,0,0]=4 2223 B16R2.2256 c1ccc(nc1)CNCC2CCCCO2 34a_100000174945_100000721315 [0,0,0,1,0,0|3,0,0]=4 2224 B16R2.2256 c1ccc(nc1)COCC2CCCCO2 34a_100000211370_100000721315 [0,0,0,1,0,0|3,0,0]=4 2225 B16R2.2256 c1ccc(nc1)COCC2CCCCO2 7a_100000211370_100000721315 [0,0,0,1,0,0|3,0,0]=4 2226 B16R2.2256 c1ccc(nc1)CSCC2CCCCO2 62a_100000211543_100000721315 [0,0,0,1,0,0|3,0,0]=4 2227 B16R2.2256 c1ccc(nc1)CSCC2CCCCO2 62a_100000721315_100000211543 [0,0,0,1,0,0|3,0,0]=4 2228 B16R2.2256 c1ccc(nc1)SCOC2CCCCC2 62a_100011216584_100011935260 [0,0,0,1,0,0|3,0,0]=4 2229 B16R2.2256 c1ccc(nc1)SCOC2CCCCC2 62a_100011935260_100011216584 [0,0,0,1,0,0|3,0,0]=4 2230 B16R2.2256 c1cnc(cn1)CCOC2CCCCC2 34a_100011349526_100000210327 [0,0,0,1,0,0|3,0,0]=4 2231 B16R2.2256 c1cncc(c1)CCNC2CCCCC2 2230a_100000182618_200011713674 [0,0,0,1,0,0|3,0,0]=4 2232 B16R2.2256 c1cncc(c1)CCNC2CCCCC2 270004a_100000736294_100000210434 [0,0,0,1,0,0|3,0,0]=4 2233 B16R2.2256 c1cncc(c1)CCOC2CCCCC2 34a_100011217484_100000210327 [0,0,0,1,0,0|2,0,0]=3 2234 B16R2.2256 c1cncc(c1)CCOC2CCCCC2 7a_100000210231_200011713674 [0,0,0,1,0,0|2,0,0]=3 2235 B16R2.2256 c1cncc(c1)CCOC2CCCOC2 34a_100011217484_100000693364 [0,0,0,1,0,0|3,0,0]=4 2236 B16R2.2256 c1cncc(c1)CCOC2CCCSC2 7a_100015962668_200011713674 [0,0,0,1,0,0|3,0,0]=4 2237 B16R2.2256 c1cncc(c1)CCOC2CCSCC2 34a_100011217484_100000069128 [0,0,0,1,0,0|3,0,0]=4 2238 B16R2.2256 c1cncc(c1)CCOC2CCSCC2 7a_100000731022_200011713674 [0,0,0,1,0,0|3,0,0]=4 2239 B16R2.2256 c1cncc(c1)CCSC2CCCCC2 62a_100000210327_200011713674 [0,0,0,1,0,0|2,1,0]=4 2240 B16R2.2256 c1cncc(c1)CCSC2CCCCC2 62a_200011713674_100000210327 [0,0,0,1,0,0|2,1,0]=4 2241 B16R2.2256 c1cncc(c1)CNCC2CCCCO2 207a_100000174945_100000209961 [0,0,0,1,0,0|3,0,0]=4 2242 B16R2.2256 c1cncc(c1)CNCC2CCCCO2 2230a_100000174945_100000741622 [0,0,0,1,0,0|3,0,0]=4 2243 B16R2.2256 c1cncc(c1)CNCC2CCCCO2 270004a_100000174945_100000209961 [0,0,0,1,0,0|3,0,0]=4 2244 B16R2.2256 c1cncc(c1)CNCC2CCCCO2 34a_100000174945_100000733263 [0,0,0,1,0,0|3,0,0]=4 2245 B16R2.2256 c1cncc(c1)COCC2CCCCO2 34a_100000211370_100000733263 [0,0,0,1,0,0|3,0,0]=4 2246 B16R2.2256 c1cncc(c1)COCC2CCCCO2 7a_100000211370_100000741622 [0,0,0,1,0,0|3,0,0]=4 2247 B16R2.2256 c1cncc(c1)CSCC2CCCCO2 62a_100000211543_100000741622 [0,0,0,1,0,0|3,0,0]=4 2248 B16R2.2256 c1cncc(c1)CSCC2CCCCO2 62a_100000741622_100000211543 [0,0,0,1,0,0|3,0,0]=4 2249 B16R2.2256 c1cncc(c1)OCOC2CCCCC2 34a_100000210849_100011935260 [0,0,0,1,0,0|3,0,0]=4 2250 B16R2.2256 c1cncc(c1)OCOC2CCCCC2 7a_100000210849_100011935260 [0,0,0,1,0,0|3,0,0]=4 2251 B16R2.2256 c1cncc(c1)SCOC2CCCCC2 62a_100000210063_100011935260 [0,0,0,1,0,0|3,0,0]=4 2252 B16R2.2256 c1cncc(c1)SCOC2CCCCC2 62a_100011935260_100000210063 [0,0,0,1,0,0|3,0,0]=4 2253 B16R2.2256 c1ncc(cn1)CCOC2CCCCC2 34a_100011709255_100000210327 [0,0,0,1,0,0|3,0,0]=4 2254 B16R2.2832 CC1CCC(C1)NCCc2ccccc2 270004a_100000106460_100011215218 [0,0,0,1,0,0|2,0,0]=3 2255 B16R2.2832 CC1CCC(C1)NCCc2ccccn2 270004a_100000211156_100011215218 [0,0,0,1,0,0|3,0,0]=4 2256 B16R2.2832 CC1CCC(C1)NCCc2cccnc2 270004a_100000736294_100011215218 [0,0,0,1,0,0|3,0,0]=4 2257 B16R2.2832 CC1CCC(C1)NCCc2ccncc2 270004a_100000742849_100011215218 [0,0,0,1,0,0|3,0,0]=4 2258 B16R2.2832 CC1CCC(C1)OCCc2ccccc2 34a_100000698185_100000765856 [0,0,0,1,0,0|1,0,0]=2 2259 B16R2.2832 CN1CCC(C1)OCCc2ccccc2 7a_100000210268_200012183744 [0,0,0,1,0,0|2,0,0]=3 2260 B16R2.2832 CN1CCC(C1)SCCc2ccccc2 62a_100000765856_200012183744 [0,0,0,1,0,0|2,1,0]=4 2261 B16R2.2832 C[C@@H]1CCN(C1)CCCc2ccccc2 2230a_100016987628_100000211621 [0,0,0,1,0,0|3,0,0]=4 2262 B16R2.2832 C[C@@H]1CCN(C1)CCCc2ccccc2 269982a_100016987628_100000211621 [0,0,0,1,0,0|3,0,0]=4 2263 B16R2.2832 C[C@@H]1CCN(C1)CCCc2ccccc2 34a_100016987628_100000211621 [0,0,0,1,0,0|3,0,0]=4 2264 B16R2.2832 O=C1CCC(C1)OCCc2ccccc2 34a_100012614533_100000765856 [0,0,0,1,0,0|2,0,1]=4 2265 B16R2.2832 OC1CCC(C1)NCCc2ccccc2 270004a_100000106460_100012614533 [0,0,0,1,0,0|3,0,0]=4 2266 B16R2.2832 O[C@@H]1CC[C@@H](C1)NCCc2ccccc2 2230a_100015195300_100000765856 [0,0,0,1,0,0|3,0,0]=4 2267 B16R2.2948 CC1CCC(N1CCc2ccccc2)C 2230a_100000687148_100000765856 [0,0,0,1,0,0|2,0,0]=3 2268 B16R2.2948 CC1CCC(N1CCc2ccccc2)C 269982a_100000687148_100000765856 [0,0,0,1,0,0|2,0,0]=3 2269 B16R2.2948 CC1CCC(N1CCc2ccccc2)C 34a_100000687148_100000765856 [0,0,0,1,0,0|2,0,0]=3 2270 B16R2.2948 CC1CCC(N1CCc2ccccn2)C 2230a_100000687148_100015183660 [0,0,0,1,0,0|3,0,0]=4 2271 B16R2.2948 CC1CCC(N1CCc2ccccn2)C 269982a_100000687148_100015183660 [0,0,0,1,0,0|3,0,0]=4 2272 B16R2.2948 CC1CCC(N1CCc2cccnc2)C 2230a_100000687148_200011713674 [0,0,0,1,0,0|3,0,0]=4 2273 B16R2.2948 CC1CCC(N1CCc2cccnc2)C 269982a_100000687148_200011713674 [0,0,0,1,0,0|3,0,0]=4 2274 B16R2.2948 CC1CCC(N1CCc2ccncc2)C 2230a_100000687148_100000723409 [0,0,0,1,0,0|3,0,0]=4 2275 B16R2.2948 CC1CCC(N1CCc2ccncc2)C 269982a_100000687148_100000723409 [0,0,0,1,0,0|3,0,0]=4 2276 B16R2.2948 CC1CCC(N1CSc2ccccc2)C 2230a_100000687148_100011218342 [0,0,0,1,0,0|3,0,0]=4 2277 B16R2.2948 CC1CCC(N1CSc2ccccc2)C 269982a_100000687148_100011218342 [0,0,0,1,0,0|3,0,0]=4 2278 B16R2.14780 CC1(CCCC1)OCCc2ccccc2 34a_100000751722_100000765856 [0,0,0,1,0,0|1,0,0]=2 2279 B16R2.14780 CC1(CCCC1)OCCc2ccccc2 7a_100000751722_100000765856 [0,0,0,1,0,0|1,0,0]=2 2280 B16R2.14780 CC1(CCCC1)OCCc2ccccn2 7a_100000751722_100015183660 [0,0,0,1,0,0|2,0,0]=3 2281 B16R2.14780 CC1(CCCC1)OCCc2cccnc2 7a_100000751722_200011713674 [0,0,0,1,0,0|2,0,0]=3 2282 B16R2.14780 CC1(CCCC1)OCCc2ccncc2 7a_100000751722_100000723409 [0,0,0,1,0,0|2,0,0]=3 2283 B16R2.14780 CC1(CCOC1)NCCc2ccccc2 2230a_100000693475_100000765856 [0,0,0,1,0,0|3,0,0]=4 2284 B16R2.14780 CC1(OCCO1)CCNc2ccccc2 34a_100000106764_100000758764 [0,0,0,1,0,0|3,0,0]=4 2285 B16R2.14780 CC1(OCCO1)CCOc2ccccc2 34a_100000210340_100000758764 [0,0,0,1,0,0|3,0,0]=4 2286 B16R2.14780 CC1(OCCO1)CCOc2ccccc2 7a_100000210340_100000758764 [0,0,0,1,0,0|3,0,0]=4 2287 B16R2.14780 CC1(OCCO1)CCSc2ccccc2 62a_100000719477_100000758764 [0,0,0,1,0,0|3,0,0]=4 2288 B16R2.14780 CC1(OCCO1)CCSc2ccccc2 62a_100000758764_100000041952 [0,0,0,1,0,0|3,0,0]=4 2289 B16R2.14780 CC1(OCCO1)CNCc2ccccc2 207a_100000691740_100015611070 [0,0,0,1,0,0|3,0,0]=4 2290 B16R2.14780 CC1(OCCO1)CNCc2ccccc2 2230a_100000691740_100015291786 [0,0,0,1,0,0|3,0,0]=4 2291 B16R2.14780 CC1(OCCO1)CNCc2ccccc2 270004a_100000691740_100015611070 [0,0,0,1,0,0|3,0,0]=4 2292 B16R2.14780 CC1(OCCO1)CSCc2ccccc2 62a_100000211182_100009818610 [0,0,0,1,0,0|3,0,0]=4 2293 B16R2.14780 CC1(OCCO1)CSCc2ccccc2 62a_100009818610_100015291786 [0,0,0,1,0,0|3,0,0]=4 2294 B16R2.14780 C[C@]1(CCCN1)COCc2ccccc2 34a_100016195882_100015291786 [0,0,0,1,0,0|3,0,0]=4 2295 B16R2.34773 C#CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000184674 [0,0,0,1,0,0|1,0,2]=4 2296 B16R2.34773 C#CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000038162 [0,0,0,1,0,0|1,0,2]=4 2297 B16R2.34773 C=CCOC1(CCCc2c1cccc2)C 34a_200011345745_100015514636 [0,0,0,1,0,0|1,0,2]=4 2298 B16R2.34773 C=CCOC1(CCCc2c1cccc2)C 7a_200011345745_100015514636 [0,0,0,1,0,0|1,0,2]=4 2299 B16R2.34773 CC1(CCCc2c1cccc2)OCC#N 7a_200011345745_100011215382 [0,0,0,1,0,0|2,0,1]=4 2300 B16R2.34773 CC1(CCCc2c1cccc2)OCC=O 34a_200011345745_200009817547 [0,0,0,1,0,0|2,0,1]=4 2301 B16R2.34773 CC1(CCCc2c1cccc2)OCC=O 7a_200011345745_200015260668 [0,0,0,1,0,0|2,0,1]=4 2302 B16R2.34773 CC1(CCCc2c1cccc2)OCCF 34a_200011345745_100011217306 [0,0,0,1,0,0|2,0,0]=3 2303 B16R2.34773 CC1(CCCc2c1cccc2)OCCF 7a_200011345745_100011217306 [0,0,0,1,0,0|2,0,0]=3 2304 B16R2.34773 CC1(CCCc2c1cccc2)OCCO 34a_200011345745_100000211926 [0,0,0,1,0,0|2,0,0]=3 2305 B16R2.34773 CC1(CCCc2c1cccc2)OCCO 7a_200011345745_100000211926 [0,0,0,1,0,0|2,0,0]=3 2306 B16R2.34773 CCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000210303 [0,0,0,1,0,0|1,0,0]=2 2307 B16R2.34773 CCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000210303 [0,0,0,1,0,0|1,0,0]=2 2308 B16R2.34773 CSCOC1(CCCc2c1cccc2)C 34a_200011345745_100011218213 [0,0,0,1,0,0|2,0,0]=3 2309 B16R2.146976 CC(CCCc1ccccc1)N2CCC2 269982a_100000754969_200010759516 [0,0,0,1,0,0|2,0,0]=3 2310 B16R2.146976 CC(NCCc1ccccc1)C2CCC2 2230a_100016994624_100000765856 [0,0,0,1,0,0|2,0,0]=3 2311 B16R2.146976 CC(NCCc1ccccc1)C2CCC2 269862a_100000106460_100000760154 [0,0,0,1,0,0|2,0,0]=3 2312 B16R2.146976 CC(NCCc1ccccc1)C2CCC2 34a_100016994624_100000765856 [0,0,0,1,0,0|2,0,0]=3 2313 B16R2.146976 CC(NCCc1ccccn1)C2CCC2 2230a_100016994624_100015183660 [0,0,0,1,0,0|3,0,0]=4 2314 B16R2.146976 CC(NCCc1ccccn1)C2CCC2 269862a_100000211156_100000760154 [0,0,0,1,0,0|3,0,0]=4 2315 B16R2.146976 CC(NCCc1cccnc1)C2CCC2 2230a_100016994624_200011713674 [0,0,0,1,0,0|3,0,0]=4 2316 B16R2.146976 CC(NCCc1cccnc1)C2CCC2 269862a_100000736294_100000760154 [0,0,0,1,0,0|3,0,0]=4 2317 B16R2.146976 CC(NCCc1ccncc1)C2CCC2 2230a_100016994624_100000723409 [0,0,0,1,0,0|3,0,0]=4 2318 B16R2.146976 CC(NCCc1ccncc1)C2CCC2 269862a_100000742849_100000760154 [0,0,0,1,0,0|3,0,0]=4 2319 B16R2.146976 CC(NCSc1ccccc1)C2CCC2 2230a_100016994624_100011218342 [0,0,0,1,0,0|3,0,0]=4 2320 B16R2.146976 CC(OCCc1ccccc1)C2CCC2 34a_100000766398_100000765856 [0,0,0,1,0,0|1,0,0]=2 2321 B16R2.146976 CC(OCCc1ccccc1)C2CCC2 7a_100000766398_100000765856 [0,0,0,1,0,0|1,0,0]=2 2322 B16R2.146976 CC(OCCc1ccccn1)C2CCC2 7a_100000766398_100015183660 [0,0,0,1,0,0|2,0,0]=3 2323 B16R2.146976 CC(OCCc1cccnc1)C2CCC2 7a_100000766398_200011713674 [0,0,0,1,0,0|2,0,0]=3 2324 B16R2.146976 CC(OCCc1ccncc1)C2CCC2 7a_100000766398_100000723409 [0,0,0,1,0,0|2,0,0]=3 2325 B16R2.146976 CN(CCCc1ccccc1)C2CCC2 2230a_100000758072_100000211621 [0,0,0,1,0,0|3,0,0]=4 2326 B16R2.146976 CN(CCCc1ccccc1)C2CCC2 269982a_100000693637_100000749161 [0,0,0,1,0,0|3,0,0]=4 2327 B16R2.146976 CN(CCCc1ccccc1)C2CCC2 269982a_100000758072_100000211621 [0,0,0,1,0,0|3,0,0]=4 2328 B16R2.146976 CN(CCCc1ccccc1)C2CCC2 270004a_100000693637_100000241760 [0,0,0,1,0,0|3,0,0]=4 2329 B16R2.146976 CN(CCCc1ccccc1)C2CCC2 34a_100000758072_100000211621 [0,0,0,1,0,0|3,0,0]=4 2330 B16R2.146980 CC(CC1CC1)NCCc2ccccc2 270004a_100000106460_200000686933 [0,0,0,1,0,0|2,0,0]=3 2331 B16R2.146980 CC(CC1CC1)NCCc2ccccn2 270004a_100000211156_200000686933 [0,0,0,1,0,0|3,0,0]=4 2332 B16R2.146980 CC(CC1CC1)NCCc2cccnc2 270004a_100000736294_200000686933 [0,0,0,1,0,0|3,0,0]=4 2333 B16R2.146980 CC(CC1CC1)NCCc2ccncc2 270004a_100000742849_200000686933 [0,0,0,1,0,0|3,0,0]=4 2334 B16R2.146980 CC(CCCc1ccccc1)NC2CC2 34a_100000212008_200010759516 [0,0,0,1,0,0|2,0,0]=3 2335 B16R2.146980 CC(CCCc1ccccc1)SC2CC2 62a_200010759516_100000211595 [0,0,0,1,0,0|1,1,0]=3 2336 B16R2.146980 CC(COCc1ccccc1)OC2CC2 34a_100000764311_100000211595 [0,0,0,1,0,0|2,0,0]=3 2337 B16R2.146980 CN(CCCc1ccccc1)CC2CC2 2230a_100000693637_100000742324 [0,0,0,1,0,0|3,0,0]=4 2338 B16R2.146980 CN(CCCc1ccccc1)CC2CC2 2230a_100000741881_100000211621 [0,0,0,1,0,0|3,0,0]=4 2339 B16R2.146980 CN(CCCc1ccccc1)CC2CC2 269982a_100000693637_100000756562 [0,0,0,1,0,0|3,0,0]=4 2340 B16R2.146980 CN(CCCc1ccccc1)CC2CC2 269982a_100000741881_100000211621 [0,0,0,1,0,0|3,0,0]=4 2341 B16R2.208265 C=CCCC(C)OC1Cc2c1cccc2 7a_100000765329_100009813401 [0,0,0,1,0,0|1,0,2]=4 2342 B16R2.208265 CC(CCCCl)OC1Cc2c1cccc2 7a_200000718107_100009813401 [0,0,0,1,0,0|2,0,0]=3 2343 B16R2.208265 CCC#CC(C)OC1Cc2c1cccc2 7a_100000033903_100009813401 [0,0,0,1,0,0|1,0,1]=3 2344 B16R2.208265 CCCCC(C)OC1Cc2c1cccc2 7a_100000687866_100009813401 [0,0,0,1,0,0|1,0,0]=2 2345 B16R2.208265 CCCCC(C)SC1Cc2c1cccc2 62a_100009813401_200011215066 [0,0,0,1,0,0|1,1,0]=3 2346 B16R2.208265 CCCCC(C)SC1Cc2c1cccc2 62a_200011215066_100009813401 [0,0,0,1,0,0|1,1,0]=3 2347 B16R2.208265 CCOCC(C)OC1Cc2c1cccc2 7a_100000718985_100009813401 [0,0,0,1,0,0|2,0,0]=3 2348 B14R1.156 C#CCNC(C)CCc1ccccc1 2230a_100000210798_100000038162 [0,0,0,0,1,0|1,0,2]=4 2349 B14R1.156 C#CCNC(C)CCc1ccccc1 34a_100000210798_100000184674 [0,0,0,0,1,0|1,0,2]=4 2350 B14R1.156 C#CCOC(C)COc1ccccc1 34a_100000210911_100000184674 [0,0,0,0,1,0|1,0,2]=4 2351 B14R1.156 C#CCOC(C)COc1ccccc1 7a_100000210911_100000038162 [0,0,0,0,1,0|1,0,2]=4 2352 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000184674 [0,0,0,0,1,0|0,0,2]=3 2353 B14R1.156 C#CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000038162 [0,0,0,0,1,0|0,0,2]=3 2354 B14R1.156 C=CCCC(C)OCc1ccccc1 34a_100000765329_100015291786 [0,0,0,0,1,0|1,0,2]=4 2355 B14R1.156 C=CCCC(C)OCc1ccccc1 7a_100000765329_100000211182 [0,0,0,0,1,0|1,0,2]=4 2356 B14R1.156 C=CCNC(C)CCc1ccccc1 2230a_100000210798_100000210623 [0,0,0,0,1,0|1,0,2]=4 2357 B14R1.156 C=CCNC(C)CCc1ccccc1 270004a_100020586998_100000210092 [0,0,0,0,1,0|1,0,2]=4 2358 B14R1.156 C=CCNC(C)CCc1ccccc1 34a_100000210798_100015514636 [0,0,0,0,1,0|1,0,2]=4 2359 B14R1.156 C=CCOC(C)COc1ccccc1 34a_100000210911_100015514636 [0,0,0,0,1,0|1,0,2]=4 2360 B14R1.156 C=CCOC(C)COc1ccccc1 7a_100000210911_100015514636 [0,0,0,0,1,0|1,0,2]=4 2361 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100015514636 [0,0,0,0,1,0|0,0,2]=3 2362 B14R1.156 C=CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100015514636 [0,0,0,0,1,0|0,0,2]=3 2363 B14R1.156 CC(C#Cc1ccccc1)OCCF 34a_200000065209_100011217306 [0,0,0,0,1,0|1,0,2]=4 2364 B14R1.156 CC(C#Cc1ccccc1)OCCF 7a_200000065209_100011217306 [0,0,0,0,1,0|1,0,2]=4 2365 B14R1.156 CC(C#Cc1ccccc1)OCCO 34a_200000065209_100000211926 [0,0,0,0,1,0|1,0,2]=4 2366 B14R1.156 CC(C#Cc1ccccc1)OCCO 7a_200000065209_100000211926 [0,0,0,0,1,0|1,0,2]=4 2367 B14R1.156 CC(CCCCl)OCc1ccccc1 34a_200000718107_100015291786 [0,0,0,0,1,0|2,0,0]=3 2368 B14R1.156 CC(CCCCl)OCc1ccccc1 7a_200000718107_100000211182 [0,0,0,0,1,0|2,0,0]=3 2369 B14R1.156 CC(CCCCl)OCc1ccccn1 34a_200000718107_100000721315 [0,0,0,0,1,0|3,0,0]=4 2370 B14R1.156 CC(CCCCl)OCc1ccccn1 7a_200000718107_100000721315 [0,0,0,0,1,0|3,0,0]=4 2371 B14R1.156 CC(CCCCl)OCc1cccnc1 34a_200000718107_100000733263 [0,0,0,0,1,0|3,0,0]=4 2372 B14R1.156 CC(CCCCl)OCc1cccnc1 7a_200000718107_100000741622 [0,0,0,0,1,0|3,0,0]=4 2373 B14R1.156 CC(CCCCl)OCc1ccncc1 7a_200000718107_100015193705 [0,0,0,0,1,0|3,0,0]=4 2374 B14R1.156 CC(CCc1ccccc1)NCC#N 2230a_100000210798_100011215382 [0,0,0,0,1,0|2,0,1]=4 2375 B14R1.156 CC(CCc1ccccc1)NCC=O 2230a_100000210798_200015260668 [0,0,0,0,1,0|2,0,1]=4 2376 B14R1.156 CC(CCc1ccccc1)NCC=O 34a_100000210798_200009817547 [0,0,0,0,1,0|2,0,1]=4 2377 B14R1.156 CC(CCc1ccccc1)NCCF 2230a_100000210798_100011217306 [0,0,0,0,1,0|2,0,0]=3 2378 B14R1.156 CC(CCc1ccccc1)NCCF 34a_100000210798_100011217306 [0,0,0,0,1,0|2,0,0]=3 2379 B14R1.156 CC(CCc1ccccc1)NCCO 2230a_100000210798_100000211926 [0,0,0,0,1,0|2,0,0]=3 2380 B14R1.156 CC(CCc1ccccc1)NCCO 270004a_100000210304_100000210092 [0,0,0,0,1,0|2,0,0]=3 2381 B14R1.156 CC(CCc1ccccc1)NCCO 34a_100000210798_100000211926 [0,0,0,0,1,0|2,0,0]=3 2382 B14R1.156 CC(COc1ccccc1)NCCF 2230a_100000746794_100011217306 [0,0,0,0,1,0|3,0,0]=4 2383 B14R1.156 CC(COc1ccccc1)NCCF 34a_100000746794_100011217306 [0,0,0,0,1,0|3,0,0]=4 2384 B14R1.156 CC(COc1ccccc1)NCCO 2230a_100000746794_100000211926 [0,0,0,0,1,0|3,0,0]=4 2385 B14R1.156 CC(COc1ccccc1)NCCO 270004a_100000210304_100000150576 [0,0,0,0,1,0|3,0,0]=4 2386 B14R1.156 CC(COc1ccccc1)NCCO 34a_100000746794_100000211926 [0,0,0,0,1,0|3,0,0]=4 2387 B14R1.156 CC(COc1ccccc1)OCC#N 7a_100000210911_100011215382 [0,0,0,0,1,0|2,0,1]=4 2388 B14R1.156 CC(COc1ccccc1)OCC=O 34a_100000210911_200009817547 [0,0,0,0,1,0|2,0,1]=4 2389 B14R1.156 CC(COc1ccccc1)OCC=O 7a_100000210911_200015260668 [0,0,0,0,1,0|2,0,1]=4 2390 B14R1.156 CC(COc1ccccc1)OCCF 34a_100000210911_100011217306 [0,0,0,0,1,0|2,0,0]=3 2391 B14R1.156 CC(COc1ccccc1)OCCF 7a_100000210911_100011217306 [0,0,0,0,1,0|2,0,0]=3 2392 B14R1.156 CC(COc1ccccc1)OCCO 34a_100000210911_100000211926 [0,0,0,0,1,0|2,0,0]=3 2393 B14R1.156 CC(COc1ccccc1)OCCO 7a_100000210911_100000211926 [0,0,0,0,1,0|2,0,0]=3 2394 B14R1.156 CC(CSc1ccccc1)NCCO 270004a_100000210304_100000150717 [0,0,0,0,1,0|3,0,0]=4 2395 B14R1.156 CCC#CC(C)OCc1ccccc1 34a_100000033903_100015291786 [0,0,0,0,1,0|1,0,1]=3 2396 B14R1.156 CCC#CC(C)OCc1ccccc1 7a_100000033903_100000211182 [0,0,0,0,1,0|1,0,1]=3 2397 B14R1.156 CCC#CC(C)OCc1ccccn1 34a_100000033903_100000721315 [0,0,0,0,1,0|2,0,1]=4 2398 B14R1.156 CCC#CC(C)OCc1ccccn1 7a_100000033903_100000721315 [0,0,0,0,1,0|2,0,1]=4 2399 B14R1.156 CCC#CC(C)OCc1cccnc1 34a_100000033903_100000733263 [0,0,0,0,1,0|2,0,1]=4 2400 B14R1.156 CCC#CC(C)OCc1cccnc1 7a_100000033903_100000741622 [0,0,0,0,1,0|2,0,1]=4 2401 B14R1.156 CCC#CC(C)OCc1ccncc1 7a_100000033903_100015193705 [0,0,0,0,1,0|2,0,1]=4 2402 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210211 [0,0,0,0,1,0|2,0,1]=4 2403 B14R1.156 CCCCC(=O)CCc1ccccc1 1458a_100000210183_100000765856 [0,0,0,0,1,0|2,0,1]=4 2404 B14R1.156 CCCCC(C)NCc1ccccc1 207a_100000126638_100015611070 [0,0,0,0,1,0|2,0,0]=3 2405 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100000126638_100015291786 [0,0,0,0,1,0|2,0,0]=3 2406 B14R1.156 CCCCC(C)NCc1ccccc1 2230a_100015324214_200011215066 [0,0,0,0,1,0|2,0,0]=3 2407 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100000126638_100015611070 [0,0,0,0,1,0|2,0,0]=3 2408 B14R1.156 CCCCC(C)NCc1ccccc1 270004a_100015324214_100000210087 [0,0,0,0,1,0|2,0,0]=3 2409 B14R1.156 CCCCC(C)NCc1ccccc1 34a_100015324214_200011215066 [0,0,0,0,1,0|2,0,0]=3 2410 B14R1.156 CCCCC(C)NCc1ccccn1 207a_100000126638_100000209966 [0,0,0,0,1,0|3,0,0]=4 2411 B14R1.156 CCCCC(C)NCc1ccccn1 2230a_100000126638_100000721315 [0,0,0,0,1,0|3,0,0]=4 2412 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000126638_100000209966 [0,0,0,0,1,0|3,0,0]=4 2413 B14R1.156 CCCCC(C)NCc1ccccn1 270004a_100000210449_100000210087 [0,0,0,0,1,0|3,0,0]=4 2414 B14R1.156 CCCCC(C)NCc1cccnc1 207a_100000126638_100000209961 [0,0,0,0,1,0|3,0,0]=4 2415 B14R1.156 CCCCC(C)NCc1cccnc1 2230a_100000126638_100000741622 [0,0,0,0,1,0|3,0,0]=4 2416 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000126638_100000209961 [0,0,0,0,1,0|3,0,0]=4 2417 B14R1.156 CCCCC(C)NCc1cccnc1 270004a_100000210453_100000210087 [0,0,0,0,1,0|3,0,0]=4 2418 B14R1.156 CCCCC(C)NCc1ccncc1 207a_100000126638_100000186114 [0,0,0,0,1,0|3,0,0]=4 2419 B14R1.156 CCCCC(C)NCc1ccncc1 2230a_100000126638_100015193705 [0,0,0,0,1,0|3,0,0]=4 2420 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000210790_200011215066 [0,0,0,0,1,0|1,0,0]=2 2421 B14R1.156 CCCCC(C)OCc1ccccc1 34a_100000687866_100015291786 [0,0,0,0,1,0|1,0,0]=2 2422 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000210790_200011215066 [0,0,0,0,1,0|1,0,0]=2 2423 B14R1.156 CCCCC(C)OCc1ccccc1 7a_100000687866_100000211182 [0,0,0,0,1,0|1,0,0]=2 2424 B14R1.156 CCCCC(C)OCc1ccccn1 34a_100000687866_100000721315 [0,0,0,0,1,0|2,0,0]=3 2425 B14R1.156 CCCCC(C)OCc1ccccn1 7a_100000687866_100000721315 [0,0,0,0,1,0|2,0,0]=3 2426 B14R1.156 CCCCC(C)OCc1cccnc1 34a_100000687866_100000733263 [0,0,0,0,1,0|2,0,0]=3 2427 B14R1.156 CCCCC(C)OCc1cccnc1 7a_100000687866_100000741622 [0,0,0,0,1,0|2,0,0]=3 2428 B14R1.156 CCCCC(C)OCc1cccnn1 34a_100000687866_100016990269 [0,0,0,0,1,0|3,0,0]=4 2429 B14R1.156 CCCCC(C)OCc1cccnn1 7a_100000687866_100016990269 [0,0,0,0,1,0|3,0,0]=4 2430 B14R1.156 CCCCC(C)OCc1ccncc1 7a_100000687866_100015193705 [0,0,0,0,1,0|2,0,0]=3 2431 B14R1.156 CCCCC(C)OCc1cnccn1 34a_100000687866_100016995436 [0,0,0,0,1,0|3,0,0]=4 2432 B14R1.156 CCCCC(C)OCc1cnccn1 7a_100000687866_100016995436 [0,0,0,0,1,0|3,0,0]=4 2433 B14R1.156 CCCCC(C)OCc1cncnc1 34a_100000687866_100015196519 [0,0,0,0,1,0|3,0,0]=4 2434 B14R1.156 CCCCC(C)OCc1cncnc1 7a_100000687866_100015196519 [0,0,0,0,1,0|3,0,0]=4 2435 B14R1.156 CCCCC(C)OCc1ncccn1 34a_100000687866_100000703007 [0,0,0,0,1,0|3,0,0]=4 2436 B14R1.156 CCCCC(C)OCc1ncccn1 7a_100000687866_100000703007 [0,0,0,0,1,0|3,0,0]=4 2437 B14R1.156 CCCCC(C)SCc1ccccc1 62a_100000211182_200011215066 [0,0,0,0,1,0|1,1,0]=3 2438 B14R1.156 CCCCC(C)SCc1ccccc1 62a_200011215066_100015291786 [0,0,0,0,1,0|1,1,0]=3 2439 B14R1.156 CCCCC(C)SCc1ccccn1 62a_100000721315_200011215066 [0,0,0,0,1,0|2,1,0]=4 2440 B14R1.156 CCCCC(C)SCc1ccccn1 62a_200011215066_100000721315 [0,0,0,0,1,0|2,1,0]=4 2441 B14R1.156 CCCCC(C)SCc1cccnc1 62a_100000741622_200011215066 [0,0,0,0,1,0|2,1,0]=4 2442 B14R1.156 CCCCC(C)SCc1cccnc1 62a_200011215066_100000741622 [0,0,0,0,1,0|2,1,0]=4 2443 B14R1.156 CCCCC(C)SCc1ccncc1 62a_100015193705_200011215066 [0,0,0,0,1,0|2,1,0]=4 2444 B14R1.156 CCCCC(C)SCc1ccncc1 62a_200011215066_100015193705 [0,0,0,0,1,0|2,1,0]=4 2445 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207497_100000210211 [0,0,0,0,1,0|2,0,0]=3 2446 B14R1.156 CCCCN(C)CCc1ccccc1 2230a_100000207549_100000765856 [0,0,0,0,1,0|2,0,0]=3 2447 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207497_100000210211 [0,0,0,0,1,0|2,0,0]=3 2448 B14R1.156 CCCCN(C)CCc1ccccc1 269982a_100000207549_100000765856 [0,0,0,0,1,0|2,0,0]=3 2449 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000207549_100015183660 [0,0,0,0,1,0|3,0,0]=4 2450 B14R1.156 CCCCN(C)CCc1ccccn1 2230a_100000737206_100000210211 [0,0,0,0,1,0|3,0,0]=4 2451 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000207549_100015183660 [0,0,0,0,1,0|3,0,0]=4 2452 B14R1.156 CCCCN(C)CCc1ccccn1 269982a_100000737206_100000210211 [0,0,0,0,1,0|3,0,0]=4 2453 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000207549_200011713674 [0,0,0,0,1,0|3,0,0]=4 2454 B14R1.156 CCCCN(C)CCc1cccnc1 2230a_100000763209_100000210211 [0,0,0,0,1,0|3,0,0]=4 2455 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000207549_200011713674 [0,0,0,0,1,0|3,0,0]=4 2456 B14R1.156 CCCCN(C)CCc1cccnc1 269982a_100000763209_100000210211 [0,0,0,0,1,0|3,0,0]=4 2457 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000207549_100000723409 [0,0,0,0,1,0|3,0,0]=4 2458 B14R1.156 CCCCN(C)CCc1ccncc1 2230a_100000742850_100000210211 [0,0,0,0,1,0|3,0,0]=4 2459 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000207549_100000723409 [0,0,0,0,1,0|3,0,0]=4 2460 B14R1.156 CCCCN(C)CCc1ccncc1 269982a_100000742850_100000210211 [0,0,0,0,1,0|3,0,0]=4 2461 B14R1.156 CCCCN(C)CSc1ccccc1 2230a_100000207549_100011218342 [0,0,0,0,1,0|3,0,0]=4 2462 B14R1.156 CCCCN(C)CSc1ccccc1 269982a_100000207549_100011218342 [0,0,0,0,1,0|3,0,0]=4 2463 B14R1.156 CCCNC(=O)CCc1ccccc1 11a_100020643023_100000185753 [0,0,0,0,1,0|2,0,1]=4 2464 B14R1.156 CCCNC(=O)CCc1ccccc1 1626a_100020643023_100000185753 [0,0,0,0,1,0|2,0,1]=4 2465 B14R1.156 CCCNC(=O)CCc1ccccc1 240690a_100020643023_100000185753 [0,0,0,0,1,0|2,0,1]=4 2466 B14R1.156 CCCNC(=O)CCc1ccccc1 527a_100020643023_100000185753 [0,0,0,0,1,0|2,0,1]=4 2467 B14R1.156 CCCNC(C)CCc1ccccc1 2230a_100000210798_100000210303 [0,0,0,0,1,0|1,0,0]=2 2468 B14R1.156 CCCNC(C)CCc1ccccc1 270004a_100020643023_100000210092 [0,0,0,0,1,0|1,0,0]=2 2469 B14R1.156 CCCNC(C)CCc1ccccc1 34a_100000210798_100000210303 [0,0,0,0,1,0|1,0,0]=2 2470 B14R1.156 CCCNC(C)COc1ccccc1 2230a_100000746794_100000210303 [0,0,0,0,1,0|2,0,0]=3 2471 B14R1.156 CCCNC(C)COc1ccccc1 270004a_100020643023_100000150576 [0,0,0,0,1,0|2,0,0]=3 2472 B14R1.156 CCCNC(C)COc1ccccc1 34a_100000746794_100000210303 [0,0,0,0,1,0|2,0,0]=3 2473 B14R1.156 CCCNC(C)CSc1ccccc1 270004a_100020643023_100000150717 [0,0,0,0,1,0|2,0,0]=3 2474 B14R1.156 CCCOC(=O)CNc1ccccc1 34a_100000106764_200011215008 [0,0,0,0,1,0|2,0,1]=4 2475 B14R1.156 CCCOC(=O)COc1ccccc1 34a_100000210340_200011215008 [0,0,0,0,1,0|2,0,1]=4 2476 B14R1.156 CCCOC(=O)COc1ccccc1 7a_100000210340_200011215008 [0,0,0,0,1,0|2,0,1]=4 2477 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_100000719477_200011215008 [0,0,0,0,1,0|2,0,1]=4 2478 B14R1.156 CCCOC(=O)CSc1ccccc1 62a_200011215008_100000041952 [0,0,0,0,1,0|2,0,1]=4 2479 B14R1.156 CCCOC(C)C#Cc1ccccc1 34a_200000065209_100000210303 [0,0,0,0,1,0|0,0,2]=3 2480 B14R1.156 CCCOC(C)C#Cc1ccccc1 7a_200000065209_100000210303 [0,0,0,0,1,0|0,0,2]=3 2481 B14R1.156 CCCOC(C)CNc1cccnn1 27a_100015185124_100016991348 [0,0,0,0,1,0|3,0,0]=4 2482 B14R1.156 CCCOC(C)CNc1ccncn1 27a_100015185124_100000703185 [0,0,0,0,1,0|3,0,0]=4 2483 B14R1.156 CCCOC(C)CNc1cnccn1 27a_100015185124_100000211759 [0,0,0,0,1,0|3,0,0]=4 2484 B14R1.156 CCCOC(C)CNc1ncccn1 27a_100015185124_100000211032 [0,0,0,0,1,0|3,0,0]=4 2485 B14R1.156 CCCOC(C)COc1ccccc1 34a_100000210911_100000210303 [0,0,0,0,1,0|1,0,0]=2 2486 B14R1.156 CCCOC(C)COc1ccccc1 7a_100000210911_100000210303 [0,0,0,0,1,0|1,0,0]=2 2487 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210303 [0,0,0,0,1,0|0,0,0]=1 2488 B14R1.156 CCCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210303 [0,0,0,0,1,0|0,0,0]=1 2489 B14R1.156 CCNN=C(C)CCc1ccccc1 4a_100000756455_100000210092 [0,0,0,0,1,0|2,0,1]=4 2490 B14R1.156 CCOCC(C)OCc1ccccc1 34a_100000718985_100015291786 [0,0,0,0,1,0|2,0,0]=3 2491 B14R1.156 CCOCC(C)OCc1ccccc1 7a_100000718985_100000211182 [0,0,0,0,1,0|2,0,0]=3 2492 B14R1.156 CCOCC(C)OCc1ccccn1 34a_100000718985_100000721315 [0,0,0,0,1,0|3,0,0]=4 2493 B14R1.156 CCOCC(C)OCc1ccccn1 7a_100000718985_100000721315 [0,0,0,0,1,0|3,0,0]=4 2494 B14R1.156 CCOCC(C)OCc1cccnc1 34a_100000718985_100000733263 [0,0,0,0,1,0|3,0,0]=4 2495 B14R1.156 CCOCC(C)OCc1cccnc1 7a_100000718985_100000741622 [0,0,0,0,1,0|3,0,0]=4 2496 B14R1.156 CCOCC(C)OCc1ccncc1 7a_100000718985_100015193705 [0,0,0,0,1,0|3,0,0]=4 2497 B14R1.156 CCOCN(C)CCc1ccccc1 269982a_100000207497_100000739092 [0,0,0,0,1,0|3,0,0]=4 2498 B14R1.156 CCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210202 [0,0,0,0,1,0|3,0,0]=4 2499 B14R1.156 CCSCC(C)NCc1ccccc1 270004a_100015324214_200011216171 [0,0,0,0,1,0|3,0,0]=4 2500 B14R1.156 CN(CCCF)CCc1ccccc1 2230a_100000207497_100011934791 [0,0,0,0,1,0|3,0,0]=4 2501 B14R1.156 CN(CCCF)CCc1ccccc1 269982a_100000207497_100011934791 [0,0,0,0,1,0|3,0,0]=4 2502 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000207497_100000230001 [0,0,0,0,1,0|3,0,0]=4 2503 B14R1.156 CN(CCCO)CCc1ccccc1 2230a_100000213112_100000765856 [0,0,0,0,1,0|3,0,0]=4 2504 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000207497_100011215043 [0,0,0,0,1,0|3,0,0]=4 2505 B14R1.156 CN(CCCO)CCc1ccccc1 269982a_100000213112_100000765856 [0,0,0,0,1,0|3,0,0]=4 2506 B14R1.156 CNCCC(C)CCc1ccccc1 269862a_106832991636_200000075208 [0,0,0,0,1,0|2,0,0]=3 2507 B14R1.156 COCCC(C)NCc1ccccc1 270004a_100015324214_100000742357 [0,0,0,0,1,0|3,0,0]=4 2508 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000200122_200000210301 [0,0,0,0,1,0|3,0,0]=4 2509 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000207497_100011201679 [0,0,0,0,1,0|3,0,0]=4 2510 B14R1.156 COCCN(C)CCc1ccccc1 2230a_100000743101_100000765856 [0,0,0,0,1,0|3,0,0]=4 2511 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000200122_200000210301 [0,0,0,0,1,0|3,0,0]=4 2512 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000207497_100000233755 [0,0,0,0,1,0|3,0,0]=4 2513 B14R1.156 COCCN(C)CCc1ccccc1 269982a_100000743101_100000765856 [0,0,0,0,1,0|3,0,0]=4 2514 B14R1.156 COCCN(C)CCc1ccccc1 34a_100000200122_200000210301 [0,0,0,0,1,0|3,0,0]=4 2515 B14R1.156 COCCN([13CH3])CCc1ccccc1 2230a_100000200122_200025704644 [0,0,0,0,1,0|3,0,0]=4 2516 B14R1.156 COCCN([13CH3])CCc1ccccc1 269982a_100000200122_200025704644 [0,0,0,0,1,0|3,0,0]=4 2517 B14R1.156 COCCN([13CH3])CCc1ccccc1 34a_100000200122_200025704644 [0,0,0,0,1,0|3,0,0]=4 2518 B14R1.156 COCNC(C)CCc1ccccc1 2230a_100000210798_100000766300 [0,0,0,0,1,0|2,0,0]=3 2519 B14R1.156 COCNC(C)COc1ccccc1 2230a_100000746794_100000766300 [0,0,0,0,1,0|3,0,0]=4 2520 B14R1.156 CSCCC(C)NCc1ccccc1 270004a_100015324214_100011217047 [0,0,0,0,1,0|3,0,0]=4 2521 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000207497_100000751147 [0,0,0,0,1,0|3,0,0]=4 2522 B14R1.156 CSCCN(C)CCc1ccccc1 2230a_100000686725_100000765856 [0,0,0,0,1,0|3,0,0]=4 2523 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000207497_100000212216 [0,0,0,0,1,0|3,0,0]=4 2524 B14R1.156 CSCCN(C)CCc1ccccc1 269982a_100000686725_100000765856 [0,0,0,0,1,0|3,0,0]=4 2525 B14R1.156 CSCNC(C)CCc1ccccc1 2230a_100000210798_100011218213 [0,0,0,0,1,0|2,0,0]=3 2526 B14R1.156 CSCNC(C)CCc1ccccc1 34a_100000210798_100011218213 [0,0,0,0,1,0|2,0,0]=3 2527 B14R1.156 CSCNC(C)COc1ccccc1 2230a_100000746794_100011218213 [0,0,0,0,1,0|3,0,0]=4 2528 B14R1.156 CSCNC(C)COc1ccccc1 34a_100000746794_100011218213 [0,0,0,0,1,0|3,0,0]=4 2529 B14R1.156 CSCOC(C)C#Cc1ccccc1 34a_200000065209_100011218213 [0,0,0,0,1,0|1,0,2]=4 2530 B14R1.156 CSCOC(C)COc1ccccc1 34a_100000210911_100011218213 [0,0,0,0,1,0|2,0,0]=3 2531 B14R1.156 CSCO[C@@H](C)CCc1ccccc1 34a_100009815974_100011218213 [0,0,0,0,1,0|1,0,0]=2 2532 B14R1.156 C[C@@H](CCc1ccccc1)OCC#N 7a_100009815974_100011215382 [0,0,0,0,1,0|1,0,1]=3 2533 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 34a_100009815974_200009817547 [0,0,0,0,1,0|1,0,1]=3 2534 B14R1.156 C[C@@H](CCc1ccccc1)OCC=O 7a_100009815974_200015260668 [0,0,0,0,1,0|1,0,1]=3 2535 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 34a_100009815974_100011217306 [0,0,0,0,1,0|1,0,0]=2 2536 B14R1.156 C[C@@H](CCc1ccccc1)OCCF 7a_100009815974_100011217306 [0,0,0,0,1,0|1,0,0]=2 2537 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 34a_100009815974_100000211926 [0,0,0,0,1,0|1,0,0]=2 2538 B14R1.156 C[C@@H](CCc1ccccc1)OCCO 7a_100009815974_100000211926 [0,0,0,0,1,0|1,0,0]=2 2539 B14R1.177 CC(CCCCl)OCCc1cccs1 34a_200000718107_100000748579 [0,0,0,0,1,0|3,0,0]=4 2540 B14R1.177 CC(CCCCl)OCCc1cccs1 7a_200000718107_100000748579 [0,0,0,0,1,0|3,0,0]=4 2541 B14R1.177 CC(CCCCl)OCCn1cccc1 7a_200000718107_200000035178 [0,0,0,0,1,0|3,0,0]=4 2542 B14R1.177 CCC#CC(C)OCCc1cccs1 34a_100000033903_100000748579 [0,0,0,0,1,0|2,0,1]=4 2543 B14R1.177 CCC#CC(C)OCCc1cccs1 7a_100000033903_100000748579 [0,0,0,0,1,0|2,0,1]=4 2544 B14R1.177 CCC#CC(C)OCCn1cccc1 7a_100000033903_200000035178 [0,0,0,0,1,0|2,0,1]=4 2545 B14R1.177 CCCCC(C)NCCc1ccco1 2230a_100000694680_200011215066 [0,0,0,0,1,0|3,0,0]=4 2546 B14R1.177 CCCCC(C)NCCc1ccco1 270004a_100000694680_100000210087 [0,0,0,0,1,0|3,0,0]=4 2547 B14R1.177 CCCCC(C)NCCc1ccco1 34a_100000694680_200011215066 [0,0,0,0,1,0|3,0,0]=4 2548 B14R1.177 CCCCC(C)NCCc1cccs1 2230a_100000126638_100000748579 [0,0,0,0,1,0|3,0,0]=4 2549 B14R1.177 CCCCC(C)NCCc1cccs1 2230a_100000203755_200011215066 [0,0,0,0,1,0|3,0,0]=4 2550 B14R1.177 CCCCC(C)NCCc1cccs1 270004a_100000203755_100000210087 [0,0,0,0,1,0|3,0,0]=4 2551 B14R1.177 CCCCC(C)NCCc1cccs1 34a_100000203755_200011215066 [0,0,0,0,1,0|3,0,0]=4 2552 B14R1.177 CCCCC(C)NCCc1ccsc1 2230a_100000692642_200011215066 [0,0,0,0,1,0|3,0,0]=4 2553 B14R1.177 CCCCC(C)NCCc1ccsc1 270004a_100000692642_100000210087 [0,0,0,0,1,0|3,0,0]=4 2554 B14R1.177 CCCCC(C)NCCc1ccsc1 34a_100000692642_200011215066 [0,0,0,0,1,0|3,0,0]=4 2555 B14R1.177 CCCCC(C)NCCn1cccc1 2230a_100000126638_200009811947 [0,0,0,0,1,0|3,0,0]=4 2556 B14R1.177 CCCCC(C)NCCn1cccc1 270004a_100011368172_100000210087 [0,0,0,0,1,0|3,0,0]=4 2557 B14R1.177 CCCCC(C)NCCn1cccc1 34a_100011368172_200011215066 [0,0,0,0,1,0|3,0,0]=4 2558 B14R1.177 CCCCC(C)OCC[n+]1ccsc1 34a_200000100414_200011215066 [0,0,0,0,1,0|3,0,0]=4 2559 B14R1.177 CCCCC(C)OCCc1c[nH]cn1 7a_100000687866_100020628418 [0,0,0,0,1,0|3,0,0]=4 2560 B14R1.177 CCCCC(C)OCCc1cccs1 34a_100000687866_100000748579 [0,0,0,0,1,0|2,0,0]=3 2561 B14R1.177 CCCCC(C)OCCc1cccs1 34a_100011216825_200011215066 [0,0,0,0,1,0|2,0,0]=3 2562 B14R1.177 CCCCC(C)OCCc1cccs1 7a_100000687866_100000748579 [0,0,0,0,1,0|2,0,0]=3 2563 B14R1.177 CCCCC(C)OCCc1cccs1 7a_100011216825_200011215066 [0,0,0,0,1,0|2,0,0]=3 2564 B14R1.177 CCCCC(C)OCCc1ccsc1 34a_100000748821_200011215066 [0,0,0,0,1,0|2,0,0]=3 2565 B14R1.177 CCCCC(C)OCCc1cn[nH]c1 34a_100000766553_200011215066 [0,0,0,0,1,0|3,0,0]=4 2566 B14R1.177 CCCCC(C)OCCc1cn[nH]c1 7a_100000687866_100000743252 [0,0,0,0,1,0|3,0,0]=4 2567 B14R1.177 CCCCC(C)OCCc1cnoc1 34a_100000732699_200011215066 [0,0,0,0,1,0|3,0,0]=4 2568 B14R1.177 CCCCC(C)OCCc1ncc[nH]1 34a_103549771195_200011215066 [0,0,0,0,1,0|3,0,0]=4 2569 B14R1.177 CCCCC(C)OCCn1cccc1 34a_100000179382_200011215066 [0,0,0,0,1,0|2,0,0]=3 2570 B14R1.177 CCCCC(C)OCCn1cccc1 7a_100000687866_200000035178 [0,0,0,0,1,0|2,0,0]=3 2571 B14R1.177 CCCCC(C)OCCn1cccn1 34a_100000687866_100015204718 [0,0,0,0,1,0|3,0,0]=4 2572 B14R1.177 CCCCC(C)OCCn1cccn1 34a_100000743371_200011215066 [0,0,0,0,1,0|3,0,0]=4 2573 B14R1.177 CCCCC(C)OCCn1cccn1 7a_100000687866_100000685285 [0,0,0,0,1,0|3,0,0]=4 2574 B14R1.177 CCCCC(C)OCCn1ccnc1 34a_100000719764_200011215066 [0,0,0,0,1,0|3,0,0]=4 2575 B14R1.177 CCCCC(C)OCCn1ccnc1 7a_100000687866_100000702546 [0,0,0,0,1,0|3,0,0]=4 2576 B14R1.177 CCCCC(C)SCCc1cccs1 62a_100000748579_200011215066 [0,0,0,0,1,0|2,1,0]=4 2577 B14R1.177 CCCCC(C)SCCc1cccs1 62a_200011215066_100000748579 [0,0,0,0,1,0|2,1,0]=4 2578 B14R1.177 CCCCC(C)SCCn1cccc1 62a_200009811947_200011215066 [0,0,0,0,1,0|2,1,0]=4 2579 B14R1.177 CCCCC(C)SCCn1cccc1 62a_200011215066_200000035178 [0,0,0,0,1,0|2,1,0]=4 2580 B14R1.177 CCCOC(C)CNCc1ccco1 207a_100015185124_100000186105 [0,0,0,0,1,0|3,0,0]=4 2581 B14R1.177 CCCOC(C)CNCc1ccco1 270004a_100015185124_100000186105 [0,0,0,0,1,0|3,0,0]=4 2582 B14R1.177 CCCOC(C)CNCc1cccs1 207a_100015185124_100000209959 [0,0,0,0,1,0|3,0,0]=4 2583 B14R1.177 CCCOC(C)CNCc1cccs1 270004a_100015185124_100000209959 [0,0,0,0,1,0|3,0,0]=4 2584 B14R1.177 CCCOC(C)CNCc1ccoc1 207a_100015185124_100011215517 [0,0,0,0,1,0|3,0,0]=4 2585 B14R1.177 CCCOC(C)CNCc1ccoc1 270004a_100015185124_100011215517 [0,0,0,0,1,0|3,0,0]=4 2586 B14R1.177 CCCOC(C)CNCc1ccsc1 207a_100015185124_100000188534 [0,0,0,0,1,0|3,0,0]=4 2587 B14R1.177 CCCOC(C)CNCc1ccsc1 2230a_100015185124_100011261437 [0,0,0,0,1,0|3,0,0]=4 2588 B14R1.177 CCCOC(C)CNCc1ccsc1 270004a_100015185124_100000188534 [0,0,0,0,1,0|3,0,0]=4 2589 B14R1.177 CCCOC(C)CNCc1ccsc1 34a_100015185124_100011261437 [0,0,0,0,1,0|3,0,0]=4 2590 B14R1.177 CCOCC(C)OCCc1cccs1 34a_100000718985_100000748579 [0,0,0,0,1,0|3,0,0]=4 2591 B14R1.177 CCOCC(C)OCCc1cccs1 7a_100000718985_100000748579 [0,0,0,0,1,0|3,0,0]=4 2592 B14R1.177 CCOCC(C)OCCn1cccc1 7a_100000718985_200000035178 [0,0,0,0,1,0|3,0,0]=4 2593 B16R1.1465 C#CCOC(C)COCCc1ccccc1 34a_200000093152_100000765856 [0,0,0,0,0,1|0,0,2]=3 2594 B16R1.1465 C#CCOC(C)COCCc1ccccc1 7a_200000093152_100000765856 [0,0,0,0,0,1|0,0,2]=3 2595 B16R1.1465 C#CCOC(C)COCCc1ccccn1 7a_200000093152_100015183660 [0,0,0,0,0,1|1,0,2]=4 2596 B16R1.1465 C#CCOC(C)COCCc1cccnc1 7a_200000093152_200011713674 [0,0,0,0,0,1|1,0,2]=4 2597 B16R1.1465 C#CCOC(C)COCCc1ccncc1 7a_200000093152_100000723409 [0,0,0,0,0,1|1,0,2]=4 2598 B16R1.1465 C=C(COCCc1ccccc1)OCOC 34a_100000210268_100000042856 [0,0,0,0,0,1|1,0,2]=4 2599 B16R1.1465 C=CCCC(C)OCCCc1ccccc1 34a_100000765329_100000211621 [0,0,0,0,0,1|1,0,2]=4 2600 B16R1.1465 C=CCCC(C)OCCCc1ccccc1 7a_100000765329_100000211621 [0,0,0,0,0,1|1,0,2]=4 2601 B16R1.1465 C=CCCC(C)OCCOc1ccccc1 34a_100000765329_100000184471 [0,0,0,0,0,1|1,0,2]=4 2602 B16R1.1465 C=CCCC(C)OCCOc1ccccc1 7a_100000765329_100000184471 [0,0,0,0,0,1|1,0,2]=4 2603 B16R1.1465 C=CCCC(C)OCCSc1ccccc1 34a_100000765329_100000246102 [0,0,0,0,0,1|1,0,2]=4 2604 B16R1.1465 C=CCCC(C)OCCSc1ccccc1 7a_100000765329_100000246102 [0,0,0,0,0,1|1,0,2]=4 2605 B16R1.1465 C=CCCC(C)OCOCc1ccccc1 34a_100000765329_100000763385 [0,0,0,0,0,1|1,0,2]=4 2606 B16R1.1465 C=CCCC(C)OCSCc1ccccc1 34a_100000765329_200011217039 [0,0,0,0,0,1|1,0,2]=4 2607 B16R1.1465 CC(CCCCc1ccccc1)NCCO 270004a_100000210304_200011485782 [0,0,0,0,0,1|3,0,0]=4 2608 B16R1.1465 CC(CCCCl)OC/C=C/c1ccccc1 34a_200000718107_100016265936 [0,0,0,0,0,1|2,0,1]=4 2609 B16R1.1465 CC(CCCCl)OC/C=C/c1ccccc1 7a_200000718107_100016265936 [0,0,0,0,0,1|2,0,1]=4 2610 B16R1.1465 CC(CCCCl)OCC#Cc1ccccc1 34a_200000718107_100011352542 [0,0,0,0,0,1|2,0,1]=4 2611 B16R1.1465 CC(CCCCl)OCC#Cc1ccccc1 7a_200000718107_100011352542 [0,0,0,0,0,1|2,0,1]=4 2612 B16R1.1465 CC(CCCCl)OCCCc1ccccc1 34a_200000718107_100000211621 [0,0,0,0,0,1|2,0,0]=3 2613 B16R1.1465 CC(CCCCl)OCCCc1ccccc1 7a_200000718107_100000211621 [0,0,0,0,0,1|2,0,0]=3 2614 B16R1.1465 CC(CCCCl)OCCOc1ccccc1 34a_200000718107_100000184471 [0,0,0,0,0,1|2,0,0]=3 2615 B16R1.1465 CC(CCCCl)OCCOc1ccccc1 7a_200000718107_100000184471 [0,0,0,0,0,1|2,0,0]=3 2616 B16R1.1465 CC(CCCCl)OCCSc1ccccc1 34a_200000718107_100000246102 [0,0,0,0,0,1|2,0,0]=3 2617 B16R1.1465 CC(CCCCl)OCCSc1ccccc1 7a_200000718107_100000246102 [0,0,0,0,0,1|2,0,0]=3 2618 B16R1.1465 CC(CCCCl)OCOCc1ccccc1 34a_200000718107_100000763385 [0,0,0,0,0,1|2,0,0]=3 2619 B16R1.1465 CC(CCCCl)OCSCc1ccccc1 34a_200000718107_200011217039 [0,0,0,0,0,1|2,0,0]=3 2620 B16R1.1465 CC(CCOCc1ccccc1)NCCO 270004a_100000210304_100011219826 [0,0,0,0,0,1|3,0,0]=4 2621 B16R1.1465 CCC#CC(C)OC/C=C/c1ccccc1 34a_100000033903_100016265936 [0,0,0,0,0,1|1,0,2]=4 2622 B16R1.1465 CCC#CC(C)OC/C=C/c1ccccc1 7a_100000033903_100016265936 [0,0,0,0,0,1|1,0,2]=4 2623 B16R1.1465 CCC#CC(C)OCC#Cc1ccccc1 34a_100000033903_100011352542 [0,0,0,0,0,1|1,0,2]=4 2624 B16R1.1465 CCC#CC(C)OCC#Cc1ccccc1 7a_100000033903_100011352542 [0,0,0,0,0,1|1,0,2]=4 2625 B16R1.1465 CCC#CC(C)OCCCc1ccccc1 34a_100000033903_100000211621 [0,0,0,0,0,1|1,0,1]=3 2626 B16R1.1465 CCC#CC(C)OCCCc1ccccc1 7a_100000033903_100000211621 [0,0,0,0,0,1|1,0,1]=3 2627 B16R1.1465 CCC#CC(C)OCCOc1ccccc1 34a_100000033903_100000184471 [0,0,0,0,0,1|1,0,1]=3 2628 B16R1.1465 CCC#CC(C)OCCOc1ccccc1 7a_100000033903_100000184471 [0,0,0,0,0,1|1,0,1]=3 2629 B16R1.1465 CCC#CC(C)OCCSc1ccccc1 34a_100000033903_100000246102 [0,0,0,0,0,1|1,0,1]=3 2630 B16R1.1465 CCC#CC(C)OCCSc1ccccc1 7a_100000033903_100000246102 [0,0,0,0,0,1|1,0,1]=3 2631 B16R1.1465 CCC#CC(C)OCOCc1ccccc1 34a_100000033903_100000763385 [0,0,0,0,0,1|1,0,1]=3 2632 B16R1.1465 CCC#CC(C)OCSCc1ccccc1 34a_100000033903_200011217039 [0,0,0,0,0,1|1,0,1]=3 2633 B16R1.1465 CCCCC(=NNCCc1ccccc1)C 4a_100000740470_100000210087 [0,0,0,0,0,1|2,0,1]=4 2634 B16R1.1465 CCCCC(C)COCCc1ccccc1 34a_100011995851_100000765856 [0,0,0,0,0,1|1,0,0]=2 2635 B16R1.1465 CCCCC(C)COCCc1ccccc1 7a_100011995851_100000765856 [0,0,0,0,0,1|1,0,0]=2 2636 B16R1.1465 CCCCC(C)COCCc1ccccn1 7a_100011995851_100015183660 [0,0,0,0,0,1|2,0,0]=3 2637 B16R1.1465 CCCCC(C)COCCc1cccnc1 7a_100011995851_200011713674 [0,0,0,0,0,1|2,0,0]=3 2638 B16R1.1465 CCCCC(C)COCCc1ccncc1 7a_100011995851_100000723409 [0,0,0,0,0,1|2,0,0]=3 2639 B16R1.1465 CCCCC(C)NC/C=C/c1ccccc1 2230a_100000126638_100016265936 [0,0,0,0,0,1|2,0,1]=4 2640 B16R1.1465 CCCCC(C)NC/C=C/c1ccccc1 2230a_100020603302_200011215066 [0,0,0,0,0,1|2,0,1]=4 2641 B16R1.1465 CCCCC(C)NC/C=C/c1ccccc1 270004a_100020603302_100000210087 [0,0,0,0,0,1|2,0,1]=4 2642 B16R1.1465 CCCCC(C)NC/C=C/c1ccccc1 34a_100020603302_200011215066 [0,0,0,0,0,1|2,0,1]=4 2643 B16R1.1465 CCCCC(C)NCC#Cc1ccccc1 2230a_100000126638_100011352542 [0,0,0,0,0,1|2,0,1]=4 2644 B16R1.1465 CCCCC(C)NCC#Cc1ccccc1 34a_100000735379_200011215066 [0,0,0,0,0,1|2,0,1]=4 2645 B16R1.1465 CCCCC(C)NCC=Cc1ccccc1 270004a_100000126638_100000210105 [0,0,0,0,0,1|2,0,1]=4 2646 B16R1.1465 CCCCC(C)NCCCc1ccccc1 2230a_100000126638_100000211621 [0,0,0,0,0,1|2,0,0]=3 2647 B16R1.1465 CCCCC(C)NCCCc1ccccc1 2230a_100000211184_200011215066 [0,0,0,0,0,1|2,0,0]=3 2648 B16R1.1465 CCCCC(C)NCCCc1ccccc1 270004a_100000211184_100000210087 [0,0,0,0,0,1|2,0,0]=3 2649 B16R1.1465 CCCCC(C)NCCCc1ccccc1 34a_100000211184_200011215066 [0,0,0,0,0,1|2,0,0]=3 2650 B16R1.1465 CCCCC(C)NCCCc1ccccn1 270004a_100000689020_100000210087 [0,0,0,0,0,1|3,0,0]=4 2651 B16R1.1465 CCCCC(C)NCCCc1cccnc1 2230a_100011532358_200011215066 [0,0,0,0,0,1|3,0,0]=4 2652 B16R1.1465 CCCCC(C)NCCCc1cccnc1 270004a_100011532358_100000210087 [0,0,0,0,0,1|3,0,0]=4 2653 B16R1.1465 CCCCC(C)NCCCc1cccnc1 34a_100011532358_200011215066 [0,0,0,0,0,1|3,0,0]=4 2654 B16R1.1465 CCCCC(C)NCCCc1ccncc1 2230a_100011275580_200011215066 [0,0,0,0,0,1|3,0,0]=4 2655 B16R1.1465 CCCCC(C)NCCCc1ccncc1 270004a_100011275580_100000210087 [0,0,0,0,0,1|3,0,0]=4 2656 B16R1.1465 CCCCC(C)NCCOc1ccccc1 2230a_100000126638_100000184471 [0,0,0,0,0,1|2,0,0]=3 2657 B16R1.1465 CCCCC(C)NCCOc1ccccc1 2230a_100000174943_200011215066 [0,0,0,0,0,1|2,0,0]=3 2658 B16R1.1465 CCCCC(C)NCCOc1ccccc1 270004a_100000126638_100000758736 [0,0,0,0,0,1|2,0,0]=3 2659 B16R1.1465 CCCCC(C)NCCOc1ccccc1 270004a_100000174943_100000210087 [0,0,0,0,0,1|2,0,0]=3 2660 B16R1.1465 CCCCC(C)NCCOc1ccccc1 34a_100000174943_200011215066 [0,0,0,0,0,1|2,0,0]=3 2661 B16R1.1465 CCCCC(C)NCCOc1ccccn1 2230a_106741647558_200011215066 [0,0,0,0,0,1|3,0,0]=4 2662 B16R1.1465 CCCCC(C)NCCOc1ccccn1 270004a_106741647558_100000210087 [0,0,0,0,0,1|3,0,0]=4 2663 B16R1.1465 CCCCC(C)NCCOc1cccnc1 2230a_100000754688_200011215066 [0,0,0,0,0,1|3,0,0]=4 2664 B16R1.1465 CCCCC(C)NCCOc1cccnc1 270004a_100000754688_100000210087 [0,0,0,0,0,1|3,0,0]=4 2665 B16R1.1465 CCCCC(C)NCCOc1ccncc1 270004a_100025717301_100000210087 [0,0,0,0,0,1|3,0,0]=4 2666 B16R1.1465 CCCCC(C)NCCSc1ccccc1 2230a_100000126638_100000246102 [0,0,0,0,0,1|2,0,0]=3 2667 B16R1.1465 CCCCC(C)NCCSc1ccccc1 2230a_100000189519_200011215066 [0,0,0,0,0,1|2,0,0]=3 2668 B16R1.1465 CCCCC(C)NCCSc1ccccc1 270004a_100000189519_100000210087 [0,0,0,0,0,1|2,0,0]=3 2669 B16R1.1465 CCCCC(C)NCOCc1ccccc1 2230a_100000126638_100000763385 [0,0,0,0,0,1|2,0,0]=3 2670 B16R1.1465 CCCCC(C)NCSCc1ccccc1 2230a_100000126638_200011217039 [0,0,0,0,0,1|2,0,0]=3 2671 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 34a_100000210256_200011215066 [0,0,0,0,0,1|1,0,1]=3 2672 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 34a_100000687866_100016265936 [0,0,0,0,0,1|1,0,1]=3 2673 B16R1.1465 CCCCC(C)OC/C=C/c1ccccc1 7a_100000687866_100016265936 [0,0,0,0,0,1|1,0,1]=3 2674 B16R1.1465 CCCCC(C)OC/C=C/c1cccnc1 34a_200102594124_200011215066 [0,0,0,0,0,1|2,0,1]=4 2675 B16R1.1465 CCCCC(C)OCC#Cc1ccccc1 34a_100000687866_100011352542 [0,0,0,0,0,1|1,0,1]=3 2676 B16R1.1465 CCCCC(C)OCC#Cc1ccccc1 34a_100011217464_200011215066 [0,0,0,0,0,1|1,0,1]=3 2677 B16R1.1465 CCCCC(C)OCC#Cc1ccccc1 7a_100000687866_100011352542 [0,0,0,0,0,1|1,0,1]=3 2678 B16R1.1465 CCCCC(C)OCC#Cc1ccccc1 7a_100011217464_200011215066 [0,0,0,0,0,1|1,0,1]=3 2679 B16R1.1465 CCCCC(C)OCC#Cc1ccccn1 34a_100011894333_200011215066 [0,0,0,0,0,1|2,0,1]=4 2680 B16R1.1465 CCCCC(C)OCC#Cc1cccnc1 34a_100011376247_200011215066 [0,0,0,0,0,1|2,0,1]=4 2681 B16R1.1465 CCCCC(C)OCC#Cc1ccncc1 34a_100011894393_200011215066 [0,0,0,0,0,1|2,0,1]=4 2682 B16R1.1465 CCCCC(C)OCCCC1=CCC=CC1 34a_100020667889_200011215066 [0,0,0,0,0,1|1,0,2]=4 2683 B16R1.1465 CCCCC(C)OCCCc1ccccc1 34a_100000210828_200011215066 [0,0,0,0,0,1|1,0,0]=2 2684 B16R1.1465 CCCCC(C)OCCCc1ccccc1 34a_100000687866_100000211621 [0,0,0,0,0,1|1,0,0]=2 2685 B16R1.1465 CCCCC(C)OCCCc1ccccc1 7a_100000210828_200011215066 [0,0,0,0,0,1|1,0,0]=2 2686 B16R1.1465 CCCCC(C)OCCCc1ccccc1 7a_100000687866_100000211621 [0,0,0,0,0,1|1,0,0]=2 2687 B16R1.1465 CCCCC(C)OCCCc1ccccn1 34a_100011215068_200011215066 [0,0,0,0,0,1|2,0,0]=3 2688 B16R1.1465 CCCCC(C)OCCCc1cccnc1 34a_100000211284_200011215066 [0,0,0,0,0,1|2,0,0]=3 2689 B16R1.1465 CCCCC(C)OCCCc1ccncc1 34a_100000210659_200011215066 [0,0,0,0,0,1|2,0,0]=3 2690 B16R1.1465 CCCCC(C)OCCNc1ccccc1 34a_100000211345_200011215066 [0,0,0,0,0,1|1,0,0]=2 2691 B16R1.1465 CCCCC(C)OCCNc1ccncc1 34a_200011243140_200011215066 [0,0,0,0,0,1|2,0,0]=3 2692 B16R1.1465 CCCCC(C)OCCOc1ccccc1 34a_100000210260_200011215066 [0,0,0,0,0,1|1,0,0]=2 2693 B16R1.1465 CCCCC(C)OCCOc1ccccc1 34a_100000687866_100000184471 [0,0,0,0,0,1|1,0,0]=2 2694 B16R1.1465 CCCCC(C)OCCOc1ccccc1 7a_100000210260_200011215066 [0,0,0,0,0,1|1,0,0]=2 2695 B16R1.1465 CCCCC(C)OCCOc1ccccc1 7a_100000687866_100000184471 [0,0,0,0,0,1|1,0,0]=2 2696 B16R1.1465 CCCCC(C)OCCSc1ccccc1 34a_100000687866_100000246102 [0,0,0,0,0,1|1,0,0]=2 2697 B16R1.1465 CCCCC(C)OCCSc1ccccc1 7a_100000230494_200011215066 [0,0,0,0,0,1|1,0,0]=2 2698 B16R1.1465 CCCCC(C)OCCSc1ccccc1 7a_100000687866_100000246102 [0,0,0,0,0,1|1,0,0]=2 2699 B16R1.1465 CCCCC(C)OCCSc1ccccn1 7a_100000156319_200011215066 [0,0,0,0,0,1|2,0,0]=3 2700 B16R1.1465 CCCCC(C)OCOCc1ccccc1 34a_100000687866_100000763385 [0,0,0,0,0,1|1,0,0]=2 2701 B16R1.1465 CCCCC(C)OCSCc1ccccc1 34a_100000687866_200011217039 [0,0,0,0,0,1|1,0,0]=2 2702 B16R1.1465 CCCCC(C)SCC#Cc1ccccc1 62a_200011215066_100011352542 [0,0,0,0,0,1|1,1,1]=4 2703 B16R1.1465 CCCCC(C)SCCCc1ccccc1 62a_100000211621_200011215066 [0,0,0,0,0,1|1,1,0]=3 2704 B16R1.1465 CCCCC(C)SCCCc1ccccc1 62a_200011215066_100000211621 [0,0,0,0,0,1|1,1,0]=3 2705 B16R1.1465 CCCCC(C)SCCOc1ccccc1 62a_100000184471_200011215066 [0,0,0,0,0,1|1,1,0]=3 2706 B16R1.1465 CCCCC(C)SCCOc1ccccc1 62a_200011215066_100000184471 [0,0,0,0,0,1|1,1,0]=3 2707 B16R1.1465 CCCCC(C)SCOCc1ccccc1 62a_100000763385_200011215066 [0,0,0,0,0,1|1,1,0]=3 2708 B16R1.1465 CCCCC(C)SCOCc1ccccc1 62a_200011215066_100000763385 [0,0,0,0,0,1|1,1,0]=3 2709 B16R1.1465 CCCCN(C)CCCCc1ccccc1 2230a_100000207549_100000701786 [0,0,0,0,0,1|3,0,0]=4 2710 B16R1.1465 CCCCN(C)CCCCc1ccccc1 2230a_100000741445_100000210211 [0,0,0,0,0,1|3,0,0]=4 2711 B16R1.1465 CCCCN(C)CCCCc1ccccc1 269982a_100000207549_100000701786 [0,0,0,0,0,1|3,0,0]=4 2712 B16R1.1465 CCCCN(C)CCCCc1ccccc1 269982a_100000741445_100000210211 [0,0,0,0,0,1|3,0,0]=4 2713 B16R1.1465 CCCCN(C)CCCCc1ccccc1 34a_100000741445_100000210210 [0,0,0,0,0,1|3,0,0]=4 2714 B16R1.1465 CCCCN(C)CCCOc1ccccc1 2230a_100000207549_100000199009 [0,0,0,0,0,1|3,0,0]=4 2715 B16R1.1465 CCCCN(C)CCCOc1ccccc1 2230a_100000225623_100000210211 [0,0,0,0,0,1|3,0,0]=4 2716 B16R1.1465 CCCCN(C)CCCOc1ccccc1 269982a_100000207549_100000199009 [0,0,0,0,0,1|3,0,0]=4 2717 B16R1.1465 CCCCN(C)CCCOc1ccccc1 269982a_100000225623_100000210211 [0,0,0,0,0,1|3,0,0]=4 2718 B16R1.1465 CCCCN(C)CCCSc1ccccc1 2230a_100000207549_200011203293 [0,0,0,0,0,1|3,0,0]=4 2719 B16R1.1465 CCCCN(C)CCCSc1ccccc1 2230a_100015183843_100000210211 [0,0,0,0,0,1|3,0,0]=4 2720 B16R1.1465 CCCCN(C)CCCSc1ccccc1 269982a_100000207549_200011203293 [0,0,0,0,0,1|3,0,0]=4 2721 B16R1.1465 CCCCN(C)CCCSc1ccccc1 269982a_100015183843_100000210211 [0,0,0,0,0,1|3,0,0]=4 2722 B16R1.1465 CCCCN(C)CCNCc1ccccc1 207a_200000754967_100015611070 [0,0,0,0,0,1|3,0,0]=4 2723 B16R1.1465 CCCCN(C)CCNCc1ccccc1 270004a_200000754967_100015611070 [0,0,0,0,0,1|3,0,0]=4 2724 B16R1.1465 CCCCN(C)CCOCc1ccccc1 2230a_100000207549_100000234347 [0,0,0,0,0,1|3,0,0]=4 2725 B16R1.1465 CCCCN(C)CCOCc1ccccc1 2230a_100000687121_100000210211 [0,0,0,0,0,1|3,0,0]=4 2726 B16R1.1465 CCCCN(C)CCOCc1ccccc1 269982a_100000207549_100000234347 [0,0,0,0,0,1|3,0,0]=4 2727 B16R1.1465 CCCCN(C)CCOCc1ccccc1 269982a_100000687121_100000210211 [0,0,0,0,0,1|3,0,0]=4 2728 B16R1.1465 CCCCN(C)CCSCc1ccccc1 2230a_100000207549_200011297719 [0,0,0,0,0,1|3,0,0]=4 2729 B16R1.1465 CCCCN(C)CCSCc1ccccc1 269982a_100000207549_200011297719 [0,0,0,0,0,1|3,0,0]=4 2730 B16R1.1465 CCCC[C@H](N)COCCc1ccccc1 34a_100011934283_100000765856 [0,0,0,0,0,1|2,0,0]=3 2731 B16R1.1465 CCCNC(=O)COCCc1ccccc1 34a_100000210268_100000183358 [0,0,0,0,0,1|2,0,1]=4 2732 B16R1.1465 CCCNC(=O)COCCc1ccccc1 7a_100000210268_100000183358 [0,0,0,0,0,1|2,0,1]=4 2733 B16R1.1465 CCCNC(C)CCCCc1ccccc1 270004a_100020643023_200011485782 [0,0,0,0,0,1|2,0,0]=3 2734 B16R1.1465 CCCNC(C)CCOCc1ccccc1 270004a_100020643023_100011219826 [0,0,0,0,0,1|2,0,0]=3 2735 B16R1.1465 CCCOC(=O)CNCCc1ccccc1 2230a_100000106460_200011215008 [0,0,0,0,0,1|2,0,1]=4 2736 B16R1.1465 CCCOC(=O)CNCCc1ccccc1 34a_100000106460_200011215008 [0,0,0,0,0,1|2,0,1]=4 2737 B16R1.1465 CCCOC(=O)COCCc1ccccc1 34a_100000210268_200011215008 [0,0,0,0,0,1|1,0,1]=3 2738 B16R1.1465 CCCOC(=O)COCCc1ccccc1 7a_100000210268_200011215008 [0,0,0,0,0,1|1,0,1]=3 2739 B16R1.1465 CCCOC(=O)COCCc1ccccn1 34a_100000210271_200011215008 [0,0,0,0,0,1|2,0,1]=4 2740 B16R1.1465 CCCOC(=O)COCCc1cccnc1 34a_100011217484_200011215008 [0,0,0,0,0,1|2,0,1]=4 2741 B16R1.1465 CCCOC(=O)COCCc1ccncc1 34a_100011216225_200011215008 [0,0,0,0,0,1|2,0,1]=4 2742 B16R1.1465 CCCOC(=O)CSCCc1ccccc1 62a_100000765856_200011215008 [0,0,0,0,0,1|1,1,1]=4 2743 B16R1.1465 CCCOC(=O)CSCCc1ccccc1 62a_200011215008_100011218657 [0,0,0,0,0,1|1,1,1]=4 2744 B16R1.1465 CCCOC(=O)OCNCc1ccccc1 34a_100015324214_200000139673 [0,0,0,0,0,1|1,0,1]=3 2745 B16R1.1465 CCCOC(=O)OCOCc1ccccc1 34a_100000210790_200000139673 [0,0,0,0,0,1|1,0,1]=3 2746 B16R1.1465 CCCOC(=O)OCOCc1ccccc1 7a_100000210790_200000139673 [0,0,0,0,0,1|1,0,1]=3 2747 B16R1.1465 CCCOC(=O)OCSCc1ccccc1 62a_100000211182_200000139673 [0,0,0,0,0,1|1,0,1]=3 2748 B16R1.1465 CCCOC(=O)OCSCc1ccccn1 62a_100000721315_200000139673 [0,0,0,0,0,1|2,0,1]=4 2749 B16R1.1465 CCCOC(=O)OCSCc1cccnc1 62a_100000741622_200000139673 [0,0,0,0,0,1|2,0,1]=4 2750 B16R1.1465 CCCOC(=O)OCSCc1ccncc1 62a_100015193705_200000139673 [0,0,0,0,0,1|2,0,1]=4 2751 B16R1.1465 CCCOC(C)CNCCc1ccccc1 2230a_100015185124_100000765856 [0,0,0,0,0,1|1,0,0]=2 2752 B16R1.1465 CCCOC(C)CNCCc1ccccc1 34a_100015185124_100000765856 [0,0,0,0,0,1|1,0,0]=2 2753 B16R1.1465 CCCOC(C)CNCCc1ccccn1 2230a_100015185124_100015183660 [0,0,0,0,0,1|2,0,0]=3 2754 B16R1.1465 CCCOC(C)CNCCc1cccnc1 2230a_100015185124_200011713674 [0,0,0,0,0,1|2,0,0]=3 2755 B16R1.1465 CCCOC(C)CNCCc1ccncc1 2230a_100015185124_100000723409 [0,0,0,0,0,1|2,0,0]=3 2756 B16R1.1465 CCCOC(C)CNCSc1ccccc1 2230a_100015185124_100011218342 [0,0,0,0,0,1|2,0,0]=3 2757 B16R1.1465 CCOCC(C)OC/C=C/c1ccccc1 34a_100000718985_100016265936 [0,0,0,0,0,1|2,0,1]=4 2758 B16R1.1465 CCOCC(C)OC/C=C/c1ccccc1 7a_100000718985_100016265936 [0,0,0,0,0,1|2,0,1]=4 2759 B16R1.1465 CCOCC(C)OCC#Cc1ccccc1 34a_100000718985_100011352542 [0,0,0,0,0,1|2,0,1]=4 2760 B16R1.1465 CCOCC(C)OCC#Cc1ccccc1 7a_100000718985_100011352542 [0,0,0,0,0,1|2,0,1]=4 2761 B16R1.1465 CCOCC(C)OCCCc1ccccc1 34a_100000718985_100000211621 [0,0,0,0,0,1|2,0,0]=3 2762 B16R1.1465 CCOCC(C)OCCCc1ccccc1 7a_100000718985_100000211621 [0,0,0,0,0,1|2,0,0]=3 2763 B16R1.1465 CCOCC(C)OCCOc1ccccc1 34a_100000718985_100000184471 [0,0,0,0,0,1|2,0,0]=3 2764 B16R1.1465 CCOCC(C)OCCOc1ccccc1 7a_100000718985_100000184471 [0,0,0,0,0,1|2,0,0]=3 2765 B16R1.1465 CCOCC(C)OCCSc1ccccc1 34a_100000718985_100000246102 [0,0,0,0,0,1|2,0,0]=3 2766 B16R1.1465 CCOCC(C)OCCSc1ccccc1 7a_100000718985_100000246102 [0,0,0,0,0,1|2,0,0]=3 2767 B16R1.1465 CCOCC(C)OCOCc1ccccc1 34a_100000718985_100000763385 [0,0,0,0,0,1|2,0,0]=3 2768 B16R1.1465 CCOCC(C)OCSCc1ccccc1 34a_100000718985_200011217039 [0,0,0,0,0,1|2,0,0]=3 2769 B16R1.1465 CCSCC(C)NCCCc1ccccc1 270004a_100000211184_200011216171 [0,0,0,0,0,1|3,0,0]=4 2770 B16R1.1465 CCSCC(C)NCCOc1ccccc1 270004a_100000174943_200011216171 [0,0,0,0,0,1|3,0,0]=4 2771 B16R1.1465 CCSCC(C)NCCSc1ccccc1 270004a_100000189519_200011216171 [0,0,0,0,0,1|3,0,0]=4 2772 B16R1.1465 COCCC(C)NCCCc1ccccc1 270004a_100000211184_100000742357 [0,0,0,0,0,1|3,0,0]=4 2773 B16R1.1465 COCCC(C)NCCOc1ccccc1 270004a_100000174943_100000742357 [0,0,0,0,0,1|3,0,0]=4 2774 B16R1.1465 COCCC(C)NCCSc1ccccc1 270004a_100000189519_100000742357 [0,0,0,0,0,1|3,0,0]=4 2775 B16R1.1465 COCO[C@H](C)COCCc1ccccc1 34a_100016172286_100000765856 [0,0,0,0,0,1|1,0,0]=2 2776 B16R1.1465 COCO[C@H](C)COCCc1ccccc1 7a_100016172286_100000765856 [0,0,0,0,0,1|1,0,0]=2 2777 B16R1.1465 COCO[C@H](C)COCCc1ccccn1 7a_100016172286_100015183660 [0,0,0,0,0,1|2,0,0]=3 2778 B16R1.1465 COCO[C@H](C)COCCc1cccnc1 7a_100016172286_200011713674 [0,0,0,0,0,1|2,0,0]=3 2779 B16R1.1465 COCO[C@H](C)COCCc1ccncc1 7a_100016172286_100000723409 [0,0,0,0,0,1|2,0,0]=3 2780 B16R1.1465 CSCCC(C)NCCCc1ccccc1 270004a_100000211184_100011217047 [0,0,0,0,0,1|3,0,0]=4 2781 B16R1.1465 CSCCC(C)NCCOc1ccccc1 270004a_100000174943_100011217047 [0,0,0,0,0,1|3,0,0]=4 2782 B16R1.1465 CSCCC(C)NCCSc1ccccc1 270004a_100000189519_100011217047 [0,0,0,0,0,1|3,0,0]=4 2783 B16R1.1465 CSCC[C@H](N)COCCc1ccccc1 34a_100011827619_100000765856 [0,0,0,0,0,1|3,0,0]=4 2784 B16R1.1465 C[C@H](CCCO)CNCCc1ccccc1 2230a_100160569302_100000765856 [0,0,0,0,0,1|3,0,0]=4 2785 B16R1.1465 C[C@H](CCCO)CNCCc1ccccc1 34a_100160569302_100000765856 [0,0,0,0,0,1|3,0,0]=4 2786 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [2,0,0,0,0,0|2,0,0]=4 2787 B13R1.28 BrCCCOCCc1ccccc1 34a_100011217188_100000765856 [2,0,0,0,0,0|1,0,0]=3 2788 B13R1.28 BrCCOCCCc1ccccc1 34a_100000211926_100000211621 [2,0,0,0,0,0|1,0,0]=3 2789 B13R1.28 BrCCOCCOc1ccccc1 34a_100000211926_100000184471 [2,0,0,0,0,0|2,0,0]=4 2790 B13R1.28 BrCCOCCSc1ccccc1 34a_100000211926_100000246102 [2,0,0,0,0,0|2,0,0]=4 2791 B13R1.28 BrCCOCOCc1ccccc1 34a_100000211926_100000763385 [2,0,0,0,0,0|1,0,0]=3 2792 B13R1.28 BrCCOCSCc1ccccc1 34a_100000211926_200011217039 [2,0,0,0,0,0|1,1,0]=4 2793 B13R1.28 C#CCCOCCc1ccccc1 34a_100000210268_100000688953 [2,0,0,0,0,0|0,0,2]=4 2794 B13R1.28 C#CCCOCCc1ccccc1 34a_100011215631_100000765856 [2,0,0,0,0,0|0,0,2]=4 2795 B13R1.28 C#CCCOCCc1ccccc1 7a_100000210268_100000688953 [2,0,0,0,0,0|0,0,2]=4 2796 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210247_100000211621 [2,0,0,0,0,0|0,0,2]=4 2797 B13R1.28 C#CCOCCCc1ccccc1 34a_100000210828_100000184674 [2,0,0,0,0,0|0,0,2]=4 2798 B13R1.28 C#CCOCCCc1ccccc1 7a_100000210828_100000038162 [2,0,0,0,0,0|0,0,2]=4 2799 B13R1.28 C#CCOCOCc1ccccc1 34a_100000210247_100000763385 [2,0,0,0,0,0|0,0,2]=4 2800 B13R1.28 C/C=C/COCCc1ccccc1 34a_100000210268_100102629194 [2,0,0,0,0,0|0,0,2]=4 2801 B13R1.28 C/C=C/COCCc1ccccc1 34a_100016270725_100000765856 [2,0,0,0,0,0|0,0,2]=4 2802 B13R1.28 C/C=C/COCCc1ccccc1 7a_100000210268_100102629194 [2,0,0,0,0,0|0,0,2]=4 2803 B13R1.28 C=CCCOCCc1ccccc1 34a_100000210268_100000754431 [2,0,0,0,0,0|0,0,2]=4 2804 B13R1.28 C=CCCOCCc1ccccc1 34a_100011205117_100000765856 [2,0,0,0,0,0|0,0,2]=4 2805 B13R1.28 C=CCCOCCc1ccccc1 7a_100000210268_100000754431 [2,0,0,0,0,0|0,0,2]=4 2806 B13R1.28 C=CCOCCCc1ccccc1 34a_100000210828_100015514636 [2,0,0,0,0,0|0,0,2]=4 2807 B13R1.28 C=CCOCCCc1ccccc1 34a_200000210373_100000211621 [2,0,0,0,0,0|0,0,2]=4 2808 B13R1.28 C=CCOCCCc1ccccc1 7a_100000210828_100015514636 [2,0,0,0,0,0|0,0,2]=4 2809 B13R1.28 C=CCOCOCc1ccccc1 34a_200000210373_100000763385 [2,0,0,0,0,0|0,0,2]=4 2810 B13R1.28 CC#CCOCCc1ccccc1 34a_100000210268_100000748600 [2,0,0,0,0,0|0,0,2]=4 2811 B13R1.28 CC#CCOCCc1ccccc1 34a_100000761923_100000765856 [2,0,0,0,0,0|0,0,2]=4 2812 B13R1.28 CC#CCOCCc1ccccc1 7a_100000210268_100000748600 [2,0,0,0,0,0|0,0,2]=4 2813 B13R1.28 CC/C=C\COCc1ccccc1 34a_100000210790_100103147603 [2,0,0,0,0,0|1,0,1]=4 2814 B13R1.28 CC/C=C\COCc1ccccc1 34a_100016268518_100015291786 [2,0,0,0,0,0|1,0,1]=4 2815 B13R1.28 CC/C=C\COCc1ccccc1 7a_100000210790_100103147603 [2,0,0,0,0,0|1,0,1]=4 2816 B13R1.28 CC=CCOCCc1ccccc1 34a_100000210268_100000070051 [2,0,0,0,0,0|0,0,2]=4 2817 B13R1.28 CC=CCOCCc1ccccc1 7a_100000210268_100000070051 [2,0,0,0,0,0|0,0,2]=4 2818 B13R1.28 CCC#CCOCc1ccccc1 34a_100000032950_100015291786 [2,0,0,0,0,0|1,0,1]=4 2819 B13R1.28 CCC#CCOCc1ccccc1 34a_100000210790_100009813939 [2,0,0,0,0,0|1,0,1]=4 2820 B13R1.28 CCC#CCOCc1ccccc1 7a_100000210790_100009813939 [2,0,0,0,0,0|1,0,1]=4 2821 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [2,0,0,0,0,0|2,0,0]=4 2822 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [2,0,0,0,0,0|2,0,0]=4 2823 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [2,0,0,0,0,0|2,0,0]=4 2824 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [2,0,0,0,0,0|2,0,0]=4 2825 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [2,0,0,0,0,0|2,0,0]=4 2826 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [2,0,0,0,0,0|2,0,0]=4 2827 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [2,0,0,0,0,0|2,0,0]=4 2828 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [2,0,0,0,0,0|2,0,0]=4 2829 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [2,0,0,0,0,0|2,0,0]=4 2830 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [2,0,0,0,0,0|2,0,0]=4 2831 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [2,0,0,0,0,0|1,0,0]=3 2832 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [2,0,0,0,0,0|1,0,0]=3 2833 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [2,0,0,0,0,0|1,0,0]=3 2834 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [2,0,0,0,0,0|1,0,0]=3 2835 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [2,0,0,0,0,0|2,0,0]=4 2836 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [2,0,0,0,0,0|2,0,0]=4 2837 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [2,0,0,0,0,0|2,0,0]=4 2838 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [2,0,0,0,0,0|2,0,0]=4 2839 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [2,0,0,0,0,0|2,0,0]=4 2840 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [2,0,0,0,0,0|1,1,0]=4 2841 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [2,0,0,0,0,0|1,1,0]=4 2842 B13R1.28 CCCCNCCc1ccccc1 2230a_100000102301_100000765856 [2,0,0,0,0,0|1,0,0]=3 2843 B13R1.28 CCCCNCCc1ccccc1 2230a_100000106460_100000210211 [2,0,0,0,0,0|1,0,0]=3 2844 B13R1.28 CCCCNCCc1ccccc1 34a_100000106460_100000210210 [2,0,0,0,0,0|1,0,0]=3 2845 B13R1.28 CCCCNCCc1ccccc1 7a_106832991798_100000765856 [2,0,0,0,0,0|1,0,0]=3 2846 B13R1.28 CCCCNCCc1ccccn1 2230a_100000102301_100015183660 [2,0,0,0,0,0|2,0,0]=4 2847 B13R1.28 CCCCNCCc1ccccn1 7a_106832991798_100015183660 [2,0,0,0,0,0|2,0,0]=4 2848 B13R1.28 CCCCNCCc1cccnc1 2230a_100000102301_200011713674 [2,0,0,0,0,0|2,0,0]=4 2849 B13R1.28 CCCCNCCc1cccnc1 2230a_100000736294_100000210211 [2,0,0,0,0,0|2,0,0]=4 2850 B13R1.28 CCCCNCCc1cccnc1 7a_106832991798_200011713674 [2,0,0,0,0,0|2,0,0]=4 2851 B13R1.28 CCCCNCCc1ccncc1 2230a_100000102301_100000723409 [2,0,0,0,0,0|2,0,0]=4 2852 B13R1.28 CCCCNCCc1ccncc1 7a_106832991798_100000723409 [2,0,0,0,0,0|2,0,0]=4 2853 B13R1.28 CCCCNCSc1ccccc1 2230a_100000102301_100011218342 [2,0,0,0,0,0|2,0,0]=4 2854 B13R1.28 CCCCOCCc1ccccc1 34a_100000210227_100000765856 [2,0,0,0,0,0|0,0,0]=2 2855 B13R1.28 CCCCOCCc1ccccc1 34a_100000210268_100000210210 [2,0,0,0,0,0|0,0,0]=2 2856 B13R1.28 CCCCOCCc1ccccc1 7a_100000210227_100000765856 [2,0,0,0,0,0|0,0,0]=2 2857 B13R1.28 CCCCOCCc1ccccc1 7a_100000210268_100000210211 [2,0,0,0,0,0|0,0,0]=2 2858 B13R1.28 CCCCOCCc1ccccn1 34a_100000210271_100000210210 [2,0,0,0,0,0|1,0,0]=3 2859 B13R1.28 CCCCOCCc1ccccn1 7a_100000210227_100015183660 [2,0,0,0,0,0|1,0,0]=3 2860 B13R1.28 CCCCOCCc1cccnc1 34a_100011217484_100000210210 [2,0,0,0,0,0|1,0,0]=3 2861 B13R1.28 CCCCOCCc1cccnc1 7a_100000210227_200011713674 [2,0,0,0,0,0|1,0,0]=3 2862 B13R1.28 CCCCOCCc1ccncc1 34a_100011216225_100000210210 [2,0,0,0,0,0|1,0,0]=3 2863 B13R1.28 CCCCOCCc1ccncc1 7a_100000210227_100000723409 [2,0,0,0,0,0|1,0,0]=3 2864 B13R1.28 CCCCOCCc1cnccn1 34a_100011349526_100000210210 [2,0,0,0,0,0|2,0,0]=4 2865 B13R1.28 CCCCOCCc1cncnc1 34a_100011709255_100000210210 [2,0,0,0,0,0|2,0,0]=4 2866 B13R1.28 CCCCOCNc1ccccc1 34a_100000106764_100011995733 [2,0,0,0,0,0|1,0,0]=3 2867 B13R1.28 CCCCOCOc1ccccc1 34a_100000210340_100011995733 [2,0,0,0,0,0|1,0,0]=3 2868 B13R1.28 CCCCOCOc1cccnc1 34a_100000210849_100011995733 [2,0,0,0,0,0|2,0,0]=4 2869 B13R1.28 CCCCOCOc1ccncc1 34a_100000212176_100011995733 [2,0,0,0,0,0|2,0,0]=4 2870 B13R1.28 CCCCOCSc1ccccc1 62a_100000719477_100011995733 [2,0,0,0,0,0|1,0,0]=3 2871 B13R1.28 CCCCOCSc1ccccc1 62a_100011995733_100000041952 [2,0,0,0,0,0|1,0,0]=3 2872 B13R1.28 CCCCOCSc1ccccn1 62a_100011216584_100011995733 [2,0,0,0,0,0|2,0,0]=4 2873 B13R1.28 CCCCOCSc1ccccn1 62a_100011995733_100011216584 [2,0,0,0,0,0|2,0,0]=4 2874 B13R1.28 CCCCOCSc1cccnc1 62a_100000210063_100011995733 [2,0,0,0,0,0|2,0,0]=4 2875 B13R1.28 CCCCOCSc1cccnc1 62a_100011995733_100000210063 [2,0,0,0,0,0|2,0,0]=4 2876 B13R1.28 CCCCOCSc1ccncc1 62a_100000728582_100011995733 [2,0,0,0,0,0|2,0,0]=4 2877 B13R1.28 CCCCOCSc1ccncc1 62a_100011995733_100000728582 [2,0,0,0,0,0|2,0,0]=4 2878 B13R1.28 CCCCSCCc1ccccc1 62a_100000210211_100011218657 [2,0,0,0,0,0|0,1,0]=3 2879 B13R1.28 CCCCSCCc1ccccc1 62a_100000765856_100000210210 [2,0,0,0,0,0|0,1,0]=3 2880 B13R1.28 CCCCSCCc1ccccn1 62a_100000210211_100015183660 [2,0,0,0,0,0|1,1,0]=4 2881 B13R1.28 CCCCSCCc1ccccn1 62a_100015183660_100000210210 [2,0,0,0,0,0|1,1,0]=4 2882 B13R1.28 CCCCSCCc1cccnc1 62a_100000210211_200011713674 [2,0,0,0,0,0|1,1,0]=4 2883 B13R1.28 CCCCSCCc1cccnc1 62a_200011713674_100000210210 [2,0,0,0,0,0|1,1,0]=4 2884 B13R1.28 CCCCSCCc1ccncc1 62a_100000210211_100000723409 [2,0,0,0,0,0|1,1,0]=4 2885 B13R1.28 CCCCSCCc1ccncc1 62a_100000723409_100000210210 [2,0,0,0,0,0|1,1,0]=4 2886 B13R1.28 CCCCSCSc1ccccc1 62a_100000210211_100011218342 [2,0,0,0,0,0|1,1,0]=4 2887 B13R1.28 CCCCSCSc1ccccc1 62a_100011218342_100000210210 [2,0,0,0,0,0|1,1,0]=4 2888 B13R1.28 CCCNCCCc1ccccc1 2230a_100000211184_100000210303 [2,0,0,0,0,0|1,0,0]=3 2889 B13R1.28 CCCNCCCc1ccccc1 34a_100000211184_100000210303 [2,0,0,0,0,0|1,0,0]=3 2890 B13R1.28 CCCNCCCc1cccnc1 2230a_100011532358_100000210303 [2,0,0,0,0,0|2,0,0]=4 2891 B13R1.28 CCCNCCCc1cccnc1 34a_100011532358_100000210303 [2,0,0,0,0,0|2,0,0]=4 2892 B13R1.28 CCCNCCCc1ccncc1 2230a_100011275580_100000210303 [2,0,0,0,0,0|2,0,0]=4 2893 B13R1.28 CCCNCCOc1ccccc1 2230a_100000174943_100000210303 [2,0,0,0,0,0|2,0,0]=4 2894 B13R1.28 CCCNCCOc1ccccc1 270004a_100020643023_100000758736 [2,0,0,0,0,0|2,0,0]=4 2895 B13R1.28 CCCNCCOc1ccccc1 34a_100000174943_100000210303 [2,0,0,0,0,0|2,0,0]=4 2896 B13R1.28 CCCNCCSc1ccccc1 2230a_100000189519_100000210303 [2,0,0,0,0,0|2,0,0]=4 2897 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [2,0,0,0,0,0|0,0,2]=4 2898 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [2,0,0,0,0,0|0,0,2]=4 2899 B13R1.28 CCCOCC#Cc1ccccc1 34a_100000210258_100011352542 [2,0,0,0,0,0|0,0,2]=4 2900 B13R1.28 CCCOCC#Cc1ccccc1 34a_100011217464_100000210303 [2,0,0,0,0,0|0,0,2]=4 2901 B13R1.28 CCCOCC#Cc1ccccc1 7a_100011217464_100000210303 [2,0,0,0,0,0|0,0,2]=4 2902 B13R1.28 CCCOCCCC1=CCC=CC1 34a_100020667889_100000210303 [2,0,0,0,0,0|0,0,2]=4 2903 B13R1.28 CCCOCCCc1ccccc1 34a_100000210258_100000211621 [2,0,0,0,0,0|0,0,0]=2 2904 B13R1.28 CCCOCCCc1ccccc1 34a_100000210828_100000210303 [2,0,0,0,0,0|0,0,0]=2 2905 B13R1.28 CCCOCCCc1ccccc1 7a_100000210828_100000210303 [2,0,0,0,0,0|0,0,0]=2 2906 B13R1.28 CCCOCCCc1ccccn1 34a_100011215068_100000210303 [2,0,0,0,0,0|1,0,0]=3 2907 B13R1.28 CCCOCCCc1cccnc1 34a_100000211284_100000210303 [2,0,0,0,0,0|1,0,0]=3 2908 B13R1.28 CCCOCCCc1ccncc1 34a_100000210659_100000210303 [2,0,0,0,0,0|1,0,0]=3 2909 B13R1.28 CCCOCCNc1ccccc1 34a_100000106764_100011215938 [2,0,0,0,0,0|1,0,0]=3 2910 B13R1.28 CCCOCCNc1ccccc1 34a_100000211345_100000210303 [2,0,0,0,0,0|1,0,0]=3 2911 B13R1.28 CCCOCCNc1ccncc1 34a_200011243140_100000210303 [2,0,0,0,0,0|2,0,0]=4 2912 B13R1.28 CCCOCCOc1ccccc1 34a_100000210258_100000184471 [2,0,0,0,0,0|1,0,0]=3 2913 B13R1.28 CCCOCCOc1ccccc1 34a_100000210260_100000210303 [2,0,0,0,0,0|1,0,0]=3 2914 B13R1.28 CCCOCCOc1ccccc1 34a_100000210340_100011215938 [2,0,0,0,0,0|1,0,0]=3 2915 B13R1.28 CCCOCCOc1ccccc1 7a_100000210260_100000210303 [2,0,0,0,0,0|1,0,0]=3 2916 B13R1.28 CCCOCCOc1ccccc1 7a_100000210340_100011215938 [2,0,0,0,0,0|1,0,0]=3 2917 B13R1.28 CCCOCCOc1cccnc1 34a_100000210849_100011215938 [2,0,0,0,0,0|2,0,0]=4 2918 B13R1.28 CCCOCCOc1cccnc1 7a_100000210849_100011215938 [2,0,0,0,0,0|2,0,0]=4 2919 B13R1.28 CCCOCCOc1ccncc1 34a_100000212176_100011215938 [2,0,0,0,0,0|2,0,0]=4 2920 B13R1.28 CCCOCCSc1ccccc1 34a_100000210258_100000246102 [2,0,0,0,0,0|1,0,0]=3 2921 B13R1.28 CCCOCCSc1ccccc1 62a_100000719477_100011215938 [2,0,0,0,0,0|1,0,0]=3 2922 B13R1.28 CCCOCCSc1ccccc1 62a_100011215938_100000041952 [2,0,0,0,0,0|1,0,0]=3 2923 B13R1.28 CCCOCCSc1ccccc1 7a_100000230494_100000210303 [2,0,0,0,0,0|1,0,0]=3 2924 B13R1.28 CCCOCCSc1ccccn1 62a_100011215938_100011216584 [2,0,0,0,0,0|2,0,0]=4 2925 B13R1.28 CCCOCCSc1ccccn1 62a_100011216584_100011215938 [2,0,0,0,0,0|2,0,0]=4 2926 B13R1.28 CCCOCCSc1ccccn1 7a_100000156319_100000210303 [2,0,0,0,0,0|2,0,0]=4 2927 B13R1.28 CCCOCCSc1cccnc1 62a_100000210063_100011215938 [2,0,0,0,0,0|2,0,0]=4 2928 B13R1.28 CCCOCCSc1cccnc1 62a_100011215938_100000210063 [2,0,0,0,0,0|2,0,0]=4 2929 B13R1.28 CCCOCCSc1ccncc1 62a_100000728582_100011215938 [2,0,0,0,0,0|2,0,0]=4 2930 B13R1.28 CCCOCCSc1ccncc1 62a_100011215938_100000728582 [2,0,0,0,0,0|2,0,0]=4 2931 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [2,0,0,0,0,0|0,0,0]=2 2932 B13R1.28 CCCOCSCc1ccccc1 34a_100000210258_200011217039 [2,0,0,0,0,0|0,1,0]=3 2933 B13R1.28 CCCSCCCc1ccccc1 62a_100000210303_100000211621 [2,0,0,0,0,0|0,1,0]=3 2934 B13R1.28 CCCSCCCc1ccccc1 62a_100000211621_100000210303 [2,0,0,0,0,0|0,1,0]=3 2935 B13R1.28 CCCSCCOc1ccccc1 62a_100000184471_100000210303 [2,0,0,0,0,0|1,1,0]=4 2936 B13R1.28 CCCSCCOc1ccccc1 62a_100000210303_100000184471 [2,0,0,0,0,0|1,1,0]=4 2937 B13R1.28 CCCSCCSc1ccccc1 62a_100000210303_100000246102 [2,0,0,0,0,0|1,1,0]=4 2938 B13R1.28 CCCSCCSc1ccccc1 62a_100000246102_100000210303 [2,0,0,0,0,0|1,1,0]=4 2939 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [2,0,0,0,0,0|0,1,0]=3 2940 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [2,0,0,0,0,0|0,1,0]=3 2941 B13R1.28 CCCSCSCc1ccccc1 62a_100000210303_200011217039 [2,0,0,0,0,0|0,2,0]=4 2942 B13R1.28 CCCSCSCc1ccccc1 62a_200011217039_100000210303 [2,0,0,0,0,0|0,2,0]=4 2943 B13R1.28 CCNCCCCc1ccccc1 2230a_100015280158_100000210202 [2,0,0,0,0,0|2,0,0]=4 2944 B13R1.28 CCNCCCCc1ccccc1 2230a_100015525214_100000701786 [2,0,0,0,0,0|2,0,0]=4 2945 B13R1.28 CCNCCCCc1ccccc1 34a_100015280158_100000210202 [2,0,0,0,0,0|2,0,0]=4 2946 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [2,0,0,0,0,0|2,0,0]=4 2947 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [2,0,0,0,0,0|2,0,0]=4 2948 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [2,0,0,0,0,0|2,0,0]=4 2949 B13R1.28 CCOCCCCc1ccccc1 34a_100000703073_100000210202 [2,0,0,0,0,0|1,0,0]=3 2950 B13R1.28 CCOCCCCc1ccccc1 34a_100121572206_100000701786 [2,0,0,0,0,0|1,0,0]=3 2951 B13R1.28 CCOCCCCc1ccccc1 7a_100000703073_100000210202 [2,0,0,0,0,0|1,0,0]=3 2952 B13R1.28 CCOCCCCc1ccccn1 34a_100012186994_100000210202 [2,0,0,0,0,0|2,0,0]=4 2953 B13R1.28 CCOCCCCc1cccnc1 34a_100012039607_100000210202 [2,0,0,0,0,0|2,0,0]=4 2954 B13R1.28 CCOCCCCc1cccnc1 7a_100012039607_100000210202 [2,0,0,0,0,0|2,0,0]=4 2955 B13R1.28 CCOCCCCc1ccncc1 34a_100011787716_100000210202 [2,0,0,0,0,0|2,0,0]=4 2956 B13R1.28 CCOCCCNc1ccccc1 34a_100000106764_100012232248 [2,0,0,0,0,0|2,0,0]=4 2957 B13R1.28 CCOCCCNc1ccccc1 34a_100000212590_100000210202 [2,0,0,0,0,0|2,0,0]=4 2958 B13R1.28 CCOCCCOc1ccccc1 34a_100000210340_100012232248 [2,0,0,0,0,0|2,0,0]=4 2959 B13R1.28 CCOCCCOc1ccccc1 34a_100011215863_100000210202 [2,0,0,0,0,0|2,0,0]=4 2960 B13R1.28 CCOCCCOc1ccccc1 34a_100121572206_100000199009 [2,0,0,0,0,0|2,0,0]=4 2961 B13R1.28 CCOCCCOc1ccccc1 7a_100000210340_100012232248 [2,0,0,0,0,0|2,0,0]=4 2962 B13R1.28 CCOCCCOc1ccccc1 7a_100011215863_100000210202 [2,0,0,0,0,0|2,0,0]=4 2963 B13R1.28 CCOCCCSc1ccccc1 34a_100121572206_200011203293 [2,0,0,0,0,0|2,0,0]=4 2964 B13R1.28 CCOCCCSc1ccccc1 62a_100000719477_100012232248 [2,0,0,0,0,0|2,0,0]=4 2965 B13R1.28 CCOCCCSc1ccccc1 62a_100012232248_100000041952 [2,0,0,0,0,0|2,0,0]=4 2966 B13R1.28 CCOCCNCc1ccccc1 207a_100011200944_100015611070 [2,0,0,0,0,0|2,0,0]=4 2967 B13R1.28 CCOCCNCc1ccccc1 2230a_100015324214_100011215890 [2,0,0,0,0,0|2,0,0]=4 2968 B13R1.28 CCOCCNCc1ccccc1 2230a_102516460346_100015291786 [2,0,0,0,0,0|2,0,0]=4 2969 B13R1.28 CCOCCNCc1ccccc1 270004a_102516460346_100015611070 [2,0,0,0,0,0|2,0,0]=4 2970 B13R1.28 CCOCCNCc1ccccc1 34a_100000180844_100000210202 [2,0,0,0,0,0|2,0,0]=4 2971 B13R1.28 CCOCCNCc1ccccc1 34a_100015324214_100000210147 [2,0,0,0,0,0|2,0,0]=4 2972 B13R1.28 CCOCCNCc1ccccc1 34a_102516460346_100015291786 [2,0,0,0,0,0|2,0,0]=4 2973 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [2,0,0,0,0,0|2,0,0]=4 2974 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [2,0,0,0,0,0|2,0,0]=4 2975 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [2,0,0,0,0,0|2,0,0]=4 2976 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [2,0,0,0,0,0|2,0,0]=4 2977 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [2,0,0,0,0,0|2,0,0]=4 2978 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [2,0,0,0,0,0|2,0,0]=4 2979 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [2,0,0,0,0,0|2,0,0]=4 2980 B13R1.28 CCOCCSCc1ccccc1 34a_100011205989_100000210202 [2,0,0,0,0,0|2,0,0]=4 2981 B13R1.28 CCOCCSCc1ccccc1 34a_100121572206_200011297719 [2,0,0,0,0,0|2,0,0]=4 2982 B13R1.28 CCOCCSCc1ccccc1 62a_100000210147_100015291786 [2,0,0,0,0,0|2,0,0]=4 2983 B13R1.28 CCOCCSCc1ccccc1 62a_100000211182_100011215890 [2,0,0,0,0,0|2,0,0]=4 2984 B13R1.28 CCOCCSCc1ccccc1 7a_100011205989_100000210202 [2,0,0,0,0,0|2,0,0]=4 2985 B13R1.28 CCOCSCCc1ccccc1 62a_100000739092_100011218657 [2,0,0,0,0,0|0,1,0]=3 2986 B13R1.28 CCOCSCCc1ccccc1 62a_100000765856_100000739092 [2,0,0,0,0,0|0,1,0]=3 2987 B13R1.28 CCOCSCCc1ccccn1 62a_100000739092_100015183660 [2,0,0,0,0,0|1,1,0]=4 2988 B13R1.28 CCOCSCCc1ccccn1 62a_100015183660_100000739092 [2,0,0,0,0,0|1,1,0]=4 2989 B13R1.28 CCOCSCCc1cccnc1 62a_100000739092_200011713674 [2,0,0,0,0,0|1,1,0]=4 2990 B13R1.28 CCOCSCCc1cccnc1 62a_200011713674_100000739092 [2,0,0,0,0,0|1,1,0]=4 2991 B13R1.28 CCOCSCCc1ccncc1 62a_100000723409_100000739092 [2,0,0,0,0,0|1,1,0]=4 2992 B13R1.28 CCOCSCCc1ccncc1 62a_100000739092_100000723409 [2,0,0,0,0,0|1,1,0]=4 2993 B13R1.28 CCOCSCSc1ccccc1 62a_100000739092_100011218342 [2,0,0,0,0,0|1,1,0]=4 2994 B13R1.28 CCOCSCSc1ccccc1 62a_100011218342_100000739092 [2,0,0,0,0,0|1,1,0]=4 2995 B13R1.28 CCSCCCCc1ccccc1 62a_100000210202_100000701786 [2,0,0,0,0,0|1,1,0]=4 2996 B13R1.28 CCSCCCCc1ccccc1 62a_100000701786_100000210202 [2,0,0,0,0,0|1,1,0]=4 2997 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [2,0,0,0,0,0|2,0,0]=4 2998 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [2,0,0,0,0,0|2,0,0]=4 2999 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [2,0,0,0,0,0|2,0,0]=4 3000 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [2,0,0,0,0,0|2,0,0]=4 3001 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [2,0,0,0,0,0|2,0,0]=4 3002 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [2,0,0,0,0,0|2,0,0]=4 3003 B13R1.28 CNCCCCCc1ccccc1 2230a_100000750932_200000210301 [2,0,0,0,0,0|2,0,0]=4 3004 B13R1.28 CNCCCCCc1ccccc1 2230a_106832991635_200011217138 [2,0,0,0,0,0|2,0,0]=4 3005 B13R1.28 CNCCCCCc1ccccc1 34a_100000750932_200000210301 [2,0,0,0,0,0|2,0,0]=4 3006 B13R1.28 CNCCCCCc1ccccc1 34a_100102657272_200011217138 [2,0,0,0,0,0|2,0,0]=4 3007 B13R1.28 CNCCCCCc1ccccc1 7a_106832991635_200011217138 [2,0,0,0,0,0|2,0,0]=4 3008 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [2,0,0,0,0,0|2,0,0]=4 3009 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [2,0,0,0,0,0|2,0,0]=4 3010 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [2,0,0,0,0,0|2,0,0]=4 3011 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [2,0,0,0,0,0|2,0,0]=4 3012 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [2,0,0,0,0,0|2,0,0]=4 3013 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [2,0,0,0,0,0|2,0,0]=4 3014 B13R1.28 COCCCCCc1ccccc1 34a_100138415774_200011217138 [2,0,0,0,0,0|2,0,0]=4 3015 B13R1.28 COCCCCCc1ccccc1 34a_200011219639_200000210301 [2,0,0,0,0,0|2,0,0]=4 3016 B13R1.28 COCCCCCc1ccccc1 7a_200011219639_200000210301 [2,0,0,0,0,0|2,0,0]=4 3017 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [2,0,0,0,0,0|2,0,0]=4 3018 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [2,0,0,0,0,0|2,0,0]=4 3019 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [2,0,0,0,0,0|2,0,0]=4 3020 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [2,0,0,0,0,0|2,0,0]=4 3021 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [2,0,0,0,0,0|2,0,0]=4 3022 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [2,0,0,0,0,0|2,0,0]=4 3023 B13R1.28 COCCNCCc1ccccc1 2230a_100000106460_100011201679 [2,0,0,0,0,0|2,0,0]=4 3024 B13R1.28 COCCNCCc1ccccc1 2230a_100000209980_100000765856 [2,0,0,0,0,0|2,0,0]=4 3025 B13R1.28 COCCNCCc1ccccc1 34a_100000106460_100011201679 [2,0,0,0,0,0|2,0,0]=4 3026 B13R1.28 COCCOCCc1ccccc1 34a_100000210237_100000765856 [2,0,0,0,0,0|1,0,0]=3 3027 B13R1.28 COCCOCCc1ccccc1 34a_100000210268_100011201679 [2,0,0,0,0,0|1,0,0]=3 3028 B13R1.28 COCCOCCc1ccccc1 7a_100000210268_100000233755 [2,0,0,0,0,0|1,0,0]=3 3029 B13R1.28 COCCOCCc1ccccn1 34a_100000210271_100011201679 [2,0,0,0,0,0|2,0,0]=4 3030 B13R1.28 COCCOCCc1cccnc1 34a_100011217484_100011201679 [2,0,0,0,0,0|2,0,0]=4 3031 B13R1.28 COCCOCCc1ccncc1 34a_100011216225_100011201679 [2,0,0,0,0,0|2,0,0]=4 3032 B13R1.28 COCCOCSc1ccccc1 62a_100000231047_100000041952 [2,0,0,0,0,0|2,0,0]=4 3033 B13R1.28 COCCOCSc1ccccc1 62a_100000719477_100000231047 [2,0,0,0,0,0|2,0,0]=4 3034 B13R1.28 COCCSCCc1ccccc1 62a_100000233755_100011218657 [2,0,0,0,0,0|1,1,0]=4 3035 B13R1.28 COCCSCCc1ccccc1 62a_100000765856_100000233755 [2,0,0,0,0,0|1,1,0]=4 3036 B13R1.28 COCNCCCc1ccccc1 2230a_100000211184_100000766300 [2,0,0,0,0,0|2,0,0]=4 3037 B13R1.28 COCSCCCc1ccccc1 62a_100000211621_100000766300 [2,0,0,0,0,0|1,1,0]=4 3038 B13R1.28 COCSCCCc1ccccc1 62a_100000766300_100000211621 [2,0,0,0,0,0|1,1,0]=4 3039 B13R1.28 COCSCOCc1ccccc1 62a_100000763385_100000766300 [2,0,0,0,0,0|1,1,0]=4 3040 B13R1.28 COCSCOCc1ccccc1 62a_100000766300_100000763385 [2,0,0,0,0,0|1,1,0]=4 3041 B13R1.28 CSCCCCCc1ccccc1 62a_200000210301_200011217138 [2,0,0,0,0,0|2,0,0]=4 3042 B13R1.28 CSCCCCCc1ccccc1 62a_200011217138_200000210301 [2,0,0,0,0,0|2,0,0]=4 3043 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [2,0,0,0,0,0|2,0,0]=4 3044 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [2,0,0,0,0,0|2,0,0]=4 3045 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [2,0,0,0,0,0|2,0,0]=4 3046 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [2,0,0,0,0,0|2,0,0]=4 3047 B13R1.28 CSCCNCCc1ccccc1 2230a_100000106460_100000751147 [2,0,0,0,0,0|2,0,0]=4 3048 B13R1.28 CSCCNCCc1ccccc1 2230a_100020590264_100000765856 [2,0,0,0,0,0|2,0,0]=4 3049 B13R1.28 CSCCNCCc1ccccc1 34a_100000106460_100000212216 [2,0,0,0,0,0|2,0,0]=4 3050 B13R1.28 CSCCOCCc1ccccc1 34a_100000210268_100000212216 [2,0,0,0,0,0|1,0,0]=3 3051 B13R1.28 CSCCOCCc1ccccc1 34a_100000230434_100000765856 [2,0,0,0,0,0|1,0,0]=3 3052 B13R1.28 CSCCOCCc1ccccc1 7a_100000210268_100000212216 [2,0,0,0,0,0|1,0,0]=3 3053 B13R1.28 CSCCOCCc1ccccc1 7a_100000230434_100000765856 [2,0,0,0,0,0|1,0,0]=3 3054 B13R1.28 CSCCOCCc1ccccn1 34a_100000210271_100000212216 [2,0,0,0,0,0|2,0,0]=4 3055 B13R1.28 CSCCOCCc1ccccn1 7a_100000230434_100015183660 [2,0,0,0,0,0|2,0,0]=4 3056 B13R1.28 CSCCOCCc1cccnc1 34a_100011217484_100000212216 [2,0,0,0,0,0|2,0,0]=4 3057 B13R1.28 CSCCOCCc1cccnc1 7a_100000230434_200011713674 [2,0,0,0,0,0|2,0,0]=4 3058 B13R1.28 CSCCOCCc1ccncc1 34a_100011216225_100000212216 [2,0,0,0,0,0|2,0,0]=4 3059 B13R1.28 CSCCOCCc1ccncc1 7a_100000230434_100000723409 [2,0,0,0,0,0|2,0,0]=4 3060 B13R1.28 CSCCSCCc1ccccc1 62a_100000212216_100011218657 [2,0,0,0,0,0|1,1,0]=4 3061 B13R1.28 CSCCSCCc1ccccc1 62a_100000765856_100000751147 [2,0,0,0,0,0|1,1,0]=4 3062 B13R1.28 CSCNCCCc1ccccc1 2230a_100000211184_100011218213 [2,0,0,0,0,0|2,0,0]=4 3063 B13R1.28 CSCNCCCc1ccccc1 34a_100000211184_100011218213 [2,0,0,0,0,0|2,0,0]=4 3064 B13R1.28 CSCOCCCc1ccccc1 34a_100000210828_100011218213 [2,0,0,0,0,0|1,0,0]=3 3065 B13R1.28 CSCOCCCc1ccccn1 34a_100011215068_100011218213 [2,0,0,0,0,0|2,0,0]=4 3066 B13R1.28 CSCOCCCc1cccnc1 34a_100000211284_100011218213 [2,0,0,0,0,0|2,0,0]=4 3067 B13R1.28 CSCOCCCc1ccncc1 34a_100000210659_100011218213 [2,0,0,0,0,0|2,0,0]=4 3068 B13R1.28 CSCOCCNc1ccccc1 34a_100000211345_100011218213 [2,0,0,0,0,0|2,0,0]=4 3069 B13R1.28 CSCOCCOc1ccccc1 34a_100000210260_100011218213 [2,0,0,0,0,0|2,0,0]=4 3070 B13R1.28 CSCSCCCc1ccccc1 62a_100000211621_100011218213 [2,0,0,0,0,0|1,1,0]=4 3071 B13R1.28 CSCSCCCc1ccccc1 62a_100011218213_100000211621 [2,0,0,0,0,0|1,1,0]=4 3072 B13R1.28 CSCSCOCc1ccccc1 62a_100000763385_100011218213 [2,0,0,0,0,0|1,1,0]=4 3073 B13R1.28 CSCSCOCc1ccccc1 62a_100011218213_100000763385 [2,0,0,0,0,0|1,1,0]=4 3074 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [2,0,0,0,0,0|2,0,0]=4 3075 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [2,0,0,0,0,0|2,0,0]=4 3076 B13R1.28 ClCCCOCCc1ccccc1 34a_100000230001_100000765856 [2,0,0,0,0,0|1,0,0]=3 3077 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [2,0,0,0,0,0|2,0,0]=4 3078 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [2,0,0,0,0,0|2,0,0]=4 3079 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [2,0,0,0,0,0|2,0,0]=4 3080 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [2,0,0,0,0,0|2,0,0]=4 3081 B13R1.28 FCCCNCCc1ccccc1 2230a_100000106460_100011934791 [2,0,0,0,0,0|2,0,0]=4 3082 B13R1.28 FCCCNCCc1ccccc1 2230a_100015189416_100000765856 [2,0,0,0,0,0|2,0,0]=4 3083 B13R1.28 FCCCNCCc1ccccc1 34a_100000106460_100011934791 [2,0,0,0,0,0|2,0,0]=4 3084 B13R1.28 FCCCNCCc1ccccc1 34a_100015189416_100000765856 [2,0,0,0,0,0|2,0,0]=4 3085 B13R1.28 FCCCOCCc1ccccc1 34a_100000210268_100011934791 [2,0,0,0,0,0|1,0,0]=3 3086 B13R1.28 FCCCOCCc1ccccc1 34a_100000759539_100000765856 [2,0,0,0,0,0|1,0,0]=3 3087 B13R1.28 FCCCOCCc1ccccc1 7a_100000210268_100011934791 [2,0,0,0,0,0|1,0,0]=3 3088 B13R1.28 FCCCOCCc1ccccn1 34a_100000210271_100011934791 [2,0,0,0,0,0|2,0,0]=4 3089 B13R1.28 FCCCOCCc1cccnc1 34a_100011217484_100011934791 [2,0,0,0,0,0|2,0,0]=4 3090 B13R1.28 FCCCOCCc1ccncc1 34a_100011216225_100011934791 [2,0,0,0,0,0|2,0,0]=4 3091 B13R1.28 FCCCSCCc1ccccc1 62a_100000765856_100011934791 [2,0,0,0,0,0|1,1,0]=4 3092 B13R1.28 FCCCSCCc1ccccc1 62a_100011934791_100011218657 [2,0,0,0,0,0|1,1,0]=4 3093 B13R1.28 FCCNCCCc1ccccc1 2230a_100000211184_100011217306 [2,0,0,0,0,0|2,0,0]=4 3094 B13R1.28 FCCNCCCc1ccccc1 34a_100000211184_100011217306 [2,0,0,0,0,0|2,0,0]=4 3095 B13R1.28 FCCNCCCc1ccccc1 34a_100000724931_100000211621 [2,0,0,0,0,0|2,0,0]=4 3096 B13R1.28 FCCNCOCc1ccccc1 34a_100000724931_100000763385 [2,0,0,0,0,0|2,0,0]=4 3097 B13R1.28 FCCOCCCc1ccccc1 34a_100000210828_100011217306 [2,0,0,0,0,0|1,0,0]=3 3098 B13R1.28 FCCOCCCc1ccccc1 7a_100000210828_100011217306 [2,0,0,0,0,0|1,0,0]=3 3099 B13R1.28 FCCOCCCc1ccccn1 34a_100011215068_100011217306 [2,0,0,0,0,0|2,0,0]=4 3100 B13R1.28 FCCOCCCc1cccnc1 34a_100000211284_100011217306 [2,0,0,0,0,0|2,0,0]=4 3101 B13R1.28 FCCOCCCc1ccncc1 34a_100000210659_100011217306 [2,0,0,0,0,0|2,0,0]=4 3102 B13R1.28 FCCOCCNc1ccccc1 34a_100000211345_100011217306 [2,0,0,0,0,0|2,0,0]=4 3103 B13R1.28 FCCOCCOc1ccccc1 34a_100000210260_100011217306 [2,0,0,0,0,0|2,0,0]=4 3104 B13R1.28 FCCOCCOc1ccccc1 7a_100000210260_100011217306 [2,0,0,0,0,0|2,0,0]=4 3105 B13R1.28 FCCOCCSc1ccccc1 7a_100000230494_100011217306 [2,0,0,0,0,0|2,0,0]=4 3106 B13R1.28 FCCSCCCc1ccccc1 62a_100000211621_100011217306 [2,0,0,0,0,0|1,1,0]=4 3107 B13R1.28 FCCSCCCc1ccccc1 62a_100011217306_100000211621 [2,0,0,0,0,0|1,1,0]=4 3108 B13R1.28 FCCSCOCc1ccccc1 62a_100000763385_100011217306 [2,0,0,0,0,0|1,1,0]=4 3109 B13R1.28 FCCSCOCc1ccccc1 62a_100011217306_100000763385 [2,0,0,0,0,0|1,1,0]=4 3110 B13R1.28 FCOCCCCc1ccccc1 34a_100000703073_100015361967 [2,0,0,0,0,0|2,0,0]=4 3111 B13R1.28 FCOCCCCc1ccccc1 7a_100000703073_100015361967 [2,0,0,0,0,0|2,0,0]=4 3112 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [2,0,0,0,0,0|2,0,0]=4 3113 B13R1.28 N#CCCOCCc1ccccc1 7a_100000210268_100000184422 [2,0,0,0,0,0|1,0,1]=4 3114 B13R1.28 N#CCOCCCc1ccccc1 7a_100000210828_100011215382 [2,0,0,0,0,0|1,0,1]=4 3115 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [2,0,0,0,0,0|2,0,0]=4 3116 B13R1.28 NCCCOCCc1ccccc1 34a_100000182051_100000765856 [2,0,0,0,0,0|1,0,0]=3 3117 B13R1.28 NCCOCCCc1ccccc1 34a_100000210304_100000211621 [2,0,0,0,0,0|1,0,0]=3 3118 B13R1.28 NCCOCCOc1ccccc1 34a_100000210304_100000184471 [2,0,0,0,0,0|2,0,0]=4 3119 B13R1.28 NCCOCCSc1ccccc1 34a_100000210304_100000246102 [2,0,0,0,0,0|2,0,0]=4 3120 B13R1.28 NCCOCOCc1ccccc1 34a_100000210304_100000763385 [2,0,0,0,0,0|1,0,0]=3 3121 B13R1.28 NCCOCSCc1ccccc1 34a_100000210304_200011217039 [2,0,0,0,0,0|1,1,0]=4 3122 B13R1.28 NOCCOCCc1ccccc1 34a_100000700252_100000765856 [2,0,0,0,0,0|2,0,0]=4 3123 B13R1.28 O=CCOCCCc1ccccc1 34a_100000210828_200009817547 [2,0,0,0,0,0|1,0,1]=4 3124 B13R1.28 O=CCOCCCc1ccccc1 7a_100000210828_200015260668 [2,0,0,0,0,0|1,0,1]=4 3125 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [2,0,0,0,0,0|2,0,0]=4 3126 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [2,0,0,0,0,0|2,0,0]=4 3127 B13R1.28 OCCCNCCc1ccccc1 2230a_100000106460_100000230001 [2,0,0,0,0,0|2,0,0]=4 3128 B13R1.28 OCCCNCCc1ccccc1 34a_100000106460_100000230001 [2,0,0,0,0,0|2,0,0]=4 3129 B13R1.28 OCCCOCCc1ccccc1 34a_100000210268_100000230001 [2,0,0,0,0,0|1,0,0]=3 3130 B13R1.28 OCCCOCCc1ccccc1 7a_100000210268_100011215043 [2,0,0,0,0,0|1,0,0]=3 3131 B13R1.28 OCCCOCCc1ccccn1 34a_100000210271_100000230001 [2,0,0,0,0,0|2,0,0]=4 3132 B13R1.28 OCCCOCCc1cccnc1 34a_100011217484_100000230001 [2,0,0,0,0,0|2,0,0]=4 3133 B13R1.28 OCCCOCCc1ccncc1 34a_100011216225_100000230001 [2,0,0,0,0,0|2,0,0]=4 3134 B13R1.28 OCCCSCCc1ccccc1 62a_100000765856_100011215043 [2,0,0,0,0,0|1,1,0]=4 3135 B13R1.28 OCCCSCCc1ccccc1 62a_100011215043_100011218657 [2,0,0,0,0,0|1,1,0]=4 3136 B13R1.28 OCCNCCCc1ccccc1 2230a_100000211184_100000211926 [2,0,0,0,0,0|2,0,0]=4 3137 B13R1.28 OCCNCCCc1ccccc1 2230a_100016997473_100000211621 [2,0,0,0,0,0|2,0,0]=4 3138 B13R1.28 OCCNCCCc1ccccc1 34a_100000211184_100000211926 [2,0,0,0,0,0|2,0,0]=4 3139 B13R1.28 OCCNCCCc1ccccc1 34a_100016990907_100000211621 [2,0,0,0,0,0|2,0,0]=4 3140 B13R1.28 OCCNCOCc1ccccc1 2230a_100016997473_100000763385 [2,0,0,0,0,0|2,0,0]=4 3141 B13R1.28 OCCNCOCc1ccccc1 34a_100016990907_100000763385 [2,0,0,0,0,0|2,0,0]=4 3142 B13R1.28 OCCOCCCc1ccccc1 34a_100000210828_100000211926 [2,0,0,0,0,0|1,0,0]=3 3143 B13R1.28 OCCOCCCc1ccccc1 7a_100000210828_100000211926 [2,0,0,0,0,0|1,0,0]=3 3144 B13R1.28 OCCOCCCc1ccccn1 34a_100011215068_100000211926 [2,0,0,0,0,0|2,0,0]=4 3145 B13R1.28 OCCOCCCc1cccnc1 34a_100000211284_100000211926 [2,0,0,0,0,0|2,0,0]=4 3146 B13R1.28 OCCOCCCc1ccncc1 34a_100000210659_100000211926 [2,0,0,0,0,0|2,0,0]=4 3147 B13R1.28 OCCOCCNc1ccccc1 34a_100000106764_100000692535 [2,0,0,0,0,0|2,0,0]=4 3148 B13R1.28 OCCOCCNc1ccccc1 34a_100000211345_100000211926 [2,0,0,0,0,0|2,0,0]=4 3149 B13R1.28 OCCOCCOc1ccccc1 34a_100000210260_100000211926 [2,0,0,0,0,0|2,0,0]=4 3150 B13R1.28 OCCOCCOc1ccccc1 34a_100000210340_100000692535 [2,0,0,0,0,0|2,0,0]=4 3151 B13R1.28 OCCOCCOc1ccccc1 7a_100000210260_100000211926 [2,0,0,0,0,0|2,0,0]=4 3152 B13R1.28 OCCOCCOc1ccccc1 7a_100000210340_100011215305 [2,0,0,0,0,0|2,0,0]=4 3153 B13R1.28 OCCOCCSc1ccccc1 62a_100000719477_100011215305 [2,0,0,0,0,0|2,0,0]=4 3154 B13R1.28 OCCOCCSc1ccccc1 62a_100011215305_100000041952 [2,0,0,0,0,0|2,0,0]=4 3155 B13R1.28 OCCOCCSc1ccccc1 7a_100000230494_100000211926 [2,0,0,0,0,0|2,0,0]=4 3156 B13R1.28 OCCSCCCc1ccccc1 62a_100000211621_100000211926 [2,0,0,0,0,0|1,1,0]=4 3157 B13R1.28 OCCSCCCc1ccccc1 62a_100000211926_100000211621 [2,0,0,0,0,0|1,1,0]=4 3158 B13R1.28 OCCSCOCc1ccccc1 62a_100000211926_100000763385 [2,0,0,0,0,0|1,1,0]=4 3159 B13R1.28 OCCSCOCc1ccccc1 62a_100000763385_100000211926 [2,0,0,0,0,0|1,1,0]=4 3160 B13R1.28 [13CH3]NCCCCCc1ccccc1 2230a_100000750932_200025704644 [2,0,0,0,0,0|2,0,0]=4 3161 B13R1.28 [13CH3]NCCCCCc1ccccc1 34a_100000750932_200025704644 [2,0,0,0,0,0|2,0,0]=4 3162 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [2,0,0,0,0,0|2,0,0]=4 3163 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [2,0,0,0,0,0|2,0,0]=4 3164 B13R1.28 [13CH3]OCCCCCc1ccccc1 34a_200011219639_200025704644 [2,0,0,0,0,0|2,0,0]=4 3165 B13R1.28 [13CH3]OCCCCCc1ccccc1 7a_200011219639_200025704644 [2,0,0,0,0,0|2,0,0]=4 3166 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [2,0,0,0,0,0|2,0,0]=4 3167 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [2,0,0,0,0,0|2,0,0]=4 3168 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200011217138_200025704644 [2,0,0,0,0,0|2,0,0]=4 3169 B13R1.28 [13CH3]SCCCCCc1ccccc1 62a_200025704644_200011217138 [2,0,0,0,0,0|2,0,0]=4 3170 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [2,0,0,0,0,0|2,0,0]=4 3171 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [2,0,0,0,0,0|2,0,0]=4 3172 B13R1.718 C#CC(C)OCCc1ccccc1 34a_100000210268_200000035995 [2,0,0,0,0,0|0,0,2]=4 3173 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 34a_100009815206_100000765856 [2,0,0,0,0,0|0,0,2]=4 3174 B13R1.718 C#C[C@@H](C)OCCc1ccccc1 7a_100009815206_100000765856 [2,0,0,0,0,0|0,0,2]=4 3175 B13R1.718 C=CC(C)OCCc1ccccc1 34a_100000695699_100000765856 [2,0,0,0,0,0|0,0,2]=4 3176 B13R1.718 CC(C#N)OCCc1ccccc1 34a_100011218135_100000765856 [2,0,0,0,0,0|1,0,1]=4 3177 B13R1.718 CC(C#N)OCCc1ccccc1 7a_100000210268_100000703298 [2,0,0,0,0,0|1,0,1]=4 3178 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200010759516_200025704644 [2,0,0,0,0,0|1,1,0]=4 3179 B13R1.718 CC(CCCc1ccccc1)S[13CH3] 62a_200025704644_200010759516 [2,0,0,0,0,0|1,1,0]=4 3180 B13R1.718 CC(CF)OCCc1ccccc1 34a_100016041109_100000765856 [2,0,0,0,0,0|1,0,0]=3 3181 B13R1.718 CC(CF)OCCc1ccccc1 7a_100016041109_100000765856 [2,0,0,0,0,0|1,0,0]=3 3182 B13R1.718 CC(CF)OCCc1ccccn1 7a_100016041109_100015183660 [2,0,0,0,0,0|2,0,0]=4 3183 B13R1.718 CC(CF)OCCc1cccnc1 7a_100016041109_200011713674 [2,0,0,0,0,0|2,0,0]=4 3184 B13R1.718 CC(CF)OCCc1ccncc1 7a_100016041109_100000723409 [2,0,0,0,0,0|2,0,0]=4 3185 B13R1.718 CC(CN)OCCc1ccccc1 34a_100000210904_100000765856 [2,0,0,0,0,0|1,0,0]=3 3186 B13R1.718 CC(CO)NCCc1ccccc1 2230a_100000106460_100012180447 [2,0,0,0,0,0|2,0,0]=4 3187 B13R1.718 CC(CO)NCCc1ccccc1 34a_100000106460_100012180447 [2,0,0,0,0,0|2,0,0]=4 3188 B13R1.718 CC(CO)OCCc1ccccc1 34a_100000210268_100012180447 [2,0,0,0,0,0|1,0,0]=3 3189 B13R1.718 CC(CO)OCCc1ccccc1 7a_100000210268_100012180447 [2,0,0,0,0,0|1,0,0]=3 3190 B13R1.718 CC(CO)OCCc1ccccn1 34a_100000210271_100012180447 [2,0,0,0,0,0|2,0,0]=4 3191 B13R1.718 CC(CO)OCCc1cccnc1 34a_100011217484_100012180447 [2,0,0,0,0,0|2,0,0]=4 3192 B13R1.718 CC(CO)OCCc1ccncc1 34a_100011216225_100012180447 [2,0,0,0,0,0|2,0,0]=4 3193 B13R1.718 CC(CO)SCCc1ccccc1 62a_100012180447_100011218657 [2,0,0,0,0,0|1,1,0]=4 3194 B13R1.718 CC(COCc1ccccc1)O[13CH3] 34a_100000764311_200025704644 [2,0,0,0,0,0|2,0,0]=4 3195 B13R1.718 CC(COCc1ccccc1)O[13CH3] 7a_100000764311_200025704644 [2,0,0,0,0,0|2,0,0]=4 3196 B13R1.718 CCC(C)CNCc1ccccc1 207a_100020588543_100015611070 [2,0,0,0,0,0|2,0,0]=4 3197 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100015324214_100000748023 [2,0,0,0,0,0|2,0,0]=4 3198 B13R1.718 CCC(C)CNCc1ccccc1 2230a_100020588543_100015291786 [2,0,0,0,0,0|2,0,0]=4 3199 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100015324214_100000243153 [2,0,0,0,0,0|2,0,0]=4 3200 B13R1.718 CCC(C)CNCc1ccccc1 270004a_100020588543_100015611070 [2,0,0,0,0,0|2,0,0]=4 3201 B13R1.718 CCC(C)CNCc1ccccc1 34a_100015324214_100000748023 [2,0,0,0,0,0|2,0,0]=4 3202 B13R1.718 CCC(C)COCc1ccccc1 34a_100000210790_100000748023 [2,0,0,0,0,0|2,0,0]=4 3203 B13R1.718 CCC(C)COCc1ccccc1 7a_100000210790_100000748023 [2,0,0,0,0,0|2,0,0]=4 3204 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000211182_100000748023 [2,0,0,0,0,0|2,0,0]=4 3205 B13R1.718 CCC(C)CSCc1ccccc1 62a_100000748023_100015291786 [2,0,0,0,0,0|2,0,0]=4 3206 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000106460_100000758301 [2,0,0,0,0,0|1,0,0]=3 3207 B13R1.718 CCC(C)NCCc1ccccc1 2230a_100000209981_100000765856 [2,0,0,0,0,0|1,0,0]=3 3208 B13R1.718 CCC(C)NCCc1ccccc1 34a_100000106460_100011215416 [2,0,0,0,0,0|1,0,0]=3 3209 B13R1.718 CCC(C)NCCc1ccccn1 2230a_100000209981_100015183660 [2,0,0,0,0,0|2,0,0]=4 3210 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000209981_200011713674 [2,0,0,0,0,0|2,0,0]=4 3211 B13R1.718 CCC(C)NCCc1cccnc1 2230a_100000736294_100000758301 [2,0,0,0,0,0|2,0,0]=4 3212 B13R1.718 CCC(C)NCCc1ccncc1 2230a_100000209981_100000723409 [2,0,0,0,0,0|2,0,0]=4 3213 B13R1.718 CCC(C)NCSc1ccccc1 2230a_100000209981_100011218342 [2,0,0,0,0,0|2,0,0]=4 3214 B13R1.718 CCC(C)OCCc1ccccc1 34a_100000210268_100011215416 [2,0,0,0,0,0|0,0,0]=2 3215 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210228_100000765856 [2,0,0,0,0,0|0,0,0]=2 3216 B13R1.718 CCC(C)OCCc1ccccc1 7a_100000210268_100000758301 [2,0,0,0,0,0|0,0,0]=2 3217 B13R1.718 CCC(C)OCCc1ccccn1 34a_100000210271_100011215416 [2,0,0,0,0,0|1,0,0]=3 3218 B13R1.718 CCC(C)OCCc1ccccn1 7a_100000210228_100015183660 [2,0,0,0,0,0|1,0,0]=3 3219 B13R1.718 CCC(C)OCCc1cccnc1 34a_100011217484_100011215416 [2,0,0,0,0,0|1,0,0]=3 3220 B13R1.718 CCC(C)OCCc1cccnc1 7a_100000210228_200011713674 [2,0,0,0,0,0|1,0,0]=3 3221 B13R1.718 CCC(C)OCCc1ccncc1 34a_100011216225_100011215416 [2,0,0,0,0,0|1,0,0]=3 3222 B13R1.718 CCC(C)OCCc1ccncc1 7a_100000210228_100000723409 [2,0,0,0,0,0|1,0,0]=3 3223 B13R1.718 CCC(C)OCCc1cnccn1 34a_100011349526_100011215416 [2,0,0,0,0,0|2,0,0]=4 3224 B13R1.718 CCC(C)OCCc1cncnc1 34a_100011709255_100011215416 [2,0,0,0,0,0|2,0,0]=4 3225 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000758301_100011218657 [2,0,0,0,0,0|0,1,0]=3 3226 B13R1.718 CCC(C)SCCc1ccccc1 62a_100000765856_100000758301 [2,0,0,0,0,0|0,1,0]=3 3227 B13R1.718 CCC(C)SCCc1ccccn1 62a_100000758301_100015183660 [2,0,0,0,0,0|1,1,0]=4 3228 B13R1.718 CCC(C)SCCc1ccccn1 62a_100015183660_100000758301 [2,0,0,0,0,0|1,1,0]=4 3229 B13R1.718 CCC(C)SCCc1cccnc1 62a_100000758301_200011713674 [2,0,0,0,0,0|1,1,0]=4 3230 B13R1.718 CCC(C)SCCc1cccnc1 62a_200011713674_100000758301 [2,0,0,0,0,0|1,1,0]=4 3231 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000723409_100000758301 [2,0,0,0,0,0|1,1,0]=4 3232 B13R1.718 CCC(C)SCCc1ccncc1 62a_100000758301_100000723409 [2,0,0,0,0,0|1,1,0]=4 3233 B13R1.718 CCC(C)SCSc1ccccc1 62a_100000758301_100011218342 [2,0,0,0,0,0|1,1,0]=4 3234 B13R1.718 CCC(C)SCSc1ccccc1 62a_100011218342_100000758301 [2,0,0,0,0,0|1,1,0]=4 3235 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000225621_100000211621 [2,0,0,0,0,0|2,0,0]=4 3236 B13R1.718 CCN(C)CCCc1ccccc1 2230a_100000693637_100000210202 [2,0,0,0,0,0|2,0,0]=4 3237 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000225621_100000211621 [2,0,0,0,0,0|2,0,0]=4 3238 B13R1.718 CCN(C)CCCc1ccccc1 269982a_100000693637_100000204670 [2,0,0,0,0,0|2,0,0]=4 3239 B13R1.718 CC[C@H](C)CNCc1ccccc1 2230a_100015324214_100009816398 [2,0,0,0,0,0|2,0,0]=4 3240 B13R1.718 CC[C@H](C)CNCc1ccccc1 34a_100015324214_100009816398 [2,0,0,0,0,0|2,0,0]=4 3241 B13R1.718 CC[C@H](C)COCc1ccccc1 34a_100000210790_100009816398 [2,0,0,0,0,0|2,0,0]=4 3242 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100000210790_100009816398 [2,0,0,0,0,0|2,0,0]=4 3243 B13R1.718 CC[C@H](C)COCc1ccccc1 7a_100009816381_100000211182 [2,0,0,0,0,0|2,0,0]=4 3244 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100000211182_100009816398 [2,0,0,0,0,0|2,0,0]=4 3245 B13R1.718 CC[C@H](C)CSCc1ccccc1 62a_100009816398_100015291786 [2,0,0,0,0,0|2,0,0]=4 3246 B13R1.718 CNC(C)CCCc1ccccc1 2230a_106832991635_200010759516 [2,0,0,0,0,0|2,0,0]=4 3247 B13R1.718 CNC(C)CCCc1ccccc1 34a_100102657272_200010759516 [2,0,0,0,0,0|2,0,0]=4 3248 B13R1.718 CNC(C)CCCc1ccccc1 7a_106832991635_200010759516 [2,0,0,0,0,0|2,0,0]=4 3249 B13R1.718 COC(C)CCCc1ccccc1 34a_100138415774_200010759516 [2,0,0,0,0,0|1,0,0]=3 3250 B13R1.718 COC(C)COCc1ccccc1 34a_100000690652_100015291786 [2,0,0,0,0,0|2,0,0]=4 3251 B13R1.718 COC(C)COCc1ccccc1 34a_100000764311_200000210301 [2,0,0,0,0,0|2,0,0]=4 3252 B13R1.718 COC(C)COCc1ccccc1 7a_100000764311_200000210301 [2,0,0,0,0,0|2,0,0]=4 3253 B13R1.718 COC(C)SCCc1ccccc1 62a_100000765856_100009879195 [2,0,0,0,0,0|0,1,0]=3 3254 B13R1.718 COC(C)SCCc1ccccc1 62a_100009879195_100011218657 [2,0,0,0,0,0|0,1,0]=3 3255 B13R1.718 COC(C)SCCc1ccccn1 62a_100009879195_100015183660 [2,0,0,0,0,0|1,1,0]=4 3256 B13R1.718 COC(C)SCCc1ccccn1 62a_100015183660_100009879195 [2,0,0,0,0,0|1,1,0]=4 3257 B13R1.718 COC(C)SCCc1cccnc1 62a_100009879195_200011713674 [2,0,0,0,0,0|1,1,0]=4 3258 B13R1.718 COC(C)SCCc1cccnc1 62a_200011713674_100009879195 [2,0,0,0,0,0|1,1,0]=4 3259 B13R1.718 COC(C)SCCc1ccncc1 62a_100000723409_100009879195 [2,0,0,0,0,0|1,1,0]=4 3260 B13R1.718 COC(C)SCCc1ccncc1 62a_100009879195_100000723409 [2,0,0,0,0,0|1,1,0]=4 3261 B13R1.718 COC(C)SCSc1ccccc1 62a_100009879195_100011218342 [2,0,0,0,0,0|1,1,0]=4 3262 B13R1.718 COC(C)SCSc1ccccc1 62a_100011218342_100009879195 [2,0,0,0,0,0|1,1,0]=4 3263 B13R1.718 CO[C@H](C)CNCc1ccccc1 207a_100020591295_100015611070 [2,0,0,0,0,0|2,0,0]=4 3264 B13R1.718 CO[C@H](C)CNCc1ccccc1 2230a_100020591295_100015291786 [2,0,0,0,0,0|2,0,0]=4 3265 B13R1.718 CO[C@H](C)CNCc1ccccc1 270004a_100020591295_100015611070 [2,0,0,0,0,0|2,0,0]=4 3266 B13R1.718 CSC(C)CCCc1ccccc1 62a_200000210301_200010759516 [2,0,0,0,0,0|1,1,0]=4 3267 B13R1.718 CSC(C)CCCc1ccccc1 62a_200010759516_200000210301 [2,0,0,0,0,0|1,1,0]=4 3268 B13R1.718 C[C@H](CO)NCCc1ccccc1 2230a_100000737577_100000765856 [2,0,0,0,0,0|2,0,0]=4 3269 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100000765856_100016084084 [2,0,0,0,0,0|1,1,0]=4 3270 B13R1.718 C[C@H](CO)SCCc1ccccc1 62a_100016084084_100011218657 [2,0,0,0,0,0|1,1,0]=4 3271 B15R1.12 BrCCCCOCCc1ccc(cc1)Br 34a_100011216708_100011740612 [1,1,0,0,0,0|2,0,0]=4 3272 B15R1.12 BrCCOCCCCc1ccc(cc1)Br 34a_100000211926_200012094861 [1,1,0,0,0,0|2,0,0]=4 3273 B15R1.12 Brc1ccc(cc1)CCOCCCCI 34a_200012148704_100011740612 [1,1,0,0,0,0|2,0,0]=4 3274 B15R1.12 CC/C=C\COCCc1ccc(cc1)Br 34a_100000766406_100103147603 [1,1,0,0,0,0|1,0,1]=4 3275 B15R1.12 CC/C=C\COCCc1ccc(cc1)Br 34a_100016268518_100011740612 [1,1,0,0,0,0|1,0,1]=4 3276 B15R1.12 CC/C=C\COCCc1ccc(cc1)Br 7a_100000766406_100103147603 [1,1,0,0,0,0|1,0,1]=4 3277 B15R1.12 CC/C=C\COCCc1ccc(cc1)C 34a_100000756670_100103147603 [1,1,0,0,0,0|1,0,1]=4 3278 B15R1.12 CC/C=C\COCCc1ccc(cc1)C 34a_100016268518_100011713686 [1,1,0,0,0,0|1,0,1]=4 3279 B15R1.12 CC/C=C\COCCc1ccc(cc1)C 7a_100000756670_100103147603 [1,1,0,0,0,0|1,0,1]=4 3280 B15R1.12 CC/C=C\COCCc1ccc(cc1)Cl 34a_100011219627_100103147603 [1,1,0,0,0,0|1,0,1]=4 3281 B15R1.12 CC/C=C\COCCc1ccc(cc1)Cl 34a_100016268518_100011713675 [1,1,0,0,0,0|1,0,1]=4 3282 B15R1.12 CC/C=C\COCCc1ccc(cc1)Cl 7a_100011219627_100103147603 [1,1,0,0,0,0|1,0,1]=4 3283 B15R1.12 CC/C=C\COCCc1ccc(cc1)F 34a_100000754732_100103147603 [1,1,0,0,0,0|1,0,1]=4 3284 B15R1.12 CC/C=C\COCCc1ccc(cc1)F 34a_100016268518_100011217392 [1,1,0,0,0,0|1,0,1]=4 3285 B15R1.12 CC/C=C\COCCc1ccc(cc1)F 7a_100000754732_100103147603 [1,1,0,0,0,0|1,0,1]=4 3286 B15R1.12 CC/C=C\COCCc1ccc(cc1)I 34a_100012291149_100103147603 [1,1,0,0,0,0|1,0,1]=4 3287 B15R1.12 CC/C=C\COCCc1ccc(cc1)I 7a_100012291149_100103147603 [1,1,0,0,0,0|1,0,1]=4 3288 B15R1.12 CC/C=C\COCCc1ccc(cc1)N 34a_100011204434_100103147603 [1,1,0,0,0,0|1,0,1]=4 3289 B15R1.12 CCC#CCOCCc1ccc(cc1)Br 34a_100000032950_100011740612 [1,1,0,0,0,0|1,0,1]=4 3290 B15R1.12 CCC#CCOCCc1ccc(cc1)Br 34a_100000766406_100009813939 [1,1,0,0,0,0|1,0,1]=4 3291 B15R1.12 CCC#CCOCCc1ccc(cc1)Br 7a_100000766406_100009813939 [1,1,0,0,0,0|1,0,1]=4 3292 B15R1.12 CCC#CCOCCc1ccc(cc1)C 34a_100000032950_100011713686 [1,1,0,0,0,0|1,0,1]=4 3293 B15R1.12 CCC#CCOCCc1ccc(cc1)C 34a_100000756670_100009813939 [1,1,0,0,0,0|1,0,1]=4 3294 B15R1.12 CCC#CCOCCc1ccc(cc1)C 7a_100000756670_100009813939 [1,1,0,0,0,0|1,0,1]=4 3295 B15R1.12 CCC#CCOCCc1ccc(cc1)Cl 34a_100000032950_100011713675 [1,1,0,0,0,0|1,0,1]=4 3296 B15R1.12 CCC#CCOCCc1ccc(cc1)Cl 34a_100011219627_100009813939 [1,1,0,0,0,0|1,0,1]=4 3297 B15R1.12 CCC#CCOCCc1ccc(cc1)Cl 7a_100011219627_100009813939 [1,1,0,0,0,0|1,0,1]=4 3298 B15R1.12 CCC#CCOCCc1ccc(cc1)F 34a_100000032950_100011217392 [1,1,0,0,0,0|1,0,1]=4 3299 B15R1.12 CCC#CCOCCc1ccc(cc1)F 34a_100000754732_100009813939 [1,1,0,0,0,0|1,0,1]=4 3300 B15R1.12 CCC#CCOCCc1ccc(cc1)F 7a_100000754732_100009813939 [1,1,0,0,0,0|1,0,1]=4 3301 B15R1.12 CCC#CCOCCc1ccc(cc1)I 34a_100012291149_100009813939 [1,1,0,0,0,0|1,0,1]=4 3302 B15R1.12 CCC#CCOCCc1ccc(cc1)I 7a_100012291149_100009813939 [1,1,0,0,0,0|1,0,1]=4 3303 B15R1.12 CCC#CCOCCc1ccc(cc1)N 34a_100011204434_100009813939 [1,1,0,0,0,0|1,0,1]=4 3304 B15R1.12 CCCCCCCCc1ccc(cc1)O 271570a_203496583355_100009813488 [1,1,0,0,0,0|2,0,0]=4 3305 B15R1.12 CCCCCNCCc1ccc(cc1)Br 2230a_100000209983_100011740612 [1,1,0,0,0,0|2,0,0]=4 3306 B15R1.12 CCCCCNCCc1ccc(cc1)Br 2230a_100000755846_100000210326 [1,1,0,0,0,0|2,0,0]=4 3307 B15R1.12 CCCCCNCCc1ccc(cc1)Br 34a_100000755846_100000718602 [1,1,0,0,0,0|2,0,0]=4 3308 B15R1.12 CCCCCNCCc1ccc(cc1)C 2230a_100000209983_100011713686 [1,1,0,0,0,0|2,0,0]=4 3309 B15R1.12 CCCCCNCCc1ccc(cc1)C 2230a_100000705350_100000210326 [1,1,0,0,0,0|2,0,0]=4 3310 B15R1.12 CCCCCNCCc1ccc(cc1)C 34a_100000705350_100000718602 [1,1,0,0,0,0|2,0,0]=4 3311 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 2230a_100000185265_100000210326 [1,1,0,0,0,0|2,0,0]=4 3312 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 2230a_100000209983_100011713675 [1,1,0,0,0,0|2,0,0]=4 3313 B15R1.12 CCCCCNCCc1ccc(cc1)Cl 34a_100000185265_100000718602 [1,1,0,0,0,0|2,0,0]=4 3314 B15R1.12 CCCCCNCCc1ccc(cc1)F 2230a_100000199005_100000210326 [1,1,0,0,0,0|2,0,0]=4 3315 B15R1.12 CCCCCNCCc1ccc(cc1)F 2230a_100000209983_100011217392 [1,1,0,0,0,0|2,0,0]=4 3316 B15R1.12 CCCCCNCCc1ccc(cc1)F 34a_100000199005_100000718602 [1,1,0,0,0,0|2,0,0]=4 3317 B15R1.12 CCCCCNCCc1ccc(cc1)O 2230a_100000209983_100009816426 [1,1,0,0,0,0|2,0,0]=4 3318 B15R1.12 CCCCCNCCc1ccc(cc1)O 34a_100000743037_100000718602 [1,1,0,0,0,0|2,0,0]=4 3319 B15R1.12 CCCCCOCCc1ccc(cc1)Br 34a_100000210253_100011740612 [1,1,0,0,0,0|1,0,0]=3 3320 B15R1.12 CCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000718602 [1,1,0,0,0,0|1,0,0]=3 3321 B15R1.12 CCCCCOCCc1ccc(cc1)Br 7a_100000210253_100011740612 [1,1,0,0,0,0|1,0,0]=3 3322 B15R1.12 CCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210326 [1,1,0,0,0,0|1,0,0]=3 3323 B15R1.12 CCCCCOCCc1ccc(cc1)C 34a_100000210253_100011713686 [1,1,0,0,0,0|1,0,0]=3 3324 B15R1.12 CCCCCOCCc1ccc(cc1)C 34a_100000756670_100000718602 [1,1,0,0,0,0|1,0,0]=3 3325 B15R1.12 CCCCCOCCc1ccc(cc1)C 7a_100000210253_100011713686 [1,1,0,0,0,0|1,0,0]=3 3326 B15R1.12 CCCCCOCCc1ccc(cc1)C 7a_100000756670_100000210326 [1,1,0,0,0,0|1,0,0]=3 3327 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 34a_100000210253_100011713675 [1,1,0,0,0,0|1,0,0]=3 3328 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000718602 [1,1,0,0,0,0|1,0,0]=3 3329 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 7a_100000210253_100011713675 [1,1,0,0,0,0|1,0,0]=3 3330 B15R1.12 CCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210326 [1,1,0,0,0,0|1,0,0]=3 3331 B15R1.12 CCCCCOCCc1ccc(cc1)F 34a_100000210253_100011217392 [1,1,0,0,0,0|1,0,0]=3 3332 B15R1.12 CCCCCOCCc1ccc(cc1)F 34a_100000754732_100000718602 [1,1,0,0,0,0|1,0,0]=3 3333 B15R1.12 CCCCCOCCc1ccc(cc1)F 7a_100000210253_100011217392 [1,1,0,0,0,0|1,0,0]=3 3334 B15R1.12 CCCCCOCCc1ccc(cc1)F 7a_100000754732_100000210326 [1,1,0,0,0,0|1,0,0]=3 3335 B15R1.12 CCCCCOCCc1ccc(cc1)I 34a_100012291149_100000718602 [1,1,0,0,0,0|1,0,0]=3 3336 B15R1.12 CCCCCOCCc1ccc(cc1)I 7a_100012291149_100000210326 [1,1,0,0,0,0|1,0,0]=3 3337 B15R1.12 CCCCCOCCc1ccc(cc1)N 34a_100011204434_100000718602 [1,1,0,0,0,0|1,0,0]=3 3338 B15R1.12 CCCCCOCCc1ccc(cc1)O 7a_100000210253_100009816426 [1,1,0,0,0,0|1,0,0]=3 3339 B15R1.12 CCCCCOCCc1ccc(cn1)Br 34a_100012357577_100000718602 [1,1,0,0,0,0|2,0,0]=4 3340 B15R1.12 CCCCCOCCc1ccc(nc1)C 34a_100011815783_100000718602 [1,1,0,0,0,0|2,0,0]=4 3341 B15R1.12 CCCCCOCCc1ccc(nc1)Cl 34a_100009880866_100000718602 [1,1,0,0,0,0|2,0,0]=4 3342 B15R1.12 CCCCCOCCc1ccc(nc1)Cl 7a_100009880866_100000210326 [1,1,0,0,0,0|2,0,0]=4 3343 B15R1.12 CCCCCSCCc1ccc(cc1)Br 62a_100000210326_100011740612 [1,1,0,0,0,0|1,1,0]=4 3344 B15R1.12 CCCCCSCCc1ccc(cc1)Br 62a_100011740612_100000210326 [1,1,0,0,0,0|1,1,0]=4 3345 B15R1.12 CCCCCSCCc1ccc(cc1)C 62a_100000210326_100011713686 [1,1,0,0,0,0|1,1,0]=4 3346 B15R1.12 CCCCCSCCc1ccc(cc1)C 62a_100011713686_100000210326 [1,1,0,0,0,0|1,1,0]=4 3347 B15R1.12 CCCCCSCCc1ccc(cc1)Cl 62a_100000210326_100011713675 [1,1,0,0,0,0|1,1,0]=4 3348 B15R1.12 CCCCCSCCc1ccc(cc1)Cl 62a_100011713675_100000210326 [1,1,0,0,0,0|1,1,0]=4 3349 B15R1.12 CCCCCSCCc1ccc(cc1)F 62a_100000210326_100011217392 [1,1,0,0,0,0|1,1,0]=4 3350 B15R1.12 CCCCCSCCc1ccc(cc1)F 62a_100011217392_100000210326 [1,1,0,0,0,0|1,1,0]=4 3351 B15R1.12 CCCCCSCCc1ccc(cc1)O 62a_100000210326_100009816426 [1,1,0,0,0,0|1,1,0]=4 3352 B15R1.12 CCCCCSCCc1ccc(cc1)O 62a_100009816426_100000210326 [1,1,0,0,0,0|1,1,0]=4 3353 B15R1.12 CCCNCCCCc1ccc(cc1)Cl 2230a_100160821348_100000210303 [1,1,0,0,0,0|2,0,0]=4 3354 B15R1.12 CCCNCCCCc1ccc(cc1)Cl 34a_100160821348_100000210303 [1,1,0,0,0,0|2,0,0]=4 3355 B15R1.12 CCCOCCCCc1ccc(cc1)Br 34a_100000210258_200012094861 [1,1,0,0,0,0|1,0,0]=3 3356 B15R1.12 CCCOCCCCc1ccc(cc1)F 34a_100000210258_100012093538 [1,1,0,0,0,0|1,0,0]=3 3357 B15R1.12 CCCOCCCOc1ccc(cc1)Br 34a_100000210258_100011259224 [1,1,0,0,0,0|2,0,0]=4 3358 B15R1.12 CCCOCCCOc1ccc(cc1)Br 34a_100000756186_100000210303 [1,1,0,0,0,0|2,0,0]=4 3359 B15R1.12 CCCOCCCOc1ccc(cc1)Br 7a_100000756186_100000210303 [1,1,0,0,0,0|2,0,0]=4 3360 B15R1.12 CCCOCCCOc1ccc(cc1)F 34a_100000210258_100000181347 [1,1,0,0,0,0|2,0,0]=4 3361 B15R1.12 CCCOCCCOc1ccc(cc1)N 34a_100000730458_100000210303 [1,1,0,0,0,0|2,0,0]=4 3362 B15R1.12 CCCOCCNCc1ccc(cc1)Br 207a_100161115042_100000186029 [1,1,0,0,0,0|2,0,0]=4 3363 B15R1.12 CCCOCCNCc1ccc(cc1)Br 2230a_100000174875_100011215938 [1,1,0,0,0,0|2,0,0]=4 3364 B15R1.12 CCCOCCNCc1ccc(cc1)Br 2230a_100161115042_100011217064 [1,1,0,0,0,0|2,0,0]=4 3365 B15R1.12 CCCOCCNCc1ccc(cc1)Br 270004a_100161115042_100000186029 [1,1,0,0,0,0|2,0,0]=4 3366 B15R1.12 CCCOCCNCc1ccc(cc1)Br 34a_100000174875_100011215938 [1,1,0,0,0,0|2,0,0]=4 3367 B15R1.12 CCCOCCNCc1ccc(cc1)Br 34a_100000186819_100000210303 [1,1,0,0,0,0|2,0,0]=4 3368 B15R1.12 CCCOCCNCc1ccc(cc1)Br 34a_100161115042_100000189115 [1,1,0,0,0,0|2,0,0]=4 3369 B15R1.12 CCCOCCNCc1ccc(cc1)C 207a_100161115042_100000211033 [1,1,0,0,0,0|2,0,0]=4 3370 B15R1.12 CCCOCCNCc1ccc(cc1)C 2230a_100000174908_100011215938 [1,1,0,0,0,0|2,0,0]=4 3371 B15R1.12 CCCOCCNCc1ccc(cc1)C 2230a_100161115042_100000210814 [1,1,0,0,0,0|2,0,0]=4 3372 B15R1.12 CCCOCCNCc1ccc(cc1)C 270004a_100161115042_100000211033 [1,1,0,0,0,0|2,0,0]=4 3373 B15R1.12 CCCOCCNCc1ccc(cc1)C 34a_100000174908_100011215938 [1,1,0,0,0,0|2,0,0]=4 3374 B15R1.12 CCCOCCNCc1ccc(cc1)C 34a_100000186992_100000210303 [1,1,0,0,0,0|2,0,0]=4 3375 B15R1.12 CCCOCCNCc1ccc(cc1)C 34a_100161115042_100000210814 [1,1,0,0,0,0|2,0,0]=4 3376 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 207a_100161115042_100000189385 [1,1,0,0,0,0|2,0,0]=4 3377 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 2230a_100000174871_100011215938 [1,1,0,0,0,0|2,0,0]=4 3378 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 2230a_100161115042_100000694040 [1,1,0,0,0,0|2,0,0]=4 3379 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 270004a_100161115042_100000189385 [1,1,0,0,0,0|2,0,0]=4 3380 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 34a_100000174871_100011215938 [1,1,0,0,0,0|2,0,0]=4 3381 B15R1.12 CCCOCCNCc1ccc(cc1)Cl 34a_100161115042_100000694040 [1,1,0,0,0,0|2,0,0]=4 3382 B15R1.12 CCCOCCNCc1ccc(cc1)F 207a_100161115042_100000210084 [1,1,0,0,0,0|2,0,0]=4 3383 B15R1.12 CCCOCCNCc1ccc(cc1)F 2230a_100000174882_100011215938 [1,1,0,0,0,0|2,0,0]=4 3384 B15R1.12 CCCOCCNCc1ccc(cc1)F 2230a_100161115042_100000198546 [1,1,0,0,0,0|2,0,0]=4 3385 B15R1.12 CCCOCCNCc1ccc(cc1)F 270004a_100161115042_100000210084 [1,1,0,0,0,0|2,0,0]=4 3386 B15R1.12 CCCOCCNCc1ccc(cc1)F 34a_100000174882_100011215938 [1,1,0,0,0,0|2,0,0]=4 3387 B15R1.12 CCCOCCNCc1ccc(cc1)F 34a_100015183715_100000210303 [1,1,0,0,0,0|2,0,0]=4 3388 B15R1.12 CCCOCCNCc1ccc(cc1)F 34a_100161115042_100000198546 [1,1,0,0,0,0|2,0,0]=4 3389 B15R1.12 CCCOCCNCc1ccc(cc1)I 207a_100161115042_100000188517 [1,1,0,0,0,0|2,0,0]=4 3390 B15R1.12 CCCOCCNCc1ccc(cc1)I 2230a_100016989417_100011215938 [1,1,0,0,0,0|2,0,0]=4 3391 B15R1.12 CCCOCCNCc1ccc(cc1)I 2230a_100161115042_100000189116 [1,1,0,0,0,0|2,0,0]=4 3392 B15R1.12 CCCOCCNCc1ccc(cc1)I 34a_100016989417_100011215938 [1,1,0,0,0,0|2,0,0]=4 3393 B15R1.12 CCCOCCNCc1ccc(cc1)I 34a_100161115042_100000189116 [1,1,0,0,0,0|2,0,0]=4 3394 B15R1.12 CCCOCCNCc1ccc(cc1)O 34a_100000185549_100011215938 [1,1,0,0,0,0|2,0,0]=4 3395 B15R1.12 CCCOCCOCc1ccc(cc1)Br 34a_100000695286_100011215938 [1,1,0,0,0,0|2,0,0]=4 3396 B15R1.12 CCCOCCOCc1ccc(cc1)Br 34a_100000752267_100000189115 [1,1,0,0,0,0|2,0,0]=4 3397 B15R1.12 CCCOCCOCc1ccc(cc1)Br 7a_100000752267_100011217064 [1,1,0,0,0,0|2,0,0]=4 3398 B15R1.12 CCCOCCOCc1ccc(cc1)C 34a_100000752267_100000210814 [1,1,0,0,0,0|2,0,0]=4 3399 B15R1.12 CCCOCCOCc1ccc(cc1)C 34a_100011215236_100011215938 [1,1,0,0,0,0|2,0,0]=4 3400 B15R1.12 CCCOCCOCc1ccc(cc1)C 7a_100000752267_100000210814 [1,1,0,0,0,0|2,0,0]=4 3401 B15R1.12 CCCOCCOCc1ccc(cc1)C 7a_100011215236_100011215938 [1,1,0,0,0,0|2,0,0]=4 3402 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 34a_100000211118_100011215938 [1,1,0,0,0,0|2,0,0]=4 3403 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 34a_100000752267_100000694040 [1,1,0,0,0,0|2,0,0]=4 3404 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 7a_100000211118_100011215938 [1,1,0,0,0,0|2,0,0]=4 3405 B15R1.12 CCCOCCOCc1ccc(cc1)Cl 7a_100000752267_100000187161 [1,1,0,0,0,0|2,0,0]=4 3406 B15R1.12 CCCOCCOCc1ccc(cc1)F 34a_100000210977_100011215938 [1,1,0,0,0,0|2,0,0]=4 3407 B15R1.12 CCCOCCOCc1ccc(cc1)F 34a_100000752267_100000198546 [1,1,0,0,0,0|2,0,0]=4 3408 B15R1.12 CCCOCCOCc1ccc(cc1)F 7a_100000210977_100011215938 [1,1,0,0,0,0|2,0,0]=4 3409 B15R1.12 CCCOCCOCc1ccc(cc1)F 7a_100000752267_100000198546 [1,1,0,0,0,0|2,0,0]=4 3410 B15R1.12 CCCOCCOCc1ccc(cc1)I 34a_100000690907_100011215938 [1,1,0,0,0,0|2,0,0]=4 3411 B15R1.12 CCCOCCOCc1ccc(cc1)I 34a_100000752267_100000189116 [1,1,0,0,0,0|2,0,0]=4 3412 B15R1.12 CCCOCCOCc1ccc(cc1)I 7a_100000690907_100011215938 [1,1,0,0,0,0|2,0,0]=4 3413 B15R1.12 CCCOCCOCc1ccc(cc1)I 7a_100000752267_100000189116 [1,1,0,0,0,0|2,0,0]=4 3414 B15R1.12 CCCOCCOCc1ccc(cc1)N 34a_100011215238_100011215938 [1,1,0,0,0,0|2,0,0]=4 3415 B15R1.12 CCCOCCSCc1ccc(cc1)Br 62a_100000189115_100011215938 [1,1,0,0,0,0|2,0,0]=4 3416 B15R1.12 CCCOCCSCc1ccc(cc1)Br 62a_100011215938_100000189115 [1,1,0,0,0,0|2,0,0]=4 3417 B15R1.12 CCCOCCSCc1ccc(cc1)C 34a_100011212911_100000210303 [1,1,0,0,0,0|2,0,0]=4 3418 B15R1.12 CCCOCCSCc1ccc(cc1)C 62a_100000210814_100011215938 [1,1,0,0,0,0|2,0,0]=4 3419 B15R1.12 CCCOCCSCc1ccc(cc1)C 62a_100011215938_100000210814 [1,1,0,0,0,0|2,0,0]=4 3420 B15R1.12 CCCOCCSCc1ccc(cc1)C 7a_100011212911_100000210303 [1,1,0,0,0,0|2,0,0]=4 3421 B15R1.12 CCCOCCSCc1ccc(cc1)Cl 34a_200000186141_100000210303 [1,1,0,0,0,0|2,0,0]=4 3422 B15R1.12 CCCOCCSCc1ccc(cc1)Cl 62a_100000187161_100011215938 [1,1,0,0,0,0|2,0,0]=4 3423 B15R1.12 CCCOCCSCc1ccc(cc1)Cl 62a_100011215938_100000187161 [1,1,0,0,0,0|2,0,0]=4 3424 B15R1.12 CCCOCCSCc1ccc(cc1)Cl 7a_200000186141_100000210303 [1,1,0,0,0,0|2,0,0]=4 3425 B15R1.12 CCCOCCSCc1ccc(cc1)F 62a_100000198546_100011215938 [1,1,0,0,0,0|2,0,0]=4 3426 B15R1.12 CCCOCCSCc1ccc(cc1)F 62a_100011215938_100000187164 [1,1,0,0,0,0|2,0,0]=4 3427 B15R1.12 CCCOCCSCc1ccc(cc1)I 62a_100000189116_100011215938 [1,1,0,0,0,0|2,0,0]=4 3428 B15R1.12 CCCOCCSCc1ccc(cc1)I 62a_100011215938_100000189116 [1,1,0,0,0,0|2,0,0]=4 3429 B15R1.12 CCCSCCCCc1ccc(cc1)Br 62a_100000210303_200012094861 [1,1,0,0,0,0|1,1,0]=4 3430 B15R1.12 CCCSCCCCc1ccc(cc1)Br 62a_200012094861_100000210303 [1,1,0,0,0,0|1,1,0]=4 3431 B15R1.12 CCCSCCCCc1ccc(cc1)F 62a_100000210303_100012093538 [1,1,0,0,0,0|1,1,0]=4 3432 B15R1.12 CCCSCCCCc1ccc(cc1)F 62a_100012093538_100000210303 [1,1,0,0,0,0|1,1,0]=4 3433 B15R1.12 CCOCCOCCc1ccc(cc1)Br 34a_100000210136_100011740612 [1,1,0,0,0,0|2,0,0]=4 3434 B15R1.12 CCOCCOCCc1ccc(cc1)Br 34a_100000766406_100000210147 [1,1,0,0,0,0|2,0,0]=4 3435 B15R1.12 CCOCCOCCc1ccc(cc1)Br 7a_100000210136_100011740612 [1,1,0,0,0,0|2,0,0]=4 3436 B15R1.12 CCOCCOCCc1ccc(cc1)Br 7a_100000766406_100011215890 [1,1,0,0,0,0|2,0,0]=4 3437 B15R1.12 CCOCCOCCc1ccc(cc1)C 34a_100000210136_100011713686 [1,1,0,0,0,0|2,0,0]=4 3438 B15R1.12 CCOCCOCCc1ccc(cc1)C 34a_100000756670_100000210147 [1,1,0,0,0,0|2,0,0]=4 3439 B15R1.12 CCOCCOCCc1ccc(cc1)C 7a_100000210136_100011713686 [1,1,0,0,0,0|2,0,0]=4 3440 B15R1.12 CCOCCOCCc1ccc(cc1)C 7a_100000756670_100011215890 [1,1,0,0,0,0|2,0,0]=4 3441 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 34a_100000210136_100011713675 [1,1,0,0,0,0|2,0,0]=4 3442 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 34a_100011219627_100000210147 [1,1,0,0,0,0|2,0,0]=4 3443 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 7a_100000210136_100011713675 [1,1,0,0,0,0|2,0,0]=4 3444 B15R1.12 CCOCCOCCc1ccc(cc1)Cl 7a_100011219627_100011215890 [1,1,0,0,0,0|2,0,0]=4 3445 B15R1.12 CCOCCOCCc1ccc(cc1)F 34a_100000210136_100011217392 [1,1,0,0,0,0|2,0,0]=4 3446 B15R1.12 CCOCCOCCc1ccc(cc1)F 34a_100000754732_100000210147 [1,1,0,0,0,0|2,0,0]=4 3447 B15R1.12 CCOCCOCCc1ccc(cc1)F 7a_100000210136_100011217392 [1,1,0,0,0,0|2,0,0]=4 3448 B15R1.12 CCOCCOCCc1ccc(cc1)F 7a_100000754732_100011215890 [1,1,0,0,0,0|2,0,0]=4 3449 B15R1.12 CCOCCOCCc1ccc(cc1)I 34a_100012291149_100000210147 [1,1,0,0,0,0|2,0,0]=4 3450 B15R1.12 CCOCCOCCc1ccc(cc1)I 7a_100012291149_100011215890 [1,1,0,0,0,0|2,0,0]=4 3451 B15R1.12 CCOCCOCCc1ccc(cc1)N 34a_100011204434_100000210147 [1,1,0,0,0,0|2,0,0]=4 3452 B15R1.12 CCOCCOCCc1ccc(cc1)O 7a_100000210136_100009816426 [1,1,0,0,0,0|2,0,0]=4 3453 B15R1.12 CCSCCOCCc1ccc(cc1)Br 34a_100000212035_100011740612 [1,1,0,0,0,0|2,0,0]=4 3454 B15R1.12 CCSCCOCCc1ccc(cc1)Br 34a_100000766406_100000757381 [1,1,0,0,0,0|2,0,0]=4 3455 B15R1.12 CCSCCOCCc1ccc(cc1)Br 7a_100000212035_100011740612 [1,1,0,0,0,0|2,0,0]=4 3456 B15R1.12 CCSCCOCCc1ccc(cc1)Br 7a_100000766406_100000757381 [1,1,0,0,0,0|2,0,0]=4 3457 B15R1.12 CCSCCOCCc1ccc(cc1)C 34a_100000212035_100011713686 [1,1,0,0,0,0|2,0,0]=4 3458 B15R1.12 CCSCCOCCc1ccc(cc1)C 34a_100000756670_100000757381 [1,1,0,0,0,0|2,0,0]=4 3459 B15R1.12 CCSCCOCCc1ccc(cc1)C 7a_100000212035_100011713686 [1,1,0,0,0,0|2,0,0]=4 3460 B15R1.12 CCSCCOCCc1ccc(cc1)C 7a_100000756670_100000757381 [1,1,0,0,0,0|2,0,0]=4 3461 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 34a_100000212035_100011713675 [1,1,0,0,0,0|2,0,0]=4 3462 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 34a_100011219627_100000757381 [1,1,0,0,0,0|2,0,0]=4 3463 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 7a_100000212035_100011713675 [1,1,0,0,0,0|2,0,0]=4 3464 B15R1.12 CCSCCOCCc1ccc(cc1)Cl 7a_100011219627_100000757381 [1,1,0,0,0,0|2,0,0]=4 3465 B15R1.12 CCSCCOCCc1ccc(cc1)F 34a_100000212035_100011217392 [1,1,0,0,0,0|2,0,0]=4 3466 B15R1.12 CCSCCOCCc1ccc(cc1)F 34a_100000754732_100000757381 [1,1,0,0,0,0|2,0,0]=4 3467 B15R1.12 CCSCCOCCc1ccc(cc1)F 7a_100000212035_100011217392 [1,1,0,0,0,0|2,0,0]=4 3468 B15R1.12 CCSCCOCCc1ccc(cc1)F 7a_100000754732_100000757381 [1,1,0,0,0,0|2,0,0]=4 3469 B15R1.12 CCSCCOCCc1ccc(cc1)I 34a_100012291149_100000757381 [1,1,0,0,0,0|2,0,0]=4 3470 B15R1.12 CCSCCOCCc1ccc(cc1)I 7a_100012291149_100000757381 [1,1,0,0,0,0|2,0,0]=4 3471 B15R1.12 CCSCCOCCc1ccc(cc1)N 34a_100011204434_100000757381 [1,1,0,0,0,0|2,0,0]=4 3472 B15R1.12 CCSCCOCCc1ccc(cc1)O 7a_100000212035_100009816426 [1,1,0,0,0,0|2,0,0]=4 3473 B15R1.12 CNCCCOCCc1ccc(cc1)Br 34a_100000213112_100011740612 [1,1,0,0,0,0|2,0,0]=4 3474 B15R1.12 CNCCCOCCc1ccc(cc1)C 34a_100000213112_100011713686 [1,1,0,0,0,0|2,0,0]=4 3475 B15R1.12 CNCCCOCCc1ccc(cc1)Cl 34a_100000213112_100011713675 [1,1,0,0,0,0|2,0,0]=4 3476 B15R1.12 CNCCCOCCc1ccc(cc1)F 34a_100000213112_100011217392 [1,1,0,0,0,0|2,0,0]=4 3477 B15R1.12 COCCCOCCc1ccc(cc1)Br 34a_100000740835_100011740612 [1,1,0,0,0,0|2,0,0]=4 3478 B15R1.12 COCCCOCCc1ccc(cc1)Br 34a_100000766406_100000740836 [1,1,0,0,0,0|2,0,0]=4 3479 B15R1.12 COCCCOCCc1ccc(cc1)Br 7a_100000766406_100000740836 [1,1,0,0,0,0|2,0,0]=4 3480 B15R1.12 COCCCOCCc1ccc(cc1)C 34a_100000740835_100011713686 [1,1,0,0,0,0|2,0,0]=4 3481 B15R1.12 COCCCOCCc1ccc(cc1)C 34a_100000756670_100000740836 [1,1,0,0,0,0|2,0,0]=4 3482 B15R1.12 COCCCOCCc1ccc(cc1)C 7a_100000756670_100000740836 [1,1,0,0,0,0|2,0,0]=4 3483 B15R1.12 COCCCOCCc1ccc(cc1)Cl 34a_100000740835_100011713675 [1,1,0,0,0,0|2,0,0]=4 3484 B15R1.12 COCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000740836 [1,1,0,0,0,0|2,0,0]=4 3485 B15R1.12 COCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000740836 [1,1,0,0,0,0|2,0,0]=4 3486 B15R1.12 COCCCOCCc1ccc(cc1)F 34a_100000740835_100011217392 [1,1,0,0,0,0|2,0,0]=4 3487 B15R1.12 COCCCOCCc1ccc(cc1)F 34a_100000754732_100000740836 [1,1,0,0,0,0|2,0,0]=4 3488 B15R1.12 COCCCOCCc1ccc(cc1)F 7a_100000754732_100000740836 [1,1,0,0,0,0|2,0,0]=4 3489 B15R1.12 COCCCOCCc1ccc(cc1)I 34a_100012291149_100000740836 [1,1,0,0,0,0|2,0,0]=4 3490 B15R1.12 COCCCOCCc1ccc(cc1)I 7a_100012291149_100000740836 [1,1,0,0,0,0|2,0,0]=4 3491 B15R1.12 COCCCOCCc1ccc(cc1)N 34a_100011204434_100000740836 [1,1,0,0,0,0|2,0,0]=4 3492 B15R1.12 CSCCCOCCc1ccc(cc1)Br 34a_100000690336_100011740612 [1,1,0,0,0,0|2,0,0]=4 3493 B15R1.12 CSCCCOCCc1ccc(cc1)Br 7a_100000690336_100011740612 [1,1,0,0,0,0|2,0,0]=4 3494 B15R1.12 CSCCCOCCc1ccc(cc1)C 34a_100000690336_100011713686 [1,1,0,0,0,0|2,0,0]=4 3495 B15R1.12 CSCCCOCCc1ccc(cc1)C 7a_100000690336_100011713686 [1,1,0,0,0,0|2,0,0]=4 3496 B15R1.12 CSCCCOCCc1ccc(cc1)Cl 34a_100000690336_100011713675 [1,1,0,0,0,0|2,0,0]=4 3497 B15R1.12 CSCCCOCCc1ccc(cc1)Cl 7a_100000690336_100011713675 [1,1,0,0,0,0|2,0,0]=4 3498 B15R1.12 CSCCCOCCc1ccc(cc1)F 34a_100000690336_100011217392 [1,1,0,0,0,0|2,0,0]=4 3499 B15R1.12 CSCCCOCCc1ccc(cc1)F 7a_100000690336_100011217392 [1,1,0,0,0,0|2,0,0]=4 3500 B15R1.12 CSCCCOCCc1ccc(cc1)O 7a_100000690336_100009816426 [1,1,0,0,0,0|2,0,0]=4 3501 B15R1.12 Cc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011713686 [1,1,0,0,0,0|2,0,0]=4 3502 B15R1.12 Cc1ccc(cc1)CCOCCCCCl 34a_100000210776_100011713686 [1,1,0,0,0,0|2,0,0]=4 3503 B15R1.12 Cc1ccc(cc1)CCOCCCCCl 7a_100000210776_100011713686 [1,1,0,0,0,0|2,0,0]=4 3504 B15R1.12 Cc1ccc(cc1)CCOCCCCF 34a_100000756670_100000729493 [1,1,0,0,0,0|2,0,0]=4 3505 B15R1.12 Cc1ccc(cc1)CCOCCCCF 34a_100011995726_100011713686 [1,1,0,0,0,0|2,0,0]=4 3506 B15R1.12 Cc1ccc(cc1)CCOCCCCF 7a_100000756670_100000729493 [1,1,0,0,0,0|2,0,0]=4 3507 B15R1.12 Cc1ccc(cc1)CCOCCCCF 7a_100011995726_100011713686 [1,1,0,0,0,0|2,0,0]=4 3508 B15R1.12 Cc1ccc(cc1)CCOCCCCI 34a_200012148704_100011713686 [1,1,0,0,0,0|2,0,0]=4 3509 B15R1.12 Cc1ccc(cc1)CCOCCCCN 34a_100000750430_100011713686 [1,1,0,0,0,0|2,0,0]=4 3510 B15R1.12 Cc1ccc(cc1)CCOCCCCO 34a_100000756670_100011216708 [1,1,0,0,0,0|2,0,0]=4 3511 B15R1.12 Cc1ccc(cc1)CCOCCCCO 7a_100000756670_100000210776 [1,1,0,0,0,0|2,0,0]=4 3512 B15R1.12 ClCCCCOCCc1ccc(cc1)Br 34a_100000210776_100011740612 [1,1,0,0,0,0|2,0,0]=4 3513 B15R1.12 ClCCCCOCCc1ccc(cc1)Br 7a_100000210776_100011740612 [1,1,0,0,0,0|2,0,0]=4 3514 B15R1.12 ClCCCCOCCc1ccc(cc1)Cl 34a_100000210776_100011713675 [1,1,0,0,0,0|2,0,0]=4 3515 B15R1.12 ClCCCCOCCc1ccc(cc1)Cl 7a_100000210776_100011713675 [1,1,0,0,0,0|2,0,0]=4 3516 B15R1.12 Clc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011713675 [1,1,0,0,0,0|2,0,0]=4 3517 B15R1.12 Clc1ccc(cc1)CCOCCCCI 34a_200012148704_100011713675 [1,1,0,0,0,0|2,0,0]=4 3518 B15R1.12 FCCCCOCCc1ccc(cc1)Br 34a_100000766406_100000729493 [1,1,0,0,0,0|2,0,0]=4 3519 B15R1.12 FCCCCOCCc1ccc(cc1)Br 34a_100011995726_100011740612 [1,1,0,0,0,0|2,0,0]=4 3520 B15R1.12 FCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000729493 [1,1,0,0,0,0|2,0,0]=4 3521 B15R1.12 FCCCCOCCc1ccc(cc1)Br 7a_100011995726_100011740612 [1,1,0,0,0,0|2,0,0]=4 3522 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100000729493 [1,1,0,0,0,0|2,0,0]=4 3523 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 34a_100011995726_100011713675 [1,1,0,0,0,0|2,0,0]=4 3524 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000729493 [1,1,0,0,0,0|2,0,0]=4 3525 B15R1.12 FCCCCOCCc1ccc(cc1)Cl 7a_100011995726_100011713675 [1,1,0,0,0,0|2,0,0]=4 3526 B15R1.12 FCCCCOCCc1ccc(cc1)F 34a_100000754732_100000729493 [1,1,0,0,0,0|2,0,0]=4 3527 B15R1.12 FCCCCOCCc1ccc(cc1)F 34a_100011995726_100011217392 [1,1,0,0,0,0|2,0,0]=4 3528 B15R1.12 FCCCCOCCc1ccc(cc1)F 7a_100000754732_100000729493 [1,1,0,0,0,0|2,0,0]=4 3529 B15R1.12 FCCCCOCCc1ccc(cc1)F 7a_100011995726_100011217392 [1,1,0,0,0,0|2,0,0]=4 3530 B15R1.12 FCCCCOCCc1ccc(cc1)I 34a_100012291149_100000729493 [1,1,0,0,0,0|2,0,0]=4 3531 B15R1.12 FCCCCOCCc1ccc(cc1)I 7a_100012291149_100000729493 [1,1,0,0,0,0|2,0,0]=4 3532 B15R1.12 Fc1ccc(cc1)CCCCOCCBr 34a_100000211926_100012093538 [1,1,0,0,0,0|2,0,0]=4 3533 B15R1.12 Fc1ccc(cc1)CCOCCCCBr 34a_100011216708_100011217392 [1,1,0,0,0,0|2,0,0]=4 3534 B15R1.12 Fc1ccc(cc1)CCOCCCCCl 34a_100000210776_100011217392 [1,1,0,0,0,0|2,0,0]=4 3535 B15R1.12 Fc1ccc(cc1)CCOCCCCCl 7a_100000210776_100011217392 [1,1,0,0,0,0|2,0,0]=4 3536 B15R1.12 Fc1ccc(cc1)CCOCCCCI 34a_200012148704_100011217392 [1,1,0,0,0,0|2,0,0]=4 3537 B15R1.12 NCCCCOCCc1ccc(cc1)Br 34a_100000750430_100011740612 [1,1,0,0,0,0|2,0,0]=4 3538 B15R1.12 NCCCCOCCc1ccc(cc1)Cl 34a_100000750430_100011713675 [1,1,0,0,0,0|2,0,0]=4 3539 B15R1.12 NCCCCOCCc1ccc(cc1)F 34a_100000750430_100011217392 [1,1,0,0,0,0|2,0,0]=4 3540 B15R1.12 NCCOCCCCc1ccc(cc1)Br 34a_100000210304_200012094861 [1,1,0,0,0,0|2,0,0]=4 3541 B15R1.12 NCCOCCCCc1ccc(cc1)F 34a_100000210304_100012093538 [1,1,0,0,0,0|2,0,0]=4 3542 B15R1.12 Nc1ccc(cc1)CCOCCCCF 34a_100011204434_100000729493 [1,1,0,0,0,0|2,0,0]=4 3543 B15R1.12 Nc1ccc(cc1)CCOCCCCO 34a_100011204434_100011216708 [1,1,0,0,0,0|2,0,0]=4 3544 B15R1.12 OCCCCOCCc1ccc(cc1)Br 34a_100000766406_100011216708 [1,1,0,0,0,0|2,0,0]=4 3545 B15R1.12 OCCCCOCCc1ccc(cc1)Br 7a_100000766406_100000210776 [1,1,0,0,0,0|2,0,0]=4 3546 B15R1.12 OCCCCOCCc1ccc(cc1)Cl 34a_100011219627_100011216708 [1,1,0,0,0,0|2,0,0]=4 3547 B15R1.12 OCCCCOCCc1ccc(cc1)Cl 7a_100011219627_100000210776 [1,1,0,0,0,0|2,0,0]=4 3548 B15R1.12 OCCCCOCCc1ccc(cc1)F 34a_100000754732_100011216708 [1,1,0,0,0,0|2,0,0]=4 3549 B15R1.12 OCCCCOCCc1ccc(cc1)F 7a_100000754732_100000210776 [1,1,0,0,0,0|2,0,0]=4 3550 B15R1.12 OCCCCOCCc1ccc(cc1)I 34a_100012291149_100011216708 [1,1,0,0,0,0|2,0,0]=4 3551 B15R1.12 OCCCCOCCc1ccc(cc1)I 7a_100012291149_100000210776 [1,1,0,0,0,0|2,0,0]=4 3552 B15R1.12 Oc1ccc(cc1)CCOCCCCCl 7a_100000210776_100009816426 [1,1,0,0,0,0|2,0,0]=4 3553 B15R1.12 Oc1ccc(cc1)CCOCCCCF 7a_100011995726_100009816426 [1,1,0,0,0,0|2,0,0]=4 3554 B15R1.35 BrCCCCCOCCc1ccccc1 34a_100000746331_100000765856 [1,1,0,0,0,0|1,0,0]=3 3555 B15R1.35 BrCCCCCOCCc1ccccc1 7a_100000746331_100000765856 [1,1,0,0,0,0|1,0,0]=3 3556 B15R1.35 BrCCCCCOCCc1ccccn1 7a_100000746331_100015183660 [1,1,0,0,0,0|2,0,0]=4 3557 B15R1.35 BrCCCCCOCCc1cccnc1 7a_100000746331_200011713674 [1,1,0,0,0,0|2,0,0]=4 3558 B15R1.35 BrCCCCCOCCc1ccncc1 7a_100000746331_100000723409 [1,1,0,0,0,0|2,0,0]=4 3559 B15R1.35 BrCCCCOCCCc1ccccc1 34a_100011216708_100000211621 [1,1,0,0,0,0|2,0,0]=4 3560 B15R1.35 BrCCCCOCCOc1ccccc1 34a_100011216708_100000184471 [1,1,0,0,0,0|2,0,0]=4 3561 B15R1.35 BrCCCCOCCSc1ccccc1 34a_100011216708_100000246102 [1,1,0,0,0,0|2,0,0]=4 3562 B15R1.35 BrCCCCOCOCc1ccccc1 34a_100011216708_100000763385 [1,1,0,0,0,0|2,0,0]=4 3563 B15R1.35 BrCCCCOCSCc1ccccc1 34a_100011216708_200011217039 [1,1,0,0,0,0|2,0,0]=4 3564 B15R1.35 BrCCCOCCCCc1ccccc1 34a_100011217188_100000701786 [1,1,0,0,0,0|1,0,0]=3 3565 B15R1.35 BrCCCOCCCOc1ccccc1 34a_100011217188_100000199009 [1,1,0,0,0,0|2,0,0]=4 3566 B15R1.35 BrCCCOCCCSc1ccccc1 34a_100011217188_200011203293 [1,1,0,0,0,0|2,0,0]=4 3567 B15R1.35 BrCCCOCCOCc1ccccc1 34a_100011217188_100000234347 [1,1,0,0,0,0|2,0,0]=4 3568 B15R1.35 BrCCCOCCSCc1ccccc1 34a_100011217188_200011297719 [1,1,0,0,0,0|2,0,0]=4 3569 B15R1.35 BrCCOCCCCCc1ccccc1 34a_100000211926_200011217138 [1,1,0,0,0,0|2,0,0]=4 3570 B15R1.35 BrCCOCCCCOc1ccccc1 34a_100000211926_100011215240 [1,1,0,0,0,0|2,0,0]=4 3571 B15R1.35 BrCCOCCCOCc1ccccc1 34a_100000211926_100011215529 [1,1,0,0,0,0|2,0,0]=4 3572 B15R1.35 BrCCOCCOCCc1ccccc1 34a_100000692535_100000765856 [1,1,0,0,0,0|1,0,0]=3 3573 B15R1.35 BrCCOCCOCCc1ccccc1 7a_100000692535_100000765856 [1,1,0,0,0,0|1,0,0]=3 3574 B15R1.35 BrCCOCCOCCc1ccccn1 7a_100000692535_100015183660 [1,1,0,0,0,0|2,0,0]=4 3575 B15R1.35 BrCCOCCOCCc1cccnc1 7a_100000692535_200011713674 [1,1,0,0,0,0|2,0,0]=4 3576 B15R1.35 BrCCOCCOCCc1ccncc1 7a_100000692535_100000723409 [1,1,0,0,0,0|2,0,0]=4 3577 B15R1.35 C#CCCCCOCCc1ccccc1 34a_100000210268_100010269958 [1,1,0,0,0,0|1,0,1]=4 3578 B15R1.35 C#CCCCCOCCc1ccccc1 34a_100000766709_100000765856 [1,1,0,0,0,0|1,0,1]=4 3579 B15R1.35 C#CCCCCOCCc1ccccc1 7a_100000210268_100010269958 [1,1,0,0,0,0|1,0,1]=4 3580 B15R1.35 C#CCCCCOCCc1ccccc1 7a_100000766709_100000765856 [1,1,0,0,0,0|1,0,1]=4 3581 B15R1.35 C#CCCOCCCCc1ccccc1 34a_100000703073_100000688953 [1,1,0,0,0,0|1,0,1]=4 3582 B15R1.35 C#CCCOCCCCc1ccccc1 34a_100011215631_100000701786 [1,1,0,0,0,0|1,0,1]=4 3583 B15R1.35 C#CCCOCCCCc1ccccc1 7a_100000703073_100000688953 [1,1,0,0,0,0|1,0,1]=4 3584 B15R1.35 C#CCOCCOCCc1ccccc1 34a_100000054580_100000765856 [1,1,0,0,0,0|0,0,2]=4 3585 B15R1.35 C#CCOCCOCCc1ccccc1 34a_100000210268_100010402529 [1,1,0,0,0,0|0,0,2]=4 3586 B15R1.35 C#CCOCCOCCc1ccccc1 7a_100000054580_100000765856 [1,1,0,0,0,0|0,0,2]=4 3587 B15R1.35 C#CCOCCOCCc1ccccc1 7a_100000210268_100010402529 [1,1,0,0,0,0|0,0,2]=4 3588 B15R1.35 C/C=C/COCCCCc1ccccc1 34a_100000703073_100102629194 [1,1,0,0,0,0|1,0,1]=4 3589 B15R1.35 C/C=C/COCCCCc1ccccc1 34a_100016270725_100000701786 [1,1,0,0,0,0|1,0,1]=4 3590 B15R1.35 C/C=C/COCCCCc1ccccc1 7a_100000703073_100102629194 [1,1,0,0,0,0|1,0,1]=4 3591 B15R1.35 C=CCCCCOCCc1ccccc1 34a_100000210268_100011215482 [1,1,0,0,0,0|1,0,1]=4 3592 B15R1.35 C=CCCCCOCCc1ccccc1 34a_100000766645_100000765856 [1,1,0,0,0,0|1,0,1]=4 3593 B15R1.35 C=CCCCCOCCc1ccccc1 7a_100000210268_100011215482 [1,1,0,0,0,0|1,0,1]=4 3594 B15R1.35 C=CCCCCOCCc1ccccc1 7a_100000766645_100000765856 [1,1,0,0,0,0|1,0,1]=4 3595 B15R1.35 C=CCCOCCCCc1ccccc1 34a_100000703073_100000754431 [1,1,0,0,0,0|1,0,1]=4 3596 B15R1.35 C=CCCOCCCCc1ccccc1 34a_100011205117_100000701786 [1,1,0,0,0,0|1,0,1]=4 3597 B15R1.35 C=CCCOCCCCc1ccccc1 7a_100000703073_100000754431 [1,1,0,0,0,0|1,0,1]=4 3598 B15R1.35 C=CCOCCOCCc1ccccc1 34a_100000037705_100000765856 [1,1,0,0,0,0|0,0,2]=4 3599 B15R1.35 C=CCOCCOCCc1ccccc1 7a_100000037705_100000765856 [1,1,0,0,0,0|0,0,2]=4 3600 B15R1.35 CC#CCOCCCCc1ccccc1 34a_100000703073_100000748600 [1,1,0,0,0,0|1,0,1]=4 3601 B15R1.35 CC#CCOCCCCc1ccccc1 34a_100000761923_100000701786 [1,1,0,0,0,0|1,0,1]=4 3602 B15R1.35 CC#CCOCCCCc1ccccc1 7a_100000703073_100000748600 [1,1,0,0,0,0|1,0,1]=4 3603 B15R1.35 CC/C=C\CCOCCc1ccccc1 34a_100000210268_100015370543 [1,1,0,0,0,0|1,0,1]=4 3604 B15R1.35 CC/C=C\CCOCCc1ccccc1 34a_100016288707_100000765856 [1,1,0,0,0,0|1,0,1]=4 3605 B15R1.35 CC/C=C\CCOCCc1ccccc1 7a_100000210268_100015370543 [1,1,0,0,0,0|1,0,1]=4 3606 B15R1.35 CC/C=C\CCOCCc1ccccc1 7a_100016288707_100000765856 [1,1,0,0,0,0|1,0,1]=4 3607 B15R1.35 CC/C=C\COCCCc1ccccc1 34a_100000210828_100103147603 [1,1,0,0,0,0|1,0,1]=4 3608 B15R1.35 CC/C=C\COCCCc1ccccc1 34a_100016268518_100000211621 [1,1,0,0,0,0|1,0,1]=4 3609 B15R1.35 CC/C=C\COCCCc1ccccc1 7a_100000210828_100103147603 [1,1,0,0,0,0|1,0,1]=4 3610 B15R1.35 CC/C=C\COCCNc1ccccc1 34a_100000211345_100103147603 [1,1,0,0,0,0|1,0,1]=4 3611 B15R1.35 CC/C=C\COCCOc1ccccc1 34a_100000210260_100103147603 [1,1,0,0,0,0|1,0,1]=4 3612 B15R1.35 CC/C=C\COCCOc1ccccc1 34a_100016268518_100000184471 [1,1,0,0,0,0|1,0,1]=4 3613 B15R1.35 CC/C=C\COCCOc1ccccc1 7a_100000210260_100103147603 [1,1,0,0,0,0|1,0,1]=4 3614 B15R1.35 CC/C=C\COCCSc1ccccc1 34a_100016268518_100000246102 [1,1,0,0,0,0|1,0,1]=4 3615 B15R1.35 CC/C=C\COCCSc1ccccc1 7a_100000230494_100103147603 [1,1,0,0,0,0|1,0,1]=4 3616 B15R1.35 CC/C=C\COCOCc1ccccc1 34a_100016268518_100000763385 [1,1,0,0,0,0|1,0,1]=4 3617 B15R1.35 CC/C=C\COCSCc1ccccc1 34a_100016268518_200011217039 [1,1,0,0,0,0|1,0,1]=4 3618 B15R1.35 CC=CCCCOCCc1ccccc1 34a_100020645299_100000765856 [1,1,0,0,0,0|1,0,1]=4 3619 B15R1.35 CC=CCOCCCCc1ccccc1 34a_100000703073_100000070051 [1,1,0,0,0,0|1,0,1]=4 3620 B15R1.35 CC=CCOCCCCc1ccccc1 7a_100000703073_100000070051 [1,1,0,0,0,0|1,0,1]=4 3621 B15R1.35 CCC#CCCOCCc1ccccc1 34a_100000036655_100000765856 [1,1,0,0,0,0|1,0,1]=4 3622 B15R1.35 CCC#CCCOCCc1ccccc1 7a_100000036655_100000765856 [1,1,0,0,0,0|1,0,1]=4 3623 B15R1.35 CCC#CCOCCCc1ccccc1 34a_100000032950_100000211621 [1,1,0,0,0,0|1,0,1]=4 3624 B15R1.35 CCC#CCOCCCc1ccccc1 34a_100000210828_100009813939 [1,1,0,0,0,0|1,0,1]=4 3625 B15R1.35 CCC#CCOCCCc1ccccc1 7a_100000210828_100009813939 [1,1,0,0,0,0|1,0,1]=4 3626 B15R1.35 CCC#CCOCCNc1ccccc1 34a_100000211345_100009813939 [1,1,0,0,0,0|1,0,1]=4 3627 B15R1.35 CCC#CCOCCOc1ccccc1 34a_100000032950_100000184471 [1,1,0,0,0,0|1,0,1]=4 3628 B15R1.35 CCC#CCOCCOc1ccccc1 34a_100000210260_100009813939 [1,1,0,0,0,0|1,0,1]=4 3629 B15R1.35 CCC#CCOCCOc1ccccc1 7a_100000210260_100009813939 [1,1,0,0,0,0|1,0,1]=4 3630 B15R1.35 CCC#CCOCCSc1ccccc1 34a_100000032950_100000246102 [1,1,0,0,0,0|1,0,1]=4 3631 B15R1.35 CCC#CCOCCSc1ccccc1 7a_100000230494_100009813939 [1,1,0,0,0,0|1,0,1]=4 3632 B15R1.35 CCC#CCOCOCc1ccccc1 34a_100000032950_100000763385 [1,1,0,0,0,0|1,0,1]=4 3633 B15R1.35 CCC#CCOCSCc1ccccc1 34a_100000032950_200011217039 [1,1,0,0,0,0|1,0,1]=4 3634 B15R1.35 CCC/C=C/COCCc1ccccc1 34a_100016278788_100000765856 [1,1,0,0,0,0|1,0,0]=3 3635 B15R1.35 CCC/C=C/COCCc1ccccc1 7a_100016278788_100000765856 [1,1,0,0,0,0|1,0,0]=3 3636 B15R1.35 CCC/C=C/COCCc1ccccn1 7a_100016278788_100015183660 [1,1,0,0,0,0|2,0,0]=4 3637 B15R1.35 CCC/C=C/COCCc1cccnc1 7a_100016278788_200011713674 [1,1,0,0,0,0|2,0,0]=4 3638 B15R1.35 CCC/C=C/COCCc1ccncc1 7a_100016278788_100000723409 [1,1,0,0,0,0|2,0,0]=4 3639 B15R1.35 CCCC#CCOCCc1ccccc1 34a_100000034806_100000765856 [1,1,0,0,0,0|1,0,0]=3 3640 B15R1.35 CCCC#CCOCCc1ccccc1 7a_100000034806_100000765856 [1,1,0,0,0,0|1,0,0]=3 3641 B15R1.35 CCCC#CCOCCc1ccccn1 7a_100000034806_100015183660 [1,1,0,0,0,0|2,0,0]=4 3642 B15R1.35 CCCC#CCOCCc1cccnc1 7a_100000034806_200011713674 [1,1,0,0,0,0|2,0,0]=4 3643 B15R1.35 CCCC#CCOCCc1ccncc1 7a_100000034806_100000723409 [1,1,0,0,0,0|2,0,0]=4 3644 B15R1.35 CCCCCCCCNc1ccccc1 34a_100000106764_100000210759 [1,1,0,0,0,0|2,0,0]=4 3645 B15R1.35 CCCCCCCCOc1ccccc1 34a_100000210340_100000210759 [1,1,0,0,0,0|2,0,0]=4 3646 B15R1.35 CCCCCCCCOc1ccccc1 7a_100000210340_100000210759 [1,1,0,0,0,0|2,0,0]=4 3647 B15R1.35 CCCCCCCNCc1ccccc1 207a_100000229938_100015611070 [1,1,0,0,0,0|2,0,0]=4 3648 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100000229938_100015291786 [1,1,0,0,0,0|2,0,0]=4 3649 B15R1.35 CCCCCCCNCc1ccccc1 2230a_100015324214_100000210681 [1,1,0,0,0,0|2,0,0]=4 3650 B15R1.35 CCCCCCCNCc1ccccc1 270004a_100000229938_100015611070 [1,1,0,0,0,0|2,0,0]=4 3651 B15R1.35 CCCCCCCNCc1ccccc1 34a_100015324214_100000210614 [1,1,0,0,0,0|2,0,0]=4 3652 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210272_100015291786 [1,1,0,0,0,0|2,0,0]=4 3653 B15R1.35 CCCCCCCOCc1ccccc1 34a_100000210790_100000210614 [1,1,0,0,0,0|2,0,0]=4 3654 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210272_100000211182 [1,1,0,0,0,0|2,0,0]=4 3655 B15R1.35 CCCCCCCOCc1ccccc1 7a_100000210790_100000210614 [1,1,0,0,0,0|2,0,0]=4 3656 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000210614_100015291786 [1,1,0,0,0,0|2,0,0]=4 3657 B15R1.35 CCCCCCCSCc1ccccc1 62a_100000211182_100000210316 [1,1,0,0,0,0|2,0,0]=4 3658 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000106460_100000210314 [1,1,0,0,0,0|2,0,0]=4 3659 B15R1.35 CCCCCCNCCc1ccccc1 2230a_100000210581_100000765856 [1,1,0,0,0,0|2,0,0]=4 3660 B15R1.35 CCCCCCNCCc1ccccc1 34a_100000106460_100000210314 [1,1,0,0,0,0|2,0,0]=4 3661 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210259_100000765856 [1,1,0,0,0,0|1,0,0]=3 3662 B15R1.35 CCCCCCOCCc1ccccc1 34a_100000210268_100000210314 [1,1,0,0,0,0|1,0,0]=3 3663 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210259_100000765856 [1,1,0,0,0,0|1,0,0]=3 3664 B15R1.35 CCCCCCOCCc1ccccc1 7a_100000210268_100000210314 [1,1,0,0,0,0|1,0,0]=3 3665 B15R1.35 CCCCCCOCCc1ccccn1 34a_100000210271_100000210314 [1,1,0,0,0,0|2,0,0]=4 3666 B15R1.35 CCCCCCOCCc1ccccn1 7a_100000210259_100015183660 [1,1,0,0,0,0|2,0,0]=4 3667 B15R1.35 CCCCCCOCCc1cccnc1 34a_100011217484_100000210314 [1,1,0,0,0,0|2,0,0]=4 3668 B15R1.35 CCCCCCOCCc1cccnc1 7a_100000210259_200011713674 [1,1,0,0,0,0|2,0,0]=4 3669 B15R1.35 CCCCCCOCCc1ccncc1 34a_100011216225_100000210314 [1,1,0,0,0,0|2,0,0]=4 3670 B15R1.35 CCCCCCOCCc1ccncc1 7a_100000210259_100000723409 [1,1,0,0,0,0|2,0,0]=4 3671 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000210314_100011218657 [1,1,0,0,0,0|1,1,0]=4 3672 B15R1.35 CCCCCCSCCc1ccccc1 62a_100000765856_100000210757 [1,1,0,0,0,0|1,1,0]=4 3673 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000209983_100000211621 [1,1,0,0,0,0|2,0,0]=4 3674 B15R1.35 CCCCCNCCCc1ccccc1 2230a_100000211184_100000210326 [1,1,0,0,0,0|2,0,0]=4 3675 B15R1.35 CCCCCNCCCc1ccccc1 34a_100000211184_100000718602 [1,1,0,0,0,0|2,0,0]=4 3676 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000174943_100000210326 [1,1,0,0,0,0|2,0,0]=4 3677 B15R1.35 CCCCCNCCOc1ccccc1 2230a_100000209983_100000184471 [1,1,0,0,0,0|2,0,0]=4 3678 B15R1.35 CCCCCNCCOc1ccccc1 270004a_100000209983_100000758736 [1,1,0,0,0,0|2,0,0]=4 3679 B15R1.35 CCCCCNCCOc1ccccc1 34a_100000174943_100000718602 [1,1,0,0,0,0|2,0,0]=4 3680 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000189519_100000210326 [1,1,0,0,0,0|2,0,0]=4 3681 B15R1.35 CCCCCNCCSc1ccccc1 2230a_100000209983_100000246102 [1,1,0,0,0,0|2,0,0]=4 3682 B15R1.35 CCCCCNCOCc1ccccc1 2230a_100000209983_100000763385 [1,1,0,0,0,0|2,0,0]=4 3683 B15R1.35 CCCCCNCSCc1ccccc1 2230a_100000209983_200011217039 [1,1,0,0,0,0|2,0,0]=4 3684 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210253_100016265936 [1,1,0,0,0,0|1,0,1]=4 3685 B15R1.35 CCCCCOC/C=C/c1ccccc1 34a_100000210256_100000718602 [1,1,0,0,0,0|1,0,1]=4 3686 B15R1.35 CCCCCOC/C=C/c1ccccc1 7a_100000210253_100016265936 [1,1,0,0,0,0|1,0,1]=4 3687 B15R1.35 CCCCCOCC#Cc1ccccc1 34a_100000210253_100011352542 [1,1,0,0,0,0|1,0,1]=4 3688 B15R1.35 CCCCCOCC#Cc1ccccc1 34a_100011217464_100000718602 [1,1,0,0,0,0|1,0,1]=4 3689 B15R1.35 CCCCCOCC#Cc1ccccc1 7a_100000210253_100011352542 [1,1,0,0,0,0|1,0,1]=4 3690 B15R1.35 CCCCCOCC#Cc1ccccc1 7a_100011217464_100000210326 [1,1,0,0,0,0|1,0,1]=4 3691 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210253_100000211621 [1,1,0,0,0,0|1,0,0]=3 3692 B15R1.35 CCCCCOCCCc1ccccc1 34a_100000210828_100000718602 [1,1,0,0,0,0|1,0,0]=3 3693 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210253_100000211621 [1,1,0,0,0,0|1,0,0]=3 3694 B15R1.35 CCCCCOCCCc1ccccc1 7a_100000210828_100000210326 [1,1,0,0,0,0|1,0,0]=3 3695 B15R1.35 CCCCCOCCCc1ccccn1 34a_100011215068_100000718602 [1,1,0,0,0,0|2,0,0]=4 3696 B15R1.35 CCCCCOCCCc1cccnc1 34a_100000211284_100000718602 [1,1,0,0,0,0|2,0,0]=4 3697 B15R1.35 CCCCCOCCCc1ccncc1 34a_100000210659_100000718602 [1,1,0,0,0,0|2,0,0]=4 3698 B15R1.35 CCCCCOCCNc1ccccc1 34a_100000211345_100000718602 [1,1,0,0,0,0|1,0,0]=3 3699 B15R1.35 CCCCCOCCNc1ccncc1 34a_200011243140_100000718602 [1,1,0,0,0,0|2,0,0]=4 3700 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210253_100000184471 [1,1,0,0,0,0|1,0,0]=3 3701 B15R1.35 CCCCCOCCOc1ccccc1 34a_100000210260_100000718602 [1,1,0,0,0,0|1,0,0]=3 3702 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210253_100000184471 [1,1,0,0,0,0|1,0,0]=3 3703 B15R1.35 CCCCCOCCOc1ccccc1 7a_100000210260_100000210326 [1,1,0,0,0,0|1,0,0]=3 3704 B15R1.35 CCCCCOCCSc1ccccc1 34a_100000210253_100000246102 [1,1,0,0,0,0|1,0,0]=3 3705 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000210253_100000246102 [1,1,0,0,0,0|1,0,0]=3 3706 B15R1.35 CCCCCOCCSc1ccccc1 7a_100000230494_100000210326 [1,1,0,0,0,0|1,0,0]=3 3707 B15R1.35 CCCCCOCCSc1ccccn1 7a_100000156319_100000210326 [1,1,0,0,0,0|2,0,0]=4 3708 B15R1.35 CCCCCOCOCc1ccccc1 34a_100000210253_100000763385 [1,1,0,0,0,0|1,0,0]=3 3709 B15R1.35 CCCCCOCSCc1ccccc1 34a_100000210253_200011217039 [1,1,0,0,0,0|1,0,0]=3 3710 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000210326_100000211621 [1,1,0,0,0,0|1,1,0]=4 3711 B15R1.35 CCCCCSCCCc1ccccc1 62a_100000211621_100000210326 [1,1,0,0,0,0|1,1,0]=4 3712 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000184471_100000210326 [1,1,0,0,0,0|1,1,0]=4 3713 B15R1.35 CCCCCSCCOc1ccccc1 62a_100000210326_100000184471 [1,1,0,0,0,0|1,1,0]=4 3714 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000210326_100000246102 [1,1,0,0,0,0|1,1,0]=4 3715 B15R1.35 CCCCCSCCSc1ccccc1 62a_100000246102_100000210326 [1,1,0,0,0,0|1,1,0]=4 3716 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000210326_100000763385 [1,1,0,0,0,0|1,1,0]=4 3717 B15R1.35 CCCCCSCOCc1ccccc1 62a_100000763385_100000210326 [1,1,0,0,0,0|1,1,0]=4 3718 B15R1.35 CCCCCSCSCc1ccccc1 62a_100000210326_200011217039 [1,1,0,0,0,0|1,1,0]=4 3719 B15R1.35 CCCCCSCSCc1ccccc1 62a_200011217039_100000210326 [1,1,0,0,0,0|1,1,0]=4 3720 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100000102301_100000701786 [1,1,0,0,0,0|2,0,0]=4 3721 B15R1.35 CCCCNCCCCc1ccccc1 2230a_100015280158_100000210211 [1,1,0,0,0,0|2,0,0]=4 3722 B15R1.35 CCCCNCCCCc1ccccc1 34a_100015280158_100000210210 [1,1,0,0,0,0|2,0,0]=4 3723 B15R1.35 CCCCNCCCCc1ccccc1 7a_106832991798_100000701786 [1,1,0,0,0,0|2,0,0]=4 3724 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000210227_100000701786 [1,1,0,0,0,0|1,0,0]=3 3725 B15R1.35 CCCCOCCCCc1ccccc1 34a_100000703073_100000210210 [1,1,0,0,0,0|1,0,0]=3 3726 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000210227_100000701786 [1,1,0,0,0,0|1,0,0]=3 3727 B15R1.35 CCCCOCCCCc1ccccc1 7a_100000703073_100000210211 [1,1,0,0,0,0|1,0,0]=3 3728 B15R1.35 CCCCOCCCCc1ccccn1 34a_100012186994_100000210210 [1,1,0,0,0,0|2,0,0]=4 3729 B15R1.35 CCCCOCCCCc1cccnc1 34a_100012039607_100000210210 [1,1,0,0,0,0|2,0,0]=4 3730 B15R1.35 CCCCOCCCCc1cccnc1 7a_100012039607_100000210211 [1,1,0,0,0,0|2,0,0]=4 3731 B15R1.35 CCCCOCCCCc1ccncc1 34a_100011787716_100000210210 [1,1,0,0,0,0|2,0,0]=4 3732 B15R1.35 CCCCOCCCCc1ccncc1 7a_100000210227_100020630000 [1,1,0,0,0,0|2,0,0]=4 3733 B15R1.35 CCCCOCCCNc1ccccc1 34a_100000212590_100000210210 [1,1,0,0,0,0|2,0,0]=4 3734 B15R1.35 CCCCOCCCOc1ccccc1 34a_100000210227_100000199009 [1,1,0,0,0,0|2,0,0]=4 3735 B15R1.35 CCCCOCCCOc1ccccc1 34a_100011215863_100000210210 [1,1,0,0,0,0|2,0,0]=4 3736 B15R1.35 CCCCOCCCOc1ccccc1 7a_100000210227_100000199009 [1,1,0,0,0,0|2,0,0]=4 3737 B15R1.35 CCCCOCCCOc1ccccc1 7a_100011215863_100000210211 [1,1,0,0,0,0|2,0,0]=4 3738 B15R1.35 CCCCOCCCSc1ccccc1 34a_100000210227_200011203293 [1,1,0,0,0,0|2,0,0]=4 3739 B15R1.35 CCCCOCCCSc1ccccc1 7a_100000210227_200011203293 [1,1,0,0,0,0|2,0,0]=4 3740 B15R1.35 CCCCOCCNCc1ccccc1 2230a_100015324214_100000743108 [1,1,0,0,0,0|2,0,0]=4 3741 B15R1.35 CCCCOCCNCc1ccccc1 34a_100000180844_100000210210 [1,1,0,0,0,0|2,0,0]=4 3742 B15R1.35 CCCCOCCNCc1ccccc1 34a_100015324214_100000743108 [1,1,0,0,0,0|2,0,0]=4 3743 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210227_100000234347 [1,1,0,0,0,0|2,0,0]=4 3744 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210238_100015291786 [1,1,0,0,0,0|2,0,0]=4 3745 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000210790_100000743108 [1,1,0,0,0,0|2,0,0]=4 3746 B15R1.35 CCCCOCCOCc1ccccc1 34a_100000759325_100000210210 [1,1,0,0,0,0|2,0,0]=4 3747 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210227_100000234347 [1,1,0,0,0,0|2,0,0]=4 3748 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210238_100000211182 [1,1,0,0,0,0|2,0,0]=4 3749 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000210790_100000743108 [1,1,0,0,0,0|2,0,0]=4 3750 B15R1.35 CCCCOCCOCc1ccccc1 7a_100000759325_100000210211 [1,1,0,0,0,0|2,0,0]=4 3751 B15R1.35 CCCCOCCSCc1ccccc1 34a_100000210227_200011297719 [1,1,0,0,0,0|2,0,0]=4 3752 B15R1.35 CCCCOCCSCc1ccccc1 34a_100011205989_100000210210 [1,1,0,0,0,0|2,0,0]=4 3753 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000211182_100000743108 [1,1,0,0,0,0|2,0,0]=4 3754 B15R1.35 CCCCOCCSCc1ccccc1 62a_100000743108_100015291786 [1,1,0,0,0,0|2,0,0]=4 3755 B15R1.35 CCCCOCCSCc1ccccc1 7a_100011205989_100000210211 [1,1,0,0,0,0|2,0,0]=4 3756 B15R1.35 CCCCOCNCCc1ccccc1 2230a_100000106460_100011995733 [1,1,0,0,0,0|1,0,0]=3 3757 B15R1.35 CCCCOCNCCc1ccccc1 34a_100000106460_100011995733 [1,1,0,0,0,0|1,0,0]=3 3758 B15R1.35 CCCCOCNCCc1cccnc1 2230a_100000736294_100011995733 [1,1,0,0,0,0|2,0,0]=4 3759 B15R1.35 CCCCOCOCCc1ccccc1 34a_100000210268_100011995733 [1,1,0,0,0,0|0,0,0]=2 3760 B15R1.35 CCCCOCOCCc1ccccn1 34a_100000210271_100011995733 [1,1,0,0,0,0|1,0,0]=3 3761 B15R1.35 CCCCOCOCCc1cccnc1 34a_100011217484_100011995733 [1,1,0,0,0,0|1,0,0]=3 3762 B15R1.35 CCCCOCOCCc1ccncc1 34a_100011216225_100011995733 [1,1,0,0,0,0|1,0,0]=3 3763 B15R1.35 CCCCOCOCCc1cnccn1 34a_100011349526_100011995733 [1,1,0,0,0,0|2,0,0]=4 3764 B15R1.35 CCCCOCOCCc1cncnc1 34a_100011709255_100011995733 [1,1,0,0,0,0|2,0,0]=4 3765 B15R1.35 CCCCOCSCCc1ccccc1 62a_100000765856_100011995733 [1,1,0,0,0,0|0,1,0]=3 3766 B15R1.35 CCCCOCSCCc1ccccc1 62a_100011995733_100011218657 [1,1,0,0,0,0|0,1,0]=3 3767 B15R1.35 CCCCOCSCCc1ccccn1 62a_100011995733_100015183660 [1,1,0,0,0,0|1,1,0]=4 3768 B15R1.35 CCCCOCSCCc1ccccn1 62a_100015183660_100011995733 [1,1,0,0,0,0|1,1,0]=4 3769 B15R1.35 CCCCOCSCCc1cccnc1 62a_100011995733_200011713674 [1,1,0,0,0,0|1,1,0]=4 3770 B15R1.35 CCCCOCSCCc1cccnc1 62a_200011713674_100011995733 [1,1,0,0,0,0|1,1,0]=4 3771 B15R1.35 CCCCOCSCCc1ccncc1 62a_100000723409_100011995733 [1,1,0,0,0,0|1,1,0]=4 3772 B15R1.35 CCCCOCSCCc1ccncc1 62a_100011995733_100000723409 [1,1,0,0,0,0|1,1,0]=4 3773 B15R1.35 CCCCOCSCSc1ccccc1 62a_100011218342_100011995733 [1,1,0,0,0,0|1,1,0]=4 3774 B15R1.35 CCCCOCSCSc1ccccc1 62a_100011995733_100011218342 [1,1,0,0,0,0|1,1,0]=4 3775 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000210211_100000701786 [1,1,0,0,0,0|1,1,0]=4 3776 B15R1.35 CCCCSCCCCc1ccccc1 62a_100000701786_100000210210 [1,1,0,0,0,0|1,1,0]=4 3777 B15R1.35 CCCNCCCCCc1ccccc1 2230a_100000750932_100000210303 [1,1,0,0,0,0|2,0,0]=4 3778 B15R1.35 CCCNCCCCCc1ccccc1 34a_100000750932_100000210303 [1,1,0,0,0,0|2,0,0]=4 3779 B15R1.35 CCCNCCCOCc1ccccc1 2230a_200000206031_100000210303 [1,1,0,0,0,0|2,0,0]=4 3780 B15R1.35 CCCNCCCOCc1ccccc1 34a_200000206031_100000210303 [1,1,0,0,0,0|2,0,0]=4 3781 B15R1.35 CCCOCCCC#Cc1ccccc1 34a_100011217234_100000210303 [1,1,0,0,0,0|1,0,1]=4 3782 B15R1.35 CCCOCCCC#Cc1ccccc1 7a_100011217234_100000210303 [1,1,0,0,0,0|1,0,1]=4 3783 B15R1.35 CCCOCCCCCc1ccccc1 34a_100000210258_200011217138 [1,1,0,0,0,0|1,0,0]=3 3784 B15R1.35 CCCOCCCCCc1ccccc1 34a_200011219639_100000210303 [1,1,0,0,0,0|1,0,0]=3 3785 B15R1.35 CCCOCCCCCc1ccccc1 7a_200011219639_100000210303 [1,1,0,0,0,0|1,0,0]=3 3786 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000210258_100011215240 [1,1,0,0,0,0|1,0,0]=3 3787 B15R1.35 CCCOCCCCOc1ccccc1 34a_100000752354_100000210303 [1,1,0,0,0,0|1,0,0]=3 3788 B15R1.35 CCCOCCCCOc1ccccc1 7a_100000752354_100000210303 [1,1,0,0,0,0|1,0,0]=3 3789 B15R1.35 CCCOCCCNCc1ccccc1 207a_100011217757_100015611070 [1,1,0,0,0,0|1,0,0]=3 3790 B15R1.35 CCCOCCCNCc1ccccc1 2230a_100011217757_100015291786 [1,1,0,0,0,0|1,0,0]=3 3791 B15R1.35 CCCOCCCNCc1ccccc1 270004a_100011217757_100015611070 [1,1,0,0,0,0|1,0,0]=3 3792 B15R1.35 CCCOCCCNCc1ccccc1 34a_100000185501_100000210303 [1,1,0,0,0,0|1,0,0]=3 3793 B15R1.35 CCCOCCCNCc1ccccc1 34a_100011217757_100015291786 [1,1,0,0,0,0|1,0,0]=3 3794 B15R1.35 CCCOCCCNCc1ccccn1 207a_100011217757_100000209966 [1,1,0,0,0,0|2,0,0]=4 3795 B15R1.35 CCCOCCCNCc1ccccn1 2230a_100011217757_100000721315 [1,1,0,0,0,0|2,0,0]=4 3796 B15R1.35 CCCOCCCNCc1ccccn1 270004a_100011217757_100000209966 [1,1,0,0,0,0|2,0,0]=4 3797 B15R1.35 CCCOCCCNCc1ccccn1 34a_100011217757_100000721315 [1,1,0,0,0,0|2,0,0]=4 3798 B15R1.35 CCCOCCCNCc1cccnc1 207a_100011217757_100000209961 [1,1,0,0,0,0|2,0,0]=4 3799 B15R1.35 CCCOCCCNCc1cccnc1 2230a_100011217757_100000741622 [1,1,0,0,0,0|2,0,0]=4 3800 B15R1.35 CCCOCCCNCc1cccnc1 270004a_100011217757_100000209961 [1,1,0,0,0,0|2,0,0]=4 3801 B15R1.35 CCCOCCCNCc1cccnc1 34a_100011217757_100000733263 [1,1,0,0,0,0|2,0,0]=4 3802 B15R1.35 CCCOCCCNCc1ccncc1 207a_100011217757_100000186114 [1,1,0,0,0,0|2,0,0]=4 3803 B15R1.35 CCCOCCCNCc1ccncc1 2230a_100011217757_100015193705 [1,1,0,0,0,0|2,0,0]=4 3804 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000210258_100011215529 [1,1,0,0,0,0|1,0,0]=3 3805 B15R1.35 CCCOCCCOCc1ccccc1 34a_100000691849_100000210303 [1,1,0,0,0,0|1,0,0]=3 3806 B15R1.35 CCCOCCCOCc1ccccc1 7a_100000691849_100000210303 [1,1,0,0,0,0|1,0,0]=3 3807 B15R1.35 CCCOCCNCCc1ccccc1 2230a_100000106460_100011215938 [1,1,0,0,0,0|1,0,0]=3 3808 B15R1.35 CCCOCCNCCc1ccccc1 2230a_100161115042_100000765856 [1,1,0,0,0,0|1,0,0]=3 3809 B15R1.35 CCCOCCNCCc1ccccc1 34a_100000106460_100011215938 [1,1,0,0,0,0|1,0,0]=3 3810 B15R1.35 CCCOCCNCCc1ccccc1 34a_100161115042_100000765856 [1,1,0,0,0,0|1,0,0]=3 3811 B15R1.35 CCCOCCNCCc1ccccn1 2230a_100161115042_100015183660 [1,1,0,0,0,0|2,0,0]=4 3812 B15R1.35 CCCOCCNCCc1cccnc1 2230a_100000736294_100011215938 [1,1,0,0,0,0|2,0,0]=4 3813 B15R1.35 CCCOCCNCCc1cccnc1 2230a_100161115042_200011713674 [1,1,0,0,0,0|2,0,0]=4 3814 B15R1.35 CCCOCCNCCc1ccncc1 2230a_100161115042_100000723409 [1,1,0,0,0,0|2,0,0]=4 3815 B15R1.35 CCCOCCNCSc1ccccc1 2230a_100161115042_100011218342 [1,1,0,0,0,0|2,0,0]=4 3816 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000210268_100011215938 [1,1,0,0,0,0|0,0,0]=2 3817 B15R1.35 CCCOCCOCCc1ccccc1 34a_100000752267_100000765856 [1,1,0,0,0,0|0,0,0]=2 3818 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000210268_100011215938 [1,1,0,0,0,0|0,0,0]=2 3819 B15R1.35 CCCOCCOCCc1ccccc1 7a_100000752267_100000765856 [1,1,0,0,0,0|0,0,0]=2 3820 B15R1.35 CCCOCCOCCc1ccccn1 34a_100000210271_100011215938 [1,1,0,0,0,0|1,0,0]=3 3821 B15R1.35 CCCOCCOCCc1ccccn1 7a_100000752267_100015183660 [1,1,0,0,0,0|1,0,0]=3 3822 B15R1.35 CCCOCCOCCc1cccnc1 34a_100011217484_100011215938 [1,1,0,0,0,0|1,0,0]=3 3823 B15R1.35 CCCOCCOCCc1cccnc1 7a_100000752267_200011713674 [1,1,0,0,0,0|1,0,0]=3 3824 B15R1.35 CCCOCCOCCc1ccncc1 34a_100011216225_100011215938 [1,1,0,0,0,0|1,0,0]=3 3825 B15R1.35 CCCOCCOCCc1ccncc1 7a_100000752267_100000723409 [1,1,0,0,0,0|1,0,0]=3 3826 B15R1.35 CCCOCCOCCc1cnccn1 34a_100011349526_100011215938 [1,1,0,0,0,0|2,0,0]=4 3827 B15R1.35 CCCOCCOCCc1cncnc1 34a_100011709255_100011215938 [1,1,0,0,0,0|2,0,0]=4 3828 B15R1.35 CCCOCCSCCc1ccccc1 62a_100000765856_100011215938 [1,1,0,0,0,0|0,1,0]=3 3829 B15R1.35 CCCOCCSCCc1ccccc1 62a_100011215938_100011218657 [1,1,0,0,0,0|0,1,0]=3 3830 B15R1.35 CCCOCCSCCc1ccccn1 34a_100011362645_100000210303 [1,1,0,0,0,0|1,1,0]=4 3831 B15R1.35 CCCOCCSCCc1ccccn1 62a_100011215938_100015183660 [1,1,0,0,0,0|1,1,0]=4 3832 B15R1.35 CCCOCCSCCc1ccccn1 62a_100015183660_100011215938 [1,1,0,0,0,0|1,1,0]=4 3833 B15R1.35 CCCOCCSCCc1ccccn1 7a_100011362645_100000210303 [1,1,0,0,0,0|1,1,0]=4 3834 B15R1.35 CCCOCCSCCc1cccnc1 62a_100011215938_200011713674 [1,1,0,0,0,0|1,1,0]=4 3835 B15R1.35 CCCOCCSCCc1cccnc1 62a_200011713674_100011215938 [1,1,0,0,0,0|1,1,0]=4 3836 B15R1.35 CCCOCCSCCc1ccncc1 34a_200011193335_100000210303 [1,1,0,0,0,0|1,1,0]=4 3837 B15R1.35 CCCOCCSCCc1ccncc1 62a_100000723409_100011215938 [1,1,0,0,0,0|1,1,0]=4 3838 B15R1.35 CCCOCCSCCc1ccncc1 62a_100011215938_100000723409 [1,1,0,0,0,0|1,1,0]=4 3839 B15R1.35 CCCOCCSCCc1ccncc1 7a_200011193335_100000210303 [1,1,0,0,0,0|1,1,0]=4 3840 B15R1.35 CCCOCCSCSc1ccccc1 62a_100011215938_100011218342 [1,1,0,0,0,0|1,1,0]=4 3841 B15R1.35 CCCOCCSCSc1ccccc1 62a_100011218342_100011215938 [1,1,0,0,0,0|1,1,0]=4 3842 B15R1.35 CCCSCCCCCc1ccccc1 62a_100000210303_200011217138 [1,1,0,0,0,0|1,1,0]=4 3843 B15R1.35 CCCSCCCCCc1ccccc1 62a_200011217138_100000210303 [1,1,0,0,0,0|1,1,0]=4 3844 B15R1.35 CCCSCCCCOc1ccccc1 62a_100000210303_100011215240 [1,1,0,0,0,0|1,1,0]=4 3845 B15R1.35 CCCSCCCCOc1ccccc1 62a_100011215240_100000210303 [1,1,0,0,0,0|1,1,0]=4 3846 B15R1.35 CCCSCCCOCc1ccccc1 62a_100000210303_100011215529 [1,1,0,0,0,0|1,1,0]=4 3847 B15R1.35 CCCSCCCOCc1ccccc1 62a_100011215529_100000210303 [1,1,0,0,0,0|1,1,0]=4 3848 B15R1.35 CCCSCCNCCc1ccccc1 2230a_100020603323_100000765856 [1,1,0,0,0,0|1,1,0]=4 3849 B15R1.35 CCCSCCOCCc1ccccc1 34a_200000230433_100000765856 [1,1,0,0,0,0|0,1,0]=3 3850 B15R1.35 CCCSCCOCCc1ccccc1 7a_200000230433_100000765856 [1,1,0,0,0,0|0,1,0]=3 3851 B15R1.35 CCCSCCOCCc1ccccn1 7a_200000230433_100015183660 [1,1,0,0,0,0|1,1,0]=4 3852 B15R1.35 CCCSCCOCCc1cccnc1 7a_200000230433_200011713674 [1,1,0,0,0,0|1,1,0]=4 3853 B15R1.35 CCCSCCOCCc1ccncc1 7a_200000230433_100000723409 [1,1,0,0,0,0|1,1,0]=4 3854 B15R1.35 CCNCCCCCCc1ccccc1 2230a_100015525214_100011218729 [1,1,0,0,0,0|2,0,0]=4 3855 B15R1.35 CCOCCCCCCc1ccccc1 34a_100011215581_100000210202 [1,1,0,0,0,0|2,0,0]=4 3856 B15R1.35 CCOCCCCCCc1ccccc1 34a_100121572206_100011218729 [1,1,0,0,0,0|2,0,0]=4 3857 B15R1.35 CCOCCCCCCc1ccccc1 7a_100011215581_100000210202 [1,1,0,0,0,0|2,0,0]=4 3858 B15R1.35 CCOCCCNCCc1ccccc1 2230a_100000106460_100012232248 [1,1,0,0,0,0|2,0,0]=4 3859 B15R1.35 CCOCCCNCCc1ccccc1 2230a_100000210961_100000765856 [1,1,0,0,0,0|2,0,0]=4 3860 B15R1.35 CCOCCCNCCc1ccccc1 34a_100000106460_100012232248 [1,1,0,0,0,0|2,0,0]=4 3861 B15R1.35 CCOCCCNCCc1ccccc1 34a_100000210961_100000765856 [1,1,0,0,0,0|2,0,0]=4 3862 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000210268_100012232248 [1,1,0,0,0,0|1,0,0]=3 3863 B15R1.35 CCOCCCOCCc1ccccc1 34a_100000757476_100000765856 [1,1,0,0,0,0|1,0,0]=3 3864 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000210268_100012232248 [1,1,0,0,0,0|1,0,0]=3 3865 B15R1.35 CCOCCCOCCc1ccccc1 7a_100000757476_100000765856 [1,1,0,0,0,0|1,0,0]=3 3866 B15R1.35 CCOCCCOCCc1ccccn1 34a_100000210271_100012232248 [1,1,0,0,0,0|2,0,0]=4 3867 B15R1.35 CCOCCCOCCc1ccccn1 7a_100000757476_100015183660 [1,1,0,0,0,0|2,0,0]=4 3868 B15R1.35 CCOCCCOCCc1cccnc1 34a_100011217484_100012232248 [1,1,0,0,0,0|2,0,0]=4 3869 B15R1.35 CCOCCCOCCc1cccnc1 7a_100000757476_200011713674 [1,1,0,0,0,0|2,0,0]=4 3870 B15R1.35 CCOCCCOCCc1ccncc1 34a_100011216225_100012232248 [1,1,0,0,0,0|2,0,0]=4 3871 B15R1.35 CCOCCCOCCc1ccncc1 7a_100000757476_100000723409 [1,1,0,0,0,0|2,0,0]=4 3872 B15R1.35 CCOCCCSCCc1ccccc1 62a_100000765856_100012232248 [1,1,0,0,0,0|1,1,0]=4 3873 B15R1.35 CCOCCCSCCc1ccccc1 62a_100012232248_100011218657 [1,1,0,0,0,0|1,1,0]=4 3874 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210136_100000211621 [1,1,0,0,0,0|2,0,0]=4 3875 B15R1.35 CCOCCOCCCc1ccccc1 34a_100000210828_100000210147 [1,1,0,0,0,0|2,0,0]=4 3876 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210136_100000211621 [1,1,0,0,0,0|2,0,0]=4 3877 B15R1.35 CCOCCOCCCc1ccccc1 7a_100000210828_100011215890 [1,1,0,0,0,0|2,0,0]=4 3878 B15R1.35 CCOCCOCCNc1ccccc1 34a_100000106764_100011211534 [1,1,0,0,0,0|2,0,0]=4 3879 B15R1.35 CCOCCOCCNc1ccccc1 34a_100000211345_100000210147 [1,1,0,0,0,0|2,0,0]=4 3880 B15R1.35 CCOCCOCCOc1ccccc1 34a_100000210136_100000184471 [1,1,0,0,0,0|2,0,0]=4 3881 B15R1.35 CCOCCOCCOc1ccccc1 34a_100000210260_100000210147 [1,1,0,0,0,0|2,0,0]=4 3882 B15R1.35 CCOCCOCCOc1ccccc1 34a_100000210340_100011211534 [1,1,0,0,0,0|2,0,0]=4 3883 B15R1.35 CCOCCOCCOc1ccccc1 34a_100000756377_100000210202 [1,1,0,0,0,0|2,0,0]=4 3884 B15R1.35 CCOCCOCCOc1ccccc1 7a_100000210136_100000184471 [1,1,0,0,0,0|2,0,0]=4 3885 B15R1.35 CCOCCOCCOc1ccccc1 7a_100000210260_100011215890 [1,1,0,0,0,0|2,0,0]=4 3886 B15R1.35 CCOCCOCCOc1ccccc1 7a_100000210340_100011211534 [1,1,0,0,0,0|2,0,0]=4 3887 B15R1.35 CCOCCOCCOc1ccccc1 7a_100000756377_100000210202 [1,1,0,0,0,0|2,0,0]=4 3888 B15R1.35 CCOCCOCCSc1ccccc1 34a_100000210136_100000246102 [1,1,0,0,0,0|2,0,0]=4 3889 B15R1.35 CCOCCOCCSc1ccccc1 62a_100000719477_100011211534 [1,1,0,0,0,0|2,0,0]=4 3890 B15R1.35 CCOCCOCCSc1ccccc1 62a_100011211534_100000041952 [1,1,0,0,0,0|2,0,0]=4 3891 B15R1.35 CCOCCOCCSc1ccccc1 7a_100000210136_100000246102 [1,1,0,0,0,0|2,0,0]=4 3892 B15R1.35 CCOCCOCCSc1ccccc1 7a_100000230494_100011215890 [1,1,0,0,0,0|2,0,0]=4 3893 B15R1.35 CCOCCOCOCc1ccccc1 34a_100000210136_100000763385 [1,1,0,0,0,0|2,0,0]=4 3894 B15R1.35 CCOCCOCSCc1ccccc1 34a_100000210136_200011217039 [1,1,0,0,0,0|2,0,0]=4 3895 B15R1.35 CCOCSCCCCc1ccccc1 62a_100000701786_100000739092 [1,1,0,0,0,0|1,1,0]=4 3896 B15R1.35 CCOCSCCCCc1ccccc1 62a_100000739092_100000701786 [1,1,0,0,0,0|1,1,0]=4 3897 B15R1.35 CCSCCCCCCc1ccccc1 62a_100000210202_100011218729 [1,1,0,0,0,0|2,0,0]=4 3898 B15R1.35 CCSCCCCCCc1ccccc1 62a_100011218729_100000210202 [1,1,0,0,0,0|2,0,0]=4 3899 B15R1.35 CCSCCCOCCc1ccccc1 34a_100011216438_100000765856 [1,1,0,0,0,0|1,0,0]=3 3900 B15R1.35 CCSCCCOCCc1ccccc1 7a_100011216438_100000765856 [1,1,0,0,0,0|1,0,0]=3 3901 B15R1.35 CCSCCCOCCc1ccccn1 7a_100011216438_100015183660 [1,1,0,0,0,0|2,0,0]=4 3902 B15R1.35 CCSCCCOCCc1cccnc1 7a_100011216438_200011713674 [1,1,0,0,0,0|2,0,0]=4 3903 B15R1.35 CCSCCCOCCc1ccncc1 7a_100011216438_100000723409 [1,1,0,0,0,0|2,0,0]=4 3904 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000210828_100000757381 [1,1,0,0,0,0|2,0,0]=4 3905 B15R1.35 CCSCCOCCCc1ccccc1 34a_100000212035_100000211621 [1,1,0,0,0,0|2,0,0]=4 3906 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000210828_100000757381 [1,1,0,0,0,0|2,0,0]=4 3907 B15R1.35 CCSCCOCCCc1ccccc1 7a_100000212035_100000211621 [1,1,0,0,0,0|2,0,0]=4 3908 B15R1.35 CCSCCOCCNc1ccccc1 34a_100000211345_100000757381 [1,1,0,0,0,0|2,0,0]=4 3909 B15R1.35 CCSCCOCCOc1ccccc1 34a_100000210260_100000757381 [1,1,0,0,0,0|2,0,0]=4 3910 B15R1.35 CCSCCOCCOc1ccccc1 34a_100000212035_100000184471 [1,1,0,0,0,0|2,0,0]=4 3911 B15R1.35 CCSCCOCCOc1ccccc1 7a_100000210260_100000757381 [1,1,0,0,0,0|2,0,0]=4 3912 B15R1.35 CCSCCOCCOc1ccccc1 7a_100000212035_100000184471 [1,1,0,0,0,0|2,0,0]=4 3913 B15R1.35 CCSCCOCCSc1ccccc1 34a_100000212035_100000246102 [1,1,0,0,0,0|2,0,0]=4 3914 B15R1.35 CCSCCOCCSc1ccccc1 7a_100000212035_100000246102 [1,1,0,0,0,0|2,0,0]=4 3915 B15R1.35 CCSCCOCCSc1ccccc1 7a_100000230494_100000757381 [1,1,0,0,0,0|2,0,0]=4 3916 B15R1.35 CCSCCOCOCc1ccccc1 34a_100000212035_100000763385 [1,1,0,0,0,0|2,0,0]=4 3917 B15R1.35 CCSCCOCSCc1ccccc1 34a_100000212035_200011217039 [1,1,0,0,0,0|2,0,0]=4 3918 B15R1.35 CNCCCCCCCc1ccccc1 2230a_106832991635_200009813472 [1,1,0,0,0,0|2,0,0]=4 3919 B15R1.35 CNCCCCCCCc1ccccc1 34a_100102657272_200009813472 [1,1,0,0,0,0|2,0,0]=4 3920 B15R1.35 CNCCCCCCCc1ccccc1 7a_106832991635_200009813472 [1,1,0,0,0,0|2,0,0]=4 3921 B15R1.35 CNCCCOCCCc1ccccc1 34a_100000213112_100000211621 [1,1,0,0,0,0|2,0,0]=4 3922 B15R1.35 CNCCCOCCOc1ccccc1 34a_100000213112_100000184471 [1,1,0,0,0,0|2,0,0]=4 3923 B15R1.35 CNCCCOCCSc1ccccc1 34a_100000213112_100000246102 [1,1,0,0,0,0|2,0,0]=4 3924 B15R1.35 CNCCCOCOCc1ccccc1 34a_100000213112_100000763385 [1,1,0,0,0,0|2,0,0]=4 3925 B15R1.35 CNCCCOCSCc1ccccc1 34a_100000213112_200011217039 [1,1,0,0,0,0|2,0,0]=4 3926 B15R1.35 CNCCOCCOCc1ccccc1 2230a_100012282123_200000210301 [1,1,0,0,0,0|2,0,0]=4 3927 B15R1.35 CNCCOCCOCc1ccccc1 2230a_106832991635_100010883073 [1,1,0,0,0,0|2,0,0]=4 3928 B15R1.35 CNCCOCCOCc1ccccc1 34a_100000228057_100015291786 [1,1,0,0,0,0|2,0,0]=4 3929 B15R1.35 CNCCOCCOCc1ccccc1 34a_100012282123_200000210301 [1,1,0,0,0,0|2,0,0]=4 3930 B15R1.35 CNCCOCCOCc1ccccc1 34a_100102657272_100010883073 [1,1,0,0,0,0|2,0,0]=4 3931 B15R1.35 CNCCOCCOCc1ccccc1 7a_106832991635_100010883073 [1,1,0,0,0,0|2,0,0]=4 3932 B15R1.35 COCCCCCCCc1ccccc1 34a_100000042756_200000210301 [1,1,0,0,0,0|2,0,0]=4 3933 B15R1.35 COCCCCCCCc1ccccc1 34a_100138415774_200009813472 [1,1,0,0,0,0|2,0,0]=4 3934 B15R1.35 COCCCCCCCc1ccccc1 7a_100000042756_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B15R1.35 COCCCCNCCc1ccccc1 2230a_100000106460_100000730899 [1,1,0,0,0,0|2,0,0]=4 3936 B15R1.35 COCCCCNCCc1ccccc1 34a_100000106460_100000755781 [1,1,0,0,0,0|2,0,0]=4 3937 B15R1.35 COCCCCOCCc1ccccc1 34a_100000210268_100000755781 [1,1,0,0,0,0|1,0,0]=3 3938 B15R1.35 COCCCCOCCc1ccccc1 34a_100000740925_100000765856 [1,1,0,0,0,0|1,0,0]=3 3939 B15R1.35 COCCCCOCCc1ccccc1 7a_100000210268_100000730899 [1,1,0,0,0,0|1,0,0]=3 3940 B15R1.35 COCCCCOCCc1ccccn1 34a_100000210271_100000755781 [1,1,0,0,0,0|2,0,0]=4 3941 B15R1.35 COCCCCOCCc1cccnc1 34a_100011217484_100000755781 [1,1,0,0,0,0|2,0,0]=4 3942 B15R1.35 COCCCCOCCc1ccncc1 34a_100011216225_100000755781 [1,1,0,0,0,0|2,0,0]=4 3943 B15R1.35 COCCCCSCCc1ccccc1 62a_100000730899_100011218657 [1,1,0,0,0,0|1,1,0]=4 3944 B15R1.35 COCCCCSCCc1ccccc1 62a_100000765856_100000730899 [1,1,0,0,0,0|1,1,0]=4 3945 B15R1.35 COCCCOCCCc1ccccc1 34a_100000210828_100000740836 [1,1,0,0,0,0|2,0,0]=4 3946 B15R1.35 COCCCOCCCc1ccccc1 34a_100000740835_100000211621 [1,1,0,0,0,0|2,0,0]=4 3947 B15R1.35 COCCCOCCCc1ccccc1 7a_100000210828_100000740836 [1,1,0,0,0,0|2,0,0]=4 3948 B15R1.35 COCCCOCCNc1ccccc1 34a_100000211345_100000740836 [1,1,0,0,0,0|2,0,0]=4 3949 B15R1.35 COCCCOCCOc1ccccc1 34a_100000210260_100000740836 [1,1,0,0,0,0|2,0,0]=4 3950 B15R1.35 COCCCOCCOc1ccccc1 34a_100000740835_100000184471 [1,1,0,0,0,0|2,0,0]=4 3951 B15R1.35 COCCCOCCOc1ccccc1 7a_100000210260_100000740836 [1,1,0,0,0,0|2,0,0]=4 3952 B15R1.35 COCCCOCCSc1ccccc1 34a_100000740835_100000246102 [1,1,0,0,0,0|2,0,0]=4 3953 B15R1.35 COCCCOCCSc1ccccc1 7a_100000230494_100000740836 [1,1,0,0,0,0|2,0,0]=4 3954 B15R1.35 COCCCOCOCc1ccccc1 34a_100000740835_100000763385 [1,1,0,0,0,0|2,0,0]=4 3955 B15R1.35 COCCCOCSCc1ccccc1 34a_100000740835_200011217039 [1,1,0,0,0,0|2,0,0]=4 3956 B15R1.35 COCCNCCCCc1ccccc1 2230a_100000209980_100000701786 [1,1,0,0,0,0|2,0,0]=4 3957 B15R1.35 COCCNCCCCc1ccccc1 2230a_100015280158_100011201679 [1,1,0,0,0,0|2,0,0]=4 3958 B15R1.35 COCCNCCCCc1ccccc1 34a_100015280158_100011201679 [1,1,0,0,0,0|2,0,0]=4 3959 B15R1.35 COCCOCCCCc1ccccc1 34a_100000210237_100000701786 [1,1,0,0,0,0|1,0,0]=3 3960 B15R1.35 COCCOCCCCc1ccccc1 34a_100000703073_100011201679 [1,1,0,0,0,0|1,0,0]=3 3961 B15R1.35 COCCOCCCCc1ccccc1 7a_100000703073_100000233755 [1,1,0,0,0,0|1,0,0]=3 3962 B15R1.35 COCCOCCCCc1ccccn1 34a_100012186994_100011201679 [1,1,0,0,0,0|2,0,0]=4 3963 B15R1.35 COCCOCCCCc1cccnc1 34a_100012039607_100011201679 [1,1,0,0,0,0|2,0,0]=4 3964 B15R1.35 COCCOCCCCc1cccnc1 7a_100012039607_100000233755 [1,1,0,0,0,0|2,0,0]=4 3965 B15R1.35 COCCOCCCCc1ccncc1 34a_100011787716_100011201679 [1,1,0,0,0,0|2,0,0]=4 3966 B15R1.35 COCCOCCCNc1ccccc1 34a_100000106764_100011216529 [1,1,0,0,0,0|2,0,0]=4 3967 B15R1.35 COCCOCCCNc1ccccc1 34a_100000212590_100011201679 [1,1,0,0,0,0|2,0,0]=4 3968 B15R1.35 COCCOCCCOc1ccccc1 34a_100000210237_100000199009 [1,1,0,0,0,0|2,0,0]=4 3969 B15R1.35 COCCOCCCOc1ccccc1 34a_100000210340_100011216529 [1,1,0,0,0,0|2,0,0]=4 3970 B15R1.35 COCCOCCCOc1ccccc1 34a_100011215863_100011201679 [1,1,0,0,0,0|2,0,0]=4 3971 B15R1.35 COCCOCCCOc1ccccc1 7a_100000210340_100011216529 [1,1,0,0,0,0|2,0,0]=4 3972 B15R1.35 COCCOCCCOc1ccccc1 7a_100011215863_100000233755 [1,1,0,0,0,0|2,0,0]=4 3973 B15R1.35 COCCOCCCSc1ccccc1 34a_100000210237_200011203293 [1,1,0,0,0,0|2,0,0]=4 3974 B15R1.35 COCCOCCCSc1ccccc1 62a_100000719477_100011216529 [1,1,0,0,0,0|2,0,0]=4 3975 B15R1.35 COCCOCCCSc1ccccc1 62a_100011216529_100000041952 [1,1,0,0,0,0|2,0,0]=4 3976 B15R1.35 COCCOCCNCc1ccccc1 207a_100000745349_100015611070 [1,1,0,0,0,0|2,0,0]=4 3977 B15R1.35 COCCOCCNCc1ccccc1 2230a_100000745349_100015291786 [1,1,0,0,0,0|2,0,0]=4 3978 B15R1.35 COCCOCCNCc1ccccc1 2230a_100015324214_100000695917 [1,1,0,0,0,0|2,0,0]=4 3979 B15R1.35 COCCOCCNCc1ccccc1 270004a_100000745349_100015611070 [1,1,0,0,0,0|2,0,0]=4 3980 B15R1.35 COCCOCCNCc1ccccc1 34a_100000180844_100011201679 [1,1,0,0,0,0|2,0,0]=4 3981 B15R1.35 COCCOCCNCc1ccccc1 34a_100000745349_100015291786 [1,1,0,0,0,0|2,0,0]=4 3982 B15R1.35 COCCOCCNCc1ccccc1 34a_100015324214_100000695917 [1,1,0,0,0,0|2,0,0]=4 3983 B15R1.35 COCCOCCOCc1ccccc1 34a_100000037723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3984 B15R1.35 COCCOCCOCc1ccccc1 34a_100000210237_100000234347 [1,1,0,0,0,0|2,0,0]=4 3985 B15R1.35 COCCOCCOCc1ccccc1 34a_100000210790_100000695917 [1,1,0,0,0,0|2,0,0]=4 3986 B15R1.35 COCCOCCOCc1ccccc1 34a_100000759325_100011201679 [1,1,0,0,0,0|2,0,0]=4 3987 B15R1.35 COCCOCCOCc1ccccc1 34a_100011215163_100015291786 [1,1,0,0,0,0|2,0,0]=4 3988 B15R1.35 COCCOCCOCc1ccccc1 34a_100138415774_100010883073 [1,1,0,0,0,0|2,0,0]=4 3989 B15R1.35 COCCOCCOCc1ccccc1 7a_100000037723_200000210301 [1,1,0,0,0,0|2,0,0]=4 3990 B15R1.35 COCCOCCOCc1ccccc1 7a_100000210790_100000695917 [1,1,0,0,0,0|2,0,0]=4 3991 B15R1.35 COCCOCCOCc1ccccc1 7a_100000759325_100000233755 [1,1,0,0,0,0|2,0,0]=4 3992 B15R1.35 COCCOCCOCc1ccccc1 7a_100011215163_100000211182 [1,1,0,0,0,0|2,0,0]=4 3993 B15R1.35 COCCOCCSCc1ccccc1 34a_100000210237_200011297719 [1,1,0,0,0,0|2,0,0]=4 3994 B15R1.35 COCCOCCSCc1ccccc1 34a_100011205989_100011201679 [1,1,0,0,0,0|2,0,0]=4 3995 B15R1.35 COCCOCCSCc1ccccc1 62a_100000211182_100000695917 [1,1,0,0,0,0|2,0,0]=4 3996 B15R1.35 COCCOCCSCc1ccccc1 62a_100000695917_100015291786 [1,1,0,0,0,0|2,0,0]=4 3997 B15R1.35 COCCOCCSCc1ccccc1 7a_100011205989_100000233755 [1,1,0,0,0,0|2,0,0]=4 3998 B15R1.35 COCCOCNCCc1ccccc1 2230a_100000106460_100000231047 [1,1,0,0,0,0|1,0,0]=3 3999 B15R1.35 COCCOCNCCc1cccnc1 2230a_100000736294_100000231047 [1,1,0,0,0,0|2,0,0]=4 4000 B15R1.35 COCCOCSCCc1ccccc1 62a_100000231047_100011218657 [1,1,0,0,0,0|0,1,0]=3 4001 B15R1.35 COCCOCSCCc1ccccc1 62a_100000765856_100000231047 [1,1,0,0,0,0|0,1,0]=3 4002 B15R1.35 COCCOCSCCc1ccccn1 62a_100000231047_100015183660 [1,1,0,0,0,0|1,1,0]=4 4003 B15R1.35 COCCOCSCCc1ccccn1 62a_100015183660_100000231047 [1,1,0,0,0,0|1,1,0]=4 4004 B15R1.35 COCCOCSCCc1cccnc1 62a_100000231047_200011713674 [1,1,0,0,0,0|1,1,0]=4 4005 B15R1.35 COCCOCSCCc1cccnc1 62a_200011713674_100000231047 [1,1,0,0,0,0|1,1,0]=4 4006 B15R1.35 COCCOCSCCc1ccncc1 62a_100000231047_100000723409 [1,1,0,0,0,0|1,1,0]=4 4007 B15R1.35 COCCOCSCCc1ccncc1 62a_100000723409_100000231047 [1,1,0,0,0,0|1,1,0]=4 4008 B15R1.35 COCCOCSCSc1ccccc1 62a_100000231047_100011218342 [1,1,0,0,0,0|1,1,0]=4 4009 B15R1.35 COCCOCSCSc1ccccc1 62a_100011218342_100000231047 [1,1,0,0,0,0|1,1,0]=4 4010 B15R1.35 COCCSCCCCc1ccccc1 62a_100000233755_100000701786 [1,1,0,0,0,0|1,1,0]=4 4011 B15R1.35 COCCSCCCCc1ccccc1 62a_100000701786_100000233755 [1,1,0,0,0,0|1,1,0]=4 4012 B15R1.35 CSCCCCCCCc1ccccc1 62a_200000210301_200009813472 [1,1,0,0,0,0|2,0,0]=4 4013 B15R1.35 CSCCCCOCCc1ccccc1 34a_100011217163_100000765856 [1,1,0,0,0,0|1,0,0]=3 4014 B15R1.35 CSCCCCOCCc1ccccc1 7a_100011217163_100000765856 [1,1,0,0,0,0|1,0,0]=3 4015 B15R1.35 CSCCCCOCCc1ccccn1 7a_100011217163_100015183660 [1,1,0,0,0,0|2,0,0]=4 4016 B15R1.35 CSCCCCOCCc1cccnc1 7a_100011217163_200011713674 [1,1,0,0,0,0|2,0,0]=4 4017 B15R1.35 CSCCCCOCCc1ccncc1 7a_100011217163_100000723409 [1,1,0,0,0,0|2,0,0]=4 4018 B15R1.35 CSCCCOCCCc1ccccc1 34a_100000690336_100000211621 [1,1,0,0,0,0|2,0,0]=4 4019 B15R1.35 CSCCCOCCCc1ccccc1 7a_100000690336_100000211621 [1,1,0,0,0,0|2,0,0]=4 4020 B15R1.35 CSCCCOCCOc1ccccc1 34a_100000690336_100000184471 [1,1,0,0,0,0|2,0,0]=4 4021 B15R1.35 CSCCCOCCOc1ccccc1 7a_100000690336_100000184471 [1,1,0,0,0,0|2,0,0]=4 4022 B15R1.35 CSCCCOCCSc1ccccc1 34a_100000690336_100000246102 [1,1,0,0,0,0|2,0,0]=4 4023 B15R1.35 CSCCCOCCSc1ccccc1 7a_100000690336_100000246102 [1,1,0,0,0,0|2,0,0]=4 4024 B15R1.35 CSCCCOCOCc1ccccc1 34a_100000690336_100000763385 [1,1,0,0,0,0|2,0,0]=4 4025 B15R1.35 CSCCCOCSCc1ccccc1 34a_100000690336_200011217039 [1,1,0,0,0,0|2,0,0]=4 4026 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100015280158_100000751147 [1,1,0,0,0,0|2,0,0]=4 4027 B15R1.35 CSCCNCCCCc1ccccc1 2230a_100020590264_100000701786 [1,1,0,0,0,0|2,0,0]=4 4028 B15R1.35 CSCCNCCCCc1ccccc1 34a_100015280158_100000212216 [1,1,0,0,0,0|2,0,0]=4 4029 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000230434_100000701786 [1,1,0,0,0,0|1,0,0]=3 4030 B15R1.35 CSCCOCCCCc1ccccc1 34a_100000703073_100000212216 [1,1,0,0,0,0|1,0,0]=3 4031 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000230434_100000701786 [1,1,0,0,0,0|1,0,0]=3 4032 B15R1.35 CSCCOCCCCc1ccccc1 7a_100000703073_100000212216 [1,1,0,0,0,0|1,0,0]=3 4033 B15R1.35 CSCCOCCCCc1ccccn1 34a_100012186994_100000212216 [1,1,0,0,0,0|2,0,0]=4 4034 B15R1.35 CSCCOCCCCc1cccnc1 34a_100012039607_100000212216 [1,1,0,0,0,0|2,0,0]=4 4035 B15R1.35 CSCCOCCCCc1cccnc1 7a_100012039607_100000212216 [1,1,0,0,0,0|2,0,0]=4 4036 B15R1.35 CSCCOCCCCc1ccncc1 34a_100011787716_100000212216 [1,1,0,0,0,0|2,0,0]=4 4037 B15R1.35 CSCCOCCCCc1ccncc1 7a_100000230434_100020630000 [1,1,0,0,0,0|2,0,0]=4 4038 B15R1.35 CSCCOCCCNc1ccccc1 34a_100000212590_100000212216 [1,1,0,0,0,0|2,0,0]=4 4039 B15R1.35 CSCCOCCCOc1ccccc1 34a_100000230434_100000199009 [1,1,0,0,0,0|2,0,0]=4 4040 B15R1.35 CSCCOCCCOc1ccccc1 34a_100011215863_100000212216 [1,1,0,0,0,0|2,0,0]=4 4041 B15R1.35 CSCCOCCCOc1ccccc1 7a_100000230434_100000199009 [1,1,0,0,0,0|2,0,0]=4 4042 B15R1.35 CSCCOCCCOc1ccccc1 7a_100011215863_100000212216 [1,1,0,0,0,0|2,0,0]=4 4043 B15R1.35 CSCCOCCCSc1ccccc1 34a_100000230434_200011203293 [1,1,0,0,0,0|2,0,0]=4 4044 B15R1.35 CSCCOCCCSc1ccccc1 7a_100000230434_200011203293 [1,1,0,0,0,0|2,0,0]=4 4045 B15R1.35 CSCCOCCNCc1ccccc1 34a_100000180844_100000212216 [1,1,0,0,0,0|2,0,0]=4 4046 B15R1.35 CSCCOCCOCc1ccccc1 34a_100000230434_100000234347 [1,1,0,0,0,0|2,0,0]=4 4047 B15R1.35 CSCCOCCOCc1ccccc1 34a_100000759325_100000212216 [1,1,0,0,0,0|2,0,0]=4 4048 B15R1.35 CSCCOCCOCc1ccccc1 62a_100010883073_200000210301 [1,1,0,0,0,0|2,0,0]=4 4049 B15R1.35 CSCCOCCOCc1ccccc1 62a_200000210301_100010883073 [1,1,0,0,0,0|2,0,0]=4 4050 B15R1.35 CSCCOCCOCc1ccccc1 7a_100000230434_100000234347 [1,1,0,0,0,0|2,0,0]=4 4051 B15R1.35 CSCCOCCOCc1ccccc1 7a_100000759325_100000212216 [1,1,0,0,0,0|2,0,0]=4 4052 B15R1.35 CSCCOCCSCc1ccccc1 34a_100000230434_200011297719 [1,1,0,0,0,0|2,0,0]=4 4053 B15R1.35 CSCCOCCSCc1ccccc1 34a_100011205989_100000212216 [1,1,0,0,0,0|2,0,0]=4 4054 B15R1.35 CSCCOCCSCc1ccccc1 7a_100011205989_100000212216 [1,1,0,0,0,0|2,0,0]=4 4055 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000212216_100000701786 [1,1,0,0,0,0|1,1,0]=4 4056 B15R1.35 CSCCSCCCCc1ccccc1 62a_100000701786_100000751147 [1,1,0,0,0,0|1,1,0]=4 4057 B15R1.35 CSCOCCCCCc1ccccc1 34a_200011219639_100011218213 [1,1,0,0,0,0|2,0,0]=4 4058 B15R1.35 CSCOCCCCOc1ccccc1 34a_100000752354_100011218213 [1,1,0,0,0,0|2,0,0]=4 4059 B15R1.35 CSCOCCCNCc1ccccc1 34a_100000185501_100011218213 [1,1,0,0,0,0|2,0,0]=4 4060 B15R1.35 CSCOCCCOCc1ccccc1 34a_100000691849_100011218213 [1,1,0,0,0,0|2,0,0]=4 4061 B15R1.35 ClCCCCCOCCc1ccccc1 34a_100000746330_100000765856 [1,1,0,0,0,0|1,0,0]=3 4062 B15R1.35 ClCCCCCOCCc1ccccc1 7a_100000746330_100000765856 [1,1,0,0,0,0|1,0,0]=3 4063 B15R1.35 ClCCCCCOCCc1ccccn1 7a_100000746330_100015183660 [1,1,0,0,0,0|2,0,0]=4 4064 B15R1.35 ClCCCCCOCCc1cccnc1 7a_100000746330_200011713674 [1,1,0,0,0,0|2,0,0]=4 4065 B15R1.35 ClCCCCCOCCc1ccncc1 7a_100000746330_100000723409 [1,1,0,0,0,0|2,0,0]=4 4066 B15R1.35 ClCCCCOCCCc1ccccc1 34a_100000210776_100000211621 [1,1,0,0,0,0|2,0,0]=4 4067 B15R1.35 ClCCCCOCCCc1ccccc1 7a_100000210776_100000211621 [1,1,0,0,0,0|2,0,0]=4 4068 B15R1.35 ClCCCCOCCOc1ccccc1 34a_100000210776_100000184471 [1,1,0,0,0,0|2,0,0]=4 4069 B15R1.35 ClCCCCOCCOc1ccccc1 7a_100000210776_100000184471 [1,1,0,0,0,0|2,0,0]=4 4070 B15R1.35 ClCCCCOCCSc1ccccc1 34a_100000210776_100000246102 [1,1,0,0,0,0|2,0,0]=4 4071 B15R1.35 ClCCCCOCCSc1ccccc1 7a_100000210776_100000246102 [1,1,0,0,0,0|2,0,0]=4 4072 B15R1.35 ClCCCCOCOCc1ccccc1 34a_100000210776_100000763385 [1,1,0,0,0,0|2,0,0]=4 4073 B15R1.35 ClCCCCOCSCc1ccccc1 34a_100000210776_200011217039 [1,1,0,0,0,0|2,0,0]=4 4074 B15R1.35 ClCCCOCCCCc1ccccc1 34a_100000230001_100000701786 [1,1,0,0,0,0|1,0,0]=3 4075 B15R1.35 ClCCCOCCCOc1ccccc1 34a_100000230001_100000199009 [1,1,0,0,0,0|2,0,0]=4 4076 B15R1.35 ClCCCOCCCSc1ccccc1 34a_100000230001_200011203293 [1,1,0,0,0,0|2,0,0]=4 4077 B15R1.35 ClCCCOCCOCc1ccccc1 34a_100000230001_100000234347 [1,1,0,0,0,0|2,0,0]=4 4078 B15R1.35 ClCCCOCCSCc1ccccc1 34a_100000230001_200011297719 [1,1,0,0,0,0|2,0,0]=4 4079 B15R1.35 ClCCOCCOCCc1ccccc1 34a_100011215305_100000765856 [1,1,0,0,0,0|1,0,0]=3 4080 B15R1.35 ClCCOCCOCCc1ccccc1 7a_100011215305_100000765856 [1,1,0,0,0,0|1,0,0]=3 4081 B15R1.35 ClCCOCCOCCc1ccccn1 7a_100011215305_100015183660 [1,1,0,0,0,0|2,0,0]=4 4082 B15R1.35 ClCCOCCOCCc1cccnc1 7a_100011215305_200011713674 [1,1,0,0,0,0|2,0,0]=4 4083 B15R1.35 ClCCOCCOCCc1ccncc1 7a_100011215305_100000723409 [1,1,0,0,0,0|2,0,0]=4 4084 B15R1.35 FCCCCCNCCc1ccccc1 2230a_100000106460_100000729378 [1,1,0,0,0,0|2,0,0]=4 4085 B15R1.35 FCCCCCNCCc1ccccc1 34a_100000106460_100000729378 [1,1,0,0,0,0|2,0,0]=4 4086 B15R1.35 FCCCCCOCCc1ccccc1 34a_100000210268_100000729378 [1,1,0,0,0,0|1,0,0]=3 4087 B15R1.35 FCCCCCOCCc1ccccc1 7a_100000210268_100000729378 [1,1,0,0,0,0|1,0,0]=3 4088 B15R1.35 FCCCCCOCCc1ccccn1 34a_100000210271_100000729378 [1,1,0,0,0,0|2,0,0]=4 4089 B15R1.35 FCCCCCOCCc1cccnc1 34a_100011217484_100000729378 [1,1,0,0,0,0|2,0,0]=4 4090 B15R1.35 FCCCCCOCCc1ccncc1 34a_100011216225_100000729378 [1,1,0,0,0,0|2,0,0]=4 4091 B15R1.35 FCCCCCSCCc1ccccc1 62a_100000729378_100011218657 [1,1,0,0,0,0|1,1,0]=4 4092 B15R1.35 FCCCCCSCCc1ccccc1 62a_100000765856_100000729378 [1,1,0,0,0,0|1,1,0]=4 4093 B15R1.35 FCCCCOCCCc1ccccc1 34a_100000210828_100000729493 [1,1,0,0,0,0|2,0,0]=4 4094 B15R1.35 FCCCCOCCCc1ccccc1 34a_100011995726_100000211621 [1,1,0,0,0,0|2,0,0]=4 4095 B15R1.35 FCCCCOCCCc1ccccc1 7a_100000210828_100000729493 [1,1,0,0,0,0|2,0,0]=4 4096 B15R1.35 FCCCCOCCCc1ccccc1 7a_100011995726_100000211621 [1,1,0,0,0,0|2,0,0]=4 4097 B15R1.35 FCCCCOCCNc1ccccc1 34a_100000211345_100000729493 [1,1,0,0,0,0|2,0,0]=4 4098 B15R1.35 FCCCCOCCOc1ccccc1 34a_100000210260_100000729493 [1,1,0,0,0,0|2,0,0]=4 4099 B15R1.35 FCCCCOCCOc1ccccc1 34a_100011995726_100000184471 [1,1,0,0,0,0|2,0,0]=4 4100 B15R1.35 FCCCCOCCOc1ccccc1 7a_100000210260_100000729493 [1,1,0,0,0,0|2,0,0]=4 4101 B15R1.35 FCCCCOCCOc1ccccc1 7a_100011995726_100000184471 [1,1,0,0,0,0|2,0,0]=4 4102 B15R1.35 FCCCCOCCSc1ccccc1 34a_100011995726_100000246102 [1,1,0,0,0,0|2,0,0]=4 4103 B15R1.35 FCCCCOCCSc1ccccc1 7a_100000230494_100000729493 [1,1,0,0,0,0|2,0,0]=4 4104 B15R1.35 FCCCCOCCSc1ccccc1 7a_100011995726_100000246102 [1,1,0,0,0,0|2,0,0]=4 4105 B15R1.35 FCCCCOCOCc1ccccc1 34a_100011995726_100000763385 [1,1,0,0,0,0|2,0,0]=4 4106 B15R1.35 FCCCCOCSCc1ccccc1 34a_100011995726_200011217039 [1,1,0,0,0,0|2,0,0]=4 4107 B15R1.35 FCCCNCCCCc1ccccc1 2230a_100015189416_100000701786 [1,1,0,0,0,0|2,0,0]=4 4108 B15R1.35 FCCCNCCCCc1ccccc1 2230a_100015280158_100011934791 [1,1,0,0,0,0|2,0,0]=4 4109 B15R1.35 FCCCNCCCCc1ccccc1 34a_100015189416_100000701786 [1,1,0,0,0,0|2,0,0]=4 4110 B15R1.35 FCCCNCCCCc1ccccc1 34a_100015280158_100011934791 [1,1,0,0,0,0|2,0,0]=4 4111 B15R1.35 FCCCOCCCCc1ccccc1 34a_100000703073_100011934791 [1,1,0,0,0,0|1,0,0]=3 4112 B15R1.35 FCCCOCCCCc1ccccc1 34a_100000759539_100000701786 [1,1,0,0,0,0|1,0,0]=3 4113 B15R1.35 FCCCOCCCCc1ccccc1 7a_100000703073_100011934791 [1,1,0,0,0,0|1,0,0]=3 4114 B15R1.35 FCCCOCCCCc1ccccn1 34a_100012186994_100011934791 [1,1,0,0,0,0|2,0,0]=4 4115 B15R1.35 FCCCOCCCCc1cccnc1 34a_100012039607_100011934791 [1,1,0,0,0,0|2,0,0]=4 4116 B15R1.35 FCCCOCCCCc1cccnc1 7a_100012039607_100011934791 [1,1,0,0,0,0|2,0,0]=4 4117 B15R1.35 FCCCOCCCCc1ccncc1 34a_100011787716_100011934791 [1,1,0,0,0,0|2,0,0]=4 4118 B15R1.35 FCCCOCCCNc1ccccc1 34a_100000212590_100011934791 [1,1,0,0,0,0|2,0,0]=4 4119 B15R1.35 FCCCOCCCOc1ccccc1 34a_100000759539_100000199009 [1,1,0,0,0,0|2,0,0]=4 4120 B15R1.35 FCCCOCCCOc1ccccc1 34a_100011215863_100011934791 [1,1,0,0,0,0|2,0,0]=4 4121 B15R1.35 FCCCOCCCOc1ccccc1 7a_100011215863_100011934791 [1,1,0,0,0,0|2,0,0]=4 4122 B15R1.35 FCCCOCCCSc1ccccc1 34a_100000759539_200011203293 [1,1,0,0,0,0|2,0,0]=4 4123 B15R1.35 FCCCOCCNCc1ccccc1 34a_100000180844_100011934791 [1,1,0,0,0,0|2,0,0]=4 4124 B15R1.35 FCCCOCCOCc1ccccc1 34a_100000759325_100011934791 [1,1,0,0,0,0|2,0,0]=4 4125 B15R1.35 FCCCOCCOCc1ccccc1 34a_100000759539_100000234347 [1,1,0,0,0,0|2,0,0]=4 4126 B15R1.35 FCCCOCCOCc1ccccc1 7a_100000759325_100011934791 [1,1,0,0,0,0|2,0,0]=4 4127 B15R1.35 FCCCOCCSCc1ccccc1 34a_100000759539_200011297719 [1,1,0,0,0,0|2,0,0]=4 4128 B15R1.35 FCCCOCCSCc1ccccc1 34a_100011205989_100011934791 [1,1,0,0,0,0|2,0,0]=4 4129 B15R1.35 FCCCOCCSCc1ccccc1 7a_100011205989_100011934791 [1,1,0,0,0,0|2,0,0]=4 4130 B15R1.35 FCCCSCCCCc1ccccc1 62a_100000701786_100011934791 [1,1,0,0,0,0|1,1,0]=4 4131 B15R1.35 FCCCSCCCCc1ccccc1 62a_100011934791_100000701786 [1,1,0,0,0,0|1,1,0]=4 4132 B15R1.35 FCCOCCCCCc1ccccc1 34a_200011219639_100011217306 [1,1,0,0,0,0|2,0,0]=4 4133 B15R1.35 FCCOCCCCCc1ccccc1 7a_200011219639_100011217306 [1,1,0,0,0,0|2,0,0]=4 4134 B15R1.35 FCCOCCCCOc1ccccc1 34a_100000752354_100011217306 [1,1,0,0,0,0|2,0,0]=4 4135 B15R1.35 FCCOCCCCOc1ccccc1 7a_100000752354_100011217306 [1,1,0,0,0,0|2,0,0]=4 4136 B15R1.35 FCCOCCCNCc1ccccc1 34a_100000185501_100011217306 [1,1,0,0,0,0|2,0,0]=4 4137 B15R1.35 FCCOCCCOCc1ccccc1 34a_100000691849_100011217306 [1,1,0,0,0,0|2,0,0]=4 4138 B15R1.35 FCCOCCCOCc1ccccc1 7a_100000691849_100011217306 [1,1,0,0,0,0|2,0,0]=4 4139 B15R1.35 FCCOCCOCCc1ccccc1 34a_200015357709_100000765856 [1,1,0,0,0,0|1,0,0]=3 4140 B15R1.35 FCCOCCOCCc1ccccc1 7a_200015357709_100000765856 [1,1,0,0,0,0|1,0,0]=3 4141 B15R1.35 FCCOCCOCCc1ccccn1 7a_200015357709_100015183660 [1,1,0,0,0,0|2,0,0]=4 4142 B15R1.35 FCCOCCOCCc1cccnc1 7a_200015357709_200011713674 [1,1,0,0,0,0|2,0,0]=4 4143 B15R1.35 FCCOCCOCCc1ccncc1 7a_200015357709_100000723409 [1,1,0,0,0,0|2,0,0]=4 4144 B15R1.35 ICCCCCOCCc1ccccc1 34a_200012148887_100000765856 [1,1,0,0,0,0|1,0,0]=3 4145 B15R1.35 ICCCCCOCCc1ccccc1 7a_200012148887_100000765856 [1,1,0,0,0,0|1,0,0]=3 4146 B15R1.35 ICCCCCOCCc1ccccn1 7a_200012148887_100015183660 [1,1,0,0,0,0|2,0,0]=4 4147 B15R1.35 ICCCCCOCCc1cccnc1 7a_200012148887_200011713674 [1,1,0,0,0,0|2,0,0]=4 4148 B15R1.35 ICCCCCOCCc1ccncc1 7a_200012148887_100000723409 [1,1,0,0,0,0|2,0,0]=4 4149 B15R1.35 ICCCCOCCCc1ccccc1 34a_200012148704_100000211621 [1,1,0,0,0,0|2,0,0]=4 4150 B15R1.35 ICCCCOCCOc1ccccc1 34a_200012148704_100000184471 [1,1,0,0,0,0|2,0,0]=4 4151 B15R1.35 ICCCCOCCSc1ccccc1 34a_200012148704_100000246102 [1,1,0,0,0,0|2,0,0]=4 4152 B15R1.35 ICCCCOCOCc1ccccc1 34a_200012148704_100000763385 [1,1,0,0,0,0|2,0,0]=4 4153 B15R1.35 ICCCCOCSCc1ccccc1 34a_200012148704_200011217039 [1,1,0,0,0,0|2,0,0]=4 4154 B15R1.35 ICCOCCOCCc1ccccc1 34a_100012149058_100000765856 [1,1,0,0,0,0|1,0,0]=3 4155 B15R1.35 ICCOCCOCCc1ccccc1 7a_100012149058_100000765856 [1,1,0,0,0,0|1,0,0]=3 4156 B15R1.35 ICCOCCOCCc1ccccn1 7a_100012149058_100015183660 [1,1,0,0,0,0|2,0,0]=4 4157 B15R1.35 ICCOCCOCCc1cccnc1 7a_100012149058_200011713674 [1,1,0,0,0,0|2,0,0]=4 4158 B15R1.35 ICCOCCOCCc1ccncc1 7a_100012149058_100000723409 [1,1,0,0,0,0|2,0,0]=4 4159 B15R1.35 N#CCCCCOCCc1ccccc1 7a_100000210268_100000211819 [1,1,0,0,0,0|1,0,1]=4 4160 B15R1.35 N#CCCOCCCCc1ccccc1 7a_100000703073_100000184422 [1,1,0,0,0,0|1,0,1]=4 4161 B15R1.35 N#CCOCCOCCc1ccccc1 7a_100000210268_200000047693 [1,1,0,0,0,0|1,0,1]=4 4162 B15R1.35 NCCCCCOCCc1ccccc1 34a_100000762737_100000765856 [1,1,0,0,0,0|1,0,0]=3 4163 B15R1.35 NCCCCOCCCc1ccccc1 34a_100000750430_100000211621 [1,1,0,0,0,0|2,0,0]=4 4164 B15R1.35 NCCCCOCCOc1ccccc1 34a_100000750430_100000184471 [1,1,0,0,0,0|2,0,0]=4 4165 B15R1.35 NCCCCOCCSc1ccccc1 34a_100000750430_100000246102 [1,1,0,0,0,0|2,0,0]=4 4166 B15R1.35 NCCCCOCOCc1ccccc1 34a_100000750430_100000763385 [1,1,0,0,0,0|2,0,0]=4 4167 B15R1.35 NCCCCOCSCc1ccccc1 34a_100000750430_200011217039 [1,1,0,0,0,0|2,0,0]=4 4168 B15R1.35 NCCCOCCCCc1ccccc1 34a_100000182051_100000701786 [1,1,0,0,0,0|1,0,0]=3 4169 B15R1.35 NCCCOCCCOc1ccccc1 34a_100000182051_100000199009 [1,1,0,0,0,0|2,0,0]=4 4170 B15R1.35 NCCCOCCCSc1ccccc1 34a_100000182051_200011203293 [1,1,0,0,0,0|2,0,0]=4 4171 B15R1.35 NCCCOCCOCc1ccccc1 34a_100000182051_100000234347 [1,1,0,0,0,0|2,0,0]=4 4172 B15R1.35 NCCCOCCSCc1ccccc1 34a_100000182051_200011297719 [1,1,0,0,0,0|2,0,0]=4 4173 B15R1.35 NCCOCCCCCc1ccccc1 34a_100000210304_200011217138 [1,1,0,0,0,0|2,0,0]=4 4174 B15R1.35 NCCOCCCCOc1ccccc1 34a_100000210304_100011215240 [1,1,0,0,0,0|2,0,0]=4 4175 B15R1.35 NCCOCCCOCc1ccccc1 34a_100000210304_100011215529 [1,1,0,0,0,0|2,0,0]=4 4176 B15R1.35 NCCOCCOCCc1ccccc1 34a_100000211614_100000765856 [1,1,0,0,0,0|1,0,0]=3 4177 B15R1.35 NOCCOCCCCc1ccccc1 34a_100000700252_100000701786 [1,1,0,0,0,0|2,0,0]=4 4178 B15R1.35 O=CCCCCOCCc1ccccc1 7a_100000210268_100000139335 [1,1,0,0,0,0|1,0,1]=4 4179 B15R1.35 OCCCCCNCCc1ccccc1 2230a_100000106460_100000746330 [1,1,0,0,0,0|2,0,0]=4 4180 B15R1.35 OCCCCCNCCc1ccccc1 2230a_100000762737_100000765856 [1,1,0,0,0,0|2,0,0]=4 4181 B15R1.35 OCCCCCNCCc1ccccc1 34a_100000106460_100000746330 [1,1,0,0,0,0|2,0,0]=4 4182 B15R1.35 OCCCCCNCCc1ccccc1 34a_100000762737_100000765856 [1,1,0,0,0,0|2,0,0]=4 4183 B15R1.35 OCCCCCOCCc1ccccc1 34a_100000210268_100000746330 [1,1,0,0,0,0|1,0,0]=3 4184 B15R1.35 OCCCCCOCCc1ccccc1 7a_100000210268_100000746330 [1,1,0,0,0,0|1,0,0]=3 4185 B15R1.35 OCCCCCOCCc1ccccn1 34a_100000210271_100000746330 [1,1,0,0,0,0|2,0,0]=4 4186 B15R1.35 OCCCCCOCCc1cccnc1 34a_100011217484_100000746330 [1,1,0,0,0,0|2,0,0]=4 4187 B15R1.35 OCCCCCOCCc1ccncc1 34a_100011216225_100000746330 [1,1,0,0,0,0|2,0,0]=4 4188 B15R1.35 OCCCCCSCCc1ccccc1 62a_100000746330_100011218657 [1,1,0,0,0,0|1,1,0]=4 4189 B15R1.35 OCCCCCSCCc1ccccc1 62a_100000765856_100000746330 [1,1,0,0,0,0|1,1,0]=4 4190 B15R1.35 OCCCCOCCCc1ccccc1 34a_100000210828_100011216708 [1,1,0,0,0,0|2,0,0]=4 4191 B15R1.35 OCCCCOCCCc1ccccc1 7a_100000210828_100000210776 [1,1,0,0,0,0|2,0,0]=4 4192 B15R1.35 OCCCCOCCNc1ccccc1 34a_100000211345_100011216708 [1,1,0,0,0,0|2,0,0]=4 4193 B15R1.35 OCCCCOCCOc1ccccc1 34a_100000210260_100011216708 [1,1,0,0,0,0|2,0,0]=4 4194 B15R1.35 OCCCCOCCOc1ccccc1 7a_100000210260_100000210776 [1,1,0,0,0,0|2,0,0]=4 4195 B15R1.35 OCCCCOCCSc1ccccc1 7a_100000230494_100000210776 [1,1,0,0,0,0|2,0,0]=4 4196 B15R1.35 OCCCNCCCCc1ccccc1 2230a_100015280158_100000230001 [1,1,0,0,0,0|2,0,0]=4 4197 B15R1.35 OCCCNCCCCc1ccccc1 34a_100015280158_100000230001 [1,1,0,0,0,0|2,0,0]=4 4198 B15R1.35 OCCCOCCCCc1ccccc1 34a_100000703073_100000230001 [1,1,0,0,0,0|1,0,0]=3 4199 B15R1.35 OCCCOCCCCc1ccccc1 7a_100000703073_100011215043 [1,1,0,0,0,0|1,0,0]=3 4200 B15R1.35 OCCCOCCCCc1ccccn1 34a_100012186994_100000230001 [1,1,0,0,0,0|2,0,0]=4 4201 B15R1.35 OCCCOCCCCc1cccnc1 34a_100012039607_100000230001 [1,1,0,0,0,0|2,0,0]=4 4202 B15R1.35 OCCCOCCCCc1cccnc1 7a_100012039607_100011215043 [1,1,0,0,0,0|2,0,0]=4 4203 B15R1.35 OCCCOCCCCc1ccncc1 34a_100011787716_100000230001 [1,1,0,0,0,0|2,0,0]=4 4204 B15R1.35 OCCCOCCCNc1ccccc1 34a_100000212590_100000230001 [1,1,0,0,0,0|2,0,0]=4 4205 B15R1.35 OCCCOCCCOc1ccccc1 34a_100011215863_100000230001 [1,1,0,0,0,0|2,0,0]=4 4206 B15R1.35 OCCCOCCCOc1ccccc1 7a_100011215863_100011215043 [1,1,0,0,0,0|2,0,0]=4 4207 B15R1.35 OCCCOCCNCc1ccccc1 34a_100000180844_100000230001 [1,1,0,0,0,0|2,0,0]=4 4208 B15R1.35 OCCCOCCOCc1ccccc1 34a_100000759325_100000230001 [1,1,0,0,0,0|2,0,0]=4 4209 B15R1.35 OCCCOCCOCc1ccccc1 7a_100000759325_100011215043 [1,1,0,0,0,0|2,0,0]=4 4210 B15R1.35 OCCCOCCSCc1ccccc1 34a_100011205989_100000230001 [1,1,0,0,0,0|2,0,0]=4 4211 B15R1.35 OCCCOCCSCc1ccccc1 7a_100011205989_100011215043 [1,1,0,0,0,0|2,0,0]=4 4212 B15R1.35 OCCCSCCCCc1ccccc1 62a_100000701786_100011215043 [1,1,0,0,0,0|1,1,0]=4 4213 B15R1.35 OCCCSCCCCc1ccccc1 62a_100011215043_100000701786 [1,1,0,0,0,0|1,1,0]=4 4214 B15R1.35 OCCOCCCCCc1ccccc1 34a_200011219639_100000211926 [1,1,0,0,0,0|2,0,0]=4 4215 B15R1.35 OCCOCCCCCc1ccccc1 7a_200011219639_100000211926 [1,1,0,0,0,0|2,0,0]=4 4216 B15R1.35 OCCOCCCCOc1ccccc1 34a_100000752354_100000211926 [1,1,0,0,0,0|2,0,0]=4 4217 B15R1.35 OCCOCCCCOc1ccccc1 7a_100000752354_100000211926 [1,1,0,0,0,0|2,0,0]=4 4218 B15R1.35 OCCOCCCNCc1ccccc1 34a_100000185501_100000211926 [1,1,0,0,0,0|2,0,0]=4 4219 B15R1.35 OCCOCCCOCc1ccccc1 34a_100000691849_100000211926 [1,1,0,0,0,0|2,0,0]=4 4220 B15R1.35 OCCOCCCOCc1ccccc1 7a_100000691849_100000211926 [1,1,0,0,0,0|2,0,0]=4 4221 B15R1.35 OCCOCCNCCc1ccccc1 2230a_100000106460_100011215305 [1,1,0,0,0,0|2,0,0]=4 4222 B15R1.35 OCCOCCNCCc1ccccc1 2230a_100000211614_100000765856 [1,1,0,0,0,0|2,0,0]=4 4223 B15R1.35 OCCOCCNCCc1ccccc1 34a_100000106460_100000692535 [1,1,0,0,0,0|2,0,0]=4 4224 B15R1.35 OCCOCCNCCc1ccccc1 34a_100000211614_100000765856 [1,1,0,0,0,0|2,0,0]=4 4225 B15R1.35 OCCOCCOCCc1ccccc1 34a_100000210268_100000692535 [1,1,0,0,0,0|1,0,0]=3 4226 B15R1.35 OCCOCCOCCc1ccccc1 7a_100000210268_100011215305 [1,1,0,0,0,0|1,0,0]=3 4227 B15R1.35 OCCOCCOCCc1ccccn1 34a_100000210271_100000692535 [1,1,0,0,0,0|2,0,0]=4 4228 B15R1.35 OCCOCCOCCc1cccnc1 34a_100011217484_100000692535 [1,1,0,0,0,0|2,0,0]=4 4229 B15R1.35 OCCOCCOCCc1ccncc1 34a_100011216225_100000692535 [1,1,0,0,0,0|2,0,0]=4 4230 B15R1.35 OCCOCCSCCc1ccccc1 62a_100000765856_100011215305 [1,1,0,0,0,0|1,1,0]=4 4231 B15R1.35 OCCOCCSCCc1ccccc1 62a_100011215305_100011218657 [1,1,0,0,0,0|1,1,0]=4 4232 B15R1.35 [13CH3]NCCOCCOCc1ccccc1 2230a_100012282123_200025704644 [1,1,0,0,0,0|2,0,0]=4 4233 B15R1.35 [13CH3]NCCOCCOCc1ccccc1 34a_100012282123_200025704644 [1,1,0,0,0,0|2,0,0]=4 4234 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 34a_100000042756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4235 B15R1.35 [13CH3]OCCCCCCCc1ccccc1 7a_100000042756_200025704644 [1,1,0,0,0,0|2,0,0]=4 4236 B15R1.35 [13CH3]OCCOCCOCc1ccccc1 34a_100000037723_200025704644 [1,1,0,0,0,0|2,0,0]=4 4237 B15R1.35 [13CH3]OCCOCCOCc1ccccc1 7a_100000037723_200025704644 [1,1,0,0,0,0|2,0,0]=4 4238 B15R1.35 [13CH3]SCCCCCCCc1ccccc1 62a_200025704644_200009813472 [1,1,0,0,0,0|2,0,0]=4 4239 B15R1.35 [13CH3]SCCOCCOCc1ccccc1 62a_100010883073_200025704644 [1,1,0,0,0,0|2,0,0]=4 4240 B15R1.35 [13CH3]SCCOCCOCc1ccccc1 62a_200025704644_100010883073 [1,1,0,0,0,0|2,0,0]=4 4241 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000185753_100000210326 [1,1,0,0,0,0|2,0,0]=4 4242 B15R1.78 CCCCCC(=O)CCc1ccccc1 1458a_100000212188_100000765856 [1,1,0,0,0,0|2,0,0]=4 4243 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000207497_100000210326 [1,1,0,0,0,0|2,0,0]=4 4244 B15R1.78 CCCCCN(C)CCc1ccccc1 2230a_100000223495_100000765856 [1,1,0,0,0,0|2,0,0]=4 4245 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000207497_100000210215 [1,1,0,0,0,0|2,0,0]=4 4246 B15R1.78 CCCCCN(C)CCc1ccccc1 269982a_100000223495_100000765856 [1,1,0,0,0,0|2,0,0]=4 4247 B15R1.78 CCCOCC(=O)CCc1ccccc1 1458a_100000745993_100000765856 [1,1,0,0,0,0|1,0,0]=3 4248 B15R1.78 CCCOCC(=O)CCc1ccccc1 34a_100000210258_100012361361 [1,1,0,0,0,0|1,0,0]=3 4249 B15R1.78 CCCOCC(=O)CCc1ccccn1 1458a_100000745993_100015183660 [1,1,0,0,0,0|2,0,0]=4 4250 B15R1.78 CCCOCC(=O)CCc1cccnc1 1458a_100000745993_200011713674 [1,1,0,0,0,0|2,0,0]=4 4251 B15R1.78 CCCOCC(=O)CCc1ccncc1 1458a_100000745993_100000723409 [1,1,0,0,0,0|2,0,0]=4 4252 B15R1.78 CCCOCC(=O)NCc1ccccc1 11a_100015324214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4253 B15R1.78 CCCOCC(=O)NCc1ccccc1 1626a_100015324214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4254 B15R1.78 CCCOCC(=O)NCc1ccccc1 240690a_100015324214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4255 B15R1.78 CCCOCC(=O)NCc1ccccc1 34a_100000210258_100000183539 [1,1,0,0,0,0|2,0,0]=4 4256 B15R1.78 CCCOCC(=O)NCc1ccccc1 527a_100015324214_100000745993 [1,1,0,0,0,0|2,0,0]=4 4257 B15R1.78 CCCOCC(=O)OCc1ccccc1 34a_100000210258_100000753625 [1,1,0,0,0,0|2,0,0]=4 4258 B15R1.78 CCCOC[C@@H](C)NCc1ccccc1 34a_100000762708_100000210303 [1,1,0,0,0,0|2,0,0]=4 4259 B15R1.78 CCCSCC(=O)CCc1ccccc1 1458a_100000217233_100000765856 [1,1,0,0,0,0|1,1,0]=4 4260 B15R1.78 CCCSCC(=O)CCc1ccccc1 62a_100000210303_100012361361 [1,1,0,0,0,0|1,1,0]=4 4261 B15R1.78 CCCSCC(=O)CCc1ccccc1 62a_100012361361_100000210303 [1,1,0,0,0,0|1,1,0]=4 4262 B15R1.78 NCCOCC(=O)CCc1ccccc1 34a_100000210304_100012361361 [1,1,0,0,0,0|2,0,0]=4 4263 B15R1.78 O=C(CCc1ccccc1)COCCBr 34a_100000211926_100012361361 [1,1,0,0,0,0|2,0,0]=4 4264 B15R1.78 O=C(CCc1ccccc1)COCCO 1458a_100000708028_100000765856 [1,1,0,0,0,0|2,0,0]=4 4265 B15R1.83 CC(Cc1ccccc1)OCCCCBr 34a_100011216708_200011218536 [1,1,0,0,0,0|2,0,0]=4 4266 B15R1.83 CC(Cc1ccccc1)OCCCCCl 34a_100000210776_200011218536 [1,1,0,0,0,0|2,0,0]=4 4267 B15R1.83 CC(Cc1ccccc1)OCCCCCl 7a_100000210776_200011218536 [1,1,0,0,0,0|2,0,0]=4 4268 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100000748627_100000729493 [1,1,0,0,0,0|2,0,0]=4 4269 B15R1.83 CC(Cc1ccccc1)OCCCCF 34a_100011995726_200011218536 [1,1,0,0,0,0|2,0,0]=4 4270 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100000748627_100000729493 [1,1,0,0,0,0|2,0,0]=4 4271 B15R1.83 CC(Cc1ccccc1)OCCCCF 7a_100011995726_200011218536 [1,1,0,0,0,0|2,0,0]=4 4272 B15R1.83 CC(Cc1ccccc1)OCCCCI 34a_200012148704_200011218536 [1,1,0,0,0,0|2,0,0]=4 4273 B15R1.83 CC(Cc1ccccc1)OCCCCN 34a_100000750430_200011218536 [1,1,0,0,0,0|2,0,0]=4 4274 B15R1.83 CC(Cc1ccccc1)OCCCCO 34a_100000748627_100011216708 [1,1,0,0,0,0|2,0,0]=4 4275 B15R1.83 CC(Cc1ccccc1)OCCCCO 7a_100000748627_100000210776 [1,1,0,0,0,0|2,0,0]=4 4276 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 34a_100000748627_100103147603 [1,1,0,0,0,0|1,0,1]=4 4277 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 34a_100016268518_200011218536 [1,1,0,0,0,0|1,0,1]=4 4278 B15R1.83 CC/C=C\COC(C)Cc1ccccc1 7a_100000748627_100103147603 [1,1,0,0,0,0|1,0,1]=4 4279 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000032950_200011218536 [1,1,0,0,0,0|1,0,1]=4 4280 B15R1.83 CCC#CCOC(C)Cc1ccccc1 34a_100000748627_100009813939 [1,1,0,0,0,0|1,0,1]=4 4281 B15R1.83 CCC#CCOC(C)Cc1ccccc1 7a_100000748627_100009813939 [1,1,0,0,0,0|1,0,1]=4 4282 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [1,1,0,0,0,0|1,0,0]=3 4283 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [1,1,0,0,0,0|1,0,0]=3 4284 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [1,1,0,0,0,0|1,0,0]=3 4285 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [1,1,0,0,0,0|1,0,0]=3 4286 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_100000210326_200011218536 [1,1,0,0,0,0|1,1,0]=4 4287 B15R1.83 CCCCCSC(C)Cc1ccccc1 62a_200011218536_100000210326 [1,1,0,0,0,0|1,1,0]=4 4288 B15R1.83 CCCOCCN(C)Cc1ccccc1 2230a_100000186898_100011215938 [1,1,0,0,0,0|2,0,0]=4 4289 B15R1.83 CCCOCCN(C)Cc1ccccc1 269982a_100000186898_100011215938 [1,1,0,0,0,0|2,0,0]=4 4290 B15R1.83 CCCOCCN(C)Cc1ccccc1 34a_100000210258_100015196923 [1,1,0,0,0,0|2,0,0]=4 4291 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000210136_200011218536 [1,1,0,0,0,0|2,0,0]=4 4292 B15R1.83 CCOCCOC(C)Cc1ccccc1 34a_100000748627_100000210147 [1,1,0,0,0,0|2,0,0]=4 4293 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000210136_200011218536 [1,1,0,0,0,0|2,0,0]=4 4294 B15R1.83 CCOCCOC(C)Cc1ccccc1 7a_100000748627_100011215890 [1,1,0,0,0,0|2,0,0]=4 4295 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000212035_200011218536 [1,1,0,0,0,0|2,0,0]=4 4296 B15R1.83 CCSCCOC(C)Cc1ccccc1 34a_100000748627_100000757381 [1,1,0,0,0,0|2,0,0]=4 4297 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000212035_200011218536 [1,1,0,0,0,0|2,0,0]=4 4298 B15R1.83 CCSCCOC(C)Cc1ccccc1 7a_100000748627_100000757381 [1,1,0,0,0,0|2,0,0]=4 4299 B15R1.83 CNCCCOC(C)Cc1ccccc1 34a_100000213112_200011218536 [1,1,0,0,0,0|2,0,0]=4 4300 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000740835_200011218536 [1,1,0,0,0,0|2,0,0]=4 4301 B15R1.83 COCCCOC(C)Cc1ccccc1 34a_100000748627_100000740836 [1,1,0,0,0,0|2,0,0]=4 4302 B15R1.83 COCCCOC(C)Cc1ccccc1 7a_100000748627_100000740836 [1,1,0,0,0,0|2,0,0]=4 4303 B15R1.83 CSCCCOC(C)Cc1ccccc1 34a_100000690336_200011218536 [1,1,0,0,0,0|2,0,0]=4 4304 B15R1.83 CSCCCOC(C)Cc1ccccc1 7a_100000690336_200011218536 [1,1,0,0,0,0|2,0,0]=4 4305 B15R1.106 BrCCCCOCCc1cccc(c1)Br 34a_100011216708_100011740638 [1,1,0,0,0,0|2,0,0]=4 4306 B15R1.106 Brc1cccc(c1)CCOCCCCI 34a_200012148704_100011740638 [1,1,0,0,0,0|2,0,0]=4 4307 B15R1.106 CC/C=C\COCCc1cccc(c1)Br 34a_100011217444_100103147603 [1,1,0,0,0,0|1,0,1]=4 4308 B15R1.106 CC/C=C\COCCc1cccc(c1)Br 34a_100016268518_100011740638 [1,1,0,0,0,0|1,0,1]=4 4309 B15R1.106 CC/C=C\COCCc1cccc(c1)Br 7a_100011217444_100103147603 [1,1,0,0,0,0|1,0,1]=4 4310 B15R1.106 CC/C=C\COCCc1cccc(c1)C 34a_100011217157_100103147603 [1,1,0,0,0,0|1,0,1]=4 4311 B15R1.106 CC/C=C\COCCc1cccc(c1)C 34a_100016268518_100011713685 [1,1,0,0,0,0|1,0,1]=4 4312 B15R1.106 CC/C=C\COCCc1cccc(c1)C 7a_100011217157_100103147603 [1,1,0,0,0,0|1,0,1]=4 4313 B15R1.106 CC/C=C\COCCc1cccc(c1)Cl 34a_100000754733_100103147603 [1,1,0,0,0,0|1,0,1]=4 4314 B15R1.106 CC/C=C\COCCc1cccc(c1)Cl 34a_100016268518_100011713710 [1,1,0,0,0,0|1,0,1]=4 4315 B15R1.106 CC/C=C\COCCc1cccc(c1)Cl 7a_100000754733_100103147603 [1,1,0,0,0,0|1,0,1]=4 4316 B15R1.106 CC/C=C\COCCc1cccc(c1)F 34a_100000763591_100103147603 [1,1,0,0,0,0|1,0,1]=4 4317 B15R1.106 CC/C=C\COCCc1cccc(c1)F 34a_100016268518_100011217235 [1,1,0,0,0,0|1,0,1]=4 4318 B15R1.106 CC/C=C\COCCc1cccc(c1)F 7a_100000763591_100103147603 [1,1,0,0,0,0|1,0,1]=4 4319 B15R1.106 CC/C=C\COCCc1cccc(c1)N 34a_100011996697_100103147603 [1,1,0,0,0,0|1,0,1]=4 4320 B15R1.106 CCC#CCOCCc1cccc(c1)Br 34a_100000032950_100011740638 [1,1,0,0,0,0|1,0,1]=4 4321 B15R1.106 CCC#CCOCCc1cccc(c1)Br 34a_100011217444_100009813939 [1,1,0,0,0,0|1,0,1]=4 4322 B15R1.106 CCC#CCOCCc1cccc(c1)Br 7a_100011217444_100009813939 [1,1,0,0,0,0|1,0,1]=4 4323 B15R1.106 CCC#CCOCCc1cccc(c1)C 34a_100000032950_100011713685 [1,1,0,0,0,0|1,0,1]=4 4324 B15R1.106 CCC#CCOCCc1cccc(c1)C 34a_100011217157_100009813939 [1,1,0,0,0,0|1,0,1]=4 4325 B15R1.106 CCC#CCOCCc1cccc(c1)C 7a_100011217157_100009813939 [1,1,0,0,0,0|1,0,1]=4 4326 B15R1.106 CCC#CCOCCc1cccc(c1)Cl 34a_100000032950_100011713710 [1,1,0,0,0,0|1,0,1]=4 4327 B15R1.106 CCC#CCOCCc1cccc(c1)Cl 34a_100000754733_100009813939 [1,1,0,0,0,0|1,0,1]=4 4328 B15R1.106 CCC#CCOCCc1cccc(c1)Cl 7a_100000754733_100009813939 [1,1,0,0,0,0|1,0,1]=4 4329 B15R1.106 CCC#CCOCCc1cccc(c1)F 34a_100000032950_100011217235 [1,1,0,0,0,0|1,0,1]=4 4330 B15R1.106 CCC#CCOCCc1cccc(c1)F 34a_100000763591_100009813939 [1,1,0,0,0,0|1,0,1]=4 4331 B15R1.106 CCC#CCOCCc1cccc(c1)F 7a_100000763591_100009813939 [1,1,0,0,0,0|1,0,1]=4 4332 B15R1.106 CCC#CCOCCc1cccc(c1)N 34a_100011996697_100009813939 [1,1,0,0,0,0|1,0,1]=4 4333 B15R1.106 CCCCCCCCc1cccc(c1)O 271570a_203496583355_100011162360 [1,1,0,0,0,0|2,0,0]=4 4334 B15R1.106 CCCCCNCCc1cccc(c1)Br 2230a_100000209983_100011740638 [1,1,0,0,0,0|2,0,0]=4 4335 B15R1.106 CCCCCNCCc1cccc(c1)Br 2230a_100011207229_100000210326 [1,1,0,0,0,0|2,0,0]=4 4336 B15R1.106 CCCCCNCCc1cccc(c1)Br 34a_100011207229_100000718602 [1,1,0,0,0,0|2,0,0]=4 4337 B15R1.106 CCCCCNCCc1cccc(c1)C 2230a_100000209983_100011713685 [1,1,0,0,0,0|2,0,0]=4 4338 B15R1.106 CCCCCNCCc1cccc(c1)C 2230a_100000749837_100000210326 [1,1,0,0,0,0|2,0,0]=4 4339 B15R1.106 CCCCCNCCc1cccc(c1)C 34a_100000749837_100000718602 [1,1,0,0,0,0|2,0,0]=4 4340 B15R1.106 CCCCCNCCc1cccc(c1)Cl 2230a_100000185263_100000210326 [1,1,0,0,0,0|2,0,0]=4 4341 B15R1.106 CCCCCNCCc1cccc(c1)Cl 2230a_100000209983_100011713710 [1,1,0,0,0,0|2,0,0]=4 4342 B15R1.106 CCCCCNCCc1cccc(c1)Cl 34a_100000185263_100000718602 [1,1,0,0,0,0|2,0,0]=4 4343 B15R1.106 CCCCCNCCc1cccc(c1)F 2230a_100000205154_100000210326 [1,1,0,0,0,0|2,0,0]=4 4344 B15R1.106 CCCCCNCCc1cccc(c1)F 2230a_100000209983_100011217235 [1,1,0,0,0,0|2,0,0]=4 4345 B15R1.106 CCCCCNCCc1cccc(c1)F 34a_100000205154_100000718602 [1,1,0,0,0,0|2,0,0]=4 4346 B15R1.106 CCCCCNCCc1cccc(c1)O 2230a_100000747277_100000210326 [1,1,0,0,0,0|2,0,0]=4 4347 B15R1.106 CCCCCNCCc1cccc(c1)O 34a_100000747277_100000718602 [1,1,0,0,0,0|2,0,0]=4 4348 B15R1.106 CCCCCOCCc1cccc(c1)Br 34a_100000210253_100011740638 [1,1,0,0,0,0|1,0,0]=3 4349 B15R1.106 CCCCCOCCc1cccc(c1)Br 34a_100011217444_100000718602 [1,1,0,0,0,0|1,0,0]=3 4350 B15R1.106 CCCCCOCCc1cccc(c1)Br 7a_100000210253_100011740638 [1,1,0,0,0,0|1,0,0]=3 4351 B15R1.106 CCCCCOCCc1cccc(c1)Br 7a_100011217444_100000210326 [1,1,0,0,0,0|1,0,0]=3 4352 B15R1.106 CCCCCOCCc1cccc(c1)C 34a_100000210253_100011713685 [1,1,0,0,0,0|1,0,0]=3 4353 B15R1.106 CCCCCOCCc1cccc(c1)C 34a_100011217157_100000718602 [1,1,0,0,0,0|1,0,0]=3 4354 B15R1.106 CCCCCOCCc1cccc(c1)C 7a_100000210253_100011713685 [1,1,0,0,0,0|1,0,0]=3 4355 B15R1.106 CCCCCOCCc1cccc(c1)C 7a_100011217157_100000210326 [1,1,0,0,0,0|1,0,0]=3 4356 B15R1.106 CCCCCOCCc1cccc(c1)Cl 34a_100000210253_100011713710 [1,1,0,0,0,0|1,0,0]=3 4357 B15R1.106 CCCCCOCCc1cccc(c1)Cl 34a_100000754733_100000718602 [1,1,0,0,0,0|1,0,0]=3 4358 B15R1.106 CCCCCOCCc1cccc(c1)Cl 7a_100000210253_100011713710 [1,1,0,0,0,0|1,0,0]=3 4359 B15R1.106 CCCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210326 [1,1,0,0,0,0|1,0,0]=3 4360 B15R1.106 CCCCCOCCc1cccc(c1)F 34a_100000210253_100011217235 [1,1,0,0,0,0|1,0,0]=3 4361 B15R1.106 CCCCCOCCc1cccc(c1)F 34a_100000763591_100000718602 [1,1,0,0,0,0|1,0,0]=3 4362 B15R1.106 CCCCCOCCc1cccc(c1)F 7a_100000210253_100011217235 [1,1,0,0,0,0|1,0,0]=3 4363 B15R1.106 CCCCCOCCc1cccc(c1)F 7a_100000763591_100000210326 [1,1,0,0,0,0|1,0,0]=3 4364 B15R1.106 CCCCCOCCc1cccc(c1)N 34a_100011996697_100000718602 [1,1,0,0,0,0|1,0,0]=3 4365 B15R1.106 CCCCCOCCc1cccc(n1)Br 34a_100010221043_100000718602 [1,1,0,0,0,0|2,0,0]=4 4366 B15R1.106 CCCCCOCCc1cccc(n1)Br 7a_100010221043_100000210326 [1,1,0,0,0,0|2,0,0]=4 4367 B15R1.106 CCCCCSCCc1cccc(c1)Br 62a_100000210326_100011740638 [1,1,0,0,0,0|1,1,0]=4 4368 B15R1.106 CCCCCSCCc1cccc(c1)Br 62a_100011740638_100000210326 [1,1,0,0,0,0|1,1,0]=4 4369 B15R1.106 CCCCCSCCc1cccc(c1)C 62a_100000210326_100011713685 [1,1,0,0,0,0|1,1,0]=4 4370 B15R1.106 CCCCCSCCc1cccc(c1)C 62a_100011713685_100000210326 [1,1,0,0,0,0|1,1,0]=4 4371 B15R1.106 CCCCCSCCc1cccc(c1)Cl 62a_100000210326_100011713710 [1,1,0,0,0,0|1,1,0]=4 4372 B15R1.106 CCCCCSCCc1cccc(c1)Cl 62a_100011713710_100000210326 [1,1,0,0,0,0|1,1,0]=4 4373 B15R1.106 CCCCCSCCc1cccc(c1)F 62a_100000210326_100011217235 [1,1,0,0,0,0|1,1,0]=4 4374 B15R1.106 CCCCCSCCc1cccc(c1)F 62a_100011217235_100000210326 [1,1,0,0,0,0|1,1,0]=4 4375 B15R1.106 CCCOCCCOc1cccc(c1)C 34a_100000210258_100000212303 [1,1,0,0,0,0|2,0,0]=4 4376 B15R1.106 CCCOCCCOc1cccc(c1)Cl 34a_100000210258_100000742658 [1,1,0,0,0,0|2,0,0]=4 4377 B15R1.106 CCCOCCCOc1cccc(c1)F 34a_200011305857_100000210303 [1,1,0,0,0,0|2,0,0]=4 4378 B15R1.106 CCCOCCCOc1cccc(c1)F 7a_200011305857_100000210303 [1,1,0,0,0,0|2,0,0]=4 4379 B15R1.106 CCCOCCNCc1cccc(c1)Br 207a_100161115042_100000210085 [1,1,0,0,0,0|2,0,0]=4 4380 B15R1.106 CCCOCCNCc1cccc(c1)Br 2230a_100000174977_100011215938 [1,1,0,0,0,0|2,0,0]=4 4381 B15R1.106 CCCOCCNCc1cccc(c1)Br 2230a_100161115042_100000698116 [1,1,0,0,0,0|2,0,0]=4 4382 B15R1.106 CCCOCCNCc1cccc(c1)Br 270004a_100161115042_100000210085 [1,1,0,0,0,0|2,0,0]=4 4383 B15R1.106 CCCOCCNCc1cccc(c1)Br 34a_100000174977_100011215938 [1,1,0,0,0,0|2,0,0]=4 4384 B15R1.106 CCCOCCNCc1cccc(c1)Br 34a_100161115042_100000698116 [1,1,0,0,0,0|2,0,0]=4 4385 B15R1.106 CCCOCCNCc1cccc(c1)C 207a_100161115042_100000211157 [1,1,0,0,0,0|2,0,0]=4 4386 B15R1.106 CCCOCCNCc1cccc(c1)C 2230a_100000185548_100011215938 [1,1,0,0,0,0|2,0,0]=4 4387 B15R1.106 CCCOCCNCc1cccc(c1)C 2230a_100161115042_100000211840 [1,1,0,0,0,0|2,0,0]=4 4388 B15R1.106 CCCOCCNCc1cccc(c1)C 270004a_100161115042_100000211157 [1,1,0,0,0,0|2,0,0]=4 4389 B15R1.106 CCCOCCNCc1cccc(c1)C 34a_100000185548_100011215938 [1,1,0,0,0,0|2,0,0]=4 4390 B15R1.106 CCCOCCNCc1cccc(c1)C 34a_100161115042_100000211840 [1,1,0,0,0,0|2,0,0]=4 4391 B15R1.106 CCCOCCNCc1cccc(c1)Cl 207a_100161115042_100000210801 [1,1,0,0,0,0|2,0,0]=4 4392 B15R1.106 CCCOCCNCc1cccc(c1)Cl 2230a_100000174878_100011215938 [1,1,0,0,0,0|2,0,0]=4 4393 B15R1.106 CCCOCCNCc1cccc(c1)Cl 2230a_100161115042_100000181238 [1,1,0,0,0,0|2,0,0]=4 4394 B15R1.106 CCCOCCNCc1cccc(c1)Cl 270004a_100161115042_100000210801 [1,1,0,0,0,0|2,0,0]=4 4395 B15R1.106 CCCOCCNCc1cccc(c1)Cl 34a_100000174878_100011215938 [1,1,0,0,0,0|2,0,0]=4 4396 B15R1.106 CCCOCCNCc1cccc(c1)Cl 34a_100000719050_100000210303 [1,1,0,0,0,0|2,0,0]=4 4397 B15R1.106 CCCOCCNCc1cccc(c1)Cl 34a_100161115042_100000187163 [1,1,0,0,0,0|2,0,0]=4 4398 B15R1.106 CCCOCCNCc1cccc(c1)F 207a_100161115042_100000210812 [1,1,0,0,0,0|2,0,0]=4 4399 B15R1.106 CCCOCCNCc1cccc(c1)F 2230a_100000174948_100011215938 [1,1,0,0,0,0|2,0,0]=4 4400 B15R1.106 CCCOCCNCc1cccc(c1)F 2230a_100161115042_100000230114 [1,1,0,0,0,0|2,0,0]=4 4401 B15R1.106 CCCOCCNCc1cccc(c1)F 270004a_100161115042_100000210812 [1,1,0,0,0,0|2,0,0]=4 4402 B15R1.106 CCCOCCNCc1cccc(c1)F 34a_100000174948_100011215938 [1,1,0,0,0,0|2,0,0]=4 4403 B15R1.106 CCCOCCNCc1cccc(c1)F 34a_100161115042_100000187166 [1,1,0,0,0,0|2,0,0]=4 4404 B15R1.106 CCCOCCNCc1cccc(c1)I 207a_100161115042_100000014684 [1,1,0,0,0,0|2,0,0]=4 4405 B15R1.106 CCCOCCNCc1cccc(c1)I 2230a_100000106179_100011215938 [1,1,0,0,0,0|2,0,0]=4 4406 B15R1.106 CCCOCCNCc1cccc(c1)I 2230a_100161115042_100011218688 [1,1,0,0,0,0|2,0,0]=4 4407 B15R1.106 CCCOCCNCc1cccc(c1)I 270004a_100161115042_100000014684 [1,1,0,0,0,0|2,0,0]=4 4408 B15R1.106 CCCOCCNCc1cccc(c1)I 34a_100000106179_100011215938 [1,1,0,0,0,0|2,0,0]=4 4409 B15R1.106 CCCOCCNCc1cccc(c1)I 34a_100161115042_100011218688 [1,1,0,0,0,0|2,0,0]=4 4410 B15R1.106 CCCOCCNCc1cccc(c1)O 207a_100161115042_100000188321 [1,1,0,0,0,0|2,0,0]=4 4411 B15R1.106 CCCOCCNCc1cccc(c1)O 2230a_100000743036_100011215938 [1,1,0,0,0,0|2,0,0]=4 4412 B15R1.106 CCCOCCNCc1cccc(c1)O 2230a_100161115042_100011660834 [1,1,0,0,0,0|2,0,0]=4 4413 B15R1.106 CCCOCCNCc1cccc(c1)O 270004a_100161115042_100000188321 [1,1,0,0,0,0|2,0,0]=4 4414 B15R1.106 CCCOCCNCc1cccc(c1)O 34a_100000743036_100011215938 [1,1,0,0,0,0|2,0,0]=4 4415 B15R1.106 CCCOCCNCc1cccc(c1)O 34a_100161115042_100011660834 [1,1,0,0,0,0|2,0,0]=4 4416 B15R1.106 CCCOCCOCc1cccc(c1)Br 34a_100000687537_100011215938 [1,1,0,0,0,0|2,0,0]=4 4417 B15R1.106 CCCOCCOCc1cccc(c1)Br 34a_100000752267_100000698116 [1,1,0,0,0,0|2,0,0]=4 4418 B15R1.106 CCCOCCOCc1cccc(c1)Br 7a_100000687537_100011215938 [1,1,0,0,0,0|2,0,0]=4 4419 B15R1.106 CCCOCCOCc1cccc(c1)Br 7a_100000752267_100000211773 [1,1,0,0,0,0|2,0,0]=4 4420 B15R1.106 CCCOCCOCc1cccc(c1)C 34a_100000752267_100000211840 [1,1,0,0,0,0|2,0,0]=4 4421 B15R1.106 CCCOCCOCc1cccc(c1)C 34a_100011217746_100011215938 [1,1,0,0,0,0|2,0,0]=4 4422 B15R1.106 CCCOCCOCc1cccc(c1)C 7a_100000752267_100000211840 [1,1,0,0,0,0|2,0,0]=4 4423 B15R1.106 CCCOCCOCc1cccc(c1)C 7a_100011217746_100011215938 [1,1,0,0,0,0|2,0,0]=4 4424 B15R1.106 CCCOCCOCc1cccc(c1)Cl 34a_100000241301_100011215938 [1,1,0,0,0,0|2,0,0]=4 4425 B15R1.106 CCCOCCOCc1cccc(c1)Cl 34a_100000752267_100000187163 [1,1,0,0,0,0|2,0,0]=4 4426 B15R1.106 CCCOCCOCc1cccc(c1)Cl 7a_100000241301_100011215938 [1,1,0,0,0,0|2,0,0]=4 4427 B15R1.106 CCCOCCOCc1cccc(c1)Cl 7a_100000752267_100000187163 [1,1,0,0,0,0|2,0,0]=4 4428 B15R1.106 CCCOCCOCc1cccc(c1)F 34a_100000210976_100011215938 [1,1,0,0,0,0|2,0,0]=4 4429 B15R1.106 CCCOCCOCc1cccc(c1)F 34a_100000752267_100000187166 [1,1,0,0,0,0|2,0,0]=4 4430 B15R1.106 CCCOCCOCc1cccc(c1)F 7a_100000210976_100011215938 [1,1,0,0,0,0|2,0,0]=4 4431 B15R1.106 CCCOCCOCc1cccc(c1)F 7a_100000752267_100000230114 [1,1,0,0,0,0|2,0,0]=4 4432 B15R1.106 CCCOCCOCc1cccc(c1)I 34a_100000752267_100011218688 [1,1,0,0,0,0|2,0,0]=4 4433 B15R1.106 CCCOCCOCc1cccc(c1)I 34a_100011215336_100011215938 [1,1,0,0,0,0|2,0,0]=4 4434 B15R1.106 CCCOCCOCc1cccc(c1)I 7a_100000752267_100011218688 [1,1,0,0,0,0|2,0,0]=4 4435 B15R1.106 CCCOCCOCc1cccc(c1)I 7a_100011215336_100011215938 [1,1,0,0,0,0|2,0,0]=4 4436 B15R1.106 CCCOCCOCc1cccc(c1)N 34a_100000211919_100011215938 [1,1,0,0,0,0|2,0,0]=4 4437 B15R1.106 CCCOCCOCc1cccc(c1)O 34a_100000752267_100011660834 [1,1,0,0,0,0|2,0,0]=4 4438 B15R1.106 CCCOCCOCc1cccc(c1)O 7a_100000752267_100000084143 [1,1,0,0,0,0|2,0,0]=4 4439 B15R1.106 CCCOCCSCc1cccc(c1)Br 62a_100000211773_100011215938 [1,1,0,0,0,0|2,0,0]=4 4440 B15R1.106 CCCOCCSCc1cccc(c1)Br 62a_100011215938_100000211773 [1,1,0,0,0,0|2,0,0]=4 4441 B15R1.106 CCCOCCSCc1cccc(c1)C 34a_100011212950_100000210303 [1,1,0,0,0,0|2,0,0]=4 4442 B15R1.106 CCCOCCSCc1cccc(c1)C 62a_100000211840_100011215938 [1,1,0,0,0,0|2,0,0]=4 4443 B15R1.106 CCCOCCSCc1cccc(c1)C 62a_100011215938_100000211840 [1,1,0,0,0,0|2,0,0]=4 4444 B15R1.106 CCCOCCSCc1cccc(c1)C 7a_100011212950_100000210303 [1,1,0,0,0,0|2,0,0]=4 4445 B15R1.106 CCCOCCSCc1cccc(c1)Cl 62a_100000187163_100011215938 [1,1,0,0,0,0|2,0,0]=4 4446 B15R1.106 CCCOCCSCc1cccc(c1)Cl 62a_100011215938_100000187163 [1,1,0,0,0,0|2,0,0]=4 4447 B15R1.106 CCCOCCSCc1cccc(c1)F 34a_100011212928_100000210303 [1,1,0,0,0,0|2,0,0]=4 4448 B15R1.106 CCCOCCSCc1cccc(c1)F 62a_100000230114_100011215938 [1,1,0,0,0,0|2,0,0]=4 4449 B15R1.106 CCCOCCSCc1cccc(c1)F 62a_100011215938_100000230114 [1,1,0,0,0,0|2,0,0]=4 4450 B15R1.106 CCCOCCSCc1cccc(c1)F 7a_100011212928_100000210303 [1,1,0,0,0,0|2,0,0]=4 4451 B15R1.106 CCCOCCSCc1cccc(c1)I 62a_100011215938_100011218688 [1,1,0,0,0,0|2,0,0]=4 4452 B15R1.106 CCCOCCSCc1cccc(c1)I 62a_100011218688_100011215938 [1,1,0,0,0,0|2,0,0]=4 4453 B15R1.106 CCCOCCSCc1cccc(c1)O 62a_100011215938_100011660834 [1,1,0,0,0,0|2,0,0]=4 4454 B15R1.106 CCCOCCSCc1cccc(c1)O 62a_100011660834_100011215938 [1,1,0,0,0,0|2,0,0]=4 4455 B15R1.106 CCOCCOCCc1cccc(c1)Br 34a_100000210136_100011740638 [1,1,0,0,0,0|2,0,0]=4 4456 B15R1.106 CCOCCOCCc1cccc(c1)Br 34a_100011217444_100000210147 [1,1,0,0,0,0|2,0,0]=4 4457 B15R1.106 CCOCCOCCc1cccc(c1)Br 7a_100000210136_100011740638 [1,1,0,0,0,0|2,0,0]=4 4458 B15R1.106 CCOCCOCCc1cccc(c1)Br 7a_100011217444_100011215890 [1,1,0,0,0,0|2,0,0]=4 4459 B15R1.106 CCOCCOCCc1cccc(c1)C 34a_100000210136_100011713685 [1,1,0,0,0,0|2,0,0]=4 4460 B15R1.106 CCOCCOCCc1cccc(c1)C 34a_100011217157_100000210147 [1,1,0,0,0,0|2,0,0]=4 4461 B15R1.106 CCOCCOCCc1cccc(c1)C 7a_100000210136_100011713685 [1,1,0,0,0,0|2,0,0]=4 4462 B15R1.106 CCOCCOCCc1cccc(c1)C 7a_100011217157_100011215890 [1,1,0,0,0,0|2,0,0]=4 4463 B15R1.106 CCOCCOCCc1cccc(c1)Cl 34a_100000210136_100011713710 [1,1,0,0,0,0|2,0,0]=4 4464 B15R1.106 CCOCCOCCc1cccc(c1)Cl 34a_100000754733_100000210147 [1,1,0,0,0,0|2,0,0]=4 4465 B15R1.106 CCOCCOCCc1cccc(c1)Cl 7a_100000210136_100011713710 [1,1,0,0,0,0|2,0,0]=4 4466 B15R1.106 CCOCCOCCc1cccc(c1)Cl 7a_100000754733_100011215890 [1,1,0,0,0,0|2,0,0]=4 4467 B15R1.106 CCOCCOCCc1cccc(c1)F 34a_100000210136_100011217235 [1,1,0,0,0,0|2,0,0]=4 4468 B15R1.106 CCOCCOCCc1cccc(c1)F 34a_100000763591_100000210147 [1,1,0,0,0,0|2,0,0]=4 4469 B15R1.106 CCOCCOCCc1cccc(c1)F 7a_100000210136_100011217235 [1,1,0,0,0,0|2,0,0]=4 4470 B15R1.106 CCOCCOCCc1cccc(c1)F 7a_100000763591_100011215890 [1,1,0,0,0,0|2,0,0]=4 4471 B15R1.106 CCOCCOCCc1cccc(c1)N 34a_100011996697_100000210147 [1,1,0,0,0,0|2,0,0]=4 4472 B15R1.106 CCSCCOCCc1cccc(c1)Br 34a_100000212035_100011740638 [1,1,0,0,0,0|2,0,0]=4 4473 B15R1.106 CCSCCOCCc1cccc(c1)Br 34a_100011217444_100000757381 [1,1,0,0,0,0|2,0,0]=4 4474 B15R1.106 CCSCCOCCc1cccc(c1)Br 7a_100000212035_100011740638 [1,1,0,0,0,0|2,0,0]=4 4475 B15R1.106 CCSCCOCCc1cccc(c1)Br 7a_100011217444_100000757381 [1,1,0,0,0,0|2,0,0]=4 4476 B15R1.106 CCSCCOCCc1cccc(c1)C 34a_100000212035_100011713685 [1,1,0,0,0,0|2,0,0]=4 4477 B15R1.106 CCSCCOCCc1cccc(c1)C 34a_100011217157_100000757381 [1,1,0,0,0,0|2,0,0]=4 4478 B15R1.106 CCSCCOCCc1cccc(c1)C 7a_100000212035_100011713685 [1,1,0,0,0,0|2,0,0]=4 4479 B15R1.106 CCSCCOCCc1cccc(c1)C 7a_100011217157_100000757381 [1,1,0,0,0,0|2,0,0]=4 4480 B15R1.106 CCSCCOCCc1cccc(c1)Cl 34a_100000212035_100011713710 [1,1,0,0,0,0|2,0,0]=4 4481 B15R1.106 CCSCCOCCc1cccc(c1)Cl 34a_100000754733_100000757381 [1,1,0,0,0,0|2,0,0]=4 4482 B15R1.106 CCSCCOCCc1cccc(c1)Cl 7a_100000212035_100011713710 [1,1,0,0,0,0|2,0,0]=4 4483 B15R1.106 CCSCCOCCc1cccc(c1)Cl 7a_100000754733_100000757381 [1,1,0,0,0,0|2,0,0]=4 4484 B15R1.106 CCSCCOCCc1cccc(c1)F 34a_100000212035_100011217235 [1,1,0,0,0,0|2,0,0]=4 4485 B15R1.106 CCSCCOCCc1cccc(c1)F 34a_100000763591_100000757381 [1,1,0,0,0,0|2,0,0]=4 4486 B15R1.106 CCSCCOCCc1cccc(c1)F 7a_100000212035_100011217235 [1,1,0,0,0,0|2,0,0]=4 4487 B15R1.106 CCSCCOCCc1cccc(c1)F 7a_100000763591_100000757381 [1,1,0,0,0,0|2,0,0]=4 4488 B15R1.106 CCSCCOCCc1cccc(c1)N 34a_100011996697_100000757381 [1,1,0,0,0,0|2,0,0]=4 4489 B15R1.106 CNCCCOCCc1cccc(c1)Br 34a_100000213112_100011740638 [1,1,0,0,0,0|2,0,0]=4 4490 B15R1.106 CNCCCOCCc1cccc(c1)C 34a_100000213112_100011713685 [1,1,0,0,0,0|2,0,0]=4 4491 B15R1.106 CNCCCOCCc1cccc(c1)Cl 34a_100000213112_100011713710 [1,1,0,0,0,0|2,0,0]=4 4492 B15R1.106 CNCCCOCCc1cccc(c1)F 34a_100000213112_100011217235 [1,1,0,0,0,0|2,0,0]=4 4493 B15R1.106 COCCCOCCc1cccc(c1)Br 34a_100000740835_100011740638 [1,1,0,0,0,0|2,0,0]=4 4494 B15R1.106 COCCCOCCc1cccc(c1)Br 34a_100011217444_100000740836 [1,1,0,0,0,0|2,0,0]=4 4495 B15R1.106 COCCCOCCc1cccc(c1)Br 7a_100011217444_100000740836 [1,1,0,0,0,0|2,0,0]=4 4496 B15R1.106 COCCCOCCc1cccc(c1)C 34a_100000740835_100011713685 [1,1,0,0,0,0|2,0,0]=4 4497 B15R1.106 COCCCOCCc1cccc(c1)C 34a_100011217157_100000740836 [1,1,0,0,0,0|2,0,0]=4 4498 B15R1.106 COCCCOCCc1cccc(c1)C 7a_100011217157_100000740836 [1,1,0,0,0,0|2,0,0]=4 4499 B15R1.106 COCCCOCCc1cccc(c1)Cl 34a_100000740835_100011713710 [1,1,0,0,0,0|2,0,0]=4 4500 B15R1.106 COCCCOCCc1cccc(c1)Cl 34a_100000754733_100000740836 [1,1,0,0,0,0|2,0,0]=4 4501 B15R1.106 COCCCOCCc1cccc(c1)Cl 7a_100000754733_100000740836 [1,1,0,0,0,0|2,0,0]=4 4502 B15R1.106 COCCCOCCc1cccc(c1)F 34a_100000740835_100011217235 [1,1,0,0,0,0|2,0,0]=4 4503 B15R1.106 COCCCOCCc1cccc(c1)F 34a_100000763591_100000740836 [1,1,0,0,0,0|2,0,0]=4 4504 B15R1.106 COCCCOCCc1cccc(c1)F 7a_100000763591_100000740836 [1,1,0,0,0,0|2,0,0]=4 4505 B15R1.106 COCCCOCCc1cccc(c1)N 34a_100011996697_100000740836 [1,1,0,0,0,0|2,0,0]=4 4506 B15R1.106 CSCCCOCCc1cccc(c1)Br 34a_100000690336_100011740638 [1,1,0,0,0,0|2,0,0]=4 4507 B15R1.106 CSCCCOCCc1cccc(c1)Br 7a_100000690336_100011740638 [1,1,0,0,0,0|2,0,0]=4 4508 B15R1.106 CSCCCOCCc1cccc(c1)C 34a_100000690336_100011713685 [1,1,0,0,0,0|2,0,0]=4 4509 B15R1.106 CSCCCOCCc1cccc(c1)C 7a_100000690336_100011713685 [1,1,0,0,0,0|2,0,0]=4 4510 B15R1.106 CSCCCOCCc1cccc(c1)Cl 34a_100000690336_100011713710 [1,1,0,0,0,0|2,0,0]=4 4511 B15R1.106 CSCCCOCCc1cccc(c1)Cl 7a_100000690336_100011713710 [1,1,0,0,0,0|2,0,0]=4 4512 B15R1.106 CSCCCOCCc1cccc(c1)F 34a_100000690336_100011217235 [1,1,0,0,0,0|2,0,0]=4 4513 B15R1.106 CSCCCOCCc1cccc(c1)F 7a_100000690336_100011217235 [1,1,0,0,0,0|2,0,0]=4 4514 B15R1.106 Cc1cccc(c1)CCOCCCCBr 34a_100011216708_100011713685 [1,1,0,0,0,0|2,0,0]=4 4515 B15R1.106 Cc1cccc(c1)CCOCCCCCl 34a_100000210776_100011713685 [1,1,0,0,0,0|2,0,0]=4 4516 B15R1.106 Cc1cccc(c1)CCOCCCCCl 7a_100000210776_100011713685 [1,1,0,0,0,0|2,0,0]=4 4517 B15R1.106 Cc1cccc(c1)CCOCCCCF 34a_100011217157_100000729493 [1,1,0,0,0,0|2,0,0]=4 4518 B15R1.106 Cc1cccc(c1)CCOCCCCF 34a_100011995726_100011713685 [1,1,0,0,0,0|2,0,0]=4 4519 B15R1.106 Cc1cccc(c1)CCOCCCCF 7a_100011217157_100000729493 [1,1,0,0,0,0|2,0,0]=4 4520 B15R1.106 Cc1cccc(c1)CCOCCCCF 7a_100011995726_100011713685 [1,1,0,0,0,0|2,0,0]=4 4521 B15R1.106 Cc1cccc(c1)CCOCCCCI 34a_200012148704_100011713685 [1,1,0,0,0,0|2,0,0]=4 4522 B15R1.106 Cc1cccc(c1)CCOCCCCN 34a_100000750430_100011713685 [1,1,0,0,0,0|2,0,0]=4 4523 B15R1.106 Cc1cccc(c1)CCOCCCCO 34a_100011217157_100011216708 [1,1,0,0,0,0|2,0,0]=4 4524 B15R1.106 Cc1cccc(c1)CCOCCCCO 7a_100011217157_100000210776 [1,1,0,0,0,0|2,0,0]=4 4525 B15R1.106 ClCCCCOCCc1cccc(c1)Br 34a_100000210776_100011740638 [1,1,0,0,0,0|2,0,0]=4 4526 B15R1.106 ClCCCCOCCc1cccc(c1)Br 7a_100000210776_100011740638 [1,1,0,0,0,0|2,0,0]=4 4527 B15R1.106 ClCCCCOCCc1cccc(c1)Cl 34a_100000210776_100011713710 [1,1,0,0,0,0|2,0,0]=4 4528 B15R1.106 ClCCCCOCCc1cccc(c1)Cl 7a_100000210776_100011713710 [1,1,0,0,0,0|2,0,0]=4 4529 B15R1.106 Clc1cccc(c1)CCOCCCCBr 34a_100011216708_100011713710 [1,1,0,0,0,0|2,0,0]=4 4530 B15R1.106 Clc1cccc(c1)CCOCCCCI 34a_200012148704_100011713710 [1,1,0,0,0,0|2,0,0]=4 4531 B15R1.106 FCCCCOCCc1cccc(c1)Br 34a_100011217444_100000729493 [1,1,0,0,0,0|2,0,0]=4 4532 B15R1.106 FCCCCOCCc1cccc(c1)Br 34a_100011995726_100011740638 [1,1,0,0,0,0|2,0,0]=4 4533 B15R1.106 FCCCCOCCc1cccc(c1)Br 7a_100011217444_100000729493 [1,1,0,0,0,0|2,0,0]=4 4534 B15R1.106 FCCCCOCCc1cccc(c1)Br 7a_100011995726_100011740638 [1,1,0,0,0,0|2,0,0]=4 4535 B15R1.106 FCCCCOCCc1cccc(c1)Cl 34a_100000754733_100000729493 [1,1,0,0,0,0|2,0,0]=4 4536 B15R1.106 FCCCCOCCc1cccc(c1)Cl 34a_100011995726_100011713710 [1,1,0,0,0,0|2,0,0]=4 4537 B15R1.106 FCCCCOCCc1cccc(c1)Cl 7a_100000754733_100000729493 [1,1,0,0,0,0|2,0,0]=4 4538 B15R1.106 FCCCCOCCc1cccc(c1)Cl 7a_100011995726_100011713710 [1,1,0,0,0,0|2,0,0]=4 4539 B15R1.106 FCCCCOCCc1cccc(c1)F 34a_100000763591_100000729493 [1,1,0,0,0,0|2,0,0]=4 4540 B15R1.106 FCCCCOCCc1cccc(c1)F 34a_100011995726_100011217235 [1,1,0,0,0,0|2,0,0]=4 4541 B15R1.106 FCCCCOCCc1cccc(c1)F 7a_100000763591_100000729493 [1,1,0,0,0,0|2,0,0]=4 4542 B15R1.106 FCCCCOCCc1cccc(c1)F 7a_100011995726_100011217235 [1,1,0,0,0,0|2,0,0]=4 4543 B15R1.106 Fc1cccc(c1)CCOCCCCBr 34a_100011216708_100011217235 [1,1,0,0,0,0|2,0,0]=4 4544 B15R1.106 Fc1cccc(c1)CCOCCCCCl 34a_100000210776_100011217235 [1,1,0,0,0,0|2,0,0]=4 4545 B15R1.106 Fc1cccc(c1)CCOCCCCCl 7a_100000210776_100011217235 [1,1,0,0,0,0|2,0,0]=4 4546 B15R1.106 Fc1cccc(c1)CCOCCCCI 34a_200012148704_100011217235 [1,1,0,0,0,0|2,0,0]=4 4547 B15R1.106 NCCCCOCCc1cccc(c1)Br 34a_100000750430_100011740638 [1,1,0,0,0,0|2,0,0]=4 4548 B15R1.106 NCCCCOCCc1cccc(c1)Cl 34a_100000750430_100011713710 [1,1,0,0,0,0|2,0,0]=4 4549 B15R1.106 NCCCCOCCc1cccc(c1)F 34a_100000750430_100011217235 [1,1,0,0,0,0|2,0,0]=4 4550 B15R1.106 Nc1cccc(c1)CCOCCCCF 34a_100011996697_100000729493 [1,1,0,0,0,0|2,0,0]=4 4551 B15R1.106 Nc1cccc(c1)CCOCCCCO 34a_100011996697_100011216708 [1,1,0,0,0,0|2,0,0]=4 4552 B15R1.106 OCCCCOCCc1cccc(c1)Br 34a_100011217444_100011216708 [1,1,0,0,0,0|2,0,0]=4 4553 B15R1.106 OCCCCOCCc1cccc(c1)Br 7a_100011217444_100000210776 [1,1,0,0,0,0|2,0,0]=4 4554 B15R1.106 OCCCCOCCc1cccc(c1)Cl 34a_100000754733_100011216708 [1,1,0,0,0,0|2,0,0]=4 4555 B15R1.106 OCCCCOCCc1cccc(c1)Cl 7a_100000754733_100000210776 [1,1,0,0,0,0|2,0,0]=4 4556 B15R1.106 OCCCCOCCc1cccc(c1)F 34a_100000763591_100011216708 [1,1,0,0,0,0|2,0,0]=4 4557 B15R1.106 OCCCCOCCc1cccc(c1)F 7a_100000763591_100000210776 [1,1,0,0,0,0|2,0,0]=4 4558 B15R1.138 CC(COCCCCBr)c1ccccc1 34a_100011216708_100000756946 [1,1,0,0,0,0|2,0,0]=4 4559 B15R1.138 CC(COCCCCCl)c1ccccc1 34a_100000210776_100000756946 [1,1,0,0,0,0|2,0,0]=4 4560 B15R1.138 CC(COCCCCCl)c1ccccc1 7a_100000210776_100000756946 [1,1,0,0,0,0|2,0,0]=4 4561 B15R1.138 CC(COCCCCF)c1ccccc1 34a_100011215166_100000729493 [1,1,0,0,0,0|2,0,0]=4 4562 B15R1.138 CC(COCCCCF)c1ccccc1 34a_100011995726_100000756946 [1,1,0,0,0,0|2,0,0]=4 4563 B15R1.138 CC(COCCCCF)c1ccccc1 7a_100011215166_100000729493 [1,1,0,0,0,0|2,0,0]=4 4564 B15R1.138 CC(COCCCCF)c1ccccc1 7a_100011995726_100000756946 [1,1,0,0,0,0|2,0,0]=4 4565 B15R1.138 CC(COCCCCI)c1ccccc1 34a_200012148704_100000756946 [1,1,0,0,0,0|2,0,0]=4 4566 B15R1.138 CC(COCCCCN)c1ccccc1 34a_100000750430_100000756946 [1,1,0,0,0,0|2,0,0]=4 4567 B15R1.138 CC(COCCCCO)c1ccccc1 34a_100011215166_100011216708 [1,1,0,0,0,0|2,0,0]=4 4568 B15R1.138 CC(COCCCCO)c1ccccc1 7a_100011215166_100000210776 [1,1,0,0,0,0|2,0,0]=4 4569 B15R1.138 CC/C=C\COCC(C)c1ccccc1 34a_100011215166_100103147603 [1,1,0,0,0,0|1,0,1]=4 4570 B15R1.138 CC/C=C\COCC(C)c1ccccc1 34a_100016268518_100000756946 [1,1,0,0,0,0|1,0,1]=4 4571 B15R1.138 CC/C=C\COCC(C)c1ccccc1 7a_100011215166_100103147603 [1,1,0,0,0,0|1,0,1]=4 4572 B15R1.138 CC/C=C\COCC(O)c1ccccc1 34a_100016268518_100000185958 [1,1,0,0,0,0|1,0,1]=4 4573 B15R1.138 CC/C=C\COC[C@@H](N)c1ccccc1 34a_100000751927_100103147603 [1,1,0,0,0,0|1,0,1]=4 4574 B15R1.138 CC/C=C\COC[C@@H](O)c1ccccc1 34a_100016268518_100011933945 [1,1,0,0,0,0|1,0,1]=4 4575 B15R1.138 CCC#CCOCC(C)c1ccccc1 34a_100000032950_100000756946 [1,1,0,0,0,0|1,0,1]=4 4576 B15R1.138 CCC#CCOCC(C)c1ccccc1 34a_100011215166_100009813939 [1,1,0,0,0,0|1,0,1]=4 4577 B15R1.138 CCC#CCOCC(C)c1ccccc1 7a_100011215166_100009813939 [1,1,0,0,0,0|1,0,1]=4 4578 B15R1.138 CCC#CCOCC(O)c1ccccc1 34a_100000032950_100000185958 [1,1,0,0,0,0|1,0,1]=4 4579 B15R1.138 CCC#CCOC[C@@H](N)c1ccccc1 34a_100000751927_100009813939 [1,1,0,0,0,0|1,0,1]=4 4580 B15R1.138 CCC#CCOC[C@@H](O)c1ccccc1 34a_100000032950_100011933945 [1,1,0,0,0,0|1,0,1]=4 4581 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000209983_100000756946 [1,1,0,0,0,0|2,0,0]=4 4582 B15R1.138 CCCCCNCC(C)c1ccccc1 2230a_100000701038_100000210326 [1,1,0,0,0,0|2,0,0]=4 4583 B15R1.138 CCCCCNCC(C)c1ccccc1 270004a_100000209983_100000212034 [1,1,0,0,0,0|2,0,0]=4 4584 B15R1.138 CCCCCNCC(C)c1ccccc1 34a_100000701038_100000718602 [1,1,0,0,0,0|2,0,0]=4 4585 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000209983_100000185958 [1,1,0,0,0,0|2,0,0]=4 4586 B15R1.138 CCCCCNCC(O)c1ccccc1 2230a_100000210709_100000210326 [1,1,0,0,0,0|2,0,0]=4 4587 B15R1.138 CCCCCNC[C@@H](O)c1ccccc1 2230a_100000209983_100011933945 [1,1,0,0,0,0|2,0,0]=4 4588 B15R1.138 CCCCCOCC(=O)c1ccccc1 7a_100000210253_100000211460 [1,1,0,0,0,0|1,0,1]=4 4589 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100000210253_100000756946 [1,1,0,0,0,0|1,0,0]=3 4590 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100011215166_100000718602 [1,1,0,0,0,0|1,0,0]=3 4591 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100000210253_100000756946 [1,1,0,0,0,0|1,0,0]=3 4592 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100011215166_100000210326 [1,1,0,0,0,0|1,0,0]=3 4593 B15R1.138 CCCCCOCC(O)c1ccccc1 34a_100000210253_100000185958 [1,1,0,0,0,0|1,0,0]=3 4594 B15R1.138 CCCCCOCC(O)c1ccccc1 7a_100000210253_100000185958 [1,1,0,0,0,0|1,0,0]=3 4595 B15R1.138 CCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000718602 [1,1,0,0,0,0|1,0,0]=3 4596 B15R1.138 CCCCCOC[C@@H](N)c1ccncc1 34a_100138412524_100000718602 [1,1,0,0,0,0|2,0,0]=4 4597 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 34a_100000210253_100011933945 [1,1,0,0,0,0|1,0,0]=3 4598 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 7a_100000210253_100011933945 [1,1,0,0,0,0|1,0,0]=3 4599 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000210326_100000756946 [1,1,0,0,0,0|1,1,0]=4 4600 B15R1.138 CCCCCSCC(C)c1ccccc1 62a_100000756946_100000210326 [1,1,0,0,0,0|1,1,0]=4 4601 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000185958_100000210326 [1,1,0,0,0,0|1,1,0]=4 4602 B15R1.138 CCCCCSCC(O)c1ccccc1 62a_100000210326_100000185958 [1,1,0,0,0,0|1,1,0]=4 4603 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100000210326_100011933945 [1,1,0,0,0,0|1,1,0]=4 4604 B15R1.138 CCCCCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210326 [1,1,0,0,0,0|1,1,0]=4 4605 B15R1.138 CCCOCCCC(N)c1ccccc1 34a_100000759318_100000210303 [1,1,0,0,0,0|1,0,0]=3 4606 B15R1.138 CCCOCCNC(C)c1ccccc1 2230a_100161115042_100000230085 [1,1,0,0,0,0|2,0,0]=4 4607 B15R1.138 CCCOCCNC(C)c1ccccc1 269862a_100161115042_100000185851 [1,1,0,0,0,0|2,0,0]=4 4608 B15R1.138 CCCOCCNC(C)c1ccccc1 34a_100161115042_100000211855 [1,1,0,0,0,0|2,0,0]=4 4609 B15R1.138 CCCOCCN[C@H](C)c1ccccc1 2230a_100000751104_100011215938 [1,1,0,0,0,0|2,0,0]=4 4610 B15R1.138 CCCOCCOC(C)c1ccccc1 34a_100000752267_100000211855 [1,1,0,0,0,0|2,0,0]=4 4611 B15R1.138 CCCOCCOC(C)c1ccccc1 7a_100000752267_100000230085 [1,1,0,0,0,0|2,0,0]=4 4612 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100011215938 [1,1,0,0,0,0|2,0,0]=4 4613 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215938 [1,1,0,0,0,0|2,0,0]=4 4614 B15R1.138 CCCOCCSC(C)c1ccccc1 62a_100000230085_100011215938 [1,1,0,0,0,0|2,0,0]=4 4615 B15R1.138 CCCOCCSC(C)c1ccccc1 62a_100011215938_100000230085 [1,1,0,0,0,0|2,0,0]=4 4616 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100000210136_100000756946 [1,1,0,0,0,0|2,0,0]=4 4617 B15R1.138 CCOCCOCC(C)c1ccccc1 34a_100011215166_100000210147 [1,1,0,0,0,0|2,0,0]=4 4618 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100000210136_100000756946 [1,1,0,0,0,0|2,0,0]=4 4619 B15R1.138 CCOCCOCC(C)c1ccccc1 7a_100011215166_100011215890 [1,1,0,0,0,0|2,0,0]=4 4620 B15R1.138 CCOCCOCC(O)c1ccccc1 34a_100000210136_100000185958 [1,1,0,0,0,0|2,0,0]=4 4621 B15R1.138 CCOCCOCC(O)c1ccccc1 7a_100000210136_100000185958 [1,1,0,0,0,0|2,0,0]=4 4622 B15R1.138 CCOCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210147 [1,1,0,0,0,0|2,0,0]=4 4623 B15R1.138 CCOCCOC[C@@H](O)c1ccccc1 34a_100000210136_100011933945 [1,1,0,0,0,0|2,0,0]=4 4624 B15R1.138 CCOCCOC[C@@H](O)c1ccccc1 7a_100000210136_100011933945 [1,1,0,0,0,0|2,0,0]=4 4625 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100000212035_100000756946 [1,1,0,0,0,0|2,0,0]=4 4626 B15R1.138 CCSCCOCC(C)c1ccccc1 34a_100011215166_100000757381 [1,1,0,0,0,0|2,0,0]=4 4627 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100000212035_100000756946 [1,1,0,0,0,0|2,0,0]=4 4628 B15R1.138 CCSCCOCC(C)c1ccccc1 7a_100011215166_100000757381 [1,1,0,0,0,0|2,0,0]=4 4629 B15R1.138 CCSCCOCC(O)c1ccccc1 34a_100000212035_100000185958 [1,1,0,0,0,0|2,0,0]=4 4630 B15R1.138 CCSCCOCC(O)c1ccccc1 7a_100000212035_100000185958 [1,1,0,0,0,0|2,0,0]=4 4631 B15R1.138 CCSCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000757381 [1,1,0,0,0,0|2,0,0]=4 4632 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 34a_100000212035_100011933945 [1,1,0,0,0,0|2,0,0]=4 4633 B15R1.138 CCSCCOC[C@@H](O)c1ccccc1 7a_100000212035_100011933945 [1,1,0,0,0,0|2,0,0]=4 4634 B15R1.138 CNCCCOCC(C)c1ccccc1 34a_100000213112_100000756946 [1,1,0,0,0,0|2,0,0]=4 4635 B15R1.138 CNCCCOCC(O)c1ccccc1 34a_100000213112_100000185958 [1,1,0,0,0,0|2,0,0]=4 4636 B15R1.138 CNCCCOC[C@@H](O)c1ccccc1 34a_100000213112_100011933945 [1,1,0,0,0,0|2,0,0]=4 4637 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100000740835_100000756946 [1,1,0,0,0,0|2,0,0]=4 4638 B15R1.138 COCCCOCC(C)c1ccccc1 34a_100011215166_100000740836 [1,1,0,0,0,0|2,0,0]=4 4639 B15R1.138 COCCCOCC(C)c1ccccc1 7a_100011215166_100000740836 [1,1,0,0,0,0|2,0,0]=4 4640 B15R1.138 COCCCOCC(O)c1ccccc1 34a_100000740835_100000185958 [1,1,0,0,0,0|2,0,0]=4 4641 B15R1.138 COCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000740836 [1,1,0,0,0,0|2,0,0]=4 4642 B15R1.138 COCCCOC[C@@H](O)c1ccccc1 34a_100000740835_100011933945 [1,1,0,0,0,0|2,0,0]=4 4643 B15R1.138 CSCCCOCC(C)c1ccccc1 34a_100000690336_100000756946 [1,1,0,0,0,0|2,0,0]=4 4644 B15R1.138 CSCCCOCC(C)c1ccccc1 7a_100000690336_100000756946 [1,1,0,0,0,0|2,0,0]=4 4645 B15R1.138 CSCCCOCC(O)c1ccccc1 34a_100000690336_100000185958 [1,1,0,0,0,0|2,0,0]=4 4646 B15R1.138 CSCCCOCC(O)c1ccccc1 7a_100000690336_100000185958 [1,1,0,0,0,0|2,0,0]=4 4647 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 34a_100000690336_100011933945 [1,1,0,0,0,0|2,0,0]=4 4648 B15R1.138 CSCCCOC[C@@H](O)c1ccccc1 7a_100000690336_100011933945 [1,1,0,0,0,0|2,0,0]=4 4649 B15R1.138 CSCOCCCC(N)c1ccccc1 34a_100000759318_100011218213 [1,1,0,0,0,0|2,0,0]=4 4650 B15R1.138 NC(CCCOCCF)c1ccccc1 34a_100000759318_100011217306 [1,1,0,0,0,0|2,0,0]=4 4651 B15R1.138 NC(CCCOCCO)c1ccccc1 34a_100000759318_100000211926 [1,1,0,0,0,0|2,0,0]=4 4652 B15R1.138 NCCCCOCC(O)c1ccccc1 34a_100000750430_100000185958 [1,1,0,0,0,0|2,0,0]=4 4653 B15R1.138 NCCCCOC[C@@H](O)c1ccccc1 34a_100000750430_100011933945 [1,1,0,0,0,0|2,0,0]=4 4654 B15R1.138 N[C@H](COCCCCF)c1ccccc1 34a_100000751927_100000729493 [1,1,0,0,0,0|2,0,0]=4 4655 B15R1.138 N[C@H](COCCCCO)c1ccccc1 34a_100000751927_100011216708 [1,1,0,0,0,0|2,0,0]=4 4656 B15R1.138 OC(COCCCCBr)c1ccccc1 34a_100011216708_100000185958 [1,1,0,0,0,0|2,0,0]=4 4657 B15R1.138 OC(COCCCCCl)c1ccccc1 34a_100000210776_100000185958 [1,1,0,0,0,0|2,0,0]=4 4658 B15R1.138 OC(COCCCCCl)c1ccccc1 7a_100000210776_100000185958 [1,1,0,0,0,0|2,0,0]=4 4659 B15R1.138 OC(COCCCCF)c1ccccc1 34a_100011995726_100000185958 [1,1,0,0,0,0|2,0,0]=4 4660 B15R1.138 OC(COCCCCF)c1ccccc1 7a_100011995726_100000185958 [1,1,0,0,0,0|2,0,0]=4 4661 B15R1.138 OC(COCCCCI)c1ccccc1 34a_200012148704_100000185958 [1,1,0,0,0,0|2,0,0]=4 4662 B15R1.138 O[C@H](COCCCCBr)c1ccccc1 34a_100011216708_100011933945 [1,1,0,0,0,0|2,0,0]=4 4663 B15R1.138 O[C@H](COCCCCCl)c1ccccc1 34a_100000210776_100011933945 [1,1,0,0,0,0|2,0,0]=4 4664 B15R1.138 O[C@H](COCCCCCl)c1ccccc1 7a_100000210776_100011933945 [1,1,0,0,0,0|2,0,0]=4 4665 B15R1.138 O[C@H](COCCCCF)c1ccccc1 34a_100011995726_100011933945 [1,1,0,0,0,0|2,0,0]=4 4666 B15R1.138 O[C@H](COCCCCF)c1ccccc1 7a_100011995726_100011933945 [1,1,0,0,0,0|2,0,0]=4 4667 B15R1.138 O[C@H](COCCCCI)c1ccccc1 34a_200012148704_100011933945 [1,1,0,0,0,0|2,0,0]=4 4668 B15R1.220 BrCCCCOCCc1ccccc1Br 34a_100011216708_100012161201 [1,1,0,0,0,0|2,0,0]=4 4669 B15R1.220 Brc1ccccc1CCOCCCCI 34a_200012148704_100012161201 [1,1,0,0,0,0|2,0,0]=4 4670 B15R1.220 CC/C=C\COCCc1ccccc1Br 34a_100000731337_100103147603 [1,1,0,0,0,0|1,0,1]=4 4671 B15R1.220 CC/C=C\COCCc1ccccc1Br 34a_100016268518_100012161201 [1,1,0,0,0,0|1,0,1]=4 4672 B15R1.220 CC/C=C\COCCc1ccccc1Br 7a_100000731337_100103147603 [1,1,0,0,0,0|1,0,1]=4 4673 B15R1.220 CC/C=C\COCCc1ccccc1C 34a_100011220023_100103147603 [1,1,0,0,0,0|1,0,1]=4 4674 B15R1.220 CC/C=C\COCCc1ccccc1C 34a_100016268518_100011713688 [1,1,0,0,0,0|1,0,1]=4 4675 B15R1.220 CC/C=C\COCCc1ccccc1C 7a_100011220023_100103147603 [1,1,0,0,0,0|1,0,1]=4 4676 B15R1.220 CC/C=C\COCCc1ccccc1Cl 34a_100011215284_100103147603 [1,1,0,0,0,0|1,0,1]=4 4677 B15R1.220 CC/C=C\COCCc1ccccc1Cl 34a_100016268518_100011713703 [1,1,0,0,0,0|1,0,1]=4 4678 B15R1.220 CC/C=C\COCCc1ccccc1Cl 7a_100011215284_100103147603 [1,1,0,0,0,0|1,0,1]=4 4679 B15R1.220 CC/C=C\COCCc1ccccc1F 34a_100000753711_100103147603 [1,1,0,0,0,0|1,0,1]=4 4680 B15R1.220 CC/C=C\COCCc1ccccc1F 34a_100016268518_100000720011 [1,1,0,0,0,0|1,0,1]=4 4681 B15R1.220 CC/C=C\COCCc1ccccc1F 7a_100000753711_100103147603 [1,1,0,0,0,0|1,0,1]=4 4682 B15R1.220 CC/C=C\COCCc1ccccc1I 34a_100010255290_100103147603 [1,1,0,0,0,0|1,0,1]=4 4683 B15R1.220 CC/C=C\COCCc1ccccc1I 7a_100010255290_100103147603 [1,1,0,0,0,0|1,0,1]=4 4684 B15R1.220 CC/C=C\COCCc1ccccc1N 34a_100011215289_100103147603 [1,1,0,0,0,0|1,0,1]=4 4685 B15R1.220 CC/C=C\COCCc1ccccc1O 34a_100016268518_100000722297 [1,1,0,0,0,0|1,0,1]=4 4686 B15R1.220 CCC#CCOCCc1ccccc1Br 34a_100000032950_100012161201 [1,1,0,0,0,0|1,0,1]=4 4687 B15R1.220 CCC#CCOCCc1ccccc1Br 34a_100000731337_100009813939 [1,1,0,0,0,0|1,0,1]=4 4688 B15R1.220 CCC#CCOCCc1ccccc1Br 7a_100000731337_100009813939 [1,1,0,0,0,0|1,0,1]=4 4689 B15R1.220 CCC#CCOCCc1ccccc1C 34a_100000032950_100011713688 [1,1,0,0,0,0|1,0,1]=4 4690 B15R1.220 CCC#CCOCCc1ccccc1C 34a_100011220023_100009813939 [1,1,0,0,0,0|1,0,1]=4 4691 B15R1.220 CCC#CCOCCc1ccccc1C 7a_100011220023_100009813939 [1,1,0,0,0,0|1,0,1]=4 4692 B15R1.220 CCC#CCOCCc1ccccc1Cl 34a_100000032950_100011713703 [1,1,0,0,0,0|1,0,1]=4 4693 B15R1.220 CCC#CCOCCc1ccccc1Cl 34a_100011215284_100009813939 [1,1,0,0,0,0|1,0,1]=4 4694 B15R1.220 CCC#CCOCCc1ccccc1Cl 7a_100011215284_100009813939 [1,1,0,0,0,0|1,0,1]=4 4695 B15R1.220 CCC#CCOCCc1ccccc1F 34a_100000032950_100000720011 [1,1,0,0,0,0|1,0,1]=4 4696 B15R1.220 CCC#CCOCCc1ccccc1F 34a_100000753711_100009813939 [1,1,0,0,0,0|1,0,1]=4 4697 B15R1.220 CCC#CCOCCc1ccccc1F 7a_100000753711_100009813939 [1,1,0,0,0,0|1,0,1]=4 4698 B15R1.220 CCC#CCOCCc1ccccc1I 34a_100010255290_100009813939 [1,1,0,0,0,0|1,0,1]=4 4699 B15R1.220 CCC#CCOCCc1ccccc1I 7a_100010255290_100009813939 [1,1,0,0,0,0|1,0,1]=4 4700 B15R1.220 CCC#CCOCCc1ccccc1N 34a_100011215289_100009813939 [1,1,0,0,0,0|1,0,1]=4 4701 B15R1.220 CCC#CCOCCc1ccccc1O 34a_100000032950_100000722297 [1,1,0,0,0,0|1,0,1]=4 4702 B15R1.220 CCCCCNCCc1ccccc1Br 2230a_100000209983_100012161201 [1,1,0,0,0,0|2,0,0]=4 4703 B15R1.220 CCCCCNCCc1ccccc1Br 2230a_100000747383_100000210326 [1,1,0,0,0,0|2,0,0]=4 4704 B15R1.220 CCCCCNCCc1ccccc1Br 34a_100000747383_100000718602 [1,1,0,0,0,0|2,0,0]=4 4705 B15R1.220 CCCCCNCCc1ccccc1C 2230a_100000209983_100011713688 [1,1,0,0,0,0|2,0,0]=4 4706 B15R1.220 CCCCCNCCc1ccccc1C 2230a_100000685071_100000210326 [1,1,0,0,0,0|2,0,0]=4 4707 B15R1.220 CCCCCNCCc1ccccc1C 34a_100000685071_100000718602 [1,1,0,0,0,0|2,0,0]=4 4708 B15R1.220 CCCCCNCCc1ccccc1Cl 2230a_100000209983_100011713703 [1,1,0,0,0,0|2,0,0]=4 4709 B15R1.220 CCCCCNCCc1ccccc1Cl 2230a_100011207228_100000210326 [1,1,0,0,0,0|2,0,0]=4 4710 B15R1.220 CCCCCNCCc1ccccc1Cl 270004a_100000209983_200011713468 [1,1,0,0,0,0|2,0,0]=4 4711 B15R1.220 CCCCCNCCc1ccccc1Cl 34a_100011207228_100000718602 [1,1,0,0,0,0|2,0,0]=4 4712 B15R1.220 CCCCCNCCc1ccccc1F 2230a_100000185272_100000210326 [1,1,0,0,0,0|2,0,0]=4 4713 B15R1.220 CCCCCNCCc1ccccc1F 2230a_100000209983_100011713696 [1,1,0,0,0,0|2,0,0]=4 4714 B15R1.220 CCCCCNCCc1ccccc1F 34a_100000185272_100000718602 [1,1,0,0,0,0|2,0,0]=4 4715 B15R1.220 CCCCCNCCc1ccccc1O 34a_100011207237_100000718602 [1,1,0,0,0,0|2,0,0]=4 4716 B15R1.220 CCCCCOCCc1ccccc1Br 34a_100000210253_100012161201 [1,1,0,0,0,0|1,0,0]=3 4717 B15R1.220 CCCCCOCCc1ccccc1Br 34a_100000731337_100000718602 [1,1,0,0,0,0|1,0,0]=3 4718 B15R1.220 CCCCCOCCc1ccccc1Br 7a_100000210253_100012161201 [1,1,0,0,0,0|1,0,0]=3 4719 B15R1.220 CCCCCOCCc1ccccc1Br 7a_100000731337_100000210326 [1,1,0,0,0,0|1,0,0]=3 4720 B15R1.220 CCCCCOCCc1ccccc1C 34a_100000210253_100011713688 [1,1,0,0,0,0|1,0,0]=3 4721 B15R1.220 CCCCCOCCc1ccccc1C 34a_100011220023_100000718602 [1,1,0,0,0,0|1,0,0]=3 4722 B15R1.220 CCCCCOCCc1ccccc1C 7a_100000210253_100011713688 [1,1,0,0,0,0|1,0,0]=3 4723 B15R1.220 CCCCCOCCc1ccccc1C 7a_100011220023_100000210326 [1,1,0,0,0,0|1,0,0]=3 4724 B15R1.220 CCCCCOCCc1ccccc1Cl 34a_100000210253_100011713703 [1,1,0,0,0,0|1,0,0]=3 4725 B15R1.220 CCCCCOCCc1ccccc1Cl 34a_100011215284_100000718602 [1,1,0,0,0,0|1,0,0]=3 4726 B15R1.220 CCCCCOCCc1ccccc1Cl 7a_100000210253_100011713703 [1,1,0,0,0,0|1,0,0]=3 4727 B15R1.220 CCCCCOCCc1ccccc1Cl 7a_100011215284_100000210326 [1,1,0,0,0,0|1,0,0]=3 4728 B15R1.220 CCCCCOCCc1ccccc1F 34a_100000210253_100000720011 [1,1,0,0,0,0|1,0,0]=3 4729 B15R1.220 CCCCCOCCc1ccccc1F 34a_100000753711_100000718602 [1,1,0,0,0,0|1,0,0]=3 4730 B15R1.220 CCCCCOCCc1ccccc1F 7a_100000210253_100000720011 [1,1,0,0,0,0|1,0,0]=3 4731 B15R1.220 CCCCCOCCc1ccccc1F 7a_100000753711_100000210326 [1,1,0,0,0,0|1,0,0]=3 4732 B15R1.220 CCCCCOCCc1ccccc1I 34a_100010255290_100000718602 [1,1,0,0,0,0|1,0,0]=3 4733 B15R1.220 CCCCCOCCc1ccccc1I 7a_100010255290_100000210326 [1,1,0,0,0,0|1,0,0]=3 4734 B15R1.220 CCCCCOCCc1ccccc1N 34a_100011215289_100000718602 [1,1,0,0,0,0|1,0,0]=3 4735 B15R1.220 CCCCCOCCc1ccccc1O 34a_100000210253_100000722297 [1,1,0,0,0,0|1,0,0]=3 4736 B15R1.220 CCCCCOCCc1ccccc1O 7a_100000210253_100000722297 [1,1,0,0,0,0|1,0,0]=3 4737 B15R1.220 CCCCCOCCc1ncccc1C 34a_100011997706_100000718602 [1,1,0,0,0,0|2,0,0]=4 4738 B15R1.220 CCCCCOCCc1ncccc1C 7a_100011997706_100000210326 [1,1,0,0,0,0|2,0,0]=4 4739 B15R1.220 CCCCCSCCc1ccccc1Br 62a_100000210326_100012161201 [1,1,0,0,0,0|1,1,0]=4 4740 B15R1.220 CCCCCSCCc1ccccc1Br 62a_100012161201_100000210326 [1,1,0,0,0,0|1,1,0]=4 4741 B15R1.220 CCCCCSCCc1ccccc1C 62a_100000210326_100011713688 [1,1,0,0,0,0|1,1,0]=4 4742 B15R1.220 CCCCCSCCc1ccccc1C 62a_100011713688_100000210326 [1,1,0,0,0,0|1,1,0]=4 4743 B15R1.220 CCCCCSCCc1ccccc1Cl 62a_100000210326_100011713703 [1,1,0,0,0,0|1,1,0]=4 4744 B15R1.220 CCCCCSCCc1ccccc1Cl 62a_100011713703_100000210326 [1,1,0,0,0,0|1,1,0]=4 4745 B15R1.220 CCCCCSCCc1ccccc1F 62a_100000210326_100011713696 [1,1,0,0,0,0|1,1,0]=4 4746 B15R1.220 CCCCCSCCc1ccccc1F 62a_100011713696_100000210326 [1,1,0,0,0,0|1,1,0]=4 4747 B15R1.220 CCCCCSCCc1ccccc1O 62a_100000210326_100000722297 [1,1,0,0,0,0|1,1,0]=4 4748 B15R1.220 CCCCCSCCc1ccccc1O 62a_100000722297_100000210326 [1,1,0,0,0,0|1,1,0]=4 4749 B15R1.220 CCCOCCCCc1ccccc1Br 34a_100012092669_100000210303 [1,1,0,0,0,0|1,0,0]=3 4750 B15R1.220 CCCOCCCCc1ccccc1Br 7a_100012092669_100000210303 [1,1,0,0,0,0|1,0,0]=3 4751 B15R1.220 CCCOCCCOc1ccccc1Br 34a_100000210258_200011259276 [1,1,0,0,0,0|2,0,0]=4 4752 B15R1.220 CCCOCCCOc1ccccc1C 34a_100000210258_100000742659 [1,1,0,0,0,0|2,0,0]=4 4753 B15R1.220 CCCOCCCOc1ccccc1Cl 34a_100000230521_100000210303 [1,1,0,0,0,0|2,0,0]=4 4754 B15R1.220 CCCOCCCOc1ccccc1Cl 7a_100000230521_100000210303 [1,1,0,0,0,0|2,0,0]=4 4755 B15R1.220 CCCOCCCOc1ccccc1F 34a_100000210258_100011203253 [1,1,0,0,0,0|2,0,0]=4 4756 B15R1.220 CCCOCCCSc1ccccc1Cl 34a_100000210258_100000750589 [1,1,0,0,0,0|2,0,0]=4 4757 B15R1.220 CCCOCCNCc1ccccc1Br 207a_100161115042_100000211189 [1,1,0,0,0,0|2,0,0]=4 4758 B15R1.220 CCCOCCNCc1ccccc1Br 2230a_100000689332_100011215938 [1,1,0,0,0,0|2,0,0]=4 4759 B15R1.220 CCCOCCNCc1ccccc1Br 2230a_100161115042_100000184730 [1,1,0,0,0,0|2,0,0]=4 4760 B15R1.220 CCCOCCNCc1ccccc1Br 270004a_100161115042_100000211189 [1,1,0,0,0,0|2,0,0]=4 4761 B15R1.220 CCCOCCNCc1ccccc1Br 34a_100000689332_100011215938 [1,1,0,0,0,0|2,0,0]=4 4762 B15R1.220 CCCOCCNCc1ccccc1Br 34a_100161115042_100000184730 [1,1,0,0,0,0|2,0,0]=4 4763 B15R1.220 CCCOCCNCc1ccccc1Br 34a_106744479749_100000210303 [1,1,0,0,0,0|2,0,0]=4 4764 B15R1.220 CCCOCCNCc1ccccc1C 207a_100161115042_100000211143 [1,1,0,0,0,0|2,0,0]=4 4765 B15R1.220 CCCOCCNCc1ccccc1C 2230a_100161115042_100000211839 [1,1,0,0,0,0|2,0,0]=4 4766 B15R1.220 CCCOCCNCc1ccccc1C 270004a_100161115042_100000211143 [1,1,0,0,0,0|2,0,0]=4 4767 B15R1.220 CCCOCCNCc1ccccc1C 34a_100000174972_100011215938 [1,1,0,0,0,0|2,0,0]=4 4768 B15R1.220 CCCOCCNCc1ccccc1C 34a_100161115042_100000211839 [1,1,0,0,0,0|2,0,0]=4 4769 B15R1.220 CCCOCCNCc1ccccc1Cl 207a_100161115042_100000210073 [1,1,0,0,0,0|2,0,0]=4 4770 B15R1.220 CCCOCCNCc1ccccc1Cl 2230a_100000174879_100011215938 [1,1,0,0,0,0|2,0,0]=4 4771 B15R1.220 CCCOCCNCc1ccccc1Cl 2230a_100161115042_100000187162 [1,1,0,0,0,0|2,0,0]=4 4772 B15R1.220 CCCOCCNCc1ccccc1Cl 270004a_100161115042_100000210073 [1,1,0,0,0,0|2,0,0]=4 4773 B15R1.220 CCCOCCNCc1ccccc1Cl 34a_100000174879_100011215938 [1,1,0,0,0,0|2,0,0]=4 4774 B15R1.220 CCCOCCNCc1ccccc1Cl 34a_100015187164_100000210303 [1,1,0,0,0,0|2,0,0]=4 4775 B15R1.220 CCCOCCNCc1ccccc1Cl 34a_100161115042_100000187162 [1,1,0,0,0,0|2,0,0]=4 4776 B15R1.220 CCCOCCNCc1ccccc1F 207a_100161115042_100000210811 [1,1,0,0,0,0|2,0,0]=4 4777 B15R1.220 CCCOCCNCc1ccccc1F 2230a_100161115042_100000211605 [1,1,0,0,0,0|2,0,0]=4 4778 B15R1.220 CCCOCCNCc1ccccc1F 270004a_100161115042_100000210811 [1,1,0,0,0,0|2,0,0]=4 4779 B15R1.220 CCCOCCNCc1ccccc1F 34a_100000174869_100011215938 [1,1,0,0,0,0|2,0,0]=4 4780 B15R1.220 CCCOCCNCc1ccccc1F 34a_100161115042_100000211605 [1,1,0,0,0,0|2,0,0]=4 4781 B15R1.220 CCCOCCNCc1ccccc1I 207a_100161115042_100000010305 [1,1,0,0,0,0|2,0,0]=4 4782 B15R1.220 CCCOCCNCc1ccccc1I 2230a_100161115042_100011215278 [1,1,0,0,0,0|2,0,0]=4 4783 B15R1.220 CCCOCCNCc1ccccc1I 270004a_100161115042_100000010305 [1,1,0,0,0,0|2,0,0]=4 4784 B15R1.220 CCCOCCNCc1ccccc1I 34a_100161115042_100011215278 [1,1,0,0,0,0|2,0,0]=4 4785 B15R1.220 CCCOCCNCc1ccccc1O 34a_100000185550_100011215938 [1,1,0,0,0,0|2,0,0]=4 4786 B15R1.220 CCCOCCOCc1ccccc1Br 34a_100000752267_100000184730 [1,1,0,0,0,0|2,0,0]=4 4787 B15R1.220 CCCOCCOCc1ccccc1Br 34a_100000756307_100011215938 [1,1,0,0,0,0|2,0,0]=4 4788 B15R1.220 CCCOCCOCc1ccccc1Br 7a_100000752267_100000184730 [1,1,0,0,0,0|2,0,0]=4 4789 B15R1.220 CCCOCCOCc1ccccc1Br 7a_100000756307_100011215938 [1,1,0,0,0,0|2,0,0]=4 4790 B15R1.220 CCCOCCOCc1ccccc1C 34a_100000698903_100011215938 [1,1,0,0,0,0|2,0,0]=4 4791 B15R1.220 CCCOCCOCc1ccccc1C 34a_100000752267_100000211839 [1,1,0,0,0,0|2,0,0]=4 4792 B15R1.220 CCCOCCOCc1ccccc1C 7a_100000698903_100011215938 [1,1,0,0,0,0|2,0,0]=4 4793 B15R1.220 CCCOCCOCc1ccccc1C 7a_100000752267_100000211839 [1,1,0,0,0,0|2,0,0]=4 4794 B15R1.220 CCCOCCOCc1ccccc1Cl 34a_100000210847_100011215938 [1,1,0,0,0,0|2,0,0]=4 4795 B15R1.220 CCCOCCOCc1ccccc1Cl 34a_100000752267_100000187162 [1,1,0,0,0,0|2,0,0]=4 4796 B15R1.220 CCCOCCOCc1ccccc1Cl 7a_100000210847_100011215938 [1,1,0,0,0,0|2,0,0]=4 4797 B15R1.220 CCCOCCOCc1ccccc1Cl 7a_100000752267_100000187162 [1,1,0,0,0,0|2,0,0]=4 4798 B15R1.220 CCCOCCOCc1ccccc1F 34a_100000211962_100011215938 [1,1,0,0,0,0|2,0,0]=4 4799 B15R1.220 CCCOCCOCc1ccccc1F 34a_100000752267_100000211605 [1,1,0,0,0,0|2,0,0]=4 4800 B15R1.220 CCCOCCOCc1ccccc1F 7a_100000211962_100011215938 [1,1,0,0,0,0|2,0,0]=4 4801 B15R1.220 CCCOCCOCc1ccccc1F 7a_100000752267_100000211605 [1,1,0,0,0,0|2,0,0]=4 4802 B15R1.220 CCCOCCOCc1ccccc1I 34a_100000187465_100011215938 [1,1,0,0,0,0|2,0,0]=4 4803 B15R1.220 CCCOCCOCc1ccccc1I 34a_100000752267_100011215278 [1,1,0,0,0,0|2,0,0]=4 4804 B15R1.220 CCCOCCOCc1ccccc1I 7a_100000187465_100011215938 [1,1,0,0,0,0|2,0,0]=4 4805 B15R1.220 CCCOCCOCc1ccccc1I 7a_100000752267_100011215278 [1,1,0,0,0,0|2,0,0]=4 4806 B15R1.220 CCCOCCOCc1ccccc1N 34a_100000212039_100011215938 [1,1,0,0,0,0|2,0,0]=4 4807 B15R1.220 CCCOCCSCc1ccccc1Br 62a_100000184730_100011215938 [1,1,0,0,0,0|2,0,0]=4 4808 B15R1.220 CCCOCCSCc1ccccc1Br 62a_100011215938_100000184730 [1,1,0,0,0,0|2,0,0]=4 4809 B15R1.220 CCCOCCSCc1ccccc1C 62a_100000211839_100011215938 [1,1,0,0,0,0|2,0,0]=4 4810 B15R1.220 CCCOCCSCc1ccccc1C 62a_100011215938_100000211839 [1,1,0,0,0,0|2,0,0]=4 4811 B15R1.220 CCCOCCSCc1ccccc1Cl 62a_100000187162_100011215938 [1,1,0,0,0,0|2,0,0]=4 4812 B15R1.220 CCCOCCSCc1ccccc1Cl 62a_100011215938_100000187162 [1,1,0,0,0,0|2,0,0]=4 4813 B15R1.220 CCCOCCSCc1ccccc1F 62a_100000211605_100011215938 [1,1,0,0,0,0|2,0,0]=4 4814 B15R1.220 CCCOCCSCc1ccccc1F 62a_100011215938_100000211605 [1,1,0,0,0,0|2,0,0]=4 4815 B15R1.220 CCCOCCSCc1ccccc1I 62a_100011215938_100011216222 [1,1,0,0,0,0|2,0,0]=4 4816 B15R1.220 CCCOCCSCc1ccccc1I 62a_100011216222_100011215938 [1,1,0,0,0,0|2,0,0]=4 4817 B15R1.220 CCOCCOCCc1ccccc1Br 34a_100000210136_100012161201 [1,1,0,0,0,0|2,0,0]=4 4818 B15R1.220 CCOCCOCCc1ccccc1Br 34a_100000731337_100000210147 [1,1,0,0,0,0|2,0,0]=4 4819 B15R1.220 CCOCCOCCc1ccccc1Br 7a_100000210136_100012161201 [1,1,0,0,0,0|2,0,0]=4 4820 B15R1.220 CCOCCOCCc1ccccc1Br 7a_100000731337_100011215890 [1,1,0,0,0,0|2,0,0]=4 4821 B15R1.220 CCOCCOCCc1ccccc1C 34a_100000210136_100011713688 [1,1,0,0,0,0|2,0,0]=4 4822 B15R1.220 CCOCCOCCc1ccccc1C 34a_100011220023_100000210147 [1,1,0,0,0,0|2,0,0]=4 4823 B15R1.220 CCOCCOCCc1ccccc1C 7a_100000210136_100011713688 [1,1,0,0,0,0|2,0,0]=4 4824 B15R1.220 CCOCCOCCc1ccccc1C 7a_100011220023_100011215890 [1,1,0,0,0,0|2,0,0]=4 4825 B15R1.220 CCOCCOCCc1ccccc1Cl 34a_100000210136_100011713703 [1,1,0,0,0,0|2,0,0]=4 4826 B15R1.220 CCOCCOCCc1ccccc1Cl 34a_100011215284_100000210147 [1,1,0,0,0,0|2,0,0]=4 4827 B15R1.220 CCOCCOCCc1ccccc1Cl 7a_100000210136_100011713703 [1,1,0,0,0,0|2,0,0]=4 4828 B15R1.220 CCOCCOCCc1ccccc1Cl 7a_100011215284_100011215890 [1,1,0,0,0,0|2,0,0]=4 4829 B15R1.220 CCOCCOCCc1ccccc1F 34a_100000210136_100000720011 [1,1,0,0,0,0|2,0,0]=4 4830 B15R1.220 CCOCCOCCc1ccccc1F 34a_100000753711_100000210147 [1,1,0,0,0,0|2,0,0]=4 4831 B15R1.220 CCOCCOCCc1ccccc1F 7a_100000210136_100000720011 [1,1,0,0,0,0|2,0,0]=4 4832 B15R1.220 CCOCCOCCc1ccccc1F 7a_100000753711_100011215890 [1,1,0,0,0,0|2,0,0]=4 4833 B15R1.220 CCOCCOCCc1ccccc1I 34a_100010255290_100000210147 [1,1,0,0,0,0|2,0,0]=4 4834 B15R1.220 CCOCCOCCc1ccccc1I 7a_100010255290_100011215890 [1,1,0,0,0,0|2,0,0]=4 4835 B15R1.220 CCOCCOCCc1ccccc1N 34a_100011215289_100000210147 [1,1,0,0,0,0|2,0,0]=4 4836 B15R1.220 CCOCCOCCc1ccccc1O 34a_100000210136_100000722297 [1,1,0,0,0,0|2,0,0]=4 4837 B15R1.220 CCOCCOCCc1ccccc1O 7a_100000210136_100000722297 [1,1,0,0,0,0|2,0,0]=4 4838 B15R1.220 CCSCCOCCc1ccccc1Br 34a_100000212035_100012161201 [1,1,0,0,0,0|2,0,0]=4 4839 B15R1.220 CCSCCOCCc1ccccc1Br 34a_100000731337_100000757381 [1,1,0,0,0,0|2,0,0]=4 4840 B15R1.220 CCSCCOCCc1ccccc1Br 7a_100000212035_100012161201 [1,1,0,0,0,0|2,0,0]=4 4841 B15R1.220 CCSCCOCCc1ccccc1Br 7a_100000731337_100000757381 [1,1,0,0,0,0|2,0,0]=4 4842 B15R1.220 CCSCCOCCc1ccccc1C 34a_100000212035_100011713688 [1,1,0,0,0,0|2,0,0]=4 4843 B15R1.220 CCSCCOCCc1ccccc1C 34a_100011220023_100000757381 [1,1,0,0,0,0|2,0,0]=4 4844 B15R1.220 CCSCCOCCc1ccccc1C 7a_100000212035_100011713688 [1,1,0,0,0,0|2,0,0]=4 4845 B15R1.220 CCSCCOCCc1ccccc1C 7a_100011220023_100000757381 [1,1,0,0,0,0|2,0,0]=4 4846 B15R1.220 CCSCCOCCc1ccccc1Cl 34a_100000212035_100011713703 [1,1,0,0,0,0|2,0,0]=4 4847 B15R1.220 CCSCCOCCc1ccccc1Cl 34a_100011215284_100000757381 [1,1,0,0,0,0|2,0,0]=4 4848 B15R1.220 CCSCCOCCc1ccccc1Cl 7a_100000212035_100011713703 [1,1,0,0,0,0|2,0,0]=4 4849 B15R1.220 CCSCCOCCc1ccccc1Cl 7a_100011215284_100000757381 [1,1,0,0,0,0|2,0,0]=4 4850 B15R1.220 CCSCCOCCc1ccccc1F 34a_100000212035_100000720011 [1,1,0,0,0,0|2,0,0]=4 4851 B15R1.220 CCSCCOCCc1ccccc1F 34a_100000753711_100000757381 [1,1,0,0,0,0|2,0,0]=4 4852 B15R1.220 CCSCCOCCc1ccccc1F 7a_100000212035_100000720011 [1,1,0,0,0,0|2,0,0]=4 4853 B15R1.220 CCSCCOCCc1ccccc1F 7a_100000753711_100000757381 [1,1,0,0,0,0|2,0,0]=4 4854 B15R1.220 CCSCCOCCc1ccccc1I 34a_100010255290_100000757381 [1,1,0,0,0,0|2,0,0]=4 4855 B15R1.220 CCSCCOCCc1ccccc1I 7a_100010255290_100000757381 [1,1,0,0,0,0|2,0,0]=4 4856 B15R1.220 CCSCCOCCc1ccccc1N 34a_100011215289_100000757381 [1,1,0,0,0,0|2,0,0]=4 4857 B15R1.220 CCSCCOCCc1ccccc1O 34a_100000212035_100000722297 [1,1,0,0,0,0|2,0,0]=4 4858 B15R1.220 CCSCCOCCc1ccccc1O 7a_100000212035_100000722297 [1,1,0,0,0,0|2,0,0]=4 4859 B15R1.220 CNCCCOCCc1ccccc1Br 34a_100000213112_100012161201 [1,1,0,0,0,0|2,0,0]=4 4860 B15R1.220 CNCCCOCCc1ccccc1C 34a_100000213112_100011713688 [1,1,0,0,0,0|2,0,0]=4 4861 B15R1.220 CNCCCOCCc1ccccc1Cl 34a_100000213112_100011713703 [1,1,0,0,0,0|2,0,0]=4 4862 B15R1.220 CNCCCOCCc1ccccc1F 34a_100000213112_100000720011 [1,1,0,0,0,0|2,0,0]=4 4863 B15R1.220 CNCCCOCCc1ccccc1O 34a_100000213112_100000722297 [1,1,0,0,0,0|2,0,0]=4 4864 B15R1.220 COCCCOCCc1ccccc1Br 34a_100000731337_100000740836 [1,1,0,0,0,0|2,0,0]=4 4865 B15R1.220 COCCCOCCc1ccccc1Br 34a_100000740835_100012161201 [1,1,0,0,0,0|2,0,0]=4 4866 B15R1.220 COCCCOCCc1ccccc1Br 7a_100000731337_100000740836 [1,1,0,0,0,0|2,0,0]=4 4867 B15R1.220 COCCCOCCc1ccccc1C 34a_100000740835_100011713688 [1,1,0,0,0,0|2,0,0]=4 4868 B15R1.220 COCCCOCCc1ccccc1C 34a_100011220023_100000740836 [1,1,0,0,0,0|2,0,0]=4 4869 B15R1.220 COCCCOCCc1ccccc1C 7a_100011220023_100000740836 [1,1,0,0,0,0|2,0,0]=4 4870 B15R1.220 COCCCOCCc1ccccc1Cl 34a_100000740835_100011713703 [1,1,0,0,0,0|2,0,0]=4 4871 B15R1.220 COCCCOCCc1ccccc1Cl 34a_100011215284_100000740836 [1,1,0,0,0,0|2,0,0]=4 4872 B15R1.220 COCCCOCCc1ccccc1Cl 7a_100011215284_100000740836 [1,1,0,0,0,0|2,0,0]=4 4873 B15R1.220 COCCCOCCc1ccccc1F 34a_100000740835_100000720011 [1,1,0,0,0,0|2,0,0]=4 4874 B15R1.220 COCCCOCCc1ccccc1F 34a_100000753711_100000740836 [1,1,0,0,0,0|2,0,0]=4 4875 B15R1.220 COCCCOCCc1ccccc1F 7a_100000753711_100000740836 [1,1,0,0,0,0|2,0,0]=4 4876 B15R1.220 COCCCOCCc1ccccc1I 34a_100010255290_100000740836 [1,1,0,0,0,0|2,0,0]=4 4877 B15R1.220 COCCCOCCc1ccccc1I 7a_100010255290_100000740836 [1,1,0,0,0,0|2,0,0]=4 4878 B15R1.220 COCCCOCCc1ccccc1N 34a_100011215289_100000740836 [1,1,0,0,0,0|2,0,0]=4 4879 B15R1.220 COCCCOCCc1ccccc1O 34a_100000740835_100000722297 [1,1,0,0,0,0|2,0,0]=4 4880 B15R1.220 CSCCCOCCc1ccccc1Br 34a_100000690336_100012161201 [1,1,0,0,0,0|2,0,0]=4 4881 B15R1.220 CSCCCOCCc1ccccc1Br 7a_100000690336_100012161201 [1,1,0,0,0,0|2,0,0]=4 4882 B15R1.220 CSCCCOCCc1ccccc1C 34a_100000690336_100011713688 [1,1,0,0,0,0|2,0,0]=4 4883 B15R1.220 CSCCCOCCc1ccccc1C 7a_100000690336_100011713688 [1,1,0,0,0,0|2,0,0]=4 4884 B15R1.220 CSCCCOCCc1ccccc1Cl 34a_100000690336_100011713703 [1,1,0,0,0,0|2,0,0]=4 4885 B15R1.220 CSCCCOCCc1ccccc1Cl 7a_100000690336_100011713703 [1,1,0,0,0,0|2,0,0]=4 4886 B15R1.220 CSCCCOCCc1ccccc1F 34a_100000690336_100000720011 [1,1,0,0,0,0|2,0,0]=4 4887 B15R1.220 CSCCCOCCc1ccccc1F 7a_100000690336_100000720011 [1,1,0,0,0,0|2,0,0]=4 4888 B15R1.220 CSCCCOCCc1ccccc1O 34a_100000690336_100000722297 [1,1,0,0,0,0|2,0,0]=4 4889 B15R1.220 CSCCCOCCc1ccccc1O 7a_100000690336_100000722297 [1,1,0,0,0,0|2,0,0]=4 4890 B15R1.220 CSCOCCCCc1ccccc1Br 34a_100012092669_100011218213 [1,1,0,0,0,0|2,0,0]=4 4891 B15R1.220 Cc1ccccc1CCOCCCCBr 34a_100011216708_100011713688 [1,1,0,0,0,0|2,0,0]=4 4892 B15R1.220 Cc1ccccc1CCOCCCCCl 34a_100000210776_100011713688 [1,1,0,0,0,0|2,0,0]=4 4893 B15R1.220 Cc1ccccc1CCOCCCCCl 7a_100000210776_100011713688 [1,1,0,0,0,0|2,0,0]=4 4894 B15R1.220 Cc1ccccc1CCOCCCCF 34a_100011220023_100000729493 [1,1,0,0,0,0|2,0,0]=4 4895 B15R1.220 Cc1ccccc1CCOCCCCF 34a_100011995726_100011713688 [1,1,0,0,0,0|2,0,0]=4 4896 B15R1.220 Cc1ccccc1CCOCCCCF 7a_100011220023_100000729493 [1,1,0,0,0,0|2,0,0]=4 4897 B15R1.220 Cc1ccccc1CCOCCCCF 7a_100011995726_100011713688 [1,1,0,0,0,0|2,0,0]=4 4898 B15R1.220 Cc1ccccc1CCOCCCCI 34a_200012148704_100011713688 [1,1,0,0,0,0|2,0,0]=4 4899 B15R1.220 Cc1ccccc1CCOCCCCN 34a_100000750430_100011713688 [1,1,0,0,0,0|2,0,0]=4 4900 B15R1.220 Cc1ccccc1CCOCCCCO 34a_100011220023_100011216708 [1,1,0,0,0,0|2,0,0]=4 4901 B15R1.220 Cc1ccccc1CCOCCCCO 7a_100011220023_100000210776 [1,1,0,0,0,0|2,0,0]=4 4902 B15R1.220 ClCCCCOCCc1ccccc1Br 34a_100000210776_100012161201 [1,1,0,0,0,0|2,0,0]=4 4903 B15R1.220 ClCCCCOCCc1ccccc1Br 7a_100000210776_100012161201 [1,1,0,0,0,0|2,0,0]=4 4904 B15R1.220 ClCCCCOCCc1ccccc1Cl 34a_100000210776_100011713703 [1,1,0,0,0,0|2,0,0]=4 4905 B15R1.220 ClCCCCOCCc1ccccc1Cl 7a_100000210776_100011713703 [1,1,0,0,0,0|2,0,0]=4 4906 B15R1.220 Clc1ccccc1CCOCCCCBr 34a_100011216708_100011713703 [1,1,0,0,0,0|2,0,0]=4 4907 B15R1.220 Clc1ccccc1CCOCCCCI 34a_200012148704_100011713703 [1,1,0,0,0,0|2,0,0]=4 4908 B15R1.220 FCCCCOCCc1ccccc1Br 34a_100000731337_100000729493 [1,1,0,0,0,0|2,0,0]=4 4909 B15R1.220 FCCCCOCCc1ccccc1Br 34a_100011995726_100012161201 [1,1,0,0,0,0|2,0,0]=4 4910 B15R1.220 FCCCCOCCc1ccccc1Br 7a_100000731337_100000729493 [1,1,0,0,0,0|2,0,0]=4 4911 B15R1.220 FCCCCOCCc1ccccc1Br 7a_100011995726_100012161201 [1,1,0,0,0,0|2,0,0]=4 4912 B15R1.220 FCCCCOCCc1ccccc1Cl 34a_100011215284_100000729493 [1,1,0,0,0,0|2,0,0]=4 4913 B15R1.220 FCCCCOCCc1ccccc1Cl 34a_100011995726_100011713703 [1,1,0,0,0,0|2,0,0]=4 4914 B15R1.220 FCCCCOCCc1ccccc1Cl 7a_100011215284_100000729493 [1,1,0,0,0,0|2,0,0]=4 4915 B15R1.220 FCCCCOCCc1ccccc1Cl 7a_100011995726_100011713703 [1,1,0,0,0,0|2,0,0]=4 4916 B15R1.220 FCCCCOCCc1ccccc1F 34a_100000753711_100000729493 [1,1,0,0,0,0|2,0,0]=4 4917 B15R1.220 FCCCCOCCc1ccccc1F 34a_100011995726_100000720011 [1,1,0,0,0,0|2,0,0]=4 4918 B15R1.220 FCCCCOCCc1ccccc1F 7a_100000753711_100000729493 [1,1,0,0,0,0|2,0,0]=4 4919 B15R1.220 FCCCCOCCc1ccccc1F 7a_100011995726_100000720011 [1,1,0,0,0,0|2,0,0]=4 4920 B15R1.220 FCCCCOCCc1ccccc1I 34a_100010255290_100000729493 [1,1,0,0,0,0|2,0,0]=4 4921 B15R1.220 FCCCCOCCc1ccccc1I 7a_100010255290_100000729493 [1,1,0,0,0,0|2,0,0]=4 4922 B15R1.220 FCCOCCCCc1ccccc1Br 34a_100012092669_100011217306 [1,1,0,0,0,0|2,0,0]=4 4923 B15R1.220 FCCOCCCCc1ccccc1Br 7a_100012092669_100011217306 [1,1,0,0,0,0|2,0,0]=4 4924 B15R1.220 Fc1ccccc1CCOCCCCBr 34a_100011216708_100000720011 [1,1,0,0,0,0|2,0,0]=4 4925 B15R1.220 Fc1ccccc1CCOCCCCCl 34a_100000210776_100000720011 [1,1,0,0,0,0|2,0,0]=4 4926 B15R1.220 Fc1ccccc1CCOCCCCCl 7a_100000210776_100000720011 [1,1,0,0,0,0|2,0,0]=4 4927 B15R1.220 Fc1ccccc1CCOCCCCI 34a_200012148704_100000720011 [1,1,0,0,0,0|2,0,0]=4 4928 B15R1.220 NCCCCOCCc1ccccc1Br 34a_100000750430_100012161201 [1,1,0,0,0,0|2,0,0]=4 4929 B15R1.220 NCCCCOCCc1ccccc1Cl 34a_100000750430_100011713703 [1,1,0,0,0,0|2,0,0]=4 4930 B15R1.220 NCCCCOCCc1ccccc1F 34a_100000750430_100000720011 [1,1,0,0,0,0|2,0,0]=4 4931 B15R1.220 NCCCCOCCc1ccccc1O 34a_100000750430_100000722297 [1,1,0,0,0,0|2,0,0]=4 4932 B15R1.220 Nc1ccccc1CCOCCCCF 34a_100011215289_100000729493 [1,1,0,0,0,0|2,0,0]=4 4933 B15R1.220 Nc1ccccc1CCOCCCCO 34a_100011215289_100011216708 [1,1,0,0,0,0|2,0,0]=4 4934 B15R1.220 OCCCCOCCc1ccccc1Br 34a_100000731337_100011216708 [1,1,0,0,0,0|2,0,0]=4 4935 B15R1.220 OCCCCOCCc1ccccc1Br 7a_100000731337_100000210776 [1,1,0,0,0,0|2,0,0]=4 4936 B15R1.220 OCCCCOCCc1ccccc1Cl 34a_100011215284_100011216708 [1,1,0,0,0,0|2,0,0]=4 4937 B15R1.220 OCCCCOCCc1ccccc1Cl 7a_100011215284_100000210776 [1,1,0,0,0,0|2,0,0]=4 4938 B15R1.220 OCCCCOCCc1ccccc1F 34a_100000753711_100011216708 [1,1,0,0,0,0|2,0,0]=4 4939 B15R1.220 OCCCCOCCc1ccccc1F 7a_100000753711_100000210776 [1,1,0,0,0,0|2,0,0]=4 4940 B15R1.220 OCCCCOCCc1ccccc1I 34a_100010255290_100011216708 [1,1,0,0,0,0|2,0,0]=4 4941 B15R1.220 OCCCCOCCc1ccccc1I 7a_100010255290_100000210776 [1,1,0,0,0,0|2,0,0]=4 4942 B15R1.220 OCCOCCCCc1ccccc1Br 34a_100012092669_100000211926 [1,1,0,0,0,0|2,0,0]=4 4943 B15R1.220 OCCOCCCCc1ccccc1Br 7a_100012092669_100000211926 [1,1,0,0,0,0|2,0,0]=4 4944 B15R1.220 Oc1ccccc1CCOCCCCBr 34a_100011216708_100000722297 [1,1,0,0,0,0|2,0,0]=4 4945 B15R1.220 Oc1ccccc1CCOCCCCCl 34a_100000210776_100000722297 [1,1,0,0,0,0|2,0,0]=4 4946 B15R1.220 Oc1ccccc1CCOCCCCCl 7a_100000210776_100000722297 [1,1,0,0,0,0|2,0,0]=4 4947 B15R1.220 Oc1ccccc1CCOCCCCF 34a_100011995726_100000722297 [1,1,0,0,0,0|2,0,0]=4 4948 B15R1.220 Oc1ccccc1CCOCCCCF 7a_100011995726_100000722297 [1,1,0,0,0,0|2,0,0]=4 4949 B15R1.220 Oc1ccccc1CCOCCCCI 34a_200012148704_100000722297 [1,1,0,0,0,0|2,0,0]=4 4950 B15R1.504 C=C(C)COCCCCc1ccccc1 34a_100000210245_100000701786 [1,1,0,0,0,0|1,0,1]=4 4951 B15R1.504 C=C(C)COCCCCc1ccccc1 34a_100000703073_100000748629 [1,1,0,0,0,0|1,0,1]=4 4952 B15R1.504 C=C(C)COCCCCc1ccccc1 7a_100000703073_100000748629 [1,1,0,0,0,0|1,0,1]=4 4953 B15R1.504 CC(=O)CCCOCCc1ccccc1 34a_100000210268_100000685027 [1,1,0,0,0,0|1,0,1]=4 4954 B15R1.504 CC(=O)CCCOCCc1ccccc1 34a_100000759063_100000765856 [1,1,0,0,0,0|1,0,1]=4 4955 B15R1.504 CC(=O)CCCOCCc1ccccc1 7a_100000210268_100011215641 [1,1,0,0,0,0|1,0,1]=4 4956 B15R1.504 CC(=O)CCCOCCc1ccccc1 7a_100000759063_100000765856 [1,1,0,0,0,0|1,0,1]=4 4957 B15R1.504 CC(=O)COCCCCc1ccccc1 34a_100000211253_100000701786 [1,1,0,0,0,0|1,0,1]=4 4958 B15R1.504 CC(Br)COCCCCc1ccccc1 34a_100012180447_100000701786 [1,1,0,0,0,0|1,0,0]=3 4959 B15R1.504 CC(Br)COCCCOc1ccccc1 34a_100012180447_100000199009 [1,1,0,0,0,0|2,0,0]=4 4960 B15R1.504 CC(Br)COCCCSc1ccccc1 34a_100012180447_200011203293 [1,1,0,0,0,0|2,0,0]=4 4961 B15R1.504 CC(Br)COCCOCc1ccccc1 34a_100012180447_100000234347 [1,1,0,0,0,0|2,0,0]=4 4962 B15R1.504 CC(Br)COCCSCc1ccccc1 34a_100012180447_200011297719 [1,1,0,0,0,0|2,0,0]=4 4963 B15R1.504 CC(C)CCCNCCc1ccccc1 2230a_100000106460_100011214892 [1,1,0,0,0,0|2,0,0]=4 4964 B15R1.504 CC(C)CCCNCCc1ccccc1 2230a_200000737386_100000765856 [1,1,0,0,0,0|2,0,0]=4 4965 B15R1.504 CC(C)CCCNCCc1ccccc1 34a_100000106460_100011214892 [1,1,0,0,0,0|2,0,0]=4 4966 B15R1.504 CC(C)CCCNCCc1ccccc1 34a_200000737386_100000765856 [1,1,0,0,0,0|2,0,0]=4 4967 B15R1.504 CC(C)CCCOCCc1ccccc1 34a_100000210268_100011214892 [1,1,0,0,0,0|1,0,0]=3 4968 B15R1.504 CC(C)CCCOCCc1ccccc1 34a_100000210774_100000765856 [1,1,0,0,0,0|1,0,0]=3 4969 B15R1.504 CC(C)CCCOCCc1ccccc1 7a_100000210268_100011214892 [1,1,0,0,0,0|1,0,0]=3 4970 B15R1.504 CC(C)CCCOCCc1ccccc1 7a_100000210774_100000765856 [1,1,0,0,0,0|1,0,0]=3 4971 B15R1.504 CC(C)CCCOCCc1ccccn1 34a_100000210271_100011214892 [1,1,0,0,0,0|2,0,0]=4 4972 B15R1.504 CC(C)CCCOCCc1ccccn1 7a_100000210774_100015183660 [1,1,0,0,0,0|2,0,0]=4 4973 B15R1.504 CC(C)CCCOCCc1cccnc1 34a_100011217484_100011214892 [1,1,0,0,0,0|2,0,0]=4 4974 B15R1.504 CC(C)CCCOCCc1cccnc1 7a_100000210774_200011713674 [1,1,0,0,0,0|2,0,0]=4 4975 B15R1.504 CC(C)CCCOCCc1ccncc1 34a_100011216225_100011214892 [1,1,0,0,0,0|2,0,0]=4 4976 B15R1.504 CC(C)CCCOCCc1ccncc1 7a_100000210774_100000723409 [1,1,0,0,0,0|2,0,0]=4 4977 B15R1.504 CC(C)CCCSCCc1ccccc1 62a_100000765856_100011214892 [1,1,0,0,0,0|1,1,0]=4 4978 B15R1.504 CC(C)CCCSCCc1ccccc1 62a_100011214892_100011218657 [1,1,0,0,0,0|1,1,0]=4 4979 B15R1.504 CC(C)CNCCCCc1ccccc1 2230a_100000210953_100000701786 [1,1,0,0,0,0|2,0,0]=4 4980 B15R1.504 CC(C)CNCCCCc1ccccc1 2230a_100015280158_100000210760 [1,1,0,0,0,0|2,0,0]=4 4981 B15R1.504 CC(C)CNCCCCc1ccccc1 270004a_100015280158_100000210432 [1,1,0,0,0,0|2,0,0]=4 4982 B15R1.504 CC(C)CNCCCCc1ccccc1 34a_100000210953_100000701786 [1,1,0,0,0,0|2,0,0]=4 4983 B15R1.504 CC(C)CNCCCCc1ccccc1 34a_100015280158_100000210624 [1,1,0,0,0,0|2,0,0]=4 4984 B15R1.504 CC(C)COCCCCc1ccccc1 34a_100000210257_100000701786 [1,1,0,0,0,0|1,0,0]=3 4985 B15R1.504 CC(C)COCCCCc1ccccc1 34a_100000703073_100000210624 [1,1,0,0,0,0|1,0,0]=3 4986 B15R1.504 CC(C)COCCCCc1ccccc1 7a_100000703073_100000210760 [1,1,0,0,0,0|1,0,0]=3 4987 B15R1.504 CC(C)COCCCCc1ccccn1 34a_100012186994_100000210624 [1,1,0,0,0,0|2,0,0]=4 4988 B15R1.504 CC(C)COCCCCc1cccnc1 34a_100012039607_100000210624 [1,1,0,0,0,0|2,0,0]=4 4989 B15R1.504 CC(C)COCCCCc1cccnc1 7a_100012039607_100000210760 [1,1,0,0,0,0|2,0,0]=4 4990 B15R1.504 CC(C)COCCCCc1ccncc1 34a_100011787716_100000210624 [1,1,0,0,0,0|2,0,0]=4 4991 B15R1.504 CC(C)COCCCNc1ccccc1 34a_100000212590_100000210624 [1,1,0,0,0,0|2,0,0]=4 4992 B15R1.504 CC(C)COCCCOc1ccccc1 34a_100000210257_100000199009 [1,1,0,0,0,0|2,0,0]=4 4993 B15R1.504 CC(C)COCCCOc1ccccc1 34a_100011215863_100000210624 [1,1,0,0,0,0|2,0,0]=4 4994 B15R1.504 CC(C)COCCCOc1ccccc1 7a_100011215863_100000210760 [1,1,0,0,0,0|2,0,0]=4 4995 B15R1.504 CC(C)COCCCSc1ccccc1 34a_100000210257_200011203293 [1,1,0,0,0,0|2,0,0]=4 4996 B15R1.504 CC(C)COCCNCc1ccccc1 34a_100000180844_100000210624 [1,1,0,0,0,0|2,0,0]=4 4997 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000210257_100000234347 [1,1,0,0,0,0|2,0,0]=4 4998 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000703358_100015291786 [1,1,0,0,0,0|2,0,0]=4 4999 B15R1.504 CC(C)COCCOCc1ccccc1 34a_100000759325_100000210624 [1,1,0,0,0,0|2,0,0]=4 5000 B15R1.504 CC(C)COCCOCc1ccccc1 7a_100000703358_100000211182 [1,1,0,0,0,0|2,0,0]=4 5001 B15R1.504 CC(C)COCCOCc1ccccc1 7a_100000759325_100000210760 [1,1,0,0,0,0|2,0,0]=4 5002 B15R1.504 CC(C)COCCSCc1ccccc1 34a_100000210257_200011297719 [1,1,0,0,0,0|2,0,0]=4 5003 B15R1.504 CC(C)COCCSCc1ccccc1 34a_100011205989_100000210624 [1,1,0,0,0,0|2,0,0]=4 5004 B15R1.504 CC(C)COCCSCc1ccccc1 7a_100011205989_100000210760 [1,1,0,0,0,0|2,0,0]=4 5005 B15R1.504 CC(C)CSCCCCc1ccccc1 62a_100000210624_100000701786 [1,1,0,0,0,0|1,1,0]=4 5006 B15R1.504 CC(C)CSCCCCc1ccccc1 62a_100000701786_100000210760 [1,1,0,0,0,0|1,1,0]=4 5007 B15R1.504 CC(C)NCCOCCc1ccccc1 34a_100000224655_100000765856 [1,1,0,0,0,0|2,0,0]=4 5008 B15R1.504 CC(C)OCCOCCc1ccccc1 34a_100000210268_100000211751 [1,1,0,0,0,0|2,0,0]=4 5009 B15R1.504 CC(C)OCCOCCc1ccccc1 34a_100000211219_100000765856 [1,1,0,0,0,0|2,0,0]=4 5010 B15R1.504 CC(C)OCCOCCc1ccccc1 7a_100000210268_100000211751 [1,1,0,0,0,0|2,0,0]=4 5011 B15R1.504 CC(C)OCCOCCc1ccccc1 7a_100000211219_100000765856 [1,1,0,0,0,0|2,0,0]=4 5012 B15R1.504 CC(C)SCCOCCc1ccccc1 34a_100000210268_100000730970 [1,1,0,0,0,0|2,0,0]=4 5013 B15R1.504 CC(C)SCCOCCc1ccccc1 34a_200011212901_100000765856 [1,1,0,0,0,0|2,0,0]=4 5014 B15R1.504 CC(C)SCCOCCc1ccccc1 7a_100000210268_100000730970 [1,1,0,0,0,0|2,0,0]=4 5015 B15R1.504 CC(C)SCCOCCc1ccccc1 7a_200011212901_100000765856 [1,1,0,0,0,0|2,0,0]=4 5016 B15R1.504 CC(F)COCCCCc1ccccc1 34a_100015925927_100000701786 [1,1,0,0,0,0|1,0,0]=3 5017 B15R1.504 CC(F)COCCCOc1ccccc1 34a_100015925927_100000199009 [1,1,0,0,0,0|2,0,0]=4 5018 B15R1.504 CC(F)COCCCSc1ccccc1 34a_100015925927_200011203293 [1,1,0,0,0,0|2,0,0]=4 5019 B15R1.504 CC(F)COCCOCc1ccccc1 34a_100015925927_100000234347 [1,1,0,0,0,0|2,0,0]=4 5020 B15R1.504 CC(F)COCCSCc1ccccc1 34a_100015925927_200011297719 [1,1,0,0,0,0|2,0,0]=4 5021 B15R1.504 CC(O)CCCNCCc1ccccc1 2230a_100000106460_200000718107 [1,1,0,0,0,0|2,0,0]=4 5022 B15R1.504 CC(O)CCCNCCc1ccccc1 34a_100000106460_200000718107 [1,1,0,0,0,0|2,0,0]=4 5023 B15R1.504 CC(O)CCCOCCc1ccccc1 34a_100000210268_200000718107 [1,1,0,0,0,0|1,0,0]=3 5024 B15R1.504 CC(O)CCCOCCc1ccccc1 7a_100000210268_200000718107 [1,1,0,0,0,0|1,0,0]=3 5025 B15R1.504 CC(O)CCCOCCc1ccccn1 34a_100000210271_200000718107 [1,1,0,0,0,0|2,0,0]=4 5026 B15R1.504 CC(O)CCCOCCc1cccnc1 34a_100011217484_200000718107 [1,1,0,0,0,0|2,0,0]=4 5027 B15R1.504 CC(O)CCCOCCc1ccncc1 34a_100011216225_200000718107 [1,1,0,0,0,0|2,0,0]=4 5028 B15R1.504 CC(O)CCCSCCc1ccccc1 62a_100000765856_200000718107 [1,1,0,0,0,0|1,1,0]=4 5029 B15R1.504 CC(O)CCCSCCc1ccccc1 62a_200000718107_100011218657 [1,1,0,0,0,0|1,1,0]=4 5030 B15R1.504 CC(O)CNCCCCc1ccccc1 2230a_100000210904_100000701786 [1,1,0,0,0,0|2,0,0]=4 5031 B15R1.504 CC(O)CNCCCCc1ccccc1 2230a_100015280158_100011218427 [1,1,0,0,0,0|2,0,0]=4 5032 B15R1.504 CC(O)CNCCCCc1ccccc1 34a_100000210904_100000701786 [1,1,0,0,0,0|2,0,0]=4 5033 B15R1.504 CC(O)CNCCCCc1ccccc1 34a_100015280158_100011218427 [1,1,0,0,0,0|2,0,0]=4 5034 B15R1.504 CC(O)COCCCCc1ccccc1 34a_100000703073_100011218427 [1,1,0,0,0,0|1,0,0]=3 5035 B15R1.504 CC(O)COCCCCc1ccccc1 7a_100000703073_100011218427 [1,1,0,0,0,0|1,0,0]=3 5036 B15R1.504 CC(O)COCCCCc1ccccn1 34a_100012186994_100011218427 [1,1,0,0,0,0|2,0,0]=4 5037 B15R1.504 CC(O)COCCCCc1cccnc1 34a_100012039607_100011218427 [1,1,0,0,0,0|2,0,0]=4 5038 B15R1.504 CC(O)COCCCCc1cccnc1 7a_100012039607_100011218427 [1,1,0,0,0,0|2,0,0]=4 5039 B15R1.504 CC(O)COCCCCc1ccncc1 34a_100011787716_100011218427 [1,1,0,0,0,0|2,0,0]=4 5040 B15R1.504 CC(O)COCCCNc1ccccc1 34a_100000212590_100011218427 [1,1,0,0,0,0|2,0,0]=4 5041 B15R1.504 CC(O)COCCCOc1ccccc1 34a_100011215863_100011218427 [1,1,0,0,0,0|2,0,0]=4 5042 B15R1.504 CC(O)COCCCOc1ccccc1 7a_100011215863_100011218427 [1,1,0,0,0,0|2,0,0]=4 5043 B15R1.504 CC(O)COCCNCc1ccccc1 34a_100000180844_100011218427 [1,1,0,0,0,0|2,0,0]=4 5044 B15R1.504 CC(O)COCCOCc1ccccc1 34a_100000759325_100011218427 [1,1,0,0,0,0|2,0,0]=4 5045 B15R1.504 CC(O)COCCOCc1ccccc1 7a_100000759325_100011218427 [1,1,0,0,0,0|2,0,0]=4 5046 B15R1.504 CC(O)COCCSCc1ccccc1 34a_100011205989_100011218427 [1,1,0,0,0,0|2,0,0]=4 5047 B15R1.504 CC(O)COCCSCc1ccccc1 7a_100011205989_100011218427 [1,1,0,0,0,0|2,0,0]=4 5048 B15R1.504 CC(O)CSCCCCc1ccccc1 62a_100000701786_100011218427 [1,1,0,0,0,0|1,1,0]=4 5049 B15R1.504 CC(O)CSCCCCc1ccccc1 62a_100011218427_100000701786 [1,1,0,0,0,0|1,1,0]=4 5050 B15R1.504 CN(C)CCCOCCc1ccccc1 7a_100000210268_100000757444 [1,1,0,0,0,0|2,0,0]=4 5051 B15R1.504 C[C@@H](Cl)COCCCCc1ccccc1 34a_100016084084_100000701786 [1,1,0,0,0,0|1,0,0]=3 5052 B15R1.504 C[C@@H](Cl)COCCCOc1ccccc1 34a_100016084084_100000199009 [1,1,0,0,0,0|2,0,0]=4 5053 B15R1.504 C[C@@H](Cl)COCCCSc1ccccc1 34a_100016084084_200011203293 [1,1,0,0,0,0|2,0,0]=4 5054 B15R1.504 C[C@@H](Cl)COCCOCc1ccccc1 34a_100016084084_100000234347 [1,1,0,0,0,0|2,0,0]=4 5055 B15R1.504 C[C@@H](Cl)COCCSCc1ccccc1 34a_100016084084_200011297719 [1,1,0,0,0,0|2,0,0]=4 5056 B15R1.504 C[C@@H](N)COCCCCc1ccccc1 34a_100000737577_100000701786 [1,1,0,0,0,0|1,0,0]=3 5057 B15R1.504 C[C@@H](N)COCCCOc1ccccc1 34a_100000737577_100000199009 [1,1,0,0,0,0|2,0,0]=4 5058 B15R1.504 C[C@@H](N)COCCCSc1ccccc1 34a_100000737577_200011203293 [1,1,0,0,0,0|2,0,0]=4 5059 B15R1.504 C[C@@H](N)COCCOCc1ccccc1 34a_100000737577_100000234347 [1,1,0,0,0,0|2,0,0]=4 5060 B15R1.504 C[C@@H](N)COCCSCc1ccccc1 34a_100000737577_200011297719 [1,1,0,0,0,0|2,0,0]=4 5061 B15R1.504 C[C@@H](O)CNCCCCc1ccccc1 2230a_100015280158_100009817552 [1,1,0,0,0,0|2,0,0]=4 5062 B15R1.504 C[C@@H](O)CNCCCCc1ccccc1 34a_100015280158_100009817552 [1,1,0,0,0,0|2,0,0]=4 5063 B15R1.504 C[C@@H](O)COCCCCc1ccccc1 34a_100000703073_100009817552 [1,1,0,0,0,0|1,0,0]=3 5064 B15R1.504 C[C@@H](O)COCCCCc1ccccc1 7a_100000703073_100009817552 [1,1,0,0,0,0|1,0,0]=3 5065 B15R1.504 C[C@@H](O)COCCCCc1ccccn1 34a_100012186994_100009817552 [1,1,0,0,0,0|2,0,0]=4 5066 B15R1.504 C[C@@H](O)COCCCCc1cccnc1 34a_100012039607_100009817552 [1,1,0,0,0,0|2,0,0]=4 5067 B15R1.504 C[C@@H](O)COCCCCc1cccnc1 7a_100012039607_100009817552 [1,1,0,0,0,0|2,0,0]=4 5068 B15R1.504 C[C@@H](O)COCCCCc1ccncc1 34a_100011787716_100009817552 [1,1,0,0,0,0|2,0,0]=4 5069 B15R1.504 C[C@@H](O)COCCCNc1ccccc1 34a_100000212590_100009817552 [1,1,0,0,0,0|2,0,0]=4 5070 B15R1.504 C[C@@H](O)COCCCOc1ccccc1 34a_100011215863_100009817552 [1,1,0,0,0,0|2,0,0]=4 5071 B15R1.504 C[C@@H](O)COCCCOc1ccccc1 7a_100011215863_100009817552 [1,1,0,0,0,0|2,0,0]=4 5072 B15R1.504 C[C@@H](O)COCCNCc1ccccc1 34a_100000180844_100009817552 [1,1,0,0,0,0|2,0,0]=4 5073 B15R1.504 C[C@@H](O)COCCOCc1ccccc1 34a_100000759325_100009817552 [1,1,0,0,0,0|2,0,0]=4 5074 B15R1.504 C[C@@H](O)COCCOCc1ccccc1 7a_100000759325_100009817552 [1,1,0,0,0,0|2,0,0]=4 5075 B15R1.504 C[C@@H](O)COCCSCc1ccccc1 34a_100011205989_100009817552 [1,1,0,0,0,0|2,0,0]=4 5076 B15R1.504 C[C@@H](O)COCCSCc1ccccc1 7a_100011205989_100009817552 [1,1,0,0,0,0|2,0,0]=4 5077 B15R1.504 C[C@@H](O)CSCCCCc1ccccc1 62a_100000701786_100009817552 [1,1,0,0,0,0|1,1,0]=4 5078 B15R1.504 C[C@@H](O)CSCCCCc1ccccc1 62a_100009817552_100000701786 [1,1,0,0,0,0|1,1,0]=4 5079 B15R1.504 FC(F)COCCCCc1ccccc1 34a_100000703073_100011934356 [1,1,0,0,0,0|2,0,0]=4 5080 B15R1.504 FC(F)COCCCCc1ccccc1 34a_100000743014_100000701786 [1,1,0,0,0,0|2,0,0]=4 5081 B15R1.504 FC(F)COCCCCc1ccccc1 7a_100000703073_100011934356 [1,1,0,0,0,0|2,0,0]=4 5082 B15R1.778 CC(CCN)COCCc1ccccc1 34a_106354213184_100000765856 [1,1,0,0,0,0|2,0,0]=4 5083 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100000211992_100000701786 [1,1,0,0,0,0|2,0,0]=4 5084 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210303 [1,1,0,0,0,0|2,0,0]=4 5085 B15R1.778 CCCC(=O)CNCCc1ccccc1 2230a_100000106460_100000747444 [1,1,0,0,0,0|2,0,0]=4 5086 B15R1.778 CCCC(=O)COCCc1ccccc1 7a_100000210268_100000747444 [1,1,0,0,0,0|1,0,0]=3 5087 B15R1.778 CCCC(=O)CSCCc1ccccc1 62a_100000747444_100011218657 [1,1,0,0,0,0|1,1,0]=4 5088 B15R1.778 CCCC(=O)CSCCc1ccccc1 62a_100000765856_100000747444 [1,1,0,0,0,0|1,1,0]=4 5089 B15R1.778 CCCC(C)CNCCc1ccccc1 2230a_100000106460_100011216630 [1,1,0,0,0,0|2,0,0]=4 5090 B15R1.778 CCCC(C)CNCCc1ccccc1 270004a_100000106460_100000243154 [1,1,0,0,0,0|2,0,0]=4 5091 B15R1.778 CCCC(C)CNCCc1ccccc1 34a_100000106460_100011216630 [1,1,0,0,0,0|2,0,0]=4 5092 B15R1.778 CCCC(C)COCCc1ccccc1 34a_100000210268_100011216630 [1,1,0,0,0,0|1,0,0]=3 5093 B15R1.778 CCCC(C)COCCc1ccccc1 34a_100000688023_100000765856 [1,1,0,0,0,0|1,0,0]=3 5094 B15R1.778 CCCC(C)COCCc1ccccc1 7a_100000210268_100011216630 [1,1,0,0,0,0|1,0,0]=3 5095 B15R1.778 CCCC(C)COCCc1ccccc1 7a_100000688023_100000765856 [1,1,0,0,0,0|1,0,0]=3 5096 B15R1.778 CCCC(C)COCCc1ccccn1 34a_100000210271_100011216630 [1,1,0,0,0,0|2,0,0]=4 5097 B15R1.778 CCCC(C)COCCc1ccccn1 7a_100000688023_100015183660 [1,1,0,0,0,0|2,0,0]=4 5098 B15R1.778 CCCC(C)COCCc1cccnc1 34a_100011217484_100011216630 [1,1,0,0,0,0|2,0,0]=4 5099 B15R1.778 CCCC(C)COCCc1cccnc1 7a_100000688023_200011713674 [1,1,0,0,0,0|2,0,0]=4 5100 B15R1.778 CCCC(C)COCCc1ccncc1 34a_100011216225_100011216630 [1,1,0,0,0,0|2,0,0]=4 5101 B15R1.778 CCCC(C)COCCc1ccncc1 7a_100000688023_100000723409 [1,1,0,0,0,0|2,0,0]=4 5102 B15R1.778 CCCC(C)CSCCc1ccccc1 62a_100000765856_100011216630 [1,1,0,0,0,0|1,1,0]=4 5103 B15R1.778 CCCC(C)CSCCc1ccccc1 62a_100011216630_100011218657 [1,1,0,0,0,0|1,1,0]=4 5104 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000741445_100000210303 [1,1,0,0,0,0|2,0,0]=4 5105 B15R1.778 CCCN(C)CCCCc1ccccc1 2230a_100000747261_100000701786 [1,1,0,0,0,0|2,0,0]=4 5106 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000741445_100000210303 [1,1,0,0,0,0|2,0,0]=4 5107 B15R1.778 CCCN(C)CCCCc1ccccc1 269982a_100000747261_100000701786 [1,1,0,0,0,0|2,0,0]=4 5108 B15R1.778 CCCN(C)CCCCc1ccccc1 34a_100000741445_100000210303 [1,1,0,0,0,0|2,0,0]=4 5109 B15R1.778 CCC[C@H](N)COCCc1ccccc1 34a_100000732646_100000765856 [1,1,0,0,0,0|1,0,0]=3 5110 B15R1.778 CCNC(=O)COCCc1ccccc1 34a_100000210268_100000183381 [1,1,0,0,0,0|2,0,0]=4 5111 B15R1.778 CCNC(=O)COCCc1ccccc1 7a_100000210268_100000183381 [1,1,0,0,0,0|2,0,0]=4 5112 B15R1.778 CCOC(=O)COCCc1ccccc1 34a_100000210268_100000188475 [1,1,0,0,0,0|2,0,0]=4 5113 B15R1.778 CCOC(=O)COCCc1ccccc1 7a_100000210268_100000188475 [1,1,0,0,0,0|2,0,0]=4 5114 B15R1.778 COCC(N)COCCc1ccccc1 34a_100000724102_100000765856 [1,1,0,0,0,0|2,0,0]=4 5115 B15R1.778 COCC(O)COCCc1ccccc1 34a_100000210268_100011215053 [1,1,0,0,0,0|2,0,0]=4 5116 B15R1.778 COCC(O)COCCc1ccccc1 7a_100000210268_100011215053 [1,1,0,0,0,0|2,0,0]=4 5117 B15R1.962 CC(CF)OCCCCc1ccccc1 34a_100016041109_100000701786 [1,1,0,0,0,0|2,0,0]=4 5118 B15R1.962 CC(CF)OCCCCc1ccccc1 7a_100016041109_100000701786 [1,1,0,0,0,0|2,0,0]=4 5119 B15R1.962 CC(CN)OCCCCc1ccccc1 34a_100000210904_100000701786 [1,1,0,0,0,0|2,0,0]=4 5120 B15R1.962 CC(CO)OCCCCc1ccccc1 34a_100000703073_100012180447 [1,1,0,0,0,0|2,0,0]=4 5121 B15R1.962 CC(CO)OCCCCc1ccccc1 7a_100000703073_100012180447 [1,1,0,0,0,0|2,0,0]=4 5122 B15R1.962 CCC(C)CCNCCc1ccccc1 2230a_100020591266_100000765856 [1,1,0,0,0,0|2,0,0]=4 5123 B15R1.962 CCC(C)CCOCCc1ccccc1 7a_100011215188_100000765856 [1,1,0,0,0,0|1,0,0]=3 5124 B15R1.962 CCC(C)CCOCCc1ccccn1 7a_100011215188_100015183660 [1,1,0,0,0,0|2,0,0]=4 5125 B15R1.962 CCC(C)CCOCCc1cccnc1 7a_100011215188_200011713674 [1,1,0,0,0,0|2,0,0]=4 5126 B15R1.962 CCC(C)CCOCCc1ccncc1 7a_100011215188_100000723409 [1,1,0,0,0,0|2,0,0]=4 5127 B15R1.962 CCC(C)NCCCCc1ccccc1 2230a_100000209981_100000701786 [1,1,0,0,0,0|2,0,0]=4 5128 B15R1.962 CCC(C)NCCCCc1ccccc1 2230a_100015280158_100000758301 [1,1,0,0,0,0|2,0,0]=4 5129 B15R1.962 CCC(C)NCCCCc1ccccc1 34a_100015280158_100011215416 [1,1,0,0,0,0|2,0,0]=4 5130 B15R1.962 CCC(C)OCCCCc1ccccc1 34a_100000703073_100011215416 [1,1,0,0,0,0|1,0,0]=3 5131 B15R1.962 CCC(C)OCCCCc1ccccc1 7a_100000210228_100000701786 [1,1,0,0,0,0|1,0,0]=3 5132 B15R1.962 CCC(C)OCCCCc1ccccc1 7a_100000703073_100000758301 [1,1,0,0,0,0|1,0,0]=3 5133 B15R1.962 CCC(C)OCCCCc1ccccn1 34a_100012186994_100011215416 [1,1,0,0,0,0|2,0,0]=4 5134 B15R1.962 CCC(C)OCCCCc1cccnc1 34a_100012039607_100011215416 [1,1,0,0,0,0|2,0,0]=4 5135 B15R1.962 CCC(C)OCCCCc1cccnc1 7a_100012039607_100000758301 [1,1,0,0,0,0|2,0,0]=4 5136 B15R1.962 CCC(C)OCCCCc1ccncc1 34a_100011787716_100011215416 [1,1,0,0,0,0|2,0,0]=4 5137 B15R1.962 CCC(C)OCCCCc1ccncc1 7a_100000210228_100020630000 [1,1,0,0,0,0|2,0,0]=4 5138 B15R1.962 CCC(C)OCCCNc1ccccc1 34a_100000212590_100011215416 [1,1,0,0,0,0|2,0,0]=4 5139 B15R1.962 CCC(C)OCCCOc1ccccc1 34a_100011215863_100011215416 [1,1,0,0,0,0|2,0,0]=4 5140 B15R1.962 CCC(C)OCCCOc1ccccc1 7a_100000210228_100000199009 [1,1,0,0,0,0|2,0,0]=4 5141 B15R1.962 CCC(C)OCCCOc1ccccc1 7a_100011215863_100000758301 [1,1,0,0,0,0|2,0,0]=4 5142 B15R1.962 CCC(C)OCCCSc1ccccc1 7a_100000210228_200011203293 [1,1,0,0,0,0|2,0,0]=4 5143 B15R1.962 CCC(C)OCCNCc1ccccc1 34a_100000180844_100011215416 [1,1,0,0,0,0|2,0,0]=4 5144 B15R1.962 CCC(C)OCCOCc1ccccc1 34a_100000759325_100011215416 [1,1,0,0,0,0|2,0,0]=4 5145 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000210228_100000234347 [1,1,0,0,0,0|2,0,0]=4 5146 B15R1.962 CCC(C)OCCOCc1ccccc1 7a_100000759325_100000758301 [1,1,0,0,0,0|2,0,0]=4 5147 B15R1.962 CCC(C)OCCSCc1ccccc1 34a_100011205989_100011215416 [1,1,0,0,0,0|2,0,0]=4 5148 B15R1.962 CCC(C)OCCSCc1ccccc1 7a_100011205989_100000758301 [1,1,0,0,0,0|2,0,0]=4 5149 B15R1.962 CCC(C)SCCCCc1ccccc1 62a_100000701786_100000758301 [1,1,0,0,0,0|1,1,0]=4 5150 B15R1.962 CCC(C)SCCCCc1ccccc1 62a_100000758301_100000701786 [1,1,0,0,0,0|1,1,0]=4 5151 B15R1.962 COC(C)CCOCCc1ccccc1 7a_100000764861_100000765856 [1,1,0,0,0,0|2,0,0]=4 5152 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Br 34a_100000685586_100011740612 [1,1,0,0,0,0|0,0,2]=4 5153 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Br 7a_100000685586_100011740612 [1,1,0,0,0,0|0,0,2]=4 5154 B15R1.11 C#CCC(C)OCCc1ccc(cc1)C 34a_100000685586_100011713686 [1,1,0,0,0,0|0,0,2]=4 5155 B15R1.11 C#CCC(C)OCCc1ccc(cc1)C 7a_100000685586_100011713686 [1,1,0,0,0,0|0,0,2]=4 5156 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Cl 34a_100000685586_100011713675 [1,1,0,0,0,0|0,0,2]=4 5157 B15R1.11 C#CCC(C)OCCc1ccc(cc1)Cl 7a_100000685586_100011713675 [1,1,0,0,0,0|0,0,2]=4 5158 B15R1.11 C#CCC(C)OCCc1ccc(cc1)F 34a_100000685586_100011217392 [1,1,0,0,0,0|0,0,2]=4 5159 B15R1.11 C#CCC(C)OCCc1ccc(cc1)F 7a_100000685586_100011217392 [1,1,0,0,0,0|0,0,2]=4 5160 B15R1.11 C#CCC(C)OCCc1ccc(cc1)O 7a_100000685586_100009816426 [1,1,0,0,0,0|0,0,2]=4 5161 B15R1.11 C/C=C/C(C)OCCc1ccc(cc1)Br 34a_200102604097_100011740612 [1,1,0,0,0,0|0,0,2]=4 5162 B15R1.11 C/C=C/C(C)OCCc1ccc(cc1)C 34a_200102604097_100011713686 [1,1,0,0,0,0|0,0,2]=4 5163 B15R1.11 C/C=C/C(C)OCCc1ccc(cc1)Cl 34a_200102604097_100011713675 [1,1,0,0,0,0|0,0,2]=4 5164 B15R1.11 C/C=C/C(C)OCCc1ccc(cc1)F 34a_200102604097_100011217392 [1,1,0,0,0,0|0,0,2]=4 5165 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)Br 34a_100000731007_100011740612 [1,1,0,0,0,0|0,0,2]=4 5166 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)Br 7a_100000731007_100011740612 [1,1,0,0,0,0|0,0,2]=4 5167 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)C 34a_100000731007_100011713686 [1,1,0,0,0,0|0,0,2]=4 5168 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)C 7a_100000731007_100011713686 [1,1,0,0,0,0|0,0,2]=4 5169 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)Cl 34a_100000731007_100011713675 [1,1,0,0,0,0|0,0,2]=4 5170 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)Cl 7a_100000731007_100011713675 [1,1,0,0,0,0|0,0,2]=4 5171 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)F 34a_100000731007_100011217392 [1,1,0,0,0,0|0,0,2]=4 5172 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)F 7a_100000731007_100011217392 [1,1,0,0,0,0|0,0,2]=4 5173 B15R1.11 C=CC[C@@H](C)OCCc1ccc(cc1)O 7a_100000731007_100009816426 [1,1,0,0,0,0|0,0,2]=4 5174 B15R1.11 CC#CC(C)OCCc1ccc(cc1)Br 34a_100011216543_100011740612 [1,1,0,0,0,0|0,0,2]=4 5175 B15R1.11 CC#CC(C)OCCc1ccc(cc1)C 34a_100011216543_100011713686 [1,1,0,0,0,0|0,0,2]=4 5176 B15R1.11 CC#CC(C)OCCc1ccc(cc1)Cl 34a_100011216543_100011713675 [1,1,0,0,0,0|0,0,2]=4 5177 B15R1.11 CC#CC(C)OCCc1ccc(cc1)F 34a_100011216543_100011217392 [1,1,0,0,0,0|0,0,2]=4 5178 B15R1.11 CC(CC#N)OCCc1ccc(cc1)Br 7a_100000766406_100009813641 [1,1,0,0,0,0|1,0,1]=4 5179 B15R1.11 CC(CC#N)OCCc1ccc(cc1)Cl 7a_100011219627_100009813641 [1,1,0,0,0,0|1,0,1]=4 5180 B15R1.11 CC(CC#N)OCCc1ccc(cc1)F 7a_100000754732_100009813641 [1,1,0,0,0,0|1,0,1]=4 5181 B15R1.11 CC(CC#N)OCCc1ccc(cc1)I 7a_100012291149_100009813641 [1,1,0,0,0,0|1,0,1]=4 5182 B15R1.11 CC(CCBr)OCCc1ccc(cc1)Br 34a_100012276601_100011740612 [1,1,0,0,0,0|1,0,0]=3 5183 B15R1.11 CC(CCBr)OCCc1ccc(cc1)Cl 34a_100012276601_100011713675 [1,1,0,0,0,0|1,0,0]=3 5184 B15R1.11 CC(CCBr)OCCc1ccc(cc1)F 34a_100012276601_100011217392 [1,1,0,0,0,0|1,0,0]=3 5185 B15R1.11 CC(CCO)NCCc1ccc(cc1)Br 2230a_100000755846_100009893172 [1,1,0,0,0,0|2,0,0]=4 5186 B15R1.11 CC(CCO)NCCc1ccc(cc1)Br 34a_100000755846_100009893172 [1,1,0,0,0,0|2,0,0]=4 5187 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 2230a_100000185265_100009893172 [1,1,0,0,0,0|2,0,0]=4 5188 B15R1.11 CC(CCO)NCCc1ccc(cc1)Cl 34a_100000185265_100009893172 [1,1,0,0,0,0|2,0,0]=4 5189 B15R1.11 CC(CCO)NCCc1ccc(cc1)F 2230a_100000199005_100009893172 [1,1,0,0,0,0|2,0,0]=4 5190 B15R1.11 CC(CCO)NCCc1ccc(cc1)F 34a_100000199005_100009893172 [1,1,0,0,0,0|2,0,0]=4 5191 B15R1.11 CC(CCO)NCCc1ccc(cc1)O 34a_100000743037_100009893172 [1,1,0,0,0,0|2,0,0]=4 5192 B15R1.11 CC(CCO)OCCc1ccc(cc1)Br 34a_100000766406_100009893172 [1,1,0,0,0,0|1,0,0]=3 5193 B15R1.11 CC(CCO)OCCc1ccc(cc1)Br 7a_100000766406_100009893172 [1,1,0,0,0,0|1,0,0]=3 5194 B15R1.11 CC(CCO)OCCc1ccc(cc1)Cl 34a_100011219627_100009893172 [1,1,0,0,0,0|1,0,0]=3 5195 B15R1.11 CC(CCO)OCCc1ccc(cc1)Cl 7a_100011219627_100009893172 [1,1,0,0,0,0|1,0,0]=3 5196 B15R1.11 CC(CCO)OCCc1ccc(cc1)F 34a_100000754732_100009893172 [1,1,0,0,0,0|1,0,0]=3 5197 B15R1.11 CC(CCO)OCCc1ccc(cc1)F 7a_100000754732_100009893172 [1,1,0,0,0,0|1,0,0]=3 5198 B15R1.11 CC(CCO)OCCc1ccc(cc1)I 34a_100012291149_100009893172 [1,1,0,0,0,0|1,0,0]=3 5199 B15R1.11 CC(CCO)OCCc1ccc(cc1)I 7a_100012291149_100009893172 [1,1,0,0,0,0|1,0,0]=3 5200 B15R1.11 CC(CCO)OCCc1ccc(cc1)N 34a_100011204434_100009893172 [1,1,0,0,0,0|1,0,0]=3 5201 B15R1.11 CC(CCO)OCCc1ccc(cn1)Br 34a_100012357577_100009893172 [1,1,0,0,0,0|2,0,0]=4 5202 B15R1.11 CC(CCO)OCCc1ccc(nc1)Cl 34a_100009880866_100009893172 [1,1,0,0,0,0|2,0,0]=4 5203 B15R1.11 CC(CCO)OCCc1ccc(nc1)Cl 7a_100009880866_100009893172 [1,1,0,0,0,0|2,0,0]=4 5204 B15R1.11 CC(CCO)SCCc1ccc(cc1)Br 62a_100009893172_100011740612 [1,1,0,0,0,0|1,1,0]=4 5205 B15R1.11 CC(CCO)SCCc1ccc(cc1)Br 62a_100011740612_100009893172 [1,1,0,0,0,0|1,1,0]=4 5206 B15R1.11 CC(CCO)SCCc1ccc(cc1)Cl 62a_100009893172_100011713675 [1,1,0,0,0,0|1,1,0]=4 5207 B15R1.11 CC(CCO)SCCc1ccc(cc1)Cl 62a_100011713675_100009893172 [1,1,0,0,0,0|1,1,0]=4 5208 B15R1.11 CC(CCO)SCCc1ccc(cc1)F 62a_100009893172_100011217392 [1,1,0,0,0,0|1,1,0]=4 5209 B15R1.11 CC(CCO)SCCc1ccc(cc1)F 62a_100011217392_100009893172 [1,1,0,0,0,0|1,1,0]=4 5210 B15R1.11 CC(CCO)SCCc1ccc(cc1)O 62a_100009816426_100009893172 [1,1,0,0,0,0|1,1,0]=4 5211 B15R1.11 CC(CCO)SCCc1ccc(cc1)O 62a_100009893172_100009816426 [1,1,0,0,0,0|1,1,0]=4 5212 B15R1.11 CCCC(C)CNCc1ccc(cc1)Br 2230a_100000174875_100011216630 [1,1,0,0,0,0|2,0,0]=4 5213 B15R1.11 CCCC(C)CNCc1ccc(cc1)Br 270004a_100000174875_100000243154 [1,1,0,0,0,0|2,0,0]=4 5214 B15R1.11 CCCC(C)CNCc1ccc(cc1)Br 34a_100000174875_100011216630 [1,1,0,0,0,0|2,0,0]=4 5215 B15R1.11 CCCC(C)CNCc1ccc(cc1)C 2230a_100000174908_100011216630 [1,1,0,0,0,0|2,0,0]=4 5216 B15R1.11 CCCC(C)CNCc1ccc(cc1)C 270004a_100000174908_100000243154 [1,1,0,0,0,0|2,0,0]=4 5217 B15R1.11 CCCC(C)CNCc1ccc(cc1)C 34a_100000174908_100011216630 [1,1,0,0,0,0|2,0,0]=4 5218 B15R1.11 CCCC(C)CNCc1ccc(cc1)Cl 2230a_100000174871_100011216630 [1,1,0,0,0,0|2,0,0]=4 5219 B15R1.11 CCCC(C)CNCc1ccc(cc1)Cl 270004a_100000174871_100000243154 [1,1,0,0,0,0|2,0,0]=4 5220 B15R1.11 CCCC(C)CNCc1ccc(cc1)Cl 34a_100000174871_100011216630 [1,1,0,0,0,0|2,0,0]=4 5221 B15R1.11 CCCC(C)CNCc1ccc(cc1)F 2230a_100000174882_100011216630 [1,1,0,0,0,0|2,0,0]=4 5222 B15R1.11 CCCC(C)CNCc1ccc(cc1)F 270004a_100000174882_100000243154 [1,1,0,0,0,0|2,0,0]=4 5223 B15R1.11 CCCC(C)CNCc1ccc(cc1)F 34a_100000174882_100011216630 [1,1,0,0,0,0|2,0,0]=4 5224 B15R1.11 CCCC(C)CNCc1ccc(cc1)I 2230a_100016989417_100011216630 [1,1,0,0,0,0|2,0,0]=4 5225 B15R1.11 CCCC(C)CNCc1ccc(cc1)I 270004a_100016989417_100000243154 [1,1,0,0,0,0|2,0,0]=4 5226 B15R1.11 CCCC(C)CNCc1ccc(cc1)I 34a_100016989417_100011216630 [1,1,0,0,0,0|2,0,0]=4 5227 B15R1.11 CCCC(C)CNCc1ccc(cc1)O 34a_100000185549_100011216630 [1,1,0,0,0,0|2,0,0]=4 5228 B15R1.11 CCCC(C)COCc1ccc(cc1)Br 34a_100000688023_100000189115 [1,1,0,0,0,0|2,0,0]=4 5229 B15R1.11 CCCC(C)COCc1ccc(cc1)Br 34a_100000695286_100011216630 [1,1,0,0,0,0|2,0,0]=4 5230 B15R1.11 CCCC(C)COCc1ccc(cc1)Br 7a_100000688023_100011217064 [1,1,0,0,0,0|2,0,0]=4 5231 B15R1.11 CCCC(C)COCc1ccc(cc1)C 34a_100000688023_100000210814 [1,1,0,0,0,0|2,0,0]=4 5232 B15R1.11 CCCC(C)COCc1ccc(cc1)C 34a_100011215236_100011216630 [1,1,0,0,0,0|2,0,0]=4 5233 B15R1.11 CCCC(C)COCc1ccc(cc1)C 7a_100000688023_100000210814 [1,1,0,0,0,0|2,0,0]=4 5234 B15R1.11 CCCC(C)COCc1ccc(cc1)C 7a_100011215236_100011216630 [1,1,0,0,0,0|2,0,0]=4 5235 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 34a_100000211118_100011216630 [1,1,0,0,0,0|2,0,0]=4 5236 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 34a_100000688023_100000694040 [1,1,0,0,0,0|2,0,0]=4 5237 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 7a_100000211118_100011216630 [1,1,0,0,0,0|2,0,0]=4 5238 B15R1.11 CCCC(C)COCc1ccc(cc1)Cl 7a_100000688023_100000187161 [1,1,0,0,0,0|2,0,0]=4 5239 B15R1.11 CCCC(C)COCc1ccc(cc1)F 34a_100000210977_100011216630 [1,1,0,0,0,0|2,0,0]=4 5240 B15R1.11 CCCC(C)COCc1ccc(cc1)F 34a_100000688023_100000198546 [1,1,0,0,0,0|2,0,0]=4 5241 B15R1.11 CCCC(C)COCc1ccc(cc1)F 7a_100000210977_100011216630 [1,1,0,0,0,0|2,0,0]=4 5242 B15R1.11 CCCC(C)COCc1ccc(cc1)F 7a_100000688023_100000198546 [1,1,0,0,0,0|2,0,0]=4 5243 B15R1.11 CCCC(C)COCc1ccc(cc1)I 34a_100000688023_100000189116 [1,1,0,0,0,0|2,0,0]=4 5244 B15R1.11 CCCC(C)COCc1ccc(cc1)I 34a_100000690907_100011216630 [1,1,0,0,0,0|2,0,0]=4 5245 B15R1.11 CCCC(C)COCc1ccc(cc1)I 7a_100000688023_100000189116 [1,1,0,0,0,0|2,0,0]=4 5246 B15R1.11 CCCC(C)COCc1ccc(cc1)I 7a_100000690907_100011216630 [1,1,0,0,0,0|2,0,0]=4 5247 B15R1.11 CCCC(C)COCc1ccc(cc1)N 34a_100011215238_100011216630 [1,1,0,0,0,0|2,0,0]=4 5248 B15R1.11 CCCC(C)CSCc1ccc(cc1)C 62a_100000210814_100011216630 [1,1,0,0,0,0|2,0,0]=4 5249 B15R1.11 CCCC(C)CSCc1ccc(cc1)C 62a_100011216630_100000210814 [1,1,0,0,0,0|2,0,0]=4 5250 B15R1.11 CCCC(C)CSCc1ccc(cc1)F 62a_100000198546_100011216630 [1,1,0,0,0,0|2,0,0]=4 5251 B15R1.11 CCCC(C)CSCc1ccc(cc1)F 62a_100011216630_100000187164 [1,1,0,0,0,0|2,0,0]=4 5252 B15R1.11 CCCC(C)CSCc1ccc(cc1)I 62a_100000189116_100011216630 [1,1,0,0,0,0|2,0,0]=4 5253 B15R1.11 CCCC(C)CSCc1ccc(cc1)I 62a_100011216630_100000189116 [1,1,0,0,0,0|2,0,0]=4 5254 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 2230a_100000741246_100011740612 [1,1,0,0,0,0|1,0,0]=3 5255 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000766640 [1,1,0,0,0,0|1,0,0]=3 5256 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000211909 [1,1,0,0,0,0|1,0,0]=3 5257 B15R1.11 CCCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000766640 [1,1,0,0,0,0|1,0,0]=3 5258 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000766640 [1,1,0,0,0,0|1,0,0]=3 5259 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 2230a_100000741246_100011713686 [1,1,0,0,0,0|1,0,0]=3 5260 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000211909 [1,1,0,0,0,0|1,0,0]=3 5261 B15R1.11 CCCC(C)NCCc1ccc(cc1)C 34a_100000705350_100000766640 [1,1,0,0,0,0|1,0,0]=3 5262 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000766640 [1,1,0,0,0,0|1,0,0]=3 5263 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 2230a_100000741246_100011713675 [1,1,0,0,0,0|1,0,0]=3 5264 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000211909 [1,1,0,0,0,0|1,0,0]=3 5265 B15R1.11 CCCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000766640 [1,1,0,0,0,0|1,0,0]=3 5266 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000766640 [1,1,0,0,0,0|1,0,0]=3 5267 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 2230a_100000741246_100011217392 [1,1,0,0,0,0|1,0,0]=3 5268 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000211909 [1,1,0,0,0,0|1,0,0]=3 5269 B15R1.11 CCCC(C)NCCc1ccc(cc1)F 34a_100000199005_100000766640 [1,1,0,0,0,0|1,0,0]=3 5270 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 2230a_100000741246_100009816426 [1,1,0,0,0,0|1,0,0]=3 5271 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000211909 [1,1,0,0,0,0|1,0,0]=3 5272 B15R1.11 CCCC(C)NCCc1ccc(cc1)O 34a_100000743037_100000766640 [1,1,0,0,0,0|1,0,0]=3 5273 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 34a_100000764384_100011740612 [1,1,0,0,0,0|0,0,0]=2 5274 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000766640 [1,1,0,0,0,0|0,0,0]=2 5275 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 7a_100000764384_100011740612 [1,1,0,0,0,0|0,0,0]=2 5276 B15R1.11 CCCC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000766640 [1,1,0,0,0,0|0,0,0]=2 5277 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 34a_100000756670_100000766640 [1,1,0,0,0,0|0,0,0]=2 5278 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 34a_100000764384_100011713686 [1,1,0,0,0,0|0,0,0]=2 5279 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 7a_100000756670_100000766640 [1,1,0,0,0,0|0,0,0]=2 5280 B15R1.11 CCCC(C)OCCc1ccc(cc1)C 7a_100000764384_100011713686 [1,1,0,0,0,0|0,0,0]=2 5281 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 34a_100000764384_100011713675 [1,1,0,0,0,0|0,0,0]=2 5282 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000766640 [1,1,0,0,0,0|0,0,0]=2 5283 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 7a_100000764384_100011713675 [1,1,0,0,0,0|0,0,0]=2 5284 B15R1.11 CCCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000766640 [1,1,0,0,0,0|0,0,0]=2 5285 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 34a_100000754732_100000766640 [1,1,0,0,0,0|0,0,0]=2 5286 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 34a_100000764384_100011217392 [1,1,0,0,0,0|0,0,0]=2 5287 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 7a_100000754732_100000766640 [1,1,0,0,0,0|0,0,0]=2 5288 B15R1.11 CCCC(C)OCCc1ccc(cc1)F 7a_100000764384_100011217392 [1,1,0,0,0,0|0,0,0]=2 5289 B15R1.11 CCCC(C)OCCc1ccc(cc1)I 34a_100012291149_100000766640 [1,1,0,0,0,0|0,0,0]=2 5290 B15R1.11 CCCC(C)OCCc1ccc(cc1)I 7a_100012291149_100000766640 [1,1,0,0,0,0|0,0,0]=2 5291 B15R1.11 CCCC(C)OCCc1ccc(cc1)N 34a_100011204434_100000766640 [1,1,0,0,0,0|0,0,0]=2 5292 B15R1.11 CCCC(C)OCCc1ccc(cc1)O 7a_100000764384_100009816426 [1,1,0,0,0,0|0,0,0]=2 5293 B15R1.11 CCCC(C)OCCc1ccc(cn1)Br 34a_100012357577_100000766640 [1,1,0,0,0,0|1,0,0]=3 5294 B15R1.11 CCCC(C)OCCc1ccc(nc1)C 34a_100011815783_100000766640 [1,1,0,0,0,0|1,0,0]=3 5295 B15R1.11 CCCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_100000766640 [1,1,0,0,0,0|1,0,0]=3 5296 B15R1.11 CCCC(C)OCCc1ccc(nc1)Cl 7a_100009880866_100000766640 [1,1,0,0,0,0|1,0,0]=3 5297 B15R1.11 CCCC(C)SCCc1ccc(cc1)Br 62a_100000766640_100011740612 [1,1,0,0,0,0|0,1,0]=3 5298 B15R1.11 CCCC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000766640 [1,1,0,0,0,0|0,1,0]=3 5299 B15R1.11 CCCC(C)SCCc1ccc(cc1)C 62a_100000766640_100011713686 [1,1,0,0,0,0|0,1,0]=3 5300 B15R1.11 CCCC(C)SCCc1ccc(cc1)C 62a_100011713686_100000766640 [1,1,0,0,0,0|0,1,0]=3 5301 B15R1.11 CCCC(C)SCCc1ccc(cc1)Cl 62a_100000766640_100011713675 [1,1,0,0,0,0|0,1,0]=3 5302 B15R1.11 CCCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000766640 [1,1,0,0,0,0|0,1,0]=3 5303 B15R1.11 CCCC(C)SCCc1ccc(cc1)F 62a_100000766640_100011217392 [1,1,0,0,0,0|0,1,0]=3 5304 B15R1.11 CCCC(C)SCCc1ccc(cc1)F 62a_100011217392_100000766640 [1,1,0,0,0,0|0,1,0]=3 5305 B15R1.11 CCCC(C)SCCc1ccc(cc1)O 62a_100000766640_100009816426 [1,1,0,0,0,0|0,1,0]=3 5306 B15R1.11 CCCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000766640 [1,1,0,0,0,0|0,1,0]=3 5307 B15R1.11 CCCN(C)CCCc1ccc(cc1)Br 2230a_100000747261_100011713682 [1,1,0,0,0,0|2,0,0]=4 5308 B15R1.11 CCCN(C)CCCc1ccc(cc1)Br 269982a_100000747261_100011713682 [1,1,0,0,0,0|2,0,0]=4 5309 B15R1.11 CCCN(C)CCCc1ccc(cc1)Cl 2230a_100000747261_100000759440 [1,1,0,0,0,0|2,0,0]=4 5310 B15R1.11 CCCN(C)CCCc1ccc(cc1)Cl 269982a_100000747261_100000759440 [1,1,0,0,0,0|2,0,0]=4 5311 B15R1.11 CCCN(C)CCCc1ccc(cc1)F 2230a_100000747261_200011713563 [1,1,0,0,0,0|2,0,0]=4 5312 B15R1.11 CCCN(C)CCCc1ccc(cc1)F 269982a_100000747261_200011713563 [1,1,0,0,0,0|2,0,0]=4 5313 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100000765312 [1,1,0,0,0,0|2,0,0]=4 5314 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000749346 [1,1,0,0,0,0|2,0,0]=4 5315 B15R1.11 COCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100000765312 [1,1,0,0,0,0|2,0,0]=4 5316 B15R1.11 COCC(C)NCCc1ccc(cc1)C 2230a_100000705350_100000765312 [1,1,0,0,0,0|2,0,0]=4 5317 B15R1.11 COCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000749346 [1,1,0,0,0,0|2,0,0]=4 5318 B15R1.11 COCC(C)NCCc1ccc(cc1)C 34a_100000705350_100000765312 [1,1,0,0,0,0|2,0,0]=4 5319 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100000765312 [1,1,0,0,0,0|2,0,0]=4 5320 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000749346 [1,1,0,0,0,0|2,0,0]=4 5321 B15R1.11 COCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100000765312 [1,1,0,0,0,0|2,0,0]=4 5322 B15R1.11 COCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100000765312 [1,1,0,0,0,0|2,0,0]=4 5323 B15R1.11 COCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000749346 [1,1,0,0,0,0|2,0,0]=4 5324 B15R1.11 COCC(C)NCCc1ccc(cc1)F 34a_100000199005_100000765312 [1,1,0,0,0,0|2,0,0]=4 5325 B15R1.11 COCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000749346 [1,1,0,0,0,0|2,0,0]=4 5326 B15R1.11 COCC(C)NCCc1ccc(cc1)O 34a_100000743037_100000765312 [1,1,0,0,0,0|2,0,0]=4 5327 B15R1.11 COCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100000765312 [1,1,0,0,0,0|1,0,0]=3 5328 B15R1.11 COCC(C)OCCc1ccc(cc1)Br 7a_100000766406_100000765312 [1,1,0,0,0,0|1,0,0]=3 5329 B15R1.11 COCC(C)OCCc1ccc(cc1)C 34a_100000756670_100000765312 [1,1,0,0,0,0|1,0,0]=3 5330 B15R1.11 COCC(C)OCCc1ccc(cc1)C 7a_100000756670_100000765312 [1,1,0,0,0,0|1,0,0]=3 5331 B15R1.11 COCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000765312 [1,1,0,0,0,0|1,0,0]=3 5332 B15R1.11 COCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000765312 [1,1,0,0,0,0|1,0,0]=3 5333 B15R1.11 COCC(C)OCCc1ccc(cc1)F 34a_100000754732_100000765312 [1,1,0,0,0,0|1,0,0]=3 5334 B15R1.11 COCC(C)OCCc1ccc(cc1)F 7a_100000754732_100000765312 [1,1,0,0,0,0|1,0,0]=3 5335 B15R1.11 COCC(C)OCCc1ccc(cc1)I 34a_100012291149_100000765312 [1,1,0,0,0,0|1,0,0]=3 5336 B15R1.11 COCC(C)OCCc1ccc(cc1)I 7a_100012291149_100000765312 [1,1,0,0,0,0|1,0,0]=3 5337 B15R1.11 COCC(C)OCCc1ccc(cc1)N 34a_100011204434_100000765312 [1,1,0,0,0,0|1,0,0]=3 5338 B15R1.11 COCC(C)OCCc1ccc(cn1)Br 34a_100012357577_100000765312 [1,1,0,0,0,0|2,0,0]=4 5339 B15R1.11 COCC(C)OCCc1ccc(nc1)C 34a_100011815783_100000765312 [1,1,0,0,0,0|2,0,0]=4 5340 B15R1.11 COCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_100000765312 [1,1,0,0,0,0|2,0,0]=4 5341 B15R1.11 COCC(C)OCCc1ccc(nc1)Cl 7a_100009880866_100000765312 [1,1,0,0,0,0|2,0,0]=4 5342 B15R1.11 COCC(C)SCCc1ccc(cc1)Br 62a_100000765312_100011740612 [1,1,0,0,0,0|1,1,0]=4 5343 B15R1.11 COCC(C)SCCc1ccc(cc1)Br 62a_100011740612_100000765312 [1,1,0,0,0,0|1,1,0]=4 5344 B15R1.11 COCC(C)SCCc1ccc(cc1)C 62a_100000765312_100011713686 [1,1,0,0,0,0|1,1,0]=4 5345 B15R1.11 COCC(C)SCCc1ccc(cc1)C 62a_100011713686_100000765312 [1,1,0,0,0,0|1,1,0]=4 5346 B15R1.11 COCC(C)SCCc1ccc(cc1)Cl 62a_100000765312_100011713675 [1,1,0,0,0,0|1,1,0]=4 5347 B15R1.11 COCC(C)SCCc1ccc(cc1)Cl 62a_100011713675_100000765312 [1,1,0,0,0,0|1,1,0]=4 5348 B15R1.11 COCC(C)SCCc1ccc(cc1)F 62a_100000765312_100011217392 [1,1,0,0,0,0|1,1,0]=4 5349 B15R1.11 COCC(C)SCCc1ccc(cc1)F 62a_100011217392_100000765312 [1,1,0,0,0,0|1,1,0]=4 5350 B15R1.11 COCC(C)SCCc1ccc(cc1)O 62a_100000765312_100009816426 [1,1,0,0,0,0|1,1,0]=4 5351 B15R1.11 COCC(C)SCCc1ccc(cc1)O 62a_100009816426_100000765312 [1,1,0,0,0,0|1,1,0]=4 5352 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)Br 2230a_100000764878_100011740612 [1,1,0,0,0,0|2,0,0]=4 5353 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)C 2230a_100000764878_100011713686 [1,1,0,0,0,0|2,0,0]=4 5354 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)Cl 2230a_100000764878_100011713675 [1,1,0,0,0,0|2,0,0]=4 5355 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)F 2230a_100000764878_100011217392 [1,1,0,0,0,0|2,0,0]=4 5356 B15R1.11 COC[C@@H](C)NCCc1ccc(cc1)O 2230a_100000764878_100009816426 [1,1,0,0,0,0|2,0,0]=4 5357 B15R1.11 COC[C@@H](C)OCCc1ccc(cc1)Br 34a_100011934205_100011740612 [1,1,0,0,0,0|1,0,0]=3 5358 B15R1.11 COC[C@@H](C)OCCc1ccc(cc1)C 34a_100011934205_100011713686 [1,1,0,0,0,0|1,0,0]=3 5359 B15R1.11 COC[C@@H](C)OCCc1ccc(cc1)Cl 34a_100011934205_100011713675 [1,1,0,0,0,0|1,0,0]=3 5360 B15R1.11 COC[C@@H](C)OCCc1ccc(cc1)F 34a_100011934205_100011217392 [1,1,0,0,0,0|1,0,0]=3 5361 B15R1.11 CSCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011216314 [1,1,0,0,0,0|2,0,0]=4 5362 B15R1.11 CSCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011216314 [1,1,0,0,0,0|2,0,0]=4 5363 B15R1.11 CSCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011216314 [1,1,0,0,0,0|2,0,0]=4 5364 B15R1.11 CSCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011216314 [1,1,0,0,0,0|2,0,0]=4 5365 B15R1.11 CSCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011216314 [1,1,0,0,0,0|2,0,0]=4 5366 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Br 2230a_100000706166_100011740612 [1,1,0,0,0,0|2,0,0]=4 5367 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Br 34a_100000706166_100011740612 [1,1,0,0,0,0|2,0,0]=4 5368 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 2230a_100000706166_100011713675 [1,1,0,0,0,0|2,0,0]=4 5369 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)Cl 34a_100000706166_100011713675 [1,1,0,0,0,0|2,0,0]=4 5370 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)F 2230a_100000706166_100011217392 [1,1,0,0,0,0|2,0,0]=4 5371 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)F 34a_100000706166_100011217392 [1,1,0,0,0,0|2,0,0]=4 5372 B15R1.11 C[C@H](CCO)NCCc1ccc(cc1)O 2230a_100000706166_100009816426 [1,1,0,0,0,0|2,0,0]=4 5373 B15R1.11 Cc1ccc(cc1)CCNC(C)CCO 2230a_100000705350_100009893172 [1,1,0,0,0,0|2,0,0]=4 5374 B15R1.11 Cc1ccc(cc1)CCNC(C)CCO 34a_100000705350_100009893172 [1,1,0,0,0,0|2,0,0]=4 5375 B15R1.11 Cc1ccc(cc1)CCN[C@H](C)CCO 2230a_100000706166_100011713686 [1,1,0,0,0,0|2,0,0]=4 5376 B15R1.11 Cc1ccc(cc1)CCN[C@H](C)CCO 34a_100000706166_100011713686 [1,1,0,0,0,0|2,0,0]=4 5377 B15R1.11 Cc1ccc(cc1)CCOC(C)CC#N 7a_100000756670_100009813641 [1,1,0,0,0,0|1,0,1]=4 5378 B15R1.11 Cc1ccc(cc1)CCOC(C)CCBr 34a_100012276601_100011713686 [1,1,0,0,0,0|1,0,0]=3 5379 B15R1.11 Cc1ccc(cc1)CCOC(C)CCO 34a_100000756670_100009893172 [1,1,0,0,0,0|1,0,0]=3 5380 B15R1.11 Cc1ccc(cc1)CCOC(C)CCO 7a_100000756670_100009893172 [1,1,0,0,0,0|1,0,0]=3 5381 B15R1.11 Cc1ccc(cc1)CCSC(C)CCO 62a_100009893172_100011713686 [1,1,0,0,0,0|1,1,0]=4 5382 B15R1.11 Cc1ccc(cc1)CCSC(C)CCO 62a_100011713686_100009893172 [1,1,0,0,0,0|1,1,0]=4 5383 B15R1.11 Cc1ccc(cn1)CCOC(C)CCO 34a_100011815783_100009893172 [1,1,0,0,0,0|2,0,0]=4 5384 B15R1.89 C#CCC(C)OCC(C)c1ccccc1 34a_100000685586_100000756946 [1,1,0,0,0,0|0,0,2]=4 5385 B15R1.89 C#CCC(C)OCC(C)c1ccccc1 7a_100000685586_100000756946 [1,1,0,0,0,0|0,0,2]=4 5386 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 34a_100000685586_100000185958 [1,1,0,0,0,0|0,0,2]=4 5387 B15R1.89 C#CCC(C)OCC(O)c1ccccc1 7a_100000685586_100000185958 [1,1,0,0,0,0|0,0,2]=4 5388 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 34a_100000685586_100011933945 [1,1,0,0,0,0|0,0,2]=4 5389 B15R1.89 C#CCC(C)OC[C@@H](O)c1ccccc1 7a_100000685586_100011933945 [1,1,0,0,0,0|0,0,2]=4 5390 B15R1.89 C/C=C/C(C)OCC(C)c1ccccc1 34a_200102604097_100000756946 [1,1,0,0,0,0|0,0,2]=4 5391 B15R1.89 C/C=C/C(C)OCC(O)c1ccccc1 34a_200102604097_100000185958 [1,1,0,0,0,0|0,0,2]=4 5392 B15R1.89 C/C=C/C(C)OC[C@@H](O)c1ccccc1 34a_200102604097_100011933945 [1,1,0,0,0,0|0,0,2]=4 5393 B15R1.89 C=CC[C@@H](C)OCC(C)c1ccccc1 34a_100000731007_100000756946 [1,1,0,0,0,0|0,0,2]=4 5394 B15R1.89 C=CC[C@@H](C)OCC(C)c1ccccc1 7a_100000731007_100000756946 [1,1,0,0,0,0|0,0,2]=4 5395 B15R1.89 C=CC[C@@H](C)OCC(O)c1ccccc1 34a_100000731007_100000185958 [1,1,0,0,0,0|0,0,2]=4 5396 B15R1.89 C=CC[C@@H](C)OCC(O)c1ccccc1 7a_100000731007_100000185958 [1,1,0,0,0,0|0,0,2]=4 5397 B15R1.89 C=CC[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100000731007_100011933945 [1,1,0,0,0,0|0,0,2]=4 5398 B15R1.89 C=CC[C@@H](C)OC[C@@H](O)c1ccccc1 7a_100000731007_100011933945 [1,1,0,0,0,0|0,0,2]=4 5399 B15R1.89 CC#CC(C)OCC(C)c1ccccc1 34a_100011216543_100000756946 [1,1,0,0,0,0|0,0,2]=4 5400 B15R1.89 CC#CC(C)OCC(O)c1ccccc1 34a_100011216543_100000185958 [1,1,0,0,0,0|0,0,2]=4 5401 B15R1.89 CC#CC(C)OC[C@@H](O)c1ccccc1 34a_100011216543_100011933945 [1,1,0,0,0,0|0,0,2]=4 5402 B15R1.89 CC(CC#N)OCC(C)c1ccccc1 7a_100011215166_100009813641 [1,1,0,0,0,0|1,0,1]=4 5403 B15R1.89 CC(CCBr)OCC(C)c1ccccc1 34a_100012276601_100000756946 [1,1,0,0,0,0|1,0,0]=3 5404 B15R1.89 CC(CCBr)OCC(O)c1ccccc1 34a_100012276601_100000185958 [1,1,0,0,0,0|1,0,0]=3 5405 B15R1.89 CC(CCBr)OC[C@@H](O)c1ccccc1 34a_100012276601_100011933945 [1,1,0,0,0,0|1,0,0]=3 5406 B15R1.89 CC(CCO)NCC(C)c1ccccc1 2230a_100000701038_100009893172 [1,1,0,0,0,0|2,0,0]=4 5407 B15R1.89 CC(CCO)NCC(C)c1ccccc1 34a_100000701038_100009893172 [1,1,0,0,0,0|2,0,0]=4 5408 B15R1.89 CC(CCO)NCC(O)c1ccccc1 2230a_100000210709_100009893172 [1,1,0,0,0,0|2,0,0]=4 5409 B15R1.89 CC(CCO)OCC(C)c1ccccc1 34a_100011215166_100009893172 [1,1,0,0,0,0|1,0,0]=3 5410 B15R1.89 CC(CCO)OCC(C)c1ccccc1 7a_100011215166_100009893172 [1,1,0,0,0,0|1,0,0]=3 5411 B15R1.89 CC(CCO)OC[C@@H](N)c1ccccc1 34a_100000751927_100009893172 [1,1,0,0,0,0|1,0,0]=3 5412 B15R1.89 CC(CCO)OC[C@@H](N)c1ccncc1 34a_100138412524_100009893172 [1,1,0,0,0,0|2,0,0]=4 5413 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100000756946_100009893172 [1,1,0,0,0,0|1,1,0]=4 5414 B15R1.89 CC(CCO)SCC(C)c1ccccc1 62a_100009893172_100000756946 [1,1,0,0,0,0|1,1,0]=4 5415 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100000185958_100009893172 [1,1,0,0,0,0|1,1,0]=4 5416 B15R1.89 CC(CCO)SCC(O)c1ccccc1 62a_100009893172_100000185958 [1,1,0,0,0,0|1,1,0]=4 5417 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100009893172_100011933945 [1,1,0,0,0,0|1,1,0]=4 5418 B15R1.89 CC(CCO)SC[C@@H](O)c1ccccc1 62a_100011933945_100009893172 [1,1,0,0,0,0|1,1,0]=4 5419 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 2230a_100000706166_100000756946 [1,1,0,0,0,0|2,0,0]=4 5420 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 270004a_100000706166_100000212034 [1,1,0,0,0,0|2,0,0]=4 5421 B15R1.89 CC(CN[C@H](C)CCO)c1ccccc1 34a_100000706166_100000756946 [1,1,0,0,0,0|2,0,0]=4 5422 B15R1.89 CCCC(C)CN[C@H](C)c1ccccc1 2230a_100000751104_100011216630 [1,1,0,0,0,0|2,0,0]=4 5423 B15R1.89 CCCC(C)CN[C@H](C)c1ccccc1 270004a_100000751104_100000243154 [1,1,0,0,0,0|2,0,0]=4 5424 B15R1.89 CCCC(C)COC(C)c1ccccc1 34a_100000688023_100000211855 [1,1,0,0,0,0|2,0,0]=4 5425 B15R1.89 CCCC(C)COC(C)c1ccccc1 7a_100000688023_100000230085 [1,1,0,0,0,0|2,0,0]=4 5426 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100011216630 [1,1,0,0,0,0|2,0,0]=4 5427 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100011216630 [1,1,0,0,0,0|2,0,0]=4 5428 B15R1.89 CCCC(C)CSC(C)c1ccccc1 62a_100000230085_100011216630 [1,1,0,0,0,0|2,0,0]=4 5429 B15R1.89 CCCC(C)CSC(C)c1ccccc1 62a_100011216630_100000230085 [1,1,0,0,0,0|2,0,0]=4 5430 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000766640 [1,1,0,0,0,0|1,0,0]=3 5431 B15R1.89 CCCC(C)NCC(C)c1ccccc1 2230a_100000741246_100000756946 [1,1,0,0,0,0|1,0,0]=3 5432 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211909 [1,1,0,0,0,0|1,0,0]=3 5433 B15R1.89 CCCC(C)NCC(C)c1ccccc1 270004a_100000741246_100000212034 [1,1,0,0,0,0|1,0,0]=3 5434 B15R1.89 CCCC(C)NCC(C)c1ccccc1 34a_100000701038_100000766640 [1,1,0,0,0,0|1,0,0]=3 5435 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000766640 [1,1,0,0,0,0|1,0,0]=3 5436 B15R1.89 CCCC(C)NCC(O)c1ccccc1 2230a_100000741246_100000185958 [1,1,0,0,0,0|1,0,0]=3 5437 B15R1.89 CCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211909 [1,1,0,0,0,0|1,0,0]=3 5438 B15R1.89 CCCC(C)NCC(O)c1ccccn1 2230a_100000691469_100000766640 [1,1,0,0,0,0|2,0,0]=4 5439 B15R1.89 CCCC(C)NCC(O)c1ccccn1 270004a_100000691469_100000211909 [1,1,0,0,0,0|2,0,0]=4 5440 B15R1.89 CCCC(C)NCC(O)c1cccnc1 2230a_100020605170_100000766640 [1,1,0,0,0,0|2,0,0]=4 5441 B15R1.89 CCCC(C)NCC(O)c1cccnc1 270004a_100020605170_100000211909 [1,1,0,0,0,0|2,0,0]=4 5442 B15R1.89 CCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000741246_100011933945 [1,1,0,0,0,0|1,0,0]=3 5443 B15R1.89 CCCC(C)OCC(=O)c1ccccc1 7a_100000764384_100000211460 [1,1,0,0,0,0|0,0,1]=3 5444 B15R1.89 CCCC(C)OCC(=O)c1ccccn1 34a_100000764384_100000027445 [1,1,0,0,0,0|1,0,1]=4 5445 B15R1.89 CCCC(C)OCC(=O)c1ccccn1 7a_100000764384_100000027445 [1,1,0,0,0,0|1,0,1]=4 5446 B15R1.89 CCCC(C)OCC(=O)c1ccncc1 7a_100000764384_100015248511 [1,1,0,0,0,0|1,0,1]=4 5447 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100000764384_100000756946 [1,1,0,0,0,0|0,0,0]=2 5448 B15R1.89 CCCC(C)OCC(C)c1ccccc1 34a_100011215166_100000766640 [1,1,0,0,0,0|0,0,0]=2 5449 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100000764384_100000756946 [1,1,0,0,0,0|0,0,0]=2 5450 B15R1.89 CCCC(C)OCC(C)c1ccccc1 7a_100011215166_100000766640 [1,1,0,0,0,0|0,0,0]=2 5451 B15R1.89 CCCC(C)OCC(O)c1ccccc1 34a_100000764384_100000185958 [1,1,0,0,0,0|0,0,0]=2 5452 B15R1.89 CCCC(C)OCC(O)c1ccccc1 7a_100000764384_100000185958 [1,1,0,0,0,0|0,0,0]=2 5453 B15R1.89 CCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000766640 [1,1,0,0,0,0|0,0,0]=2 5454 B15R1.89 CCCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100000766640 [1,1,0,0,0,0|1,0,0]=3 5455 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 34a_100000764384_100011933945 [1,1,0,0,0,0|0,0,0]=2 5456 B15R1.89 CCCC(C)OC[C@@H](O)c1ccccc1 7a_100000764384_100011933945 [1,1,0,0,0,0|0,0,0]=2 5457 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000766640 [1,1,0,0,0,0|0,1,1]=4 5458 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000766640_100000211460 [1,1,0,0,0,0|0,1,1]=4 5459 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000756946_100000766640 [1,1,0,0,0,0|0,1,0]=3 5460 B15R1.89 CCCC(C)SCC(C)c1ccccc1 62a_100000766640_100000756946 [1,1,0,0,0,0|0,1,0]=3 5461 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000185958_100000766640 [1,1,0,0,0,0|0,1,0]=3 5462 B15R1.89 CCCC(C)SCC(O)c1ccccc1 62a_100000766640_100000185958 [1,1,0,0,0,0|0,1,0]=3 5463 B15R1.89 CCCC(C)SCS(=O)c1ccccc1 62a_100000766640_100000031784 [1,1,0,0,0,0|1,1,0]=4 5464 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100000766640_100011933945 [1,1,0,0,0,0|0,1,0]=3 5465 B15R1.89 CCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000766640 [1,1,0,0,0,0|0,1,0]=3 5466 B15R1.89 CCCN(C)CCC(C)c1ccccc1 270004a_100000747261_100000189432 [1,1,0,0,0,0|2,0,0]=4 5467 B15R1.89 CCCN(C)CCC(O)c1ccccc1 2230a_100011218556_100000210303 [1,1,0,0,0,0|2,0,0]=4 5468 B15R1.89 CCCN(C)CCC(O)c1ccccc1 269982a_100011218556_100000210303 [1,1,0,0,0,0|2,0,0]=4 5469 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 2230a_100000747261_100000729684 [1,1,0,0,0,0|2,0,0]=4 5470 B15R1.89 CCCN(C)CC[C@@H](O)c1ccccc1 269982a_100000747261_100000729684 [1,1,0,0,0,0|2,0,0]=4 5471 B15R1.89 CCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210202 [1,1,0,0,0,0|1,0,1]=4 5472 B15R1.89 COCC(C)NCC(C)c1ccccc1 2230a_100000701038_100000765312 [1,1,0,0,0,0|2,0,0]=4 5473 B15R1.89 COCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000749346 [1,1,0,0,0,0|2,0,0]=4 5474 B15R1.89 COCC(C)NCC(C)c1ccccc1 34a_100000701038_100000765312 [1,1,0,0,0,0|2,0,0]=4 5475 B15R1.89 COCC(C)NCC(O)c1ccccc1 2230a_100000210709_100000765312 [1,1,0,0,0,0|2,0,0]=4 5476 B15R1.89 COCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000749346 [1,1,0,0,0,0|2,0,0]=4 5477 B15R1.89 COCC(C)OCC(C)c1ccccc1 34a_100011215166_100000765312 [1,1,0,0,0,0|1,0,0]=3 5478 B15R1.89 COCC(C)OCC(C)c1ccccc1 7a_100011215166_100000765312 [1,1,0,0,0,0|1,0,0]=3 5479 B15R1.89 COCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000765312 [1,1,0,0,0,0|1,0,0]=3 5480 B15R1.89 COCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100000765312 [1,1,0,0,0,0|2,0,0]=4 5481 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000756946_100000765312 [1,1,0,0,0,0|1,1,0]=4 5482 B15R1.89 COCC(C)SCC(C)c1ccccc1 62a_100000765312_100000756946 [1,1,0,0,0,0|1,1,0]=4 5483 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000185958_100000765312 [1,1,0,0,0,0|1,1,0]=4 5484 B15R1.89 COCC(C)SCC(O)c1ccccc1 62a_100000765312_100000185958 [1,1,0,0,0,0|1,1,0]=4 5485 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100000765312_100011933945 [1,1,0,0,0,0|1,1,0]=4 5486 B15R1.89 COCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100000765312 [1,1,0,0,0,0|1,1,0]=4 5487 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 2230a_100000764878_100000756946 [1,1,0,0,0,0|2,0,0]=4 5488 B15R1.89 COC[C@@H](C)NCC(C)c1ccccc1 270004a_100000764878_100000212034 [1,1,0,0,0,0|2,0,0]=4 5489 B15R1.89 COC[C@@H](C)NCC(O)c1ccccc1 2230a_100000764878_100000185958 [1,1,0,0,0,0|2,0,0]=4 5490 B15R1.89 COC[C@@H](C)NC[C@@H](O)c1ccccc1 2230a_100000764878_100011933945 [1,1,0,0,0,0|2,0,0]=4 5491 B15R1.89 COC[C@@H](C)OCC(C)c1ccccc1 34a_100011934205_100000756946 [1,1,0,0,0,0|1,0,0]=3 5492 B15R1.89 COC[C@@H](C)OCC(O)c1ccccc1 34a_100011934205_100000185958 [1,1,0,0,0,0|1,0,0]=3 5493 B15R1.89 COC[C@@H](C)OC[C@@H](O)c1ccccc1 34a_100011934205_100011933945 [1,1,0,0,0,0|1,0,0]=3 5494 B15R1.89 CSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011216314 [1,1,0,0,0,0|2,0,0]=4 5495 B15R1.89 CSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011216314 [1,1,0,0,0,0|2,0,0]=4 5496 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 2230a_100000706166_100000185958 [1,1,0,0,0,0|2,0,0]=4 5497 B15R1.89 C[C@H](CCO)NCC(O)c1ccccc1 34a_100000706166_100000185958 [1,1,0,0,0,0|2,0,0]=4 5498 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 2230a_100000706166_100011933945 [1,1,0,0,0,0|2,0,0]=4 5499 B15R1.89 C[C@H](CCO)NC[C@@H](O)c1ccccc1 34a_100000706166_100011933945 [1,1,0,0,0,0|2,0,0]=4 5500 B15R1.633 C#CCC(C)OCCc1cccc(c1)Br 34a_100000685586_100011740638 [1,1,0,0,0,0|0,0,2]=4 5501 B15R1.633 C#CCC(C)OCCc1cccc(c1)Br 7a_100000685586_100011740638 [1,1,0,0,0,0|0,0,2]=4 5502 B15R1.633 C#CCC(C)OCCc1cccc(c1)C 34a_100000685586_100011713685 [1,1,0,0,0,0|0,0,2]=4 5503 B15R1.633 C#CCC(C)OCCc1cccc(c1)C 7a_100000685586_100011713685 [1,1,0,0,0,0|0,0,2]=4 5504 B15R1.633 C#CCC(C)OCCc1cccc(c1)Cl 34a_100000685586_100011713710 [1,1,0,0,0,0|0,0,2]=4 5505 B15R1.633 C#CCC(C)OCCc1cccc(c1)Cl 7a_100000685586_100011713710 [1,1,0,0,0,0|0,0,2]=4 5506 B15R1.633 C#CCC(C)OCCc1cccc(c1)F 34a_100000685586_100011217235 [1,1,0,0,0,0|0,0,2]=4 5507 B15R1.633 C#CCC(C)OCCc1cccc(c1)F 7a_100000685586_100011217235 [1,1,0,0,0,0|0,0,2]=4 5508 B15R1.633 C/C=C/C(C)OCCc1cccc(c1)Br 34a_200102604097_100011740638 [1,1,0,0,0,0|0,0,2]=4 5509 B15R1.633 C/C=C/C(C)OCCc1cccc(c1)C 34a_200102604097_100011713685 [1,1,0,0,0,0|0,0,2]=4 5510 B15R1.633 C/C=C/C(C)OCCc1cccc(c1)Cl 34a_200102604097_100011713710 [1,1,0,0,0,0|0,0,2]=4 5511 B15R1.633 C/C=C/C(C)OCCc1cccc(c1)F 34a_200102604097_100011217235 [1,1,0,0,0,0|0,0,2]=4 5512 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)Br 34a_100000731007_100011740638 [1,1,0,0,0,0|0,0,2]=4 5513 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)Br 7a_100000731007_100011740638 [1,1,0,0,0,0|0,0,2]=4 5514 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)C 34a_100000731007_100011713685 [1,1,0,0,0,0|0,0,2]=4 5515 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)C 7a_100000731007_100011713685 [1,1,0,0,0,0|0,0,2]=4 5516 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)Cl 34a_100000731007_100011713710 [1,1,0,0,0,0|0,0,2]=4 5517 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)Cl 7a_100000731007_100011713710 [1,1,0,0,0,0|0,0,2]=4 5518 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)F 34a_100000731007_100011217235 [1,1,0,0,0,0|0,0,2]=4 5519 B15R1.633 C=CC[C@@H](C)OCCc1cccc(c1)F 7a_100000731007_100011217235 [1,1,0,0,0,0|0,0,2]=4 5520 B15R1.633 CC#CC(C)OCCc1cccc(c1)Br 34a_100011216543_100011740638 [1,1,0,0,0,0|0,0,2]=4 5521 B15R1.633 CC#CC(C)OCCc1cccc(c1)C 34a_100011216543_100011713685 [1,1,0,0,0,0|0,0,2]=4 5522 B15R1.633 CC#CC(C)OCCc1cccc(c1)Cl 34a_100011216543_100011713710 [1,1,0,0,0,0|0,0,2]=4 5523 B15R1.633 CC#CC(C)OCCc1cccc(c1)F 34a_100011216543_100011217235 [1,1,0,0,0,0|0,0,2]=4 5524 B15R1.633 CC(CC#N)OCCc1cccc(c1)Br 7a_100011217444_100009813641 [1,1,0,0,0,0|1,0,1]=4 5525 B15R1.633 CC(CC#N)OCCc1cccc(c1)Cl 7a_100000754733_100009813641 [1,1,0,0,0,0|1,0,1]=4 5526 B15R1.633 CC(CC#N)OCCc1cccc(c1)F 7a_100000763591_100009813641 [1,1,0,0,0,0|1,0,1]=4 5527 B15R1.633 CC(CCBr)OCCc1cccc(c1)Br 34a_100012276601_100011740638 [1,1,0,0,0,0|1,0,0]=3 5528 B15R1.633 CC(CCBr)OCCc1cccc(c1)Cl 34a_100012276601_100011713710 [1,1,0,0,0,0|1,0,0]=3 5529 B15R1.633 CC(CCBr)OCCc1cccc(c1)F 34a_100012276601_100011217235 [1,1,0,0,0,0|1,0,0]=3 5530 B15R1.633 CC(CCO)NCCc1cccc(c1)Br 2230a_100011207229_100009893172 [1,1,0,0,0,0|2,0,0]=4 5531 B15R1.633 CC(CCO)NCCc1cccc(c1)Br 34a_100011207229_100009893172 [1,1,0,0,0,0|2,0,0]=4 5532 B15R1.633 CC(CCO)NCCc1cccc(c1)Cl 2230a_100000185263_100009893172 [1,1,0,0,0,0|2,0,0]=4 5533 B15R1.633 CC(CCO)NCCc1cccc(c1)Cl 34a_100000185263_100009893172 [1,1,0,0,0,0|2,0,0]=4 5534 B15R1.633 CC(CCO)NCCc1cccc(c1)F 2230a_100000205154_100009893172 [1,1,0,0,0,0|2,0,0]=4 5535 B15R1.633 CC(CCO)NCCc1cccc(c1)F 34a_100000205154_100009893172 [1,1,0,0,0,0|2,0,0]=4 5536 B15R1.633 CC(CCO)NCCc1cccc(c1)O 2230a_100000747277_100009893172 [1,1,0,0,0,0|2,0,0]=4 5537 B15R1.633 CC(CCO)NCCc1cccc(c1)O 34a_100000747277_100009893172 [1,1,0,0,0,0|2,0,0]=4 5538 B15R1.633 CC(CCO)OCCc1cccc(c1)Br 34a_100011217444_100009893172 [1,1,0,0,0,0|1,0,0]=3 5539 B15R1.633 CC(CCO)OCCc1cccc(c1)Br 7a_100011217444_100009893172 [1,1,0,0,0,0|1,0,0]=3 5540 B15R1.633 CC(CCO)OCCc1cccc(c1)Cl 34a_100000754733_100009893172 [1,1,0,0,0,0|1,0,0]=3 5541 B15R1.633 CC(CCO)OCCc1cccc(c1)Cl 7a_100000754733_100009893172 [1,1,0,0,0,0|1,0,0]=3 5542 B15R1.633 CC(CCO)OCCc1cccc(c1)F 34a_100000763591_100009893172 [1,1,0,0,0,0|1,0,0]=3 5543 B15R1.633 CC(CCO)OCCc1cccc(c1)F 7a_100000763591_100009893172 [1,1,0,0,0,0|1,0,0]=3 5544 B15R1.633 CC(CCO)OCCc1cccc(c1)N 34a_100011996697_100009893172 [1,1,0,0,0,0|1,0,0]=3 5545 B15R1.633 CC(CCO)OCCc1cccc(n1)Br 34a_100010221043_100009893172 [1,1,0,0,0,0|2,0,0]=4 5546 B15R1.633 CC(CCO)OCCc1cccc(n1)Br 7a_100010221043_100009893172 [1,1,0,0,0,0|2,0,0]=4 5547 B15R1.633 CC(CCO)SCCc1cccc(c1)Br 62a_100009893172_100011740638 [1,1,0,0,0,0|1,1,0]=4 5548 B15R1.633 CC(CCO)SCCc1cccc(c1)Br 62a_100011740638_100009893172 [1,1,0,0,0,0|1,1,0]=4 5549 B15R1.633 CC(CCO)SCCc1cccc(c1)Cl 62a_100009893172_100011713710 [1,1,0,0,0,0|1,1,0]=4 5550 B15R1.633 CC(CCO)SCCc1cccc(c1)Cl 62a_100011713710_100009893172 [1,1,0,0,0,0|1,1,0]=4 5551 B15R1.633 CC(CCO)SCCc1cccc(c1)F 62a_100009893172_100011217235 [1,1,0,0,0,0|1,1,0]=4 5552 B15R1.633 CC(CCO)SCCc1cccc(c1)F 62a_100011217235_100009893172 [1,1,0,0,0,0|1,1,0]=4 5553 B15R1.633 CCCC(C)CNCc1cccc(c1)Br 2230a_100000174977_100011216630 [1,1,0,0,0,0|2,0,0]=4 5554 B15R1.633 CCCC(C)CNCc1cccc(c1)Br 270004a_100000174977_100000243154 [1,1,0,0,0,0|2,0,0]=4 5555 B15R1.633 CCCC(C)CNCc1cccc(c1)Br 34a_100000174977_100011216630 [1,1,0,0,0,0|2,0,0]=4 5556 B15R1.633 CCCC(C)CNCc1cccc(c1)C 2230a_100000185548_100011216630 [1,1,0,0,0,0|2,0,0]=4 5557 B15R1.633 CCCC(C)CNCc1cccc(c1)C 270004a_100000185548_100000243154 [1,1,0,0,0,0|2,0,0]=4 5558 B15R1.633 CCCC(C)CNCc1cccc(c1)C 34a_100000185548_100011216630 [1,1,0,0,0,0|2,0,0]=4 5559 B15R1.633 CCCC(C)CNCc1cccc(c1)Cl 2230a_100000174878_100011216630 [1,1,0,0,0,0|2,0,0]=4 5560 B15R1.633 CCCC(C)CNCc1cccc(c1)Cl 270004a_100000174878_100000243154 [1,1,0,0,0,0|2,0,0]=4 5561 B15R1.633 CCCC(C)CNCc1cccc(c1)Cl 34a_100000174878_100011216630 [1,1,0,0,0,0|2,0,0]=4 5562 B15R1.633 CCCC(C)CNCc1cccc(c1)F 2230a_100000174948_100011216630 [1,1,0,0,0,0|2,0,0]=4 5563 B15R1.633 CCCC(C)CNCc1cccc(c1)F 270004a_100000174948_100000243154 [1,1,0,0,0,0|2,0,0]=4 5564 B15R1.633 CCCC(C)CNCc1cccc(c1)F 34a_100000174948_100011216630 [1,1,0,0,0,0|2,0,0]=4 5565 B15R1.633 CCCC(C)CNCc1cccc(c1)I 2230a_100000106179_100011216630 [1,1,0,0,0,0|2,0,0]=4 5566 B15R1.633 CCCC(C)CNCc1cccc(c1)I 270004a_100000106179_100000243154 [1,1,0,0,0,0|2,0,0]=4 5567 B15R1.633 CCCC(C)CNCc1cccc(c1)I 34a_100000106179_100011216630 [1,1,0,0,0,0|2,0,0]=4 5568 B15R1.633 CCCC(C)CNCc1cccc(c1)O 2230a_100000743036_100011216630 [1,1,0,0,0,0|2,0,0]=4 5569 B15R1.633 CCCC(C)CNCc1cccc(c1)O 270004a_100000743036_100000243154 [1,1,0,0,0,0|2,0,0]=4 5570 B15R1.633 CCCC(C)CNCc1cccc(c1)O 34a_100000743036_100011216630 [1,1,0,0,0,0|2,0,0]=4 5571 B15R1.633 CCCC(C)COCc1cccc(c1)Br 34a_100000687537_100011216630 [1,1,0,0,0,0|2,0,0]=4 5572 B15R1.633 CCCC(C)COCc1cccc(c1)Br 34a_100000688023_100000698116 [1,1,0,0,0,0|2,0,0]=4 5573 B15R1.633 CCCC(C)COCc1cccc(c1)Br 7a_100000687537_100011216630 [1,1,0,0,0,0|2,0,0]=4 5574 B15R1.633 CCCC(C)COCc1cccc(c1)Br 7a_100000688023_100000211773 [1,1,0,0,0,0|2,0,0]=4 5575 B15R1.633 CCCC(C)COCc1cccc(c1)C 34a_100000688023_100000211840 [1,1,0,0,0,0|2,0,0]=4 5576 B15R1.633 CCCC(C)COCc1cccc(c1)C 34a_100011217746_100011216630 [1,1,0,0,0,0|2,0,0]=4 5577 B15R1.633 CCCC(C)COCc1cccc(c1)C 7a_100000688023_100000211840 [1,1,0,0,0,0|2,0,0]=4 5578 B15R1.633 CCCC(C)COCc1cccc(c1)C 7a_100011217746_100011216630 [1,1,0,0,0,0|2,0,0]=4 5579 B15R1.633 CCCC(C)COCc1cccc(c1)Cl 34a_100000241301_100011216630 [1,1,0,0,0,0|2,0,0]=4 5580 B15R1.633 CCCC(C)COCc1cccc(c1)Cl 34a_100000688023_100000187163 [1,1,0,0,0,0|2,0,0]=4 5581 B15R1.633 CCCC(C)COCc1cccc(c1)Cl 7a_100000241301_100011216630 [1,1,0,0,0,0|2,0,0]=4 5582 B15R1.633 CCCC(C)COCc1cccc(c1)Cl 7a_100000688023_100000187163 [1,1,0,0,0,0|2,0,0]=4 5583 B15R1.633 CCCC(C)COCc1cccc(c1)F 34a_100000210976_100011216630 [1,1,0,0,0,0|2,0,0]=4 5584 B15R1.633 CCCC(C)COCc1cccc(c1)F 34a_100000688023_100000187166 [1,1,0,0,0,0|2,0,0]=4 5585 B15R1.633 CCCC(C)COCc1cccc(c1)F 7a_100000210976_100011216630 [1,1,0,0,0,0|2,0,0]=4 5586 B15R1.633 CCCC(C)COCc1cccc(c1)F 7a_100000688023_100000230114 [1,1,0,0,0,0|2,0,0]=4 5587 B15R1.633 CCCC(C)COCc1cccc(c1)I 34a_100000688023_100011218688 [1,1,0,0,0,0|2,0,0]=4 5588 B15R1.633 CCCC(C)COCc1cccc(c1)I 34a_100011215336_100011216630 [1,1,0,0,0,0|2,0,0]=4 5589 B15R1.633 CCCC(C)COCc1cccc(c1)I 7a_100000688023_100011218688 [1,1,0,0,0,0|2,0,0]=4 5590 B15R1.633 CCCC(C)COCc1cccc(c1)I 7a_100011215336_100011216630 [1,1,0,0,0,0|2,0,0]=4 5591 B15R1.633 CCCC(C)COCc1cccc(c1)N 34a_100000211919_100011216630 [1,1,0,0,0,0|2,0,0]=4 5592 B15R1.633 CCCC(C)COCc1cccc(c1)O 34a_100000688023_100011660834 [1,1,0,0,0,0|2,0,0]=4 5593 B15R1.633 CCCC(C)COCc1cccc(c1)O 7a_100000688023_100000084143 [1,1,0,0,0,0|2,0,0]=4 5594 B15R1.633 CCCC(C)CSCc1cccc(c1)C 62a_100000211840_100011216630 [1,1,0,0,0,0|2,0,0]=4 5595 B15R1.633 CCCC(C)CSCc1cccc(c1)C 62a_100011216630_100000211840 [1,1,0,0,0,0|2,0,0]=4 5596 B15R1.633 CCCC(C)CSCc1cccc(c1)F 62a_100000230114_100011216630 [1,1,0,0,0,0|2,0,0]=4 5597 B15R1.633 CCCC(C)CSCc1cccc(c1)F 62a_100011216630_100000230114 [1,1,0,0,0,0|2,0,0]=4 5598 B15R1.633 CCCC(C)CSCc1cccc(c1)I 62a_100011216630_100011218688 [1,1,0,0,0,0|2,0,0]=4 5599 B15R1.633 CCCC(C)CSCc1cccc(c1)I 62a_100011218688_100011216630 [1,1,0,0,0,0|2,0,0]=4 5600 B15R1.633 CCCC(C)CSCc1cccc(c1)O 62a_100011216630_100011660834 [1,1,0,0,0,0|2,0,0]=4 5601 B15R1.633 CCCC(C)CSCc1cccc(c1)O 62a_100011660834_100011216630 [1,1,0,0,0,0|2,0,0]=4 5602 B15R1.633 CCCC(C)NCCc1cccc(c1)Br 2230a_100000741246_100011740638 [1,1,0,0,0,0|1,0,0]=3 5603 B15R1.633 CCCC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000766640 [1,1,0,0,0,0|1,0,0]=3 5604 B15R1.633 CCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000211909 [1,1,0,0,0,0|1,0,0]=3 5605 B15R1.633 CCCC(C)NCCc1cccc(c1)Br 34a_100011207229_100000766640 [1,1,0,0,0,0|1,0,0]=3 5606 B15R1.633 CCCC(C)NCCc1cccc(c1)C 2230a_100000741246_100011713685 [1,1,0,0,0,0|1,0,0]=3 5607 B15R1.633 CCCC(C)NCCc1cccc(c1)C 2230a_100000749837_100000766640 [1,1,0,0,0,0|1,0,0]=3 5608 B15R1.633 CCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000211909 [1,1,0,0,0,0|1,0,0]=3 5609 B15R1.633 CCCC(C)NCCc1cccc(c1)C 34a_100000749837_100000766640 [1,1,0,0,0,0|1,0,0]=3 5610 B15R1.633 CCCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000766640 [1,1,0,0,0,0|1,0,0]=3 5611 B15R1.633 CCCC(C)NCCc1cccc(c1)Cl 2230a_100000741246_100011713710 [1,1,0,0,0,0|1,0,0]=3 5612 B15R1.633 CCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000211909 [1,1,0,0,0,0|1,0,0]=3 5613 B15R1.633 CCCC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000766640 [1,1,0,0,0,0|1,0,0]=3 5614 B15R1.633 CCCC(C)NCCc1cccc(c1)F 2230a_100000205154_100000766640 [1,1,0,0,0,0|1,0,0]=3 5615 B15R1.633 CCCC(C)NCCc1cccc(c1)F 2230a_100000741246_100011217235 [1,1,0,0,0,0|1,0,0]=3 5616 B15R1.633 CCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000211909 [1,1,0,0,0,0|1,0,0]=3 5617 B15R1.633 CCCC(C)NCCc1cccc(c1)F 34a_100000205154_100000766640 [1,1,0,0,0,0|1,0,0]=3 5618 B15R1.633 CCCC(C)NCCc1cccc(c1)O 2230a_100000747277_100000766640 [1,1,0,0,0,0|1,0,0]=3 5619 B15R1.633 CCCC(C)NCCc1cccc(c1)O 34a_100000747277_100000766640 [1,1,0,0,0,0|1,0,0]=3 5620 B15R1.633 CCCC(C)NCCc1cccc(n1)C 2230a_100011824523_100000766640 [1,1,0,0,0,0|2,0,0]=4 5621 B15R1.633 CCCC(C)NCCc1cccc(n1)C 270004a_100011824523_100000211909 [1,1,0,0,0,0|2,0,0]=4 5622 B15R1.633 CCCC(C)NCCc1cccc(n1)C 34a_100011824523_100000766640 [1,1,0,0,0,0|2,0,0]=4 5623 B15R1.633 CCCC(C)OCCc1cccc(c1)Br 34a_100000764384_100011740638 [1,1,0,0,0,0|0,0,0]=2 5624 B15R1.633 CCCC(C)OCCc1cccc(c1)Br 34a_100011217444_100000766640 [1,1,0,0,0,0|0,0,0]=2 5625 B15R1.633 CCCC(C)OCCc1cccc(c1)Br 7a_100000764384_100011740638 [1,1,0,0,0,0|0,0,0]=2 5626 B15R1.633 CCCC(C)OCCc1cccc(c1)Br 7a_100011217444_100000766640 [1,1,0,0,0,0|0,0,0]=2 5627 B15R1.633 CCCC(C)OCCc1cccc(c1)C 34a_100000764384_100011713685 [1,1,0,0,0,0|0,0,0]=2 5628 B15R1.633 CCCC(C)OCCc1cccc(c1)C 34a_100011217157_100000766640 [1,1,0,0,0,0|0,0,0]=2 5629 B15R1.633 CCCC(C)OCCc1cccc(c1)C 7a_100000764384_100011713685 [1,1,0,0,0,0|0,0,0]=2 5630 B15R1.633 CCCC(C)OCCc1cccc(c1)C 7a_100011217157_100000766640 [1,1,0,0,0,0|0,0,0]=2 5631 B15R1.633 CCCC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000766640 [1,1,0,0,0,0|0,0,0]=2 5632 B15R1.633 CCCC(C)OCCc1cccc(c1)Cl 34a_100000764384_100011713710 [1,1,0,0,0,0|0,0,0]=2 5633 B15R1.633 CCCC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000766640 [1,1,0,0,0,0|0,0,0]=2 5634 B15R1.633 CCCC(C)OCCc1cccc(c1)Cl 7a_100000764384_100011713710 [1,1,0,0,0,0|0,0,0]=2 5635 B15R1.633 CCCC(C)OCCc1cccc(c1)F 34a_100000763591_100000766640 [1,1,0,0,0,0|0,0,0]=2 5636 B15R1.633 CCCC(C)OCCc1cccc(c1)F 34a_100000764384_100011217235 [1,1,0,0,0,0|0,0,0]=2 5637 B15R1.633 CCCC(C)OCCc1cccc(c1)F 7a_100000763591_100000766640 [1,1,0,0,0,0|0,0,0]=2 5638 B15R1.633 CCCC(C)OCCc1cccc(c1)F 7a_100000764384_100011217235 [1,1,0,0,0,0|0,0,0]=2 5639 B15R1.633 CCCC(C)OCCc1cccc(c1)N 34a_100011996697_100000766640 [1,1,0,0,0,0|0,0,0]=2 5640 B15R1.633 CCCC(C)OCCc1cccc(n1)Br 34a_100010221043_100000766640 [1,1,0,0,0,0|1,0,0]=3 5641 B15R1.633 CCCC(C)OCCc1cccc(n1)Br 7a_100010221043_100000766640 [1,1,0,0,0,0|1,0,0]=3 5642 B15R1.633 CCCC(C)SCCc1cccc(c1)Br 62a_100000766640_100011740638 [1,1,0,0,0,0|0,1,0]=3 5643 B15R1.633 CCCC(C)SCCc1cccc(c1)Br 62a_100011740638_100000766640 [1,1,0,0,0,0|0,1,0]=3 5644 B15R1.633 CCCC(C)SCCc1cccc(c1)C 62a_100000766640_100011713685 [1,1,0,0,0,0|0,1,0]=3 5645 B15R1.633 CCCC(C)SCCc1cccc(c1)C 62a_100011713685_100000766640 [1,1,0,0,0,0|0,1,0]=3 5646 B15R1.633 CCCC(C)SCCc1cccc(c1)Cl 62a_100000766640_100011713710 [1,1,0,0,0,0|0,1,0]=3 5647 B15R1.633 CCCC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000766640 [1,1,0,0,0,0|0,1,0]=3 5648 B15R1.633 CCCC(C)SCCc1cccc(c1)F 62a_100000766640_100011217235 [1,1,0,0,0,0|0,1,0]=3 5649 B15R1.633 CCCC(C)SCCc1cccc(c1)F 62a_100011217235_100000766640 [1,1,0,0,0,0|0,1,0]=3 5650 B15R1.633 CCCN(C)CCCc1cccc(c1)Br 2230a_100000747261_100011713683 [1,1,0,0,0,0|2,0,0]=4 5651 B15R1.633 CCCN(C)CCCc1cccc(c1)Br 269982a_100000747261_100011713683 [1,1,0,0,0,0|2,0,0]=4 5652 B15R1.633 CCCN(C)CCCc1cccc(c1)F 2230a_100000747261_200000698031 [1,1,0,0,0,0|2,0,0]=4 5653 B15R1.633 CCCN(C)CCCc1cccc(c1)F 269982a_100000747261_200000698031 [1,1,0,0,0,0|2,0,0]=4 5654 B15R1.633 COCC(C)NCCc1cccc(c1)Br 2230a_100011207229_100000765312 [1,1,0,0,0,0|2,0,0]=4 5655 B15R1.633 COCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000749346 [1,1,0,0,0,0|2,0,0]=4 5656 B15R1.633 COCC(C)NCCc1cccc(c1)Br 34a_100011207229_100000765312 [1,1,0,0,0,0|2,0,0]=4 5657 B15R1.633 COCC(C)NCCc1cccc(c1)C 2230a_100000749837_100000765312 [1,1,0,0,0,0|2,0,0]=4 5658 B15R1.633 COCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000749346 [1,1,0,0,0,0|2,0,0]=4 5659 B15R1.633 COCC(C)NCCc1cccc(c1)C 34a_100000749837_100000765312 [1,1,0,0,0,0|2,0,0]=4 5660 B15R1.633 COCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100000765312 [1,1,0,0,0,0|2,0,0]=4 5661 B15R1.633 COCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000749346 [1,1,0,0,0,0|2,0,0]=4 5662 B15R1.633 COCC(C)NCCc1cccc(c1)Cl 34a_100000185263_100000765312 [1,1,0,0,0,0|2,0,0]=4 5663 B15R1.633 COCC(C)NCCc1cccc(c1)F 2230a_100000205154_100000765312 [1,1,0,0,0,0|2,0,0]=4 5664 B15R1.633 COCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000749346 [1,1,0,0,0,0|2,0,0]=4 5665 B15R1.633 COCC(C)NCCc1cccc(c1)F 34a_100000205154_100000765312 [1,1,0,0,0,0|2,0,0]=4 5666 B15R1.633 COCC(C)NCCc1cccc(c1)O 2230a_100000747277_100000765312 [1,1,0,0,0,0|2,0,0]=4 5667 B15R1.633 COCC(C)NCCc1cccc(c1)O 34a_100000747277_100000765312 [1,1,0,0,0,0|2,0,0]=4 5668 B15R1.633 COCC(C)OCCc1cccc(c1)Br 34a_100011217444_100000765312 [1,1,0,0,0,0|1,0,0]=3 5669 B15R1.633 COCC(C)OCCc1cccc(c1)Br 7a_100011217444_100000765312 [1,1,0,0,0,0|1,0,0]=3 5670 B15R1.633 COCC(C)OCCc1cccc(c1)C 34a_100011217157_100000765312 [1,1,0,0,0,0|1,0,0]=3 5671 B15R1.633 COCC(C)OCCc1cccc(c1)C 7a_100011217157_100000765312 [1,1,0,0,0,0|1,0,0]=3 5672 B15R1.633 COCC(C)OCCc1cccc(c1)Cl 34a_100000754733_100000765312 [1,1,0,0,0,0|1,0,0]=3 5673 B15R1.633 COCC(C)OCCc1cccc(c1)Cl 7a_100000754733_100000765312 [1,1,0,0,0,0|1,0,0]=3 5674 B15R1.633 COCC(C)OCCc1cccc(c1)F 34a_100000763591_100000765312 [1,1,0,0,0,0|1,0,0]=3 5675 B15R1.633 COCC(C)OCCc1cccc(c1)F 7a_100000763591_100000765312 [1,1,0,0,0,0|1,0,0]=3 5676 B15R1.633 COCC(C)OCCc1cccc(c1)N 34a_100011996697_100000765312 [1,1,0,0,0,0|1,0,0]=3 5677 B15R1.633 COCC(C)OCCc1cccc(n1)Br 34a_100010221043_100000765312 [1,1,0,0,0,0|2,0,0]=4 5678 B15R1.633 COCC(C)OCCc1cccc(n1)Br 7a_100010221043_100000765312 [1,1,0,0,0,0|2,0,0]=4 5679 B15R1.633 COCC(C)SCCc1cccc(c1)Br 62a_100000765312_100011740638 [1,1,0,0,0,0|1,1,0]=4 5680 B15R1.633 COCC(C)SCCc1cccc(c1)Br 62a_100011740638_100000765312 [1,1,0,0,0,0|1,1,0]=4 5681 B15R1.633 COCC(C)SCCc1cccc(c1)C 62a_100000765312_100011713685 [1,1,0,0,0,0|1,1,0]=4 5682 B15R1.633 COCC(C)SCCc1cccc(c1)C 62a_100011713685_100000765312 [1,1,0,0,0,0|1,1,0]=4 5683 B15R1.633 COCC(C)SCCc1cccc(c1)Cl 62a_100000765312_100011713710 [1,1,0,0,0,0|1,1,0]=4 5684 B15R1.633 COCC(C)SCCc1cccc(c1)Cl 62a_100011713710_100000765312 [1,1,0,0,0,0|1,1,0]=4 5685 B15R1.633 COCC(C)SCCc1cccc(c1)F 62a_100000765312_100011217235 [1,1,0,0,0,0|1,1,0]=4 5686 B15R1.633 COCC(C)SCCc1cccc(c1)F 62a_100011217235_100000765312 [1,1,0,0,0,0|1,1,0]=4 5687 B15R1.633 COC[C@@H](C)NCCc1cccc(c1)Br 2230a_100000764878_100011740638 [1,1,0,0,0,0|2,0,0]=4 5688 B15R1.633 COC[C@@H](C)NCCc1cccc(c1)C 2230a_100000764878_100011713685 [1,1,0,0,0,0|2,0,0]=4 5689 B15R1.633 COC[C@@H](C)NCCc1cccc(c1)Cl 2230a_100000764878_100011713710 [1,1,0,0,0,0|2,0,0]=4 5690 B15R1.633 COC[C@@H](C)NCCc1cccc(c1)F 2230a_100000764878_100011217235 [1,1,0,0,0,0|2,0,0]=4 5691 B15R1.633 COC[C@@H](C)OCCc1cccc(c1)Br 34a_100011934205_100011740638 [1,1,0,0,0,0|1,0,0]=3 5692 B15R1.633 COC[C@@H](C)OCCc1cccc(c1)C 34a_100011934205_100011713685 [1,1,0,0,0,0|1,0,0]=3 5693 B15R1.633 COC[C@@H](C)OCCc1cccc(c1)Cl 34a_100011934205_100011713710 [1,1,0,0,0,0|1,0,0]=3 5694 B15R1.633 COC[C@@H](C)OCCc1cccc(c1)F 34a_100011934205_100011217235 [1,1,0,0,0,0|1,0,0]=3 5695 B15R1.633 CSCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011216314 [1,1,0,0,0,0|2,0,0]=4 5696 B15R1.633 CSCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011216314 [1,1,0,0,0,0|2,0,0]=4 5697 B15R1.633 CSCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011216314 [1,1,0,0,0,0|2,0,0]=4 5698 B15R1.633 CSCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011216314 [1,1,0,0,0,0|2,0,0]=4 5699 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)Br 2230a_100000706166_100011740638 [1,1,0,0,0,0|2,0,0]=4 5700 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)Br 34a_100000706166_100011740638 [1,1,0,0,0,0|2,0,0]=4 5701 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)Cl 2230a_100000706166_100011713710 [1,1,0,0,0,0|2,0,0]=4 5702 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)Cl 34a_100000706166_100011713710 [1,1,0,0,0,0|2,0,0]=4 5703 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)F 2230a_100000706166_100011217235 [1,1,0,0,0,0|2,0,0]=4 5704 B15R1.633 C[C@H](CCO)NCCc1cccc(c1)F 34a_100000706166_100011217235 [1,1,0,0,0,0|2,0,0]=4 5705 B15R1.633 Cc1cccc(c1)CCNC(C)CCO 2230a_100000749837_100009893172 [1,1,0,0,0,0|2,0,0]=4 5706 B15R1.633 Cc1cccc(c1)CCNC(C)CCO 34a_100000749837_100009893172 [1,1,0,0,0,0|2,0,0]=4 5707 B15R1.633 Cc1cccc(c1)CCN[C@H](C)CCO 2230a_100000706166_100011713685 [1,1,0,0,0,0|2,0,0]=4 5708 B15R1.633 Cc1cccc(c1)CCN[C@H](C)CCO 34a_100000706166_100011713685 [1,1,0,0,0,0|2,0,0]=4 5709 B15R1.633 Cc1cccc(c1)CCOC(C)CC#N 7a_100011217157_100009813641 [1,1,0,0,0,0|1,0,1]=4 5710 B15R1.633 Cc1cccc(c1)CCOC(C)CCBr 34a_100012276601_100011713685 [1,1,0,0,0,0|1,0,0]=3 5711 B15R1.633 Cc1cccc(c1)CCOC(C)CCO 34a_100011217157_100009893172 [1,1,0,0,0,0|1,0,0]=3 5712 B15R1.633 Cc1cccc(c1)CCOC(C)CCO 7a_100011217157_100009893172 [1,1,0,0,0,0|1,0,0]=3 5713 B15R1.633 Cc1cccc(c1)CCSC(C)CCO 62a_100009893172_100011713685 [1,1,0,0,0,0|1,1,0]=4 5714 B15R1.633 Cc1cccc(c1)CCSC(C)CCO 62a_100011713685_100009893172 [1,1,0,0,0,0|1,1,0]=4 5715 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 34a_100000685586_200011218536 [1,1,0,0,0,0|0,0,2]=4 5716 B15R1.809 C#CCC(C)OC(C)Cc1ccccc1 7a_100000685586_200011218536 [1,1,0,0,0,0|0,0,2]=4 5717 B15R1.809 C/C=C/C(C)OC(C)Cc1ccccc1 34a_200102604097_200011218536 [1,1,0,0,0,0|0,0,2]=4 5718 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 34a_100000731007_200011218536 [1,1,0,0,0,0|0,0,2]=4 5719 B15R1.809 C=CC[C@@H](C)OC(C)Cc1ccccc1 7a_100000731007_200011218536 [1,1,0,0,0,0|0,0,2]=4 5720 B15R1.809 CC#CC(C)OC(C)Cc1ccccc1 34a_100011216543_200011218536 [1,1,0,0,0,0|0,0,2]=4 5721 B15R1.809 CC(CC#N)OC(C)Cc1ccccc1 7a_100000748627_100009813641 [1,1,0,0,0,0|1,0,1]=4 5722 B15R1.809 CC(CCBr)OC(C)Cc1ccccc1 34a_100012276601_200011218536 [1,1,0,0,0,0|1,0,0]=3 5723 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 34a_100000748627_100009893172 [1,1,0,0,0,0|1,0,0]=3 5724 B15R1.809 CC(CCO)OC(C)Cc1ccccc1 7a_100000748627_100009893172 [1,1,0,0,0,0|1,0,0]=3 5725 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_100009893172_200011218536 [1,1,0,0,0,0|1,1,0]=4 5726 B15R1.809 CC(CCO)SC(C)Cc1ccccc1 62a_200011218536_100009893172 [1,1,0,0,0,0|1,1,0]=4 5727 B15R1.809 CC(Cc1ccccc1)N[C@H](C)CCO 34a_100000706166_200011218536 [1,1,0,0,0,0|2,0,0]=4 5728 B15R1.809 CCCC(C)CC(=O)Cc1ccccc1 1458a_100000748435_100015291786 [1,1,0,0,0,0|1,0,1]=4 5729 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 2230a_100000186898_100011216630 [1,1,0,0,0,0|2,0,0]=4 5730 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 269982a_100000186898_100011216630 [1,1,0,0,0,0|2,0,0]=4 5731 B15R1.809 CCCC(C)CN(C)Cc1ccccc1 270004a_100000186898_100000243154 [1,1,0,0,0,0|2,0,0]=4 5732 B15R1.809 CCCC(C)NC(C)C[n+]1ccccc1 270004a_100000741246_100000034229 [1,1,0,0,0,0|2,0,0]=4 5733 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 2230a_100000238496_100000766640 [1,1,0,0,0,0|2,0,0]=4 5734 B15R1.809 CCCC(C)NC(C)Cc1ccccn1 270004a_100000238496_100000211909 [1,1,0,0,0,0|2,0,0]=4 5735 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 2230a_100011207255_100000766640 [1,1,0,0,0,0|2,0,0]=4 5736 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100000741246_100015187140 [1,1,0,0,0,0|2,0,0]=4 5737 B15R1.809 CCCC(C)NC(C)Cc1cccnc1 270004a_100011207255_100000211909 [1,1,0,0,0,0|2,0,0]=4 5738 B15R1.809 CCCC(C)NC(C)Cc1ccncc1 270004a_100000741246_100000238508 [1,1,0,0,0,0|2,0,0]=4 5739 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000766640 [1,1,0,0,0,0|0,0,0]=2 5740 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 34a_100000764384_200011218536 [1,1,0,0,0,0|0,0,0]=2 5741 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000766640 [1,1,0,0,0,0|0,0,0]=2 5742 B15R1.809 CCCC(C)OC(C)Cc1ccccc1 7a_100000764384_200011218536 [1,1,0,0,0,0|0,0,0]=2 5743 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_100000766640_200011218536 [1,1,0,0,0,0|0,1,0]=3 5744 B15R1.809 CCCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000766640 [1,1,0,0,0,0|0,1,0]=3 5745 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 2230a_100000747261_100000729385 [1,1,0,0,0,0|2,0,0]=4 5746 B15R1.809 CCCN(C)C[C@@H](O)Cc1ccccc1 269982a_100000747261_100000729385 [1,1,0,0,0,0|2,0,0]=4 5747 B15R1.809 COCC(C)OC(C)Cc1ccccc1 34a_100000748627_100000765312 [1,1,0,0,0,0|1,0,0]=3 5748 B15R1.809 COCC(C)OC(C)Cc1ccccc1 7a_100000748627_100000765312 [1,1,0,0,0,0|1,0,0]=3 5749 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_100000765312_200011218536 [1,1,0,0,0,0|1,1,0]=4 5750 B15R1.809 COCC(C)SC(C)Cc1ccccc1 62a_200011218536_100000765312 [1,1,0,0,0,0|1,1,0]=4 5751 B15R1.809 COC[C@@H](C)OC(C)Cc1ccccc1 34a_100011934205_200011218536 [1,1,0,0,0,0|1,0,0]=3 5752 B15R1.826 CC(CCO)C(=O)CCc1ccccc1 1458a_100000185753_100009893172 [1,1,0,0,0,0|2,0,0]=4 5753 B15R1.826 CC(CCO)N(C)CCc1ccccc1 2230a_100000207497_100009893172 [1,1,0,0,0,0|2,0,0]=4 5754 B15R1.826 CC(CCO)N(C)CCc1ccccc1 2230a_100000731037_100000765856 [1,1,0,0,0,0|2,0,0]=4 5755 B15R1.826 CC(CCO)N(C)CCc1ccccc1 269982a_100000207497_100009893172 [1,1,0,0,0,0|2,0,0]=4 5756 B15R1.826 CC(CCO)N(C)CCc1ccccc1 269982a_100000731037_100000765856 [1,1,0,0,0,0|2,0,0]=4 5757 B15R1.826 CCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000766640 [1,1,0,0,0,0|1,0,0]=3 5758 B15R1.826 CCCC(C)C(=O)CCc1ccccc1 1458a_100000210906_100000765856 [1,1,0,0,0,0|1,0,0]=3 5759 B15R1.826 CCCC(C)C(=O)CCc1ccccn1 1458a_100000210906_100015183660 [1,1,0,0,0,0|2,0,0]=4 5760 B15R1.826 CCCC(C)C(=O)CCc1ccccn1 1458a_100015195070_100000766640 [1,1,0,0,0,0|2,0,0]=4 5761 B15R1.826 CCCC(C)C(=O)CCc1cccnc1 1458a_100000198484_100000766640 [1,1,0,0,0,0|2,0,0]=4 5762 B15R1.826 CCCC(C)C(=O)CCc1cccnc1 1458a_100000210906_200011713674 [1,1,0,0,0,0|2,0,0]=4 5763 B15R1.826 CCCC(C)C(=O)CCc1ccncc1 1458a_100000210906_100000723409 [1,1,0,0,0,0|2,0,0]=4 5764 B15R1.826 CCCC(C)C(=O)CCc1ccncc1 1458a_100011225043_100000766640 [1,1,0,0,0,0|2,0,0]=4 5765 B15R1.826 CCCC(C)C(=O)COc1ccccc1 1458a_100000186222_100000766640 [1,1,0,0,0,0|2,0,0]=4 5766 B15R1.826 CCCC(C)C(=O)CSc1ccccc1 1458a_100000211596_100000766640 [1,1,0,0,0,0|2,0,0]=4 5767 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 11a_100015324214_100000210906 [1,1,0,0,0,0|2,0,0]=4 5768 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000210906 [1,1,0,0,0,0|2,0,0]=4 5769 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000210906 [1,1,0,0,0,0|2,0,0]=4 5770 B15R1.826 CCCC(C)C(=O)NCc1ccccc1 527a_100015324214_100000210906 [1,1,0,0,0,0|2,0,0]=4 5771 B15R1.826 CCCC(C)C(C)NCc1ccccc1 270004a_100015324214_100011216282 [1,1,0,0,0,0|2,0,0]=4 5772 B15R1.826 CCCC(C)C(C)OCc1ccccc1 34a_100000708338_100015291786 [1,1,0,0,0,0|2,0,0]=4 5773 B15R1.826 CCCC(C)C(C)OCc1ccccc1 7a_100000708338_100000211182 [1,1,0,0,0,0|2,0,0]=4 5774 B15R1.826 CCCC(C)N(C)CCc1ccccc1 2230a_100000207497_100000766640 [1,1,0,0,0,0|1,0,0]=3 5775 B15R1.826 CCCC(C)N(C)CCc1ccccc1 269982a_100000207497_100000766640 [1,1,0,0,0,0|1,0,0]=3 5776 B15R1.826 CCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000211909 [1,1,0,0,0,0|1,0,0]=3 5777 B15R1.826 CCCC(C)N(C)CCc1ccccn1 2230a_100000737206_100000766640 [1,1,0,0,0,0|2,0,0]=4 5778 B15R1.826 CCCC(C)N(C)CCc1ccccn1 269982a_100000737206_100000766640 [1,1,0,0,0,0|2,0,0]=4 5779 B15R1.826 CCCC(C)N(C)CCc1ccccn1 270004a_100000737206_100000211909 [1,1,0,0,0,0|2,0,0]=4 5780 B15R1.826 CCCC(C)N(C)CCc1cccnc1 2230a_100000763209_100000766640 [1,1,0,0,0,0|2,0,0]=4 5781 B15R1.826 CCCC(C)N(C)CCc1cccnc1 269982a_100000763209_100000766640 [1,1,0,0,0,0|2,0,0]=4 5782 B15R1.826 CCCC(C)N(C)CCc1cccnc1 270004a_100000763209_100000211909 [1,1,0,0,0,0|2,0,0]=4 5783 B15R1.826 CCCC(C)N(C)CCc1ccncc1 2230a_100000742850_100000766640 [1,1,0,0,0,0|2,0,0]=4 5784 B15R1.826 CCCC(C)N(C)CCc1ccncc1 269982a_100000742850_100000766640 [1,1,0,0,0,0|2,0,0]=4 5785 B15R1.826 CCCC(C)N(C)CCc1ccncc1 270004a_100000742850_100000211909 [1,1,0,0,0,0|2,0,0]=4 5786 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 11a_100000747261_100000185753 [1,1,0,0,0,0|2,0,0]=4 5787 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 1626a_100000747261_100000185753 [1,1,0,0,0,0|2,0,0]=4 5788 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 240690a_100000747261_100000185753 [1,1,0,0,0,0|2,0,0]=4 5789 B15R1.826 CCCN(C)C(=O)CCc1ccccc1 527a_100000747261_100000185753 [1,1,0,0,0,0|2,0,0]=4 5790 B15R1.826 CCCN(C)C(C)CCc1ccccc1 270004a_100000747261_100000210092 [1,1,0,0,0,0|2,0,0]=4 5791 B15R1.826 CCC[C@H](O)C(=O)CCc1ccccc1 1458a_100009822183_100000765856 [1,1,0,0,0,0|2,0,0]=4 5792 B15R1.826 CCOC(C)C(=O)CCc1ccccc1 1458a_100000739345_100000765856 [1,1,0,0,0,0|1,0,0]=3 5793 B15R1.826 CCOC(C)C(=O)CCc1ccccn1 1458a_100000739345_100015183660 [1,1,0,0,0,0|2,0,0]=4 5794 B15R1.826 CCOC(C)C(=O)CCc1cccnc1 1458a_100000739345_200011713674 [1,1,0,0,0,0|2,0,0]=4 5795 B15R1.826 CCOC(C)C(=O)CCc1ccncc1 1458a_100000739345_100000723409 [1,1,0,0,0,0|2,0,0]=4 5796 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 11a_100015324214_100000739345 [1,1,0,0,0,0|2,0,0]=4 5797 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 1626a_100015324214_100000739345 [1,1,0,0,0,0|2,0,0]=4 5798 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 240690a_100015324214_100000739345 [1,1,0,0,0,0|2,0,0]=4 5799 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 34a_100121572206_200011934207 [1,1,0,0,0,0|2,0,0]=4 5800 B15R1.826 CCOC(C)C(=O)NCc1ccccc1 527a_100015324214_100000739345 [1,1,0,0,0,0|2,0,0]=4 5801 B15R1.826 CCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210202 [1,1,0,0,0,0|2,0,0]=4 5802 B15R1.826 CCSC(C)C(=O)CCc1ccccc1 1458a_100000230601_100000765856 [1,1,0,0,0,0|1,1,0]=4 5803 B15R1.826 COCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100000765312 [1,1,0,0,0,0|2,0,0]=4 5804 B15R1.826 COCC(C)C(=O)CCc1ccccc1 1458a_100000751857_100000765856 [1,1,0,0,0,0|2,0,0]=4 5805 B15R1.826 COCC(C)N(C)CCc1ccccc1 2230a_100000207497_100000765312 [1,1,0,0,0,0|2,0,0]=4 5806 B15R1.826 COCC(C)N(C)CCc1ccccc1 269982a_100000207497_100000765312 [1,1,0,0,0,0|2,0,0]=4 5807 B15R1.826 COCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000749346 [1,1,0,0,0,0|2,0,0]=4 5808 B15R1.826 CSCC(C)C(=O)CCc1ccccc1 1458a_100000753918_100000765856 [1,1,0,0,0,0|2,0,0]=4 5809 B15R1.826 CSCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011216314 [1,1,0,0,0,0|2,0,0]=4 5810 B15R1.1252 C#CCC(C)OCCc1ccccc1Br 34a_100000685586_100012161201 [1,1,0,0,0,0|0,0,2]=4 5811 B15R1.1252 C#CCC(C)OCCc1ccccc1Br 7a_100000685586_100012161201 [1,1,0,0,0,0|0,0,2]=4 5812 B15R1.1252 C#CCC(C)OCCc1ccccc1C 34a_100000685586_100011713688 [1,1,0,0,0,0|0,0,2]=4 5813 B15R1.1252 C#CCC(C)OCCc1ccccc1C 7a_100000685586_100011713688 [1,1,0,0,0,0|0,0,2]=4 5814 B15R1.1252 C#CCC(C)OCCc1ccccc1Cl 34a_100000685586_100011713703 [1,1,0,0,0,0|0,0,2]=4 5815 B15R1.1252 C#CCC(C)OCCc1ccccc1Cl 7a_100000685586_100011713703 [1,1,0,0,0,0|0,0,2]=4 5816 B15R1.1252 C#CCC(C)OCCc1ccccc1F 34a_100000685586_100000720011 [1,1,0,0,0,0|0,0,2]=4 5817 B15R1.1252 C#CCC(C)OCCc1ccccc1F 7a_100000685586_100000720011 [1,1,0,0,0,0|0,0,2]=4 5818 B15R1.1252 C#CCC(C)OCCc1ccccc1O 34a_100000685586_100000722297 [1,1,0,0,0,0|0,0,2]=4 5819 B15R1.1252 C#CCC(C)OCCc1ccccc1O 7a_100000685586_100000722297 [1,1,0,0,0,0|0,0,2]=4 5820 B15R1.1252 C/C=C/C(C)OCCc1ccccc1Br 34a_200102604097_100012161201 [1,1,0,0,0,0|0,0,2]=4 5821 B15R1.1252 C/C=C/C(C)OCCc1ccccc1C 34a_200102604097_100011713688 [1,1,0,0,0,0|0,0,2]=4 5822 B15R1.1252 C/C=C/C(C)OCCc1ccccc1Cl 34a_200102604097_100011713703 [1,1,0,0,0,0|0,0,2]=4 5823 B15R1.1252 C/C=C/C(C)OCCc1ccccc1F 34a_200102604097_100000720011 [1,1,0,0,0,0|0,0,2]=4 5824 B15R1.1252 C/C=C/C(C)OCCc1ccccc1O 34a_200102604097_100000722297 [1,1,0,0,0,0|0,0,2]=4 5825 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1Br 34a_100000731007_100012161201 [1,1,0,0,0,0|0,0,2]=4 5826 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1Br 7a_100000731007_100012161201 [1,1,0,0,0,0|0,0,2]=4 5827 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1C 34a_100000731007_100011713688 [1,1,0,0,0,0|0,0,2]=4 5828 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1C 7a_100000731007_100011713688 [1,1,0,0,0,0|0,0,2]=4 5829 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1Cl 34a_100000731007_100011713703 [1,1,0,0,0,0|0,0,2]=4 5830 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1Cl 7a_100000731007_100011713703 [1,1,0,0,0,0|0,0,2]=4 5831 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1F 34a_100000731007_100000720011 [1,1,0,0,0,0|0,0,2]=4 5832 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1F 7a_100000731007_100000720011 [1,1,0,0,0,0|0,0,2]=4 5833 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1O 34a_100000731007_100000722297 [1,1,0,0,0,0|0,0,2]=4 5834 B15R1.1252 C=CC[C@@H](C)OCCc1ccccc1O 7a_100000731007_100000722297 [1,1,0,0,0,0|0,0,2]=4 5835 B15R1.1252 CC#CC(C)OCCc1ccccc1Br 34a_100011216543_100012161201 [1,1,0,0,0,0|0,0,2]=4 5836 B15R1.1252 CC#CC(C)OCCc1ccccc1C 34a_100011216543_100011713688 [1,1,0,0,0,0|0,0,2]=4 5837 B15R1.1252 CC#CC(C)OCCc1ccccc1Cl 34a_100011216543_100011713703 [1,1,0,0,0,0|0,0,2]=4 5838 B15R1.1252 CC#CC(C)OCCc1ccccc1F 34a_100011216543_100000720011 [1,1,0,0,0,0|0,0,2]=4 5839 B15R1.1252 CC#CC(C)OCCc1ccccc1O 34a_100011216543_100000722297 [1,1,0,0,0,0|0,0,2]=4 5840 B15R1.1252 CC(CC#N)OCCc1ccccc1Br 7a_100000731337_100009813641 [1,1,0,0,0,0|1,0,1]=4 5841 B15R1.1252 CC(CC#N)OCCc1ccccc1Cl 7a_100011215284_100009813641 [1,1,0,0,0,0|1,0,1]=4 5842 B15R1.1252 CC(CC#N)OCCc1ccccc1F 7a_100000753711_100009813641 [1,1,0,0,0,0|1,0,1]=4 5843 B15R1.1252 CC(CC#N)OCCc1ccccc1I 7a_100010255290_100009813641 [1,1,0,0,0,0|1,0,1]=4 5844 B15R1.1252 CC(CCBr)OCCc1ccccc1Br 34a_100012276601_100012161201 [1,1,0,0,0,0|1,0,0]=3 5845 B15R1.1252 CC(CCBr)OCCc1ccccc1Cl 34a_100012276601_100011713703 [1,1,0,0,0,0|1,0,0]=3 5846 B15R1.1252 CC(CCBr)OCCc1ccccc1F 34a_100012276601_100000720011 [1,1,0,0,0,0|1,0,0]=3 5847 B15R1.1252 CC(CCBr)OCCc1ccccc1O 34a_100012276601_100000722297 [1,1,0,0,0,0|1,0,0]=3 5848 B15R1.1252 CC(CCO)NCCc1ccccc1Br 2230a_100000747383_100009893172 [1,1,0,0,0,0|2,0,0]=4 5849 B15R1.1252 CC(CCO)NCCc1ccccc1Br 34a_100000747383_100009893172 [1,1,0,0,0,0|2,0,0]=4 5850 B15R1.1252 CC(CCO)NCCc1ccccc1Cl 2230a_100011207228_100009893172 [1,1,0,0,0,0|2,0,0]=4 5851 B15R1.1252 CC(CCO)NCCc1ccccc1Cl 34a_100011207228_100009893172 [1,1,0,0,0,0|2,0,0]=4 5852 B15R1.1252 CC(CCO)NCCc1ccccc1F 2230a_100000185272_100009893172 [1,1,0,0,0,0|2,0,0]=4 5853 B15R1.1252 CC(CCO)NCCc1ccccc1F 34a_100000185272_100009893172 [1,1,0,0,0,0|2,0,0]=4 5854 B15R1.1252 CC(CCO)NCCc1ccccc1O 34a_100011207237_100009893172 [1,1,0,0,0,0|2,0,0]=4 5855 B15R1.1252 CC(CCO)OCCc1ccccc1Br 34a_100000731337_100009893172 [1,1,0,0,0,0|1,0,0]=3 5856 B15R1.1252 CC(CCO)OCCc1ccccc1Br 7a_100000731337_100009893172 [1,1,0,0,0,0|1,0,0]=3 5857 B15R1.1252 CC(CCO)OCCc1ccccc1Cl 34a_100011215284_100009893172 [1,1,0,0,0,0|1,0,0]=3 5858 B15R1.1252 CC(CCO)OCCc1ccccc1Cl 7a_100011215284_100009893172 [1,1,0,0,0,0|1,0,0]=3 5859 B15R1.1252 CC(CCO)OCCc1ccccc1F 34a_100000753711_100009893172 [1,1,0,0,0,0|1,0,0]=3 5860 B15R1.1252 CC(CCO)OCCc1ccccc1F 7a_100000753711_100009893172 [1,1,0,0,0,0|1,0,0]=3 5861 B15R1.1252 CC(CCO)OCCc1ccccc1I 34a_100010255290_100009893172 [1,1,0,0,0,0|1,0,0]=3 5862 B15R1.1252 CC(CCO)OCCc1ccccc1I 7a_100010255290_100009893172 [1,1,0,0,0,0|1,0,0]=3 5863 B15R1.1252 CC(CCO)OCCc1ccccc1N 34a_100011215289_100009893172 [1,1,0,0,0,0|1,0,0]=3 5864 B15R1.1252 CC(CCO)SCCc1ccccc1Br 62a_100009893172_100012161201 [1,1,0,0,0,0|1,1,0]=4 5865 B15R1.1252 CC(CCO)SCCc1ccccc1Br 62a_100012161201_100009893172 [1,1,0,0,0,0|1,1,0]=4 5866 B15R1.1252 CC(CCO)SCCc1ccccc1Cl 62a_100009893172_100011713703 [1,1,0,0,0,0|1,1,0]=4 5867 B15R1.1252 CC(CCO)SCCc1ccccc1Cl 62a_100011713703_100009893172 [1,1,0,0,0,0|1,1,0]=4 5868 B15R1.1252 CC(CCO)SCCc1ccccc1F 62a_100009893172_100011713696 [1,1,0,0,0,0|1,1,0]=4 5869 B15R1.1252 CC(CCO)SCCc1ccccc1F 62a_100011713696_100009893172 [1,1,0,0,0,0|1,1,0]=4 5870 B15R1.1252 CC(CCO)SCCc1ccccc1O 62a_100000722297_100009893172 [1,1,0,0,0,0|1,1,0]=4 5871 B15R1.1252 CC(CCO)SCCc1ccccc1O 62a_100009893172_100000722297 [1,1,0,0,0,0|1,1,0]=4 5872 B15R1.1252 CCCC(C)CNCc1ccccc1Br 2230a_100000689332_100011216630 [1,1,0,0,0,0|2,0,0]=4 5873 B15R1.1252 CCCC(C)CNCc1ccccc1Br 270004a_100000689332_100000243154 [1,1,0,0,0,0|2,0,0]=4 5874 B15R1.1252 CCCC(C)CNCc1ccccc1Br 34a_100000689332_100011216630 [1,1,0,0,0,0|2,0,0]=4 5875 B15R1.1252 CCCC(C)CNCc1ccccc1C 270004a_100000174972_100000243154 [1,1,0,0,0,0|2,0,0]=4 5876 B15R1.1252 CCCC(C)CNCc1ccccc1C 34a_100000174972_100011216630 [1,1,0,0,0,0|2,0,0]=4 5877 B15R1.1252 CCCC(C)CNCc1ccccc1Cl 2230a_100000174879_100011216630 [1,1,0,0,0,0|2,0,0]=4 5878 B15R1.1252 CCCC(C)CNCc1ccccc1Cl 270004a_100000174879_100000243154 [1,1,0,0,0,0|2,0,0]=4 5879 B15R1.1252 CCCC(C)CNCc1ccccc1Cl 34a_100000174879_100011216630 [1,1,0,0,0,0|2,0,0]=4 5880 B15R1.1252 CCCC(C)CNCc1ccccc1F 270004a_100000174869_100000243154 [1,1,0,0,0,0|2,0,0]=4 5881 B15R1.1252 CCCC(C)CNCc1ccccc1F 34a_100000174869_100011216630 [1,1,0,0,0,0|2,0,0]=4 5882 B15R1.1252 CCCC(C)CNCc1ccccc1I 270004a_100015347259_100000243154 [1,1,0,0,0,0|2,0,0]=4 5883 B15R1.1252 CCCC(C)CNCc1ccccc1O 270004a_100000185550_100000243154 [1,1,0,0,0,0|2,0,0]=4 5884 B15R1.1252 CCCC(C)CNCc1ccccc1O 34a_100000185550_100011216630 [1,1,0,0,0,0|2,0,0]=4 5885 B15R1.1252 CCCC(C)COCc1ccccc1Br 34a_100000688023_100000184730 [1,1,0,0,0,0|2,0,0]=4 5886 B15R1.1252 CCCC(C)COCc1ccccc1Br 34a_100000756307_100011216630 [1,1,0,0,0,0|2,0,0]=4 5887 B15R1.1252 CCCC(C)COCc1ccccc1Br 7a_100000688023_100000184730 [1,1,0,0,0,0|2,0,0]=4 5888 B15R1.1252 CCCC(C)COCc1ccccc1Br 7a_100000756307_100011216630 [1,1,0,0,0,0|2,0,0]=4 5889 B15R1.1252 CCCC(C)COCc1ccccc1C 34a_100000688023_100000211839 [1,1,0,0,0,0|2,0,0]=4 5890 B15R1.1252 CCCC(C)COCc1ccccc1C 34a_100000698903_100011216630 [1,1,0,0,0,0|2,0,0]=4 5891 B15R1.1252 CCCC(C)COCc1ccccc1C 7a_100000688023_100000211839 [1,1,0,0,0,0|2,0,0]=4 5892 B15R1.1252 CCCC(C)COCc1ccccc1C 7a_100000698903_100011216630 [1,1,0,0,0,0|2,0,0]=4 5893 B15R1.1252 CCCC(C)COCc1ccccc1Cl 34a_100000210847_100011216630 [1,1,0,0,0,0|2,0,0]=4 5894 B15R1.1252 CCCC(C)COCc1ccccc1Cl 34a_100000688023_100000187162 [1,1,0,0,0,0|2,0,0]=4 5895 B15R1.1252 CCCC(C)COCc1ccccc1Cl 7a_100000210847_100011216630 [1,1,0,0,0,0|2,0,0]=4 5896 B15R1.1252 CCCC(C)COCc1ccccc1Cl 7a_100000688023_100000187162 [1,1,0,0,0,0|2,0,0]=4 5897 B15R1.1252 CCCC(C)COCc1ccccc1F 34a_100000211962_100011216630 [1,1,0,0,0,0|2,0,0]=4 5898 B15R1.1252 CCCC(C)COCc1ccccc1F 34a_100000688023_100000211605 [1,1,0,0,0,0|2,0,0]=4 5899 B15R1.1252 CCCC(C)COCc1ccccc1F 7a_100000211962_100011216630 [1,1,0,0,0,0|2,0,0]=4 5900 B15R1.1252 CCCC(C)COCc1ccccc1F 7a_100000688023_100000211605 [1,1,0,0,0,0|2,0,0]=4 5901 B15R1.1252 CCCC(C)COCc1ccccc1I 34a_100000187465_100011216630 [1,1,0,0,0,0|2,0,0]=4 5902 B15R1.1252 CCCC(C)COCc1ccccc1I 34a_100000688023_100011215278 [1,1,0,0,0,0|2,0,0]=4 5903 B15R1.1252 CCCC(C)COCc1ccccc1I 7a_100000187465_100011216630 [1,1,0,0,0,0|2,0,0]=4 5904 B15R1.1252 CCCC(C)COCc1ccccc1I 7a_100000688023_100011215278 [1,1,0,0,0,0|2,0,0]=4 5905 B15R1.1252 CCCC(C)COCc1ccccc1N 34a_100000212039_100011216630 [1,1,0,0,0,0|2,0,0]=4 5906 B15R1.1252 CCCC(C)CSCc1ccccc1C 62a_100000211839_100011216630 [1,1,0,0,0,0|2,0,0]=4 5907 B15R1.1252 CCCC(C)CSCc1ccccc1C 62a_100011216630_100000211839 [1,1,0,0,0,0|2,0,0]=4 5908 B15R1.1252 CCCC(C)CSCc1ccccc1F 62a_100000211605_100011216630 [1,1,0,0,0,0|2,0,0]=4 5909 B15R1.1252 CCCC(C)CSCc1ccccc1F 62a_100011216630_100000211605 [1,1,0,0,0,0|2,0,0]=4 5910 B15R1.1252 CCCC(C)CSCc1ccccc1I 62a_100011216222_100011216630 [1,1,0,0,0,0|2,0,0]=4 5911 B15R1.1252 CCCC(C)CSCc1ccccc1I 62a_100011216630_100011216222 [1,1,0,0,0,0|2,0,0]=4 5912 B15R1.1252 CCCC(C)NCCc1ccccc1Br 2230a_100000741246_100012161201 [1,1,0,0,0,0|1,0,0]=3 5913 B15R1.1252 CCCC(C)NCCc1ccccc1Br 2230a_100000747383_100000766640 [1,1,0,0,0,0|1,0,0]=3 5914 B15R1.1252 CCCC(C)NCCc1ccccc1Br 270004a_100000747383_100000211909 [1,1,0,0,0,0|1,0,0]=3 5915 B15R1.1252 CCCC(C)NCCc1ccccc1Br 34a_100000747383_100000766640 [1,1,0,0,0,0|1,0,0]=3 5916 B15R1.1252 CCCC(C)NCCc1ccccc1C 2230a_100000685071_100000766640 [1,1,0,0,0,0|1,0,0]=3 5917 B15R1.1252 CCCC(C)NCCc1ccccc1C 2230a_100000741246_100011713688 [1,1,0,0,0,0|1,0,0]=3 5918 B15R1.1252 CCCC(C)NCCc1ccccc1C 270004a_100000685071_100000211909 [1,1,0,0,0,0|1,0,0]=3 5919 B15R1.1252 CCCC(C)NCCc1ccccc1C 34a_100000685071_100000766640 [1,1,0,0,0,0|1,0,0]=3 5920 B15R1.1252 CCCC(C)NCCc1ccccc1Cl 2230a_100000741246_100011713703 [1,1,0,0,0,0|1,0,0]=3 5921 B15R1.1252 CCCC(C)NCCc1ccccc1Cl 2230a_100011207228_100000766640 [1,1,0,0,0,0|1,0,0]=3 5922 B15R1.1252 CCCC(C)NCCc1ccccc1Cl 270004a_100000741246_200011713468 [1,1,0,0,0,0|1,0,0]=3 5923 B15R1.1252 CCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000211909 [1,1,0,0,0,0|1,0,0]=3 5924 B15R1.1252 CCCC(C)NCCc1ccccc1Cl 34a_100011207228_100000766640 [1,1,0,0,0,0|1,0,0]=3 5925 B15R1.1252 CCCC(C)NCCc1ccccc1F 2230a_100000185272_100000766640 [1,1,0,0,0,0|1,0,0]=3 5926 B15R1.1252 CCCC(C)NCCc1ccccc1F 2230a_100000741246_100011713696 [1,1,0,0,0,0|1,0,0]=3 5927 B15R1.1252 CCCC(C)NCCc1ccccc1F 270004a_100000185272_100000211909 [1,1,0,0,0,0|1,0,0]=3 5928 B15R1.1252 CCCC(C)NCCc1ccccc1F 34a_100000185272_100000766640 [1,1,0,0,0,0|1,0,0]=3 5929 B15R1.1252 CCCC(C)NCCc1ccccc1O 270004a_100011207237_100000211909 [1,1,0,0,0,0|1,0,0]=3 5930 B15R1.1252 CCCC(C)NCCc1ccccc1O 34a_100011207237_100000766640 [1,1,0,0,0,0|1,0,0]=3 5931 B15R1.1252 CCCC(C)NCCn1ccccc1=O 2230a_100000687133_100000766640 [1,1,0,0,0,0|2,0,0]=4 5932 B15R1.1252 CCCC(C)OCCc1ccccc1Br 34a_100000731337_100000766640 [1,1,0,0,0,0|0,0,0]=2 5933 B15R1.1252 CCCC(C)OCCc1ccccc1Br 34a_100000764384_100012161201 [1,1,0,0,0,0|0,0,0]=2 5934 B15R1.1252 CCCC(C)OCCc1ccccc1Br 7a_100000731337_100000766640 [1,1,0,0,0,0|0,0,0]=2 5935 B15R1.1252 CCCC(C)OCCc1ccccc1Br 7a_100000764384_100012161201 [1,1,0,0,0,0|0,0,0]=2 5936 B15R1.1252 CCCC(C)OCCc1ccccc1C 34a_100000764384_100011713688 [1,1,0,0,0,0|0,0,0]=2 5937 B15R1.1252 CCCC(C)OCCc1ccccc1C 34a_100011220023_100000766640 [1,1,0,0,0,0|0,0,0]=2 5938 B15R1.1252 CCCC(C)OCCc1ccccc1C 7a_100000764384_100011713688 [1,1,0,0,0,0|0,0,0]=2 5939 B15R1.1252 CCCC(C)OCCc1ccccc1C 7a_100011220023_100000766640 [1,1,0,0,0,0|0,0,0]=2 5940 B15R1.1252 CCCC(C)OCCc1ccccc1Cl 34a_100000764384_100011713703 [1,1,0,0,0,0|0,0,0]=2 5941 B15R1.1252 CCCC(C)OCCc1ccccc1Cl 34a_100011215284_100000766640 [1,1,0,0,0,0|0,0,0]=2 5942 B15R1.1252 CCCC(C)OCCc1ccccc1Cl 7a_100000764384_100011713703 [1,1,0,0,0,0|0,0,0]=2 5943 B15R1.1252 CCCC(C)OCCc1ccccc1Cl 7a_100011215284_100000766640 [1,1,0,0,0,0|0,0,0]=2 5944 B15R1.1252 CCCC(C)OCCc1ccccc1F 34a_100000753711_100000766640 [1,1,0,0,0,0|0,0,0]=2 5945 B15R1.1252 CCCC(C)OCCc1ccccc1F 34a_100000764384_100000720011 [1,1,0,0,0,0|0,0,0]=2 5946 B15R1.1252 CCCC(C)OCCc1ccccc1F 7a_100000753711_100000766640 [1,1,0,0,0,0|0,0,0]=2 5947 B15R1.1252 CCCC(C)OCCc1ccccc1F 7a_100000764384_100000720011 [1,1,0,0,0,0|0,0,0]=2 5948 B15R1.1252 CCCC(C)OCCc1ccccc1I 34a_100010255290_100000766640 [1,1,0,0,0,0|0,0,0]=2 5949 B15R1.1252 CCCC(C)OCCc1ccccc1I 7a_100010255290_100000766640 [1,1,0,0,0,0|0,0,0]=2 5950 B15R1.1252 CCCC(C)OCCc1ccccc1N 34a_100011215289_100000766640 [1,1,0,0,0,0|0,0,0]=2 5951 B15R1.1252 CCCC(C)OCCc1ccccc1O 34a_100000764384_100000722297 [1,1,0,0,0,0|0,0,0]=2 5952 B15R1.1252 CCCC(C)OCCc1ccccc1O 7a_100000764384_100000722297 [1,1,0,0,0,0|0,0,0]=2 5953 B15R1.1252 CCCC(C)OCCc1ncccc1C 34a_100011997706_100000766640 [1,1,0,0,0,0|1,0,0]=3 5954 B15R1.1252 CCCC(C)OCCc1ncccc1C 7a_100011997706_100000766640 [1,1,0,0,0,0|1,0,0]=3 5955 B15R1.1252 CCCC(C)SCCc1ccccc1Br 62a_100000766640_100012161201 [1,1,0,0,0,0|0,1,0]=3 5956 B15R1.1252 CCCC(C)SCCc1ccccc1Br 62a_100012161201_100000766640 [1,1,0,0,0,0|0,1,0]=3 5957 B15R1.1252 CCCC(C)SCCc1ccccc1C 62a_100000766640_100011713688 [1,1,0,0,0,0|0,1,0]=3 5958 B15R1.1252 CCCC(C)SCCc1ccccc1C 62a_100011713688_100000766640 [1,1,0,0,0,0|0,1,0]=3 5959 B15R1.1252 CCCC(C)SCCc1ccccc1Cl 62a_100000766640_100011713703 [1,1,0,0,0,0|0,1,0]=3 5960 B15R1.1252 CCCC(C)SCCc1ccccc1Cl 62a_100011713703_100000766640 [1,1,0,0,0,0|0,1,0]=3 5961 B15R1.1252 CCCC(C)SCCc1ccccc1F 62a_100000766640_100011713696 [1,1,0,0,0,0|0,1,0]=3 5962 B15R1.1252 CCCC(C)SCCc1ccccc1F 62a_100011713696_100000766640 [1,1,0,0,0,0|0,1,0]=3 5963 B15R1.1252 CCCC(C)SCCc1ccccc1O 62a_100000722297_100000766640 [1,1,0,0,0,0|0,1,0]=3 5964 B15R1.1252 CCCC(C)SCCc1ccccc1O 62a_100000766640_100000722297 [1,1,0,0,0,0|0,1,0]=3 5965 B15R1.1252 CCCN(C)CCCc1ccccc1Br 2230a_100000747261_200011713681 [1,1,0,0,0,0|2,0,0]=4 5966 B15R1.1252 CCCN(C)CCCc1ccccc1Br 269982a_100000747261_200011713681 [1,1,0,0,0,0|2,0,0]=4 5967 B15R1.1252 COCC(C)NCCc1ccccc1Br 2230a_100000747383_100000765312 [1,1,0,0,0,0|2,0,0]=4 5968 B15R1.1252 COCC(C)NCCc1ccccc1Br 270004a_100000747383_100000749346 [1,1,0,0,0,0|2,0,0]=4 5969 B15R1.1252 COCC(C)NCCc1ccccc1Br 34a_100000747383_100000765312 [1,1,0,0,0,0|2,0,0]=4 5970 B15R1.1252 COCC(C)NCCc1ccccc1C 2230a_100000685071_100000765312 [1,1,0,0,0,0|2,0,0]=4 5971 B15R1.1252 COCC(C)NCCc1ccccc1C 270004a_100000685071_100000749346 [1,1,0,0,0,0|2,0,0]=4 5972 B15R1.1252 COCC(C)NCCc1ccccc1C 34a_100000685071_100000765312 [1,1,0,0,0,0|2,0,0]=4 5973 B15R1.1252 COCC(C)NCCc1ccccc1Cl 2230a_100011207228_100000765312 [1,1,0,0,0,0|2,0,0]=4 5974 B15R1.1252 COCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000749346 [1,1,0,0,0,0|2,0,0]=4 5975 B15R1.1252 COCC(C)NCCc1ccccc1Cl 34a_100011207228_100000765312 [1,1,0,0,0,0|2,0,0]=4 5976 B15R1.1252 COCC(C)NCCc1ccccc1F 2230a_100000185272_100000765312 [1,1,0,0,0,0|2,0,0]=4 5977 B15R1.1252 COCC(C)NCCc1ccccc1F 270004a_100000185272_100000749346 [1,1,0,0,0,0|2,0,0]=4 5978 B15R1.1252 COCC(C)NCCc1ccccc1F 34a_100000185272_100000765312 [1,1,0,0,0,0|2,0,0]=4 5979 B15R1.1252 COCC(C)NCCc1ccccc1O 270004a_100011207237_100000749346 [1,1,0,0,0,0|2,0,0]=4 5980 B15R1.1252 COCC(C)NCCc1ccccc1O 34a_100011207237_100000765312 [1,1,0,0,0,0|2,0,0]=4 5981 B15R1.1252 COCC(C)OCCc1ccccc1Br 34a_100000731337_100000765312 [1,1,0,0,0,0|1,0,0]=3 5982 B15R1.1252 COCC(C)OCCc1ccccc1Br 7a_100000731337_100000765312 [1,1,0,0,0,0|1,0,0]=3 5983 B15R1.1252 COCC(C)OCCc1ccccc1C 34a_100011220023_100000765312 [1,1,0,0,0,0|1,0,0]=3 5984 B15R1.1252 COCC(C)OCCc1ccccc1C 7a_100011220023_100000765312 [1,1,0,0,0,0|1,0,0]=3 5985 B15R1.1252 COCC(C)OCCc1ccccc1Cl 34a_100011215284_100000765312 [1,1,0,0,0,0|1,0,0]=3 5986 B15R1.1252 COCC(C)OCCc1ccccc1Cl 7a_100011215284_100000765312 [1,1,0,0,0,0|1,0,0]=3 5987 B15R1.1252 COCC(C)OCCc1ccccc1F 34a_100000753711_100000765312 [1,1,0,0,0,0|1,0,0]=3 5988 B15R1.1252 COCC(C)OCCc1ccccc1F 7a_100000753711_100000765312 [1,1,0,0,0,0|1,0,0]=3 5989 B15R1.1252 COCC(C)OCCc1ccccc1I 34a_100010255290_100000765312 [1,1,0,0,0,0|1,0,0]=3 5990 B15R1.1252 COCC(C)OCCc1ccccc1I 7a_100010255290_100000765312 [1,1,0,0,0,0|1,0,0]=3 5991 B15R1.1252 COCC(C)OCCc1ccccc1N 34a_100011215289_100000765312 [1,1,0,0,0,0|1,0,0]=3 5992 B15R1.1252 COCC(C)OCCc1ncccc1C 34a_100011997706_100000765312 [1,1,0,0,0,0|2,0,0]=4 5993 B15R1.1252 COCC(C)OCCc1ncccc1C 7a_100011997706_100000765312 [1,1,0,0,0,0|2,0,0]=4 5994 B15R1.1252 COCC(C)SCCc1ccccc1Br 62a_100000765312_100012161201 [1,1,0,0,0,0|1,1,0]=4 5995 B15R1.1252 COCC(C)SCCc1ccccc1Br 62a_100012161201_100000765312 [1,1,0,0,0,0|1,1,0]=4 5996 B15R1.1252 COCC(C)SCCc1ccccc1C 62a_100000765312_100011713688 [1,1,0,0,0,0|1,1,0]=4 5997 B15R1.1252 COCC(C)SCCc1ccccc1C 62a_100011713688_100000765312 [1,1,0,0,0,0|1,1,0]=4 5998 B15R1.1252 COCC(C)SCCc1ccccc1Cl 62a_100000765312_100011713703 [1,1,0,0,0,0|1,1,0]=4 5999 B15R1.1252 COCC(C)SCCc1ccccc1Cl 62a_100011713703_100000765312 [1,1,0,0,0,0|1,1,0]=4 6000 B15R1.1252 COCC(C)SCCc1ccccc1F 62a_100000765312_100011713696 [1,1,0,0,0,0|1,1,0]=4 6001 B15R1.1252 COCC(C)SCCc1ccccc1F 62a_100011713696_100000765312 [1,1,0,0,0,0|1,1,0]=4 6002 B15R1.1252 COCC(C)SCCc1ccccc1O 62a_100000722297_100000765312 [1,1,0,0,0,0|1,1,0]=4 6003 B15R1.1252 COCC(C)SCCc1ccccc1O 62a_100000765312_100000722297 [1,1,0,0,0,0|1,1,0]=4 6004 B15R1.1252 COC[C@@H](C)NCCc1ccccc1Br 2230a_100000764878_100012161201 [1,1,0,0,0,0|2,0,0]=4 6005 B15R1.1252 COC[C@@H](C)NCCc1ccccc1C 2230a_100000764878_100011713688 [1,1,0,0,0,0|2,0,0]=4 6006 B15R1.1252 COC[C@@H](C)NCCc1ccccc1Cl 2230a_100000764878_100011713703 [1,1,0,0,0,0|2,0,0]=4 6007 B15R1.1252 COC[C@@H](C)NCCc1ccccc1Cl 270004a_100000764878_200011713468 [1,1,0,0,0,0|2,0,0]=4 6008 B15R1.1252 COC[C@@H](C)NCCc1ccccc1F 2230a_100000764878_100011713696 [1,1,0,0,0,0|2,0,0]=4 6009 B15R1.1252 COC[C@@H](C)OCCc1ccccc1Br 34a_100011934205_100012161201 [1,1,0,0,0,0|1,0,0]=3 6010 B15R1.1252 COC[C@@H](C)OCCc1ccccc1C 34a_100011934205_100011713688 [1,1,0,0,0,0|1,0,0]=3 6011 B15R1.1252 COC[C@@H](C)OCCc1ccccc1Cl 34a_100011934205_100011713703 [1,1,0,0,0,0|1,0,0]=3 6012 B15R1.1252 COC[C@@H](C)OCCc1ccccc1F 34a_100011934205_100000720011 [1,1,0,0,0,0|1,0,0]=3 6013 B15R1.1252 COC[C@@H](C)OCCc1ccccc1O 34a_100011934205_100000722297 [1,1,0,0,0,0|1,0,0]=3 6014 B15R1.1252 CSCC(C)NCCc1ccccc1Br 270004a_100000747383_100011216314 [1,1,0,0,0,0|2,0,0]=4 6015 B15R1.1252 CSCC(C)NCCc1ccccc1C 270004a_100000685071_100011216314 [1,1,0,0,0,0|2,0,0]=4 6016 B15R1.1252 CSCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011216314 [1,1,0,0,0,0|2,0,0]=4 6017 B15R1.1252 CSCC(C)NCCc1ccccc1F 270004a_100000185272_100011216314 [1,1,0,0,0,0|2,0,0]=4 6018 B15R1.1252 CSCC(C)NCCc1ccccc1O 270004a_100011207237_100011216314 [1,1,0,0,0,0|2,0,0]=4 6019 B15R1.1252 C[C@H](CCO)NCCc1ccccc1Br 2230a_100000706166_100012161201 [1,1,0,0,0,0|2,0,0]=4 6020 B15R1.1252 C[C@H](CCO)NCCc1ccccc1Br 34a_100000706166_100012161201 [1,1,0,0,0,0|2,0,0]=4 6021 B15R1.1252 C[C@H](CCO)NCCc1ccccc1Cl 2230a_100000706166_100011713703 [1,1,0,0,0,0|2,0,0]=4 6022 B15R1.1252 C[C@H](CCO)NCCc1ccccc1Cl 270004a_100000706166_200011713468 [1,1,0,0,0,0|2,0,0]=4 6023 B15R1.1252 C[C@H](CCO)NCCc1ccccc1Cl 34a_100000706166_100011713703 [1,1,0,0,0,0|2,0,0]=4 6024 B15R1.1252 C[C@H](CCO)NCCc1ccccc1F 2230a_100000706166_100011713696 [1,1,0,0,0,0|2,0,0]=4 6025 B15R1.1252 C[C@H](CCO)NCCc1ccccc1F 34a_100000706166_100000720011 [1,1,0,0,0,0|2,0,0]=4 6026 B15R1.1252 C[C@H](CCO)NCCc1ccccc1O 34a_100000706166_100000722297 [1,1,0,0,0,0|2,0,0]=4 6027 B15R1.1252 Cc1ccccc1CCNC(C)CCO 2230a_100000685071_100009893172 [1,1,0,0,0,0|2,0,0]=4 6028 B15R1.1252 Cc1ccccc1CCNC(C)CCO 34a_100000685071_100009893172 [1,1,0,0,0,0|2,0,0]=4 6029 B15R1.1252 Cc1ccccc1CCN[C@H](C)CCO 2230a_100000706166_100011713688 [1,1,0,0,0,0|2,0,0]=4 6030 B15R1.1252 Cc1ccccc1CCN[C@H](C)CCO 34a_100000706166_100011713688 [1,1,0,0,0,0|2,0,0]=4 6031 B15R1.1252 Cc1ccccc1CCOC(C)CC#N 7a_100011220023_100009813641 [1,1,0,0,0,0|1,0,1]=4 6032 B15R1.1252 Cc1ccccc1CCOC(C)CCBr 34a_100012276601_100011713688 [1,1,0,0,0,0|1,0,0]=3 6033 B15R1.1252 Cc1ccccc1CCOC(C)CCO 34a_100011220023_100009893172 [1,1,0,0,0,0|1,0,0]=3 6034 B15R1.1252 Cc1ccccc1CCOC(C)CCO 7a_100011220023_100009893172 [1,1,0,0,0,0|1,0,0]=3 6035 B15R1.1252 Cc1ccccc1CCSC(C)CCO 62a_100009893172_100011713688 [1,1,0,0,0,0|1,1,0]=4 6036 B15R1.1252 Cc1ccccc1CCSC(C)CCO 62a_100011713688_100009893172 [1,1,0,0,0,0|1,1,0]=4 6037 B15R1.1252 Cc1cccnc1CCOC(C)CCO 34a_100011997706_100009893172 [1,1,0,0,0,0|2,0,0]=4 6038 B15R1.1252 Cc1cccnc1CCOC(C)CCO 7a_100011997706_100009893172 [1,1,0,0,0,0|2,0,0]=4 6039 B15R1.1306 C#CC(CCC)OCCc1ccccc1 34a_200011217317_100000765856 [1,1,0,0,0,0|0,0,1]=3 6040 B15R1.1306 C#CC(CCC)OCCc1ccccc1 7a_200011217317_100000765856 [1,1,0,0,0,0|0,0,1]=3 6041 B15R1.1306 C#CC(CCC)OCCc1ccccn1 7a_200011217317_100015183660 [1,1,0,0,0,0|1,0,1]=4 6042 B15R1.1306 C#CC(CCC)OCCc1cccnc1 7a_200011217317_200011713674 [1,1,0,0,0,0|1,0,1]=4 6043 B15R1.1306 C#CC(CCC)OCCc1ccncc1 7a_200011217317_100000723409 [1,1,0,0,0,0|1,0,1]=4 6044 B15R1.1306 C#CCC(CC)OCCc1ccccc1 34a_200011217983_100000765856 [1,1,0,0,0,0|0,0,2]=4 6045 B15R1.1306 C#CCC(CC)OCCc1ccccc1 7a_200011217983_100000765856 [1,1,0,0,0,0|0,0,2]=4 6046 B15R1.1306 C=CC(CCC)OCCc1ccccc1 34a_100011216692_100000765856 [1,1,0,0,0,0|0,0,1]=3 6047 B15R1.1306 C=CC(CCC)OCCc1ccccc1 7a_100011216692_100000765856 [1,1,0,0,0,0|0,0,1]=3 6048 B15R1.1306 C=CC(CCC)OCCc1ccccn1 7a_100011216692_100015183660 [1,1,0,0,0,0|1,0,1]=4 6049 B15R1.1306 C=CC(CCC)OCCc1cccnc1 7a_100011216692_200011713674 [1,1,0,0,0,0|1,0,1]=4 6050 B15R1.1306 C=CC(CCC)OCCc1ccncc1 7a_100011216692_100000723409 [1,1,0,0,0,0|1,0,1]=4 6051 B15R1.1306 CC#CC(CC)OCCc1ccccc1 34a_200011219922_100000765856 [1,1,0,0,0,0|0,0,2]=4 6052 B15R1.1306 CC#CC(CC)OCCc1ccccc1 7a_200011219922_100000765856 [1,1,0,0,0,0|0,0,2]=4 6053 B15R1.1306 CCC(COC)NCCc1ccccc1 2230a_100000757820_100000765856 [1,1,0,0,0,0|2,0,0]=4 6054 B15R1.1306 CCC(COC)NCCc1ccccc1 270004a_100000106460_100000757811 [1,1,0,0,0,0|2,0,0]=4 6055 B15R1.1306 CCC(COC)OCCc1ccccc1 7a_200011214946_100000765856 [1,1,0,0,0,0|1,0,0]=3 6056 B15R1.1306 CCC(COC)OCCc1ccccn1 7a_200011214946_100015183660 [1,1,0,0,0,0|2,0,0]=4 6057 B15R1.1306 CCC(COC)OCCc1cccnc1 7a_200011214946_200011713674 [1,1,0,0,0,0|2,0,0]=4 6058 B15R1.1306 CCC(COC)OCCc1ccncc1 7a_200011214946_100000723409 [1,1,0,0,0,0|2,0,0]=4 6059 B15R1.1306 CCCC(C#N)OCCc1ccccc1 34a_100000686963_100000765856 [1,1,0,0,0,0|0,0,1]=3 6060 B15R1.1306 CCCC(C#N)OCCc1ccccc1 7a_100000686963_100000765856 [1,1,0,0,0,0|0,0,1]=3 6061 B15R1.1306 CCCC(C#N)OCCc1ccccn1 7a_100000686963_100015183660 [1,1,0,0,0,0|1,0,1]=4 6062 B15R1.1306 CCCC(C#N)OCCc1cccnc1 7a_100000686963_200011713674 [1,1,0,0,0,0|1,0,1]=4 6063 B15R1.1306 CCCC(C#N)OCCc1ccncc1 7a_100000686963_100000723409 [1,1,0,0,0,0|1,0,1]=4 6064 B15R1.1306 CCCC(CC)NCCc1ccccc1 2230a_100000747048_100000765856 [1,1,0,0,0,0|1,0,0]=3 6065 B15R1.1306 CCCC(CC)NCCc1ccccc1 270004a_100000106460_100000687865 [1,1,0,0,0,0|1,0,0]=3 6066 B15R1.1306 CCCC(CC)NCCc1ccccn1 2230a_100000747048_100015183660 [1,1,0,0,0,0|2,0,0]=4 6067 B15R1.1306 CCCC(CC)NCCc1ccccn1 270004a_100000211156_100000687865 [1,1,0,0,0,0|2,0,0]=4 6068 B15R1.1306 CCCC(CC)NCCc1cccnc1 2230a_100000747048_200011713674 [1,1,0,0,0,0|2,0,0]=4 6069 B15R1.1306 CCCC(CC)NCCc1cccnc1 270004a_100000736294_100000687865 [1,1,0,0,0,0|2,0,0]=4 6070 B15R1.1306 CCCC(CC)NCCc1ccncc1 2230a_100000747048_100000723409 [1,1,0,0,0,0|2,0,0]=4 6071 B15R1.1306 CCCC(CC)NCCc1ccncc1 270004a_100000742849_100000687865 [1,1,0,0,0,0|2,0,0]=4 6072 B15R1.1306 CCCC(CC)NCSc1ccccc1 2230a_100000747048_100011218342 [1,1,0,0,0,0|2,0,0]=4 6073 B15R1.1306 CCCC(CC)OCCc1ccccc1 34a_100000687864_100000765856 [1,1,0,0,0,0|0,0,0]=2 6074 B15R1.1306 CCCC(CC)OCCc1ccccc1 7a_100000210268_100011219200 [1,1,0,0,0,0|0,0,0]=2 6075 B15R1.1306 CCCC(CC)OCCc1ccccc1 7a_100000687864_100000765856 [1,1,0,0,0,0|0,0,0]=2 6076 B15R1.1306 CCCC(CC)OCCc1ccccn1 7a_100000687864_100015183660 [1,1,0,0,0,0|1,0,0]=3 6077 B15R1.1306 CCCC(CC)OCCc1cccnc1 7a_100000687864_200011713674 [1,1,0,0,0,0|1,0,0]=3 6078 B15R1.1306 CCCC(CC)OCCc1ccncc1 7a_100000687864_100000723409 [1,1,0,0,0,0|1,0,0]=3 6079 B15R1.1306 CCCC(CC)SCCc1ccccc1 62a_100000765856_100011219200 [1,1,0,0,0,0|0,1,0]=3 6080 B15R1.1306 CCCC(CC)SCCc1ccccc1 62a_100011219200_100011218657 [1,1,0,0,0,0|0,1,0]=3 6081 B15R1.1306 CCCC(CC)SCCc1ccccn1 62a_100011219200_100015183660 [1,1,0,0,0,0|1,1,0]=4 6082 B15R1.1306 CCCC(CC)SCCc1ccccn1 62a_100015183660_100011219200 [1,1,0,0,0,0|1,1,0]=4 6083 B15R1.1306 CCCC(CC)SCCc1cccnc1 62a_100011219200_200011713674 [1,1,0,0,0,0|1,1,0]=4 6084 B15R1.1306 CCCC(CC)SCCc1cccnc1 62a_200011713674_100011219200 [1,1,0,0,0,0|1,1,0]=4 6085 B15R1.1306 CCCC(CC)SCCc1ccncc1 62a_100000723409_100011219200 [1,1,0,0,0,0|1,1,0]=4 6086 B15R1.1306 CCCC(CC)SCCc1ccncc1 62a_100011219200_100000723409 [1,1,0,0,0,0|1,1,0]=4 6087 B15R1.1306 CCCN(CC)CCCc1ccccc1 2230a_100000226822_100000211621 [1,1,0,0,0,0|2,0,0]=4 6088 B15R1.1306 CCCN(CC)CCCc1ccccc1 269982a_100000226822_100000211621 [1,1,0,0,0,0|2,0,0]=4 6089 B15R1.1306 CCC[C@@H](CO)NCCc1ccccc1 2230a_100000732646_100000765856 [1,1,0,0,0,0|1,0,0]=3 6090 B15R1.1306 CCC[C@@H](CO)NCCc1ccccc1 34a_100000732646_100000765856 [1,1,0,0,0,0|1,0,0]=3 6091 B15R1.1306 CCC[C@@H](CO)NCCc1ccccn1 2230a_100000732646_100015183660 [1,1,0,0,0,0|2,0,0]=4 6092 B15R1.1306 CCC[C@@H](CO)NCCc1cccnc1 2230a_100000732646_200011713674 [1,1,0,0,0,0|2,0,0]=4 6093 B15R1.1306 CCC[C@@H](CO)NCCc1ccncc1 2230a_100000732646_100000723409 [1,1,0,0,0,0|2,0,0]=4 6094 B15R1.1306 CCC[C@@H](CO)NCSc1ccccc1 2230a_100000732646_100011218342 [1,1,0,0,0,0|2,0,0]=4 6095 B15R1.1306 CCOC(CC)CNCc1ccccc1 207a_100015183923_100015611070 [1,1,0,0,0,0|2,0,0]=4 6096 B15R1.1306 CCOC(CC)CNCc1ccccc1 2230a_100015183923_100015291786 [1,1,0,0,0,0|2,0,0]=4 6097 B15R1.1306 CCOC(CC)CNCc1ccccc1 270004a_100015183923_100015611070 [1,1,0,0,0,0|2,0,0]=4 6098 B15R1.1306 CCOC(CC)CNCc1ccccc1 34a_100015183923_100015291786 [1,1,0,0,0,0|2,0,0]=4 6099 B15R1.1306 COCC(CCl)OCCc1ccccc1 34a_100011215053_100000765856 [1,1,0,0,0,0|1,0,0]=3 6100 B15R1.1306 COCC(CN)OCCc1ccccc1 34a_100000756049_100000765856 [1,1,0,0,0,0|1,0,0]=3 6101 B15R1.1306 COCC(CO)NCCc1ccccc1 2230a_100000724102_100000765856 [1,1,0,0,0,0|2,0,0]=4 6102 B15R1.1306 COCC(CO)NCCc1ccccc1 34a_100000724102_100000765856 [1,1,0,0,0,0|2,0,0]=4 6103 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccccc1 34a_100015455354_100000765856 [1,1,0,0,0,0|0,0,2]=4 6104 B15R1.1321 C=C[C@@H](C)[C@@H](C)OCCc1ccccc1 7a_100015455354_100000765856 [1,1,0,0,0,0|0,0,2]=4 6105 B15R1.1321 CCC(=O)C(C)CCCc1ccccc1 1458a_100000210414_200010759516 [1,1,0,0,0,0|1,0,1]=4 6106 B15R1.1321 CCC(=O)C(C)NCCc1ccccc1 2230a_100000106460_100000742827 [1,1,0,0,0,0|1,0,1]=4 6107 B15R1.1321 CCC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000742827 [1,1,0,0,0,0|0,0,1]=3 6108 B15R1.1321 CCC(=O)C(C)SCCc1ccccc1 62a_100000742827_100011218657 [1,1,0,0,0,0|0,1,1]=4 6109 B15R1.1321 CCC(=O)C(C)SCCc1ccccc1 62a_100000765856_100000742827 [1,1,0,0,0,0|0,1,1]=4 6110 B15R1.1321 CCC(C)C(C)NCCc1ccccc1 269862a_100000106460_100000210599 [1,1,0,0,0,0|1,0,0]=3 6111 B15R1.1321 CCC(C)C(C)NCCc1ccccc1 270004a_100000106460_100000210599 [1,1,0,0,0,0|1,0,0]=3 6112 B15R1.1321 CCC(C)C(C)NCCc1ccccn1 269862a_100000211156_100000210599 [1,1,0,0,0,0|2,0,0]=4 6113 B15R1.1321 CCC(C)C(C)NCCc1ccccn1 270004a_100000211156_100000210599 [1,1,0,0,0,0|2,0,0]=4 6114 B15R1.1321 CCC(C)C(C)NCCc1cccnc1 269862a_100000736294_100000210599 [1,1,0,0,0,0|2,0,0]=4 6115 B15R1.1321 CCC(C)C(C)NCCc1cccnc1 270004a_100000736294_100000210599 [1,1,0,0,0,0|2,0,0]=4 6116 B15R1.1321 CCC(C)C(C)NCCc1ccncc1 269862a_100000742849_100000210599 [1,1,0,0,0,0|2,0,0]=4 6117 B15R1.1321 CCC(C)C(C)NCCc1ccncc1 270004a_100000742849_100000210599 [1,1,0,0,0,0|2,0,0]=4 6118 B15R1.1321 CCC(C)C(C)OCCc1ccccc1 7a_100011215189_100000765856 [1,1,0,0,0,0|0,0,0]=2 6119 B15R1.1321 CCC(C)C(C)OCCc1ccccn1 7a_100011215189_100015183660 [1,1,0,0,0,0|1,0,0]=3 6120 B15R1.1321 CCC(C)C(C)OCCc1cccnc1 7a_100011215189_200011713674 [1,1,0,0,0,0|1,0,0]=3 6121 B15R1.1321 CCC(C)C(C)OCCc1ccncc1 7a_100011215189_100000723409 [1,1,0,0,0,0|1,0,0]=3 6122 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 2230a_100000693637_100000758301 [1,1,0,0,0,0|2,0,0]=4 6123 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 2230a_100000741768_100000211621 [1,1,0,0,0,0|2,0,0]=4 6124 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 269982a_100000693637_100000758301 [1,1,0,0,0,0|2,0,0]=4 6125 B15R1.1321 CCC(C)N(C)CCCc1ccccc1 269982a_100000741768_100000211621 [1,1,0,0,0,0|2,0,0]=4 6126 B15R1.1321 CCN(C)C(C)CCCc1ccccc1 2230a_100000225621_200010759516 [1,1,0,0,0,0|2,0,0]=4 6127 B15R1.1321 CCN(C)C(C)CCCc1ccccc1 269982a_100000225621_200010759516 [1,1,0,0,0,0|2,0,0]=4 6128 B15R1.1321 CNC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000731044 [1,1,0,0,0,0|1,0,1]=4 6129 B15R1.1321 CNC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000209862 [1,1,0,0,0,0|1,0,1]=4 6130 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000211248 [1,1,0,0,0,0|1,0,1]=4 6131 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 34a_100011215400_100000765856 [1,1,0,0,0,0|1,0,1]=4 6132 B15R1.1321 COC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000211248 [1,1,0,0,0,0|1,0,1]=4 6133 B15R1.9084 CC(=CC(C)OCCc1ccccc1)C 34a_100000717055_100000765856 [1,1,0,0,0,0|0,0,2]=4 6134 B15R1.9084 CC(=O)OC(C)SCCc1ccccc1 62a_100000765856_100009818208 [1,1,0,0,0,0|0,1,1]=4 6135 B15R1.9084 CC(=O)OC(C)SCCc1ccccc1 62a_100009818208_100011218657 [1,1,0,0,0,0|0,1,1]=4 6136 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 2230a_100000106460_100000731052 [1,1,0,0,0,0|1,0,0]=3 6137 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 2230a_100000692259_100000765856 [1,1,0,0,0,0|1,0,0]=3 6138 B15R1.9084 CC(C)CC(C)NCCc1ccccc1 34a_100000106460_100000731052 [1,1,0,0,0,0|1,0,0]=3 6139 B15R1.9084 CC(C)CC(C)NCCc1ccccn1 2230a_100000692259_100015183660 [1,1,0,0,0,0|2,0,0]=4 6140 B15R1.9084 CC(C)CC(C)NCCc1cccnc1 2230a_100000692259_200011713674 [1,1,0,0,0,0|2,0,0]=4 6141 B15R1.9084 CC(C)CC(C)NCCc1cccnc1 2230a_100000736294_100000731052 [1,1,0,0,0,0|2,0,0]=4 6142 B15R1.9084 CC(C)CC(C)NCCc1ccncc1 2230a_100000692259_100000723409 [1,1,0,0,0,0|2,0,0]=4 6143 B15R1.9084 CC(C)CC(C)NCSc1ccccc1 2230a_100000692259_100011218342 [1,1,0,0,0,0|2,0,0]=4 6144 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 34a_100000210268_100000731052 [1,1,0,0,0,0|0,0,0]=2 6145 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 34a_100000211805_100000765856 [1,1,0,0,0,0|0,0,0]=2 6146 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 7a_100000210268_100000731052 [1,1,0,0,0,0|0,0,0]=2 6147 B15R1.9084 CC(C)CC(C)OCCc1ccccc1 7a_100000211805_100000765856 [1,1,0,0,0,0|0,0,0]=2 6148 B15R1.9084 CC(C)CC(C)OCCc1ccccn1 34a_100000210271_100000731052 [1,1,0,0,0,0|1,0,0]=3 6149 B15R1.9084 CC(C)CC(C)OCCc1ccccn1 7a_100000211805_100015183660 [1,1,0,0,0,0|1,0,0]=3 6150 B15R1.9084 CC(C)CC(C)OCCc1cccnc1 34a_100011217484_100000731052 [1,1,0,0,0,0|1,0,0]=3 6151 B15R1.9084 CC(C)CC(C)OCCc1cccnc1 7a_100000211805_200011713674 [1,1,0,0,0,0|1,0,0]=3 6152 B15R1.9084 CC(C)CC(C)OCCc1ccncc1 34a_100011216225_100000731052 [1,1,0,0,0,0|1,0,0]=3 6153 B15R1.9084 CC(C)CC(C)OCCc1ccncc1 7a_100000211805_100000723409 [1,1,0,0,0,0|1,0,0]=3 6154 B15R1.9084 CC(C)CC(C)OCCc1cnccn1 34a_100011349526_100000731052 [1,1,0,0,0,0|2,0,0]=4 6155 B15R1.9084 CC(C)CC(C)OCCc1cncnc1 34a_100011709255_100000731052 [1,1,0,0,0,0|2,0,0]=4 6156 B15R1.9084 CC(C)CC(C)SCCc1ccccc1 62a_100000731052_100011218657 [1,1,0,0,0,0|0,1,0]=3 6157 B15R1.9084 CC(C)CC(C)SCCc1ccccc1 62a_100000765856_100000731052 [1,1,0,0,0,0|0,1,0]=3 6158 B15R1.9084 CC(C)CC(C)SCCc1ccccn1 62a_100000731052_100015183660 [1,1,0,0,0,0|1,1,0]=4 6159 B15R1.9084 CC(C)CC(C)SCCc1ccccn1 62a_100015183660_100000731052 [1,1,0,0,0,0|1,1,0]=4 6160 B15R1.9084 CC(C)CC(C)SCCc1cccnc1 62a_100000731052_200011713674 [1,1,0,0,0,0|1,1,0]=4 6161 B15R1.9084 CC(C)CC(C)SCCc1cccnc1 62a_200011713674_100000731052 [1,1,0,0,0,0|1,1,0]=4 6162 B15R1.9084 CC(C)CC(C)SCCc1ccncc1 62a_100000723409_100000731052 [1,1,0,0,0,0|1,1,0]=4 6163 B15R1.9084 CC(C)CC(C)SCCc1ccncc1 62a_100000731052_100000723409 [1,1,0,0,0,0|1,1,0]=4 6164 B15R1.9084 CC(C)CC(C)SCSc1ccccc1 62a_100000731052_100011218342 [1,1,0,0,0,0|1,1,0]=4 6165 B15R1.9084 CC(C)CC(C)SCSc1ccccc1 62a_100011218342_100000731052 [1,1,0,0,0,0|1,1,0]=4 6166 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 2230a_100000693637_100000210760 [1,1,0,0,0,0|2,0,0]=4 6167 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 2230a_100000747067_100000211621 [1,1,0,0,0,0|2,0,0]=4 6168 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 269982a_100000693637_100000210624 [1,1,0,0,0,0|2,0,0]=4 6169 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 269982a_100000747067_100000211621 [1,1,0,0,0,0|2,0,0]=4 6170 B15R1.9084 CC(C)CN(C)CCCc1ccccc1 270004a_100000693637_100000210432 [1,1,0,0,0,0|2,0,0]=4 6171 B15R1.9084 CC(C)NC(C)CCCc1ccccc1 2230a_100138425928_200010759516 [1,1,0,0,0,0|2,0,0]=4 6172 B15R1.9084 CC(C)NC(C)CCCc1ccccc1 34a_100138425928_200010759516 [1,1,0,0,0,0|2,0,0]=4 6173 B15R1.9084 CC(C)OC(C)CCCc1ccccc1 34a_100000212225_200010759516 [1,1,0,0,0,0|1,0,0]=3 6174 B15R1.9084 CC(C)OC(C)COCc1ccccc1 34a_100000764311_100000210206 [1,1,0,0,0,0|2,0,0]=4 6175 B15R1.9084 CC(C)OC(C)COCc1ccccc1 7a_100000764311_100000210206 [1,1,0,0,0,0|2,0,0]=4 6176 B15R1.9084 CC(C)SC(C)CCCc1ccccc1 62a_100000210206_200010759516 [1,1,0,0,0,0|1,1,0]=4 6177 B15R1.9084 CC(C)SC(C)CCCc1ccccc1 62a_200010759516_100000210206 [1,1,0,0,0,0|1,1,0]=4 6178 B15R1.9084 CC(CN(C)C)SCCc1ccccc1 62a_100000765856_100020606517 [1,1,0,0,0,0|1,1,0]=4 6179 B15R1.9084 CC(CN(C)C)SCCc1ccccc1 62a_100020606517_100011218657 [1,1,0,0,0,0|1,1,0]=4 6180 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000227577_100000211621 [1,1,0,0,0,0|2,0,0]=4 6181 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 2230a_100000693637_100011218427 [1,1,0,0,0,0|2,0,0]=4 6182 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000227577_100000211621 [1,1,0,0,0,0|2,0,0]=4 6183 B15R1.9084 CC(O)CN(C)CCCc1ccccc1 269982a_100000693637_100011218427 [1,1,0,0,0,0|2,0,0]=4 6184 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 2230a_100000693637_100009817552 [1,1,0,0,0,0|2,0,0]=4 6185 B15R1.9084 C[C@@H](O)CN(C)CCCc1ccccc1 269982a_100000693637_100009817552 [1,1,0,0,0,0|2,0,0]=4 6186 B15R1.9539 C=CCC(C)(C)OCCc1ccccc1 7a_100011995686_100000765856 [1,1,0,0,0,0|0,0,2]=4 6187 B15R1.9539 CC(C)(CCBr)OCCc1ccccc1 7a_100000702414_100000765856 [1,1,0,0,0,0|1,0,0]=3 6188 B15R1.9539 CC(C)(CCBr)OCCc1ccccn1 7a_100000702414_100015183660 [1,1,0,0,0,0|2,0,0]=4 6189 B15R1.9539 CC(C)(CCBr)OCCc1cccnc1 7a_100000702414_200011713674 [1,1,0,0,0,0|2,0,0]=4 6190 B15R1.9539 CC(C)(CCBr)OCCc1ccncc1 7a_100000702414_100000723409 [1,1,0,0,0,0|2,0,0]=4 6191 B15R1.9539 CCCC(C)(C)COCc1ccccc1 7a_100011995695_100000211182 [1,1,0,0,0,0|2,0,0]=4 6192 B15R1.9539 CCCC(C)(C)OCCc1ccccc1 7a_100000748436_100000765856 [1,1,0,0,0,0|0,0,0]=2 6193 B15R1.9539 CCCC(C)(C)OCCc1ccccn1 7a_100000748436_100015183660 [1,1,0,0,0,0|1,0,0]=3 6194 B15R1.9539 CCCC(C)(C)OCCc1cccnc1 7a_100000748436_200011713674 [1,1,0,0,0,0|1,0,0]=3 6195 B15R1.9539 CCCC(C)(C)OCCc1ccncc1 7a_100000748436_100000723409 [1,1,0,0,0,0|1,0,0]=3 6196 B15R1.9539 COCC(C)(C)NCCc1ccccc1 2230a_100000752728_100000765856 [1,1,0,0,0,0|2,0,0]=4 6197 B15R1.9539 CSCC(C)(C)NCCc1ccccc1 2230a_100000759623_100000765856 [1,1,0,0,0,0|2,0,0]=4 6198 B15R1.9539 CSCC(C)(C)NCCc1ccccc1 7a_100000759623_100000765856 [1,1,0,0,0,0|2,0,0]=4 6199 B15R1.115 CC(CCCCl)OC(C)c1ccccc1 34a_200000718107_100000211855 [0,1,0,0,1,0|2,0,0]=4 6200 B15R1.115 CC(CCCCl)OC(C)c1ccccc1 7a_200000718107_100000230085 [0,1,0,0,1,0|2,0,0]=4 6201 B15R1.115 CCC#CC(C)OC(C)c1ccccc1 34a_100000033903_100000211855 [0,1,0,0,1,0|1,0,1]=4 6202 B15R1.115 CCC#CC(C)OC(C)c1ccccc1 7a_100000033903_100000230085 [0,1,0,0,1,0|1,0,1]=4 6203 B15R1.115 CCCCC(C)NC(C)c1ccccc1 2230a_100000126638_100000230085 [0,1,0,0,1,0|2,0,0]=4 6204 B15R1.115 CCCCC(C)NC(C)c1ccccc1 269862a_100000126638_100000185851 [0,1,0,0,1,0|2,0,0]=4 6205 B15R1.115 CCCCC(C)N[C@H](C)c1ccccc1 2230a_100000751104_200011215066 [0,1,0,0,1,0|2,0,0]=4 6206 B15R1.115 CCCCC(C)N[C@H](C)c1ccccc1 270004a_100000751104_100000210087 [0,1,0,0,1,0|2,0,0]=4 6207 B15R1.115 CCCCC(C)OC(C)c1ccccc1 34a_100000687866_100000211855 [0,1,0,0,1,0|1,0,0]=3 6208 B15R1.115 CCCCC(C)OC(C)c1ccccc1 7a_100000687866_100000230085 [0,1,0,0,1,0|1,0,0]=3 6209 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_200011215066 [0,1,0,0,1,0|1,0,0]=3 6210 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_200011215066 [0,1,0,0,1,0|1,0,0]=3 6211 B15R1.115 CCCCN(C)CC(C)c1ccccc1 2230a_100000207549_100000756946 [0,1,0,0,1,0|2,0,0]=4 6212 B15R1.115 CCCCN(C)CC(C)c1ccccc1 269982a_100000207549_100000756946 [0,1,0,0,1,0|2,0,0]=4 6213 B15R1.115 CCCCN(C)CC(C)c1ccccc1 270004a_100000207549_100000212034 [0,1,0,0,1,0|2,0,0]=4 6214 B15R1.115 CCCCN(C)CC(O)c1ccccc1 2230a_100000207549_100000185958 [0,1,0,0,1,0|2,0,0]=4 6215 B15R1.115 CCCCN(C)CC(O)c1ccccc1 2230a_100000227976_100000210211 [0,1,0,0,1,0|2,0,0]=4 6216 B15R1.115 CCCCN(C)CC(O)c1ccccc1 269982a_100000227976_100000210211 [0,1,0,0,1,0|2,0,0]=4 6217 B15R1.115 CCCCN(C)C[C@@H](O)c1ccccc1 2230a_100000207549_100011933945 [0,1,0,0,1,0|2,0,0]=4 6218 B15R1.115 CCOCC(C)OC(C)c1ccccc1 34a_100000718985_100000211855 [0,1,0,0,1,0|2,0,0]=4 6219 B15R1.115 CCOCC(C)OC(C)c1ccccc1 7a_100000718985_100000230085 [0,1,0,0,1,0|2,0,0]=4 6220 B15R1.127 CC(CCCCl)OCc1cccc(c1)Br 34a_200000718107_100000698116 [0,1,0,0,1,0|2,0,0]=4 6221 B15R1.127 CC(CCCCl)OCc1cccc(c1)Br 7a_200000718107_100000211773 [0,1,0,0,1,0|2,0,0]=4 6222 B15R1.127 CC(CCCCl)OCc1cccc(c1)Cl 34a_200000718107_100000187163 [0,1,0,0,1,0|2,0,0]=4 6223 B15R1.127 CC(CCCCl)OCc1cccc(c1)Cl 7a_200000718107_100000187163 [0,1,0,0,1,0|2,0,0]=4 6224 B15R1.127 CC(CCCCl)OCc1cccc(c1)F 34a_200000718107_100000187166 [0,1,0,0,1,0|2,0,0]=4 6225 B15R1.127 CC(CCCCl)OCc1cccc(c1)F 7a_200000718107_100000230114 [0,1,0,0,1,0|2,0,0]=4 6226 B15R1.127 CC(CCCCl)OCc1cccc(c1)I 34a_200000718107_100011218688 [0,1,0,0,1,0|2,0,0]=4 6227 B15R1.127 CC(CCCCl)OCc1cccc(c1)I 7a_200000718107_100011218688 [0,1,0,0,1,0|2,0,0]=4 6228 B15R1.127 CC(CCCCl)OCc1cccc(c1)O 34a_200000718107_100011660834 [0,1,0,0,1,0|2,0,0]=4 6229 B15R1.127 CC(CCCCl)OCc1cccc(c1)O 7a_200000718107_100000084143 [0,1,0,0,1,0|2,0,0]=4 6230 B15R1.127 CC(CCc1cccc(c1)Br)NCCO 270004a_100000210304_100011279149 [0,1,0,0,1,0|2,0,0]=4 6231 B15R1.127 CC(CCc1cccc(c1)F)NCCO 270004a_100000210304_100000743863 [0,1,0,0,1,0|2,0,0]=4 6232 B15R1.127 CCC#CC(C)OCc1cccc(c1)Br 34a_100000033903_100000698116 [0,1,0,0,1,0|1,0,1]=4 6233 B15R1.127 CCC#CC(C)OCc1cccc(c1)Br 7a_100000033903_100000211773 [0,1,0,0,1,0|1,0,1]=4 6234 B15R1.127 CCC#CC(C)OCc1cccc(c1)C 34a_100000033903_100000211840 [0,1,0,0,1,0|1,0,1]=4 6235 B15R1.127 CCC#CC(C)OCc1cccc(c1)C 7a_100000033903_100000211840 [0,1,0,0,1,0|1,0,1]=4 6236 B15R1.127 CCC#CC(C)OCc1cccc(c1)Cl 34a_100000033903_100000187163 [0,1,0,0,1,0|1,0,1]=4 6237 B15R1.127 CCC#CC(C)OCc1cccc(c1)Cl 7a_100000033903_100000187163 [0,1,0,0,1,0|1,0,1]=4 6238 B15R1.127 CCC#CC(C)OCc1cccc(c1)F 34a_100000033903_100000187166 [0,1,0,0,1,0|1,0,1]=4 6239 B15R1.127 CCC#CC(C)OCc1cccc(c1)F 7a_100000033903_100000230114 [0,1,0,0,1,0|1,0,1]=4 6240 B15R1.127 CCC#CC(C)OCc1cccc(c1)I 34a_100000033903_100011218688 [0,1,0,0,1,0|1,0,1]=4 6241 B15R1.127 CCC#CC(C)OCc1cccc(c1)I 7a_100000033903_100011218688 [0,1,0,0,1,0|1,0,1]=4 6242 B15R1.127 CCC#CC(C)OCc1cccc(c1)O 34a_100000033903_100011660834 [0,1,0,0,1,0|1,0,1]=4 6243 B15R1.127 CCC#CC(C)OCc1cccc(c1)O 7a_100000033903_100000084143 [0,1,0,0,1,0|1,0,1]=4 6244 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 207a_100000126638_100000210085 [0,1,0,0,1,0|2,0,0]=4 6245 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 2230a_100000126638_100000698116 [0,1,0,0,1,0|2,0,0]=4 6246 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 2230a_100000174977_200011215066 [0,1,0,0,1,0|2,0,0]=4 6247 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 270004a_100000126638_100000210085 [0,1,0,0,1,0|2,0,0]=4 6248 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 270004a_100000174977_100000210087 [0,1,0,0,1,0|2,0,0]=4 6249 B15R1.127 CCCCC(C)NCc1cccc(c1)Br 34a_100000174977_200011215066 [0,1,0,0,1,0|2,0,0]=4 6250 B15R1.127 CCCCC(C)NCc1cccc(c1)C 207a_100000126638_100000211157 [0,1,0,0,1,0|2,0,0]=4 6251 B15R1.127 CCCCC(C)NCc1cccc(c1)C 2230a_100000126638_100000211840 [0,1,0,0,1,0|2,0,0]=4 6252 B15R1.127 CCCCC(C)NCc1cccc(c1)C 2230a_100000185548_200011215066 [0,1,0,0,1,0|2,0,0]=4 6253 B15R1.127 CCCCC(C)NCc1cccc(c1)C 270004a_100000126638_100000211157 [0,1,0,0,1,0|2,0,0]=4 6254 B15R1.127 CCCCC(C)NCc1cccc(c1)C 270004a_100000185548_100000210087 [0,1,0,0,1,0|2,0,0]=4 6255 B15R1.127 CCCCC(C)NCc1cccc(c1)C 34a_100000185548_200011215066 [0,1,0,0,1,0|2,0,0]=4 6256 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 207a_100000126638_100000210801 [0,1,0,0,1,0|2,0,0]=4 6257 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 2230a_100000126638_100000181238 [0,1,0,0,1,0|2,0,0]=4 6258 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 2230a_100000174878_200011215066 [0,1,0,0,1,0|2,0,0]=4 6259 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 270004a_100000126638_100000210801 [0,1,0,0,1,0|2,0,0]=4 6260 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 270004a_100000174878_100000210087 [0,1,0,0,1,0|2,0,0]=4 6261 B15R1.127 CCCCC(C)NCc1cccc(c1)Cl 34a_100000174878_200011215066 [0,1,0,0,1,0|2,0,0]=4 6262 B15R1.127 CCCCC(C)NCc1cccc(c1)F 207a_100000126638_100000210812 [0,1,0,0,1,0|2,0,0]=4 6263 B15R1.127 CCCCC(C)NCc1cccc(c1)F 2230a_100000126638_100000230114 [0,1,0,0,1,0|2,0,0]=4 6264 B15R1.127 CCCCC(C)NCc1cccc(c1)F 2230a_100000174948_200011215066 [0,1,0,0,1,0|2,0,0]=4 6265 B15R1.127 CCCCC(C)NCc1cccc(c1)F 270004a_100000126638_100000210812 [0,1,0,0,1,0|2,0,0]=4 6266 B15R1.127 CCCCC(C)NCc1cccc(c1)F 270004a_100000174948_100000210087 [0,1,0,0,1,0|2,0,0]=4 6267 B15R1.127 CCCCC(C)NCc1cccc(c1)F 34a_100000174948_200011215066 [0,1,0,0,1,0|2,0,0]=4 6268 B15R1.127 CCCCC(C)NCc1cccc(c1)I 207a_100000126638_100000014684 [0,1,0,0,1,0|2,0,0]=4 6269 B15R1.127 CCCCC(C)NCc1cccc(c1)I 2230a_100000106179_200011215066 [0,1,0,0,1,0|2,0,0]=4 6270 B15R1.127 CCCCC(C)NCc1cccc(c1)I 2230a_100000126638_100011218688 [0,1,0,0,1,0|2,0,0]=4 6271 B15R1.127 CCCCC(C)NCc1cccc(c1)I 270004a_100000106179_100000210087 [0,1,0,0,1,0|2,0,0]=4 6272 B15R1.127 CCCCC(C)NCc1cccc(c1)I 270004a_100000126638_100000014684 [0,1,0,0,1,0|2,0,0]=4 6273 B15R1.127 CCCCC(C)NCc1cccc(c1)I 34a_100000106179_200011215066 [0,1,0,0,1,0|2,0,0]=4 6274 B15R1.127 CCCCC(C)NCc1cccc(c1)O 207a_100000126638_100000188321 [0,1,0,0,1,0|2,0,0]=4 6275 B15R1.127 CCCCC(C)NCc1cccc(c1)O 2230a_100000126638_100011660834 [0,1,0,0,1,0|2,0,0]=4 6276 B15R1.127 CCCCC(C)NCc1cccc(c1)O 2230a_100000743036_200011215066 [0,1,0,0,1,0|2,0,0]=4 6277 B15R1.127 CCCCC(C)NCc1cccc(c1)O 270004a_100000126638_100000188321 [0,1,0,0,1,0|2,0,0]=4 6278 B15R1.127 CCCCC(C)NCc1cccc(c1)O 270004a_100000743036_100000210087 [0,1,0,0,1,0|2,0,0]=4 6279 B15R1.127 CCCCC(C)NCc1cccc(c1)O 34a_100000743036_200011215066 [0,1,0,0,1,0|2,0,0]=4 6280 B15R1.127 CCCCC(C)OCc1cc(ccn1)Br 34a_100000687866_100010173614 [0,1,0,0,1,0|2,0,0]=4 6281 B15R1.127 CCCCC(C)OCc1cc(ccn1)Br 7a_100000687866_100010173614 [0,1,0,0,1,0|2,0,0]=4 6282 B15R1.127 CCCCC(C)OCc1cc(ccn1)C 34a_100000687866_100000718516 [0,1,0,0,1,0|2,0,0]=4 6283 B15R1.127 CCCCC(C)OCc1cc(ccn1)C 34a_100011998357_200011215066 [0,1,0,0,1,0|2,0,0]=4 6284 B15R1.127 CCCCC(C)OCc1cc(ccn1)C 7a_100000687866_100000718516 [0,1,0,0,1,0|2,0,0]=4 6285 B15R1.127 CCCCC(C)OCc1cc(ccn1)Cl 34a_100000687866_100016988179 [0,1,0,0,1,0|2,0,0]=4 6286 B15R1.127 CCCCC(C)OCc1cc(ccn1)Cl 34a_100000748867_200011215066 [0,1,0,0,1,0|2,0,0]=4 6287 B15R1.127 CCCCC(C)OCc1cc(ccn1)Cl 7a_100000687866_100016988179 [0,1,0,0,1,0|2,0,0]=4 6288 B15R1.127 CCCCC(C)OCc1cc(ccn1)N 34a_100000692640_200011215066 [0,1,0,0,1,0|2,0,0]=4 6289 B15R1.127 CCCCC(C)OCc1ccc[n+](c1)[O-] 34a_100000037817_200011215066 [0,1,0,0,1,0|2,0,0]=4 6290 B15R1.127 CCCCC(C)OCc1ccc[n+](c1)[O-] 7a_100000037817_200011215066 [0,1,0,0,1,0|2,0,0]=4 6291 B15R1.127 CCCCC(C)OCc1cccc(c1)Br 34a_100000687537_200011215066 [0,1,0,0,1,0|1,0,0]=3 6292 B15R1.127 CCCCC(C)OCc1cccc(c1)Br 34a_100000687866_100000698116 [0,1,0,0,1,0|1,0,0]=3 6293 B15R1.127 CCCCC(C)OCc1cccc(c1)Br 7a_100000687537_200011215066 [0,1,0,0,1,0|1,0,0]=3 6294 B15R1.127 CCCCC(C)OCc1cccc(c1)Br 7a_100000687866_100000211773 [0,1,0,0,1,0|1,0,0]=3 6295 B15R1.127 CCCCC(C)OCc1cccc(c1)C 34a_100000687866_100000211840 [0,1,0,0,1,0|1,0,0]=3 6296 B15R1.127 CCCCC(C)OCc1cccc(c1)C 34a_100011217746_200011215066 [0,1,0,0,1,0|1,0,0]=3 6297 B15R1.127 CCCCC(C)OCc1cccc(c1)C 7a_100000687866_100000211840 [0,1,0,0,1,0|1,0,0]=3 6298 B15R1.127 CCCCC(C)OCc1cccc(c1)C 7a_100011217746_200011215066 [0,1,0,0,1,0|1,0,0]=3 6299 B15R1.127 CCCCC(C)OCc1cccc(c1)Cl 34a_100000241301_200011215066 [0,1,0,0,1,0|1,0,0]=3 6300 B15R1.127 CCCCC(C)OCc1cccc(c1)Cl 34a_100000687866_100000187163 [0,1,0,0,1,0|1,0,0]=3 6301 B15R1.127 CCCCC(C)OCc1cccc(c1)Cl 7a_100000241301_200011215066 [0,1,0,0,1,0|1,0,0]=3 6302 B15R1.127 CCCCC(C)OCc1cccc(c1)Cl 7a_100000687866_100000187163 [0,1,0,0,1,0|1,0,0]=3 6303 B15R1.127 CCCCC(C)OCc1cccc(c1)F 34a_100000210976_200011215066 [0,1,0,0,1,0|1,0,0]=3 6304 B15R1.127 CCCCC(C)OCc1cccc(c1)F 34a_100000687866_100000187166 [0,1,0,0,1,0|1,0,0]=3 6305 B15R1.127 CCCCC(C)OCc1cccc(c1)F 7a_100000210976_200011215066 [0,1,0,0,1,0|1,0,0]=3 6306 B15R1.127 CCCCC(C)OCc1cccc(c1)F 7a_100000687866_100000230114 [0,1,0,0,1,0|1,0,0]=3 6307 B15R1.127 CCCCC(C)OCc1cccc(c1)I 34a_100000687866_100011218688 [0,1,0,0,1,0|1,0,0]=3 6308 B15R1.127 CCCCC(C)OCc1cccc(c1)I 34a_100011215336_200011215066 [0,1,0,0,1,0|1,0,0]=3 6309 B15R1.127 CCCCC(C)OCc1cccc(c1)I 7a_100000687866_100011218688 [0,1,0,0,1,0|1,0,0]=3 6310 B15R1.127 CCCCC(C)OCc1cccc(c1)I 7a_100011215336_200011215066 [0,1,0,0,1,0|1,0,0]=3 6311 B15R1.127 CCCCC(C)OCc1cccc(c1)N 34a_100000211919_200011215066 [0,1,0,0,1,0|1,0,0]=3 6312 B15R1.127 CCCCC(C)OCc1cccc(c1)O 34a_100000687866_100011660834 [0,1,0,0,1,0|1,0,0]=3 6313 B15R1.127 CCCCC(C)OCc1cccc(c1)O 7a_100000687866_100000084143 [0,1,0,0,1,0|1,0,0]=3 6314 B15R1.127 CCCCC(C)OCc1cccc(n1)Br 34a_100000687866_100009889011 [0,1,0,0,1,0|2,0,0]=4 6315 B15R1.127 CCCCC(C)OCc1cccc(n1)Br 34a_100000694195_200011215066 [0,1,0,0,1,0|2,0,0]=4 6316 B15R1.127 CCCCC(C)OCc1cccc(n1)Br 7a_100000687866_100009889011 [0,1,0,0,1,0|2,0,0]=4 6317 B15R1.127 CCCCC(C)OCc1cccc(n1)C 34a_100000687866_100000757606 [0,1,0,0,1,0|2,0,0]=4 6318 B15R1.127 CCCCC(C)OCc1cccc(n1)C 34a_100000690600_200011215066 [0,1,0,0,1,0|2,0,0]=4 6319 B15R1.127 CCCCC(C)OCc1cccc(n1)C 7a_100000687866_100000757606 [0,1,0,0,1,0|2,0,0]=4 6320 B15R1.127 CCCCC(C)OCc1cccc(n1)Cl 34a_100000687866_100000086093 [0,1,0,0,1,0|2,0,0]=4 6321 B15R1.127 CCCCC(C)OCc1cccc(n1)Cl 34a_100011998359_200011215066 [0,1,0,0,1,0|2,0,0]=4 6322 B15R1.127 CCCCC(C)OCc1cccc(n1)Cl 7a_100000687866_100000086093 [0,1,0,0,1,0|2,0,0]=4 6323 B15R1.127 CCCCC(C)OCc1cccc(n1)F 34a_100000086748_200011215066 [0,1,0,0,1,0|2,0,0]=4 6324 B15R1.127 CCCCC(C)OCc1cccc(n1)F 34a_100000687866_100009819644 [0,1,0,0,1,0|2,0,0]=4 6325 B15R1.127 CCCCC(C)OCc1cccc(n1)F 7a_100000687866_100009819644 [0,1,0,0,1,0|2,0,0]=4 6326 B15R1.127 CCCCC(C)OCc1ccnc(c1)Br 34a_100000687866_100010243470 [0,1,0,0,1,0|2,0,0]=4 6327 B15R1.127 CCCCC(C)OCc1ccnc(c1)Br 34a_100009814636_200011215066 [0,1,0,0,1,0|2,0,0]=4 6328 B15R1.127 CCCCC(C)OCc1ccnc(c1)Br 7a_100000687866_100010254460 [0,1,0,0,1,0|2,0,0]=4 6329 B15R1.127 CCCCC(C)OCc1ccnc(c1)Br 7a_100009814636_200011215066 [0,1,0,0,1,0|2,0,0]=4 6330 B15R1.127 CCCCC(C)OCc1ccnc(c1)C 34a_100000687866_200020672517 [0,1,0,0,1,0|2,0,0]=4 6331 B15R1.127 CCCCC(C)OCc1ccnc(c1)C 34a_100011998630_200011215066 [0,1,0,0,1,0|2,0,0]=4 6332 B15R1.127 CCCCC(C)OCc1ccnc(c1)C 7a_100000687866_200020672517 [0,1,0,0,1,0|2,0,0]=4 6333 B15R1.127 CCCCC(C)OCc1ccnc(c1)Cl 34a_100000687866_100000764220 [0,1,0,0,1,0|2,0,0]=4 6334 B15R1.127 CCCCC(C)OCc1ccnc(c1)Cl 34a_100000748751_200011215066 [0,1,0,0,1,0|2,0,0]=4 6335 B15R1.127 CCCCC(C)OCc1ccnc(c1)Cl 7a_100000687866_100000764220 [0,1,0,0,1,0|2,0,0]=4 6336 B15R1.127 CCCCC(C)OCc1ccnc(c1)F 34a_100000082451_200011215066 [0,1,0,0,1,0|2,0,0]=4 6337 B15R1.127 CCCCC(C)OCc1cncc(c1)Br 34a_100000687866_100000738771 [0,1,0,0,1,0|2,0,0]=4 6338 B15R1.127 CCCCC(C)OCc1cncc(c1)Br 34a_100011259137_200011215066 [0,1,0,0,1,0|2,0,0]=4 6339 B15R1.127 CCCCC(C)OCc1cncc(c1)Br 7a_100000687866_100000738771 [0,1,0,0,1,0|2,0,0]=4 6340 B15R1.127 CCCCC(C)OCc1cncc(c1)Br 7a_100011259137_200011215066 [0,1,0,0,1,0|2,0,0]=4 6341 B15R1.127 CCCCC(C)OCc1cncc(c1)C 34a_100000687866_100000716715 [0,1,0,0,1,0|2,0,0]=4 6342 B15R1.127 CCCCC(C)OCc1cncc(c1)C 34a_100011998709_200011215066 [0,1,0,0,1,0|2,0,0]=4 6343 B15R1.127 CCCCC(C)OCc1cncc(c1)C 7a_100000687866_100000716715 [0,1,0,0,1,0|2,0,0]=4 6344 B15R1.127 CCCCC(C)OCc1cncc(c1)C 7a_100011998709_200011215066 [0,1,0,0,1,0|2,0,0]=4 6345 B15R1.127 CCCCC(C)OCc1cncc(c1)Cl 34a_100000092867_200011215066 [0,1,0,0,1,0|2,0,0]=4 6346 B15R1.127 CCCCC(C)OCc1cncc(c1)Cl 34a_100000687866_100016992070 [0,1,0,0,1,0|2,0,0]=4 6347 B15R1.127 CCCCC(C)OCc1cncc(c1)Cl 7a_100000092867_200011215066 [0,1,0,0,1,0|2,0,0]=4 6348 B15R1.127 CCCCC(C)OCc1cncc(c1)Cl 7a_100000687866_100016992070 [0,1,0,0,1,0|2,0,0]=4 6349 B15R1.127 CCCCC(C)OCc1cncc(c1)F 34a_100000687866_100000725299 [0,1,0,0,1,0|2,0,0]=4 6350 B15R1.127 CCCCC(C)OCc1cncc(c1)F 34a_100011962875_200011215066 [0,1,0,0,1,0|2,0,0]=4 6351 B15R1.127 CCCCC(C)OCc1cncc(c1)F 7a_100000687866_100000725299 [0,1,0,0,1,0|2,0,0]=4 6352 B15R1.127 CCCCC(C)OCc1cncc(c1)F 7a_100011962875_200011215066 [0,1,0,0,1,0|2,0,0]=4 6353 B15R1.127 CCCCC(C)OCc1cncc(c1)N 34a_100000085308_200011215066 [0,1,0,0,1,0|2,0,0]=4 6354 B15R1.127 CCCCC(C)SCc1cccc(c1)C 62a_100000211840_200011215066 [0,1,0,0,1,0|1,1,0]=4 6355 B15R1.127 CCCCC(C)SCc1cccc(c1)C 62a_200011215066_100000211840 [0,1,0,0,1,0|1,1,0]=4 6356 B15R1.127 CCCCC(C)SCc1cccc(c1)F 62a_100000230114_200011215066 [0,1,0,0,1,0|1,1,0]=4 6357 B15R1.127 CCCCC(C)SCc1cccc(c1)F 62a_200011215066_100000230114 [0,1,0,0,1,0|1,1,0]=4 6358 B15R1.127 CCCCC(C)SCc1cccc(c1)O 62a_100011660834_200011215066 [0,1,0,0,1,0|1,1,0]=4 6359 B15R1.127 CCCCC(C)SCc1cccc(c1)O 62a_200011215066_100011660834 [0,1,0,0,1,0|1,1,0]=4 6360 B15R1.127 CCCCN(C)CCc1cccc(c1)Br 2230a_100000207549_100011740638 [0,1,0,0,1,0|2,0,0]=4 6361 B15R1.127 CCCCN(C)CCc1cccc(c1)Br 269982a_100000207549_100011740638 [0,1,0,0,1,0|2,0,0]=4 6362 B15R1.127 CCCCN(C)CCc1cccc(c1)C 2230a_100000207549_100011713685 [0,1,0,0,1,0|2,0,0]=4 6363 B15R1.127 CCCCN(C)CCc1cccc(c1)C 2230a_114849113767_100000210211 [0,1,0,0,1,0|2,0,0]=4 6364 B15R1.127 CCCCN(C)CCc1cccc(c1)C 269982a_100000207549_100011713685 [0,1,0,0,1,0|2,0,0]=4 6365 B15R1.127 CCCCN(C)CCc1cccc(c1)C 269982a_114849113767_100000210211 [0,1,0,0,1,0|2,0,0]=4 6366 B15R1.127 CCCCN(C)CCc1cccc(c1)C 34a_114849113767_100000210210 [0,1,0,0,1,0|2,0,0]=4 6367 B15R1.127 CCCCN(C)CCc1cccc(c1)Cl 2230a_100000207549_100011713710 [0,1,0,0,1,0|2,0,0]=4 6368 B15R1.127 CCCCN(C)CCc1cccc(c1)Cl 2230a_106726388433_100000210211 [0,1,0,0,1,0|2,0,0]=4 6369 B15R1.127 CCCCN(C)CCc1cccc(c1)Cl 269982a_100000207549_100011713710 [0,1,0,0,1,0|2,0,0]=4 6370 B15R1.127 CCCCN(C)CCc1cccc(c1)Cl 269982a_106726388433_100000210211 [0,1,0,0,1,0|2,0,0]=4 6371 B15R1.127 CCCCN(C)CCc1cccc(c1)Cl 34a_106726388433_100000210210 [0,1,0,0,1,0|2,0,0]=4 6372 B15R1.127 CCCCN(C)CCc1cccc(c1)F 2230a_100000207549_100011217235 [0,1,0,0,1,0|2,0,0]=4 6373 B15R1.127 CCCCN(C)CCc1cccc(c1)F 2230a_106726388868_100000210211 [0,1,0,0,1,0|2,0,0]=4 6374 B15R1.127 CCCCN(C)CCc1cccc(c1)F 269982a_100000207549_100011217235 [0,1,0,0,1,0|2,0,0]=4 6375 B15R1.127 CCCCN(C)CCc1cccc(c1)F 269982a_106726388868_100000210211 [0,1,0,0,1,0|2,0,0]=4 6376 B15R1.127 CCCCN(C)CCc1cccc(c1)F 34a_106726388868_100000210210 [0,1,0,0,1,0|2,0,0]=4 6377 B15R1.127 CCCNC(C)CCc1cccc(c1)Br 270004a_100020643023_100011279149 [0,1,0,0,1,0|1,0,0]=3 6378 B15R1.127 CCCNC(C)CCc1cccc(c1)F 270004a_100020643023_100000743863 [0,1,0,0,1,0|1,0,0]=3 6379 B15R1.127 CCCOC(C)CNc1cc(ccn1)F 27a_100015185124_100000764206 [0,1,0,0,1,0|2,0,0]=4 6380 B15R1.127 CCCOC(C)CNc1cc[nH]c(=O)c1 27a_100015185124_100000061649 [0,1,0,0,1,0|2,0,0]=4 6381 B15R1.127 CCCOC(C)CNc1cccc(n1)F 27a_100015185124_100009815982 [0,1,0,0,1,0|2,0,0]=4 6382 B15R1.127 CCCOC(C)CNc1ccnc(c1)C 27a_100015185124_100000758586 [0,1,0,0,1,0|2,0,0]=4 6383 B15R1.127 CCCOC(C)CNc1ccnc(c1)F 27a_100015185124_100009816116 [0,1,0,0,1,0|2,0,0]=4 6384 B15R1.127 CCCOC(C)COc1cccc(c1)C 34a_200011219432_100000210303 [0,1,0,0,1,0|1,0,0]=3 6385 B15R1.127 CCCOC(C)COc1cccc(c1)C 7a_200011219432_100000210303 [0,1,0,0,1,0|1,0,0]=3 6386 B15R1.127 CCOCC(C)OCc1cccc(c1)Br 34a_100000718985_100000698116 [0,1,0,0,1,0|2,0,0]=4 6387 B15R1.127 CCOCC(C)OCc1cccc(c1)Br 7a_100000718985_100000211773 [0,1,0,0,1,0|2,0,0]=4 6388 B15R1.127 CCOCC(C)OCc1cccc(c1)C 34a_100000718985_100000211840 [0,1,0,0,1,0|2,0,0]=4 6389 B15R1.127 CCOCC(C)OCc1cccc(c1)C 7a_100000718985_100000211840 [0,1,0,0,1,0|2,0,0]=4 6390 B15R1.127 CCOCC(C)OCc1cccc(c1)Cl 34a_100000718985_100000187163 [0,1,0,0,1,0|2,0,0]=4 6391 B15R1.127 CCOCC(C)OCc1cccc(c1)Cl 7a_100000718985_100000187163 [0,1,0,0,1,0|2,0,0]=4 6392 B15R1.127 CCOCC(C)OCc1cccc(c1)F 34a_100000718985_100000187166 [0,1,0,0,1,0|2,0,0]=4 6393 B15R1.127 CCOCC(C)OCc1cccc(c1)F 7a_100000718985_100000230114 [0,1,0,0,1,0|2,0,0]=4 6394 B15R1.127 CCOCC(C)OCc1cccc(c1)I 34a_100000718985_100011218688 [0,1,0,0,1,0|2,0,0]=4 6395 B15R1.127 CCOCC(C)OCc1cccc(c1)I 7a_100000718985_100011218688 [0,1,0,0,1,0|2,0,0]=4 6396 B15R1.127 CCOCC(C)OCc1cccc(c1)O 34a_100000718985_100011660834 [0,1,0,0,1,0|2,0,0]=4 6397 B15R1.127 CCOCC(C)OCc1cccc(c1)O 7a_100000718985_100000084143 [0,1,0,0,1,0|2,0,0]=4 6398 B15R1.127 CSCOC(C)COc1cccc(c1)C 34a_200011219432_100011218213 [0,1,0,0,1,0|2,0,0]=4 6399 B15R1.127 Cc1cccc(c1)COC(C)CCCCl 34a_200000718107_100000211840 [0,1,0,0,1,0|2,0,0]=4 6400 B15R1.127 Cc1cccc(c1)COC(C)CCCCl 7a_200000718107_100000211840 [0,1,0,0,1,0|2,0,0]=4 6401 B15R1.127 Cc1cccc(c1)OCC(C)OCCF 34a_200011219432_100011217306 [0,1,0,0,1,0|2,0,0]=4 6402 B15R1.127 Cc1cccc(c1)OCC(C)OCCF 7a_200011219432_100011217306 [0,1,0,0,1,0|2,0,0]=4 6403 B15R1.127 Cc1cccc(c1)OCC(C)OCCO 34a_200011219432_100000211926 [0,1,0,0,1,0|2,0,0]=4 6404 B15R1.127 Cc1cccc(c1)OCC(C)OCCO 7a_200011219432_100000211926 [0,1,0,0,1,0|2,0,0]=4 6405 B15R1.139 CC(CCCCl)OCc1ccc(cc1)Br 34a_200000718107_100000189115 [0,1,0,0,1,0|2,0,0]=4 6406 B15R1.139 CC(CCCCl)OCc1ccc(cc1)Br 7a_200000718107_100011217064 [0,1,0,0,1,0|2,0,0]=4 6407 B15R1.139 CC(CCCCl)OCc1ccc(cc1)Cl 34a_200000718107_100000694040 [0,1,0,0,1,0|2,0,0]=4 6408 B15R1.139 CC(CCCCl)OCc1ccc(cc1)Cl 7a_200000718107_100000187161 [0,1,0,0,1,0|2,0,0]=4 6409 B15R1.139 CC(CCCCl)OCc1ccc(cc1)F 34a_200000718107_100000198546 [0,1,0,0,1,0|2,0,0]=4 6410 B15R1.139 CC(CCCCl)OCc1ccc(cc1)F 7a_200000718107_100000198546 [0,1,0,0,1,0|2,0,0]=4 6411 B15R1.139 CC(CCCCl)OCc1ccc(cc1)I 34a_200000718107_100000189116 [0,1,0,0,1,0|2,0,0]=4 6412 B15R1.139 CC(CCCCl)OCc1ccc(cc1)I 7a_200000718107_100000189116 [0,1,0,0,1,0|2,0,0]=4 6413 B15R1.139 CC(CCc1ccc(cc1)Cl)NCCO 270004a_100000210304_100011279170 [0,1,0,0,1,0|2,0,0]=4 6414 B15R1.139 CC(CCc1ccc(cc1)F)NCCO 270004a_100000210304_100000743244 [0,1,0,0,1,0|2,0,0]=4 6415 B15R1.139 CC(CCc1ccc(cc1)I)NCCO 270004a_100000210304_100000723691 [0,1,0,0,1,0|2,0,0]=4 6416 B15R1.139 CC(CCc1ccc(cc1)O)NCCO 270004a_100000210304_100000198047 [0,1,0,0,1,0|2,0,0]=4 6417 B15R1.139 CCC#CC(C)OCc1ccc(cc1)Br 34a_100000033903_100000189115 [0,1,0,0,1,0|1,0,1]=4 6418 B15R1.139 CCC#CC(C)OCc1ccc(cc1)Br 7a_100000033903_100011217064 [0,1,0,0,1,0|1,0,1]=4 6419 B15R1.139 CCC#CC(C)OCc1ccc(cc1)C 34a_100000033903_100000210814 [0,1,0,0,1,0|1,0,1]=4 6420 B15R1.139 CCC#CC(C)OCc1ccc(cc1)C 7a_100000033903_100000210814 [0,1,0,0,1,0|1,0,1]=4 6421 B15R1.139 CCC#CC(C)OCc1ccc(cc1)Cl 34a_100000033903_100000694040 [0,1,0,0,1,0|1,0,1]=4 6422 B15R1.139 CCC#CC(C)OCc1ccc(cc1)Cl 7a_100000033903_100000187161 [0,1,0,0,1,0|1,0,1]=4 6423 B15R1.139 CCC#CC(C)OCc1ccc(cc1)F 34a_100000033903_100000198546 [0,1,0,0,1,0|1,0,1]=4 6424 B15R1.139 CCC#CC(C)OCc1ccc(cc1)F 7a_100000033903_100000198546 [0,1,0,0,1,0|1,0,1]=4 6425 B15R1.139 CCC#CC(C)OCc1ccc(cc1)I 34a_100000033903_100000189116 [0,1,0,0,1,0|1,0,1]=4 6426 B15R1.139 CCC#CC(C)OCc1ccc(cc1)I 7a_100000033903_100000189116 [0,1,0,0,1,0|1,0,1]=4 6427 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 207a_100000126638_100000186029 [0,1,0,0,1,0|2,0,0]=4 6428 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 2230a_100000126638_100011217064 [0,1,0,0,1,0|2,0,0]=4 6429 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 2230a_100000174875_200011215066 [0,1,0,0,1,0|2,0,0]=4 6430 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 270004a_100000126638_100000186029 [0,1,0,0,1,0|2,0,0]=4 6431 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 270004a_100000174875_100000210087 [0,1,0,0,1,0|2,0,0]=4 6432 B15R1.139 CCCCC(C)NCc1ccc(cc1)Br 34a_100000174875_200011215066 [0,1,0,0,1,0|2,0,0]=4 6433 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 207a_100000126638_100000211033 [0,1,0,0,1,0|2,0,0]=4 6434 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 2230a_100000126638_100000210814 [0,1,0,0,1,0|2,0,0]=4 6435 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 2230a_100000174908_200011215066 [0,1,0,0,1,0|2,0,0]=4 6436 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 270004a_100000126638_100000211033 [0,1,0,0,1,0|2,0,0]=4 6437 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 270004a_100000174908_100000210087 [0,1,0,0,1,0|2,0,0]=4 6438 B15R1.139 CCCCC(C)NCc1ccc(cc1)C 34a_100000174908_200011215066 [0,1,0,0,1,0|2,0,0]=4 6439 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 207a_100000126638_100000189385 [0,1,0,0,1,0|2,0,0]=4 6440 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 2230a_100000126638_100000694040 [0,1,0,0,1,0|2,0,0]=4 6441 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 2230a_100000174871_200011215066 [0,1,0,0,1,0|2,0,0]=4 6442 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 270004a_100000126638_100000189385 [0,1,0,0,1,0|2,0,0]=4 6443 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 270004a_100000174871_100000210087 [0,1,0,0,1,0|2,0,0]=4 6444 B15R1.139 CCCCC(C)NCc1ccc(cc1)Cl 34a_100000174871_200011215066 [0,1,0,0,1,0|2,0,0]=4 6445 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 207a_100000126638_100000210084 [0,1,0,0,1,0|2,0,0]=4 6446 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 2230a_100000126638_100000198546 [0,1,0,0,1,0|2,0,0]=4 6447 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 2230a_100000174882_200011215066 [0,1,0,0,1,0|2,0,0]=4 6448 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 270004a_100000126638_100000210084 [0,1,0,0,1,0|2,0,0]=4 6449 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 270004a_100000174882_100000210087 [0,1,0,0,1,0|2,0,0]=4 6450 B15R1.139 CCCCC(C)NCc1ccc(cc1)F 34a_100000174882_200011215066 [0,1,0,0,1,0|2,0,0]=4 6451 B15R1.139 CCCCC(C)NCc1ccc(cc1)I 207a_100000126638_100000188517 [0,1,0,0,1,0|2,0,0]=4 6452 B15R1.139 CCCCC(C)NCc1ccc(cc1)I 2230a_100000126638_100000189116 [0,1,0,0,1,0|2,0,0]=4 6453 B15R1.139 CCCCC(C)NCc1ccc(cc1)I 2230a_100016989417_200011215066 [0,1,0,0,1,0|2,0,0]=4 6454 B15R1.139 CCCCC(C)NCc1ccc(cc1)I 270004a_100016989417_100000210087 [0,1,0,0,1,0|2,0,0]=4 6455 B15R1.139 CCCCC(C)NCc1ccc(cc1)I 34a_100016989417_200011215066 [0,1,0,0,1,0|2,0,0]=4 6456 B15R1.139 CCCCC(C)NCc1ccc(cc1)O 34a_100000185549_200011215066 [0,1,0,0,1,0|2,0,0]=4 6457 B15R1.139 CCCCC(C)OCc1cc[n+](cc1)C 34a_100009831711_200011215066 [0,1,0,0,1,0|2,0,0]=4 6458 B15R1.139 CCCCC(C)OCc1cc[n+](cc1)[O-] 34a_100000031831_200011215066 [0,1,0,0,1,0|2,0,0]=4 6459 B15R1.139 CCCCC(C)OCc1cc[n+](cc1)[O-] 7a_100000031831_200011215066 [0,1,0,0,1,0|2,0,0]=4 6460 B15R1.139 CCCCC(C)OCc1ccc(=O)[nH]c1 34a_100011999846_200011215066 [0,1,0,0,1,0|2,0,0]=4 6461 B15R1.139 CCCCC(C)OCc1ccc(cc1)Br 34a_100000687866_100000189115 [0,1,0,0,1,0|1,0,0]=3 6462 B15R1.139 CCCCC(C)OCc1ccc(cc1)Br 34a_100000695286_200011215066 [0,1,0,0,1,0|1,0,0]=3 6463 B15R1.139 CCCCC(C)OCc1ccc(cc1)Br 7a_100000687866_100011217064 [0,1,0,0,1,0|1,0,0]=3 6464 B15R1.139 CCCCC(C)OCc1ccc(cc1)C 34a_100000687866_100000210814 [0,1,0,0,1,0|1,0,0]=3 6465 B15R1.139 CCCCC(C)OCc1ccc(cc1)C 34a_100011215236_200011215066 [0,1,0,0,1,0|1,0,0]=3 6466 B15R1.139 CCCCC(C)OCc1ccc(cc1)C 7a_100000687866_100000210814 [0,1,0,0,1,0|1,0,0]=3 6467 B15R1.139 CCCCC(C)OCc1ccc(cc1)C 7a_100011215236_200011215066 [0,1,0,0,1,0|1,0,0]=3 6468 B15R1.139 CCCCC(C)OCc1ccc(cc1)Cl 34a_100000211118_200011215066 [0,1,0,0,1,0|1,0,0]=3 6469 B15R1.139 CCCCC(C)OCc1ccc(cc1)Cl 34a_100000687866_100000694040 [0,1,0,0,1,0|1,0,0]=3 6470 B15R1.139 CCCCC(C)OCc1ccc(cc1)Cl 7a_100000211118_200011215066 [0,1,0,0,1,0|1,0,0]=3 6471 B15R1.139 CCCCC(C)OCc1ccc(cc1)Cl 7a_100000687866_100000187161 [0,1,0,0,1,0|1,0,0]=3 6472 B15R1.139 CCCCC(C)OCc1ccc(cc1)F 34a_100000210977_200011215066 [0,1,0,0,1,0|1,0,0]=3 6473 B15R1.139 CCCCC(C)OCc1ccc(cc1)F 34a_100000687866_100000198546 [0,1,0,0,1,0|1,0,0]=3 6474 B15R1.139 CCCCC(C)OCc1ccc(cc1)F 7a_100000210977_200011215066 [0,1,0,0,1,0|1,0,0]=3 6475 B15R1.139 CCCCC(C)OCc1ccc(cc1)F 7a_100000687866_100000198546 [0,1,0,0,1,0|1,0,0]=3 6476 B15R1.139 CCCCC(C)OCc1ccc(cc1)I 34a_100000687866_100000189116 [0,1,0,0,1,0|1,0,0]=3 6477 B15R1.139 CCCCC(C)OCc1ccc(cc1)I 34a_100000690907_200011215066 [0,1,0,0,1,0|1,0,0]=3 6478 B15R1.139 CCCCC(C)OCc1ccc(cc1)I 7a_100000687866_100000189116 [0,1,0,0,1,0|1,0,0]=3 6479 B15R1.139 CCCCC(C)OCc1ccc(cc1)I 7a_100000690907_200011215066 [0,1,0,0,1,0|1,0,0]=3 6480 B15R1.139 CCCCC(C)OCc1ccc(cc1)N 34a_100011215238_200011215066 [0,1,0,0,1,0|1,0,0]=3 6481 B15R1.139 CCCCC(C)OCc1ccc(cn1)Br 34a_100000687866_100000702658 [0,1,0,0,1,0|2,0,0]=4 6482 B15R1.139 CCCCC(C)OCc1ccc(cn1)Br 34a_100000754261_200011215066 [0,1,0,0,1,0|2,0,0]=4 6483 B15R1.139 CCCCC(C)OCc1ccc(cn1)Br 7a_100000687866_100000702658 [0,1,0,0,1,0|2,0,0]=4 6484 B15R1.139 CCCCC(C)OCc1ccc(cn1)C 34a_100000687866_100000691093 [0,1,0,0,1,0|2,0,0]=4 6485 B15R1.139 CCCCC(C)OCc1ccc(cn1)C 34a_100012001401_200011215066 [0,1,0,0,1,0|2,0,0]=4 6486 B15R1.139 CCCCC(C)OCc1ccc(cn1)C 7a_100000687866_100000691093 [0,1,0,0,1,0|2,0,0]=4 6487 B15R1.139 CCCCC(C)OCc1ccc(cn1)Cl 34a_100000687866_100012066911 [0,1,0,0,1,0|2,0,0]=4 6488 B15R1.139 CCCCC(C)OCc1ccc(cn1)Cl 34a_100000703999_200011215066 [0,1,0,0,1,0|2,0,0]=4 6489 B15R1.139 CCCCC(C)OCc1ccc(cn1)Cl 7a_100000687866_100012066911 [0,1,0,0,1,0|2,0,0]=4 6490 B15R1.139 CCCCC(C)OCc1ccc(cn1)F 34a_100000687866_100000703193 [0,1,0,0,1,0|2,0,0]=4 6491 B15R1.139 CCCCC(C)OCc1ccc(cn1)F 34a_100011999454_200011215066 [0,1,0,0,1,0|2,0,0]=4 6492 B15R1.139 CCCCC(C)OCc1ccc(cn1)F 7a_100000687866_100000703193 [0,1,0,0,1,0|2,0,0]=4 6493 B15R1.139 CCCCC(C)OCc1ccc(cn1)N 34a_100011998161_200011215066 [0,1,0,0,1,0|2,0,0]=4 6494 B15R1.139 CCCCC(C)OCc1ccc(nc1)Br 34a_100000687866_100009831999 [0,1,0,0,1,0|2,0,0]=4 6495 B15R1.139 CCCCC(C)OCc1ccc(nc1)Br 34a_100009816760_200011215066 [0,1,0,0,1,0|2,0,0]=4 6496 B15R1.139 CCCCC(C)OCc1ccc(nc1)Br 7a_100000687866_100009831999 [0,1,0,0,1,0|2,0,0]=4 6497 B15R1.139 CCCCC(C)OCc1ccc(nc1)Br 7a_100009816760_200011215066 [0,1,0,0,1,0|2,0,0]=4 6498 B15R1.139 CCCCC(C)OCc1ccc(nc1)C 34a_100000687866_100016987292 [0,1,0,0,1,0|2,0,0]=4 6499 B15R1.139 CCCCC(C)OCc1ccc(nc1)C 34a_100011248133_200011215066 [0,1,0,0,1,0|2,0,0]=4 6500 B15R1.139 CCCCC(C)OCc1ccc(nc1)C 7a_100000687866_100016987292 [0,1,0,0,1,0|2,0,0]=4 6501 B15R1.139 CCCCC(C)OCc1ccc(nc1)Cl 34a_100000687866_100000735431 [0,1,0,0,1,0|2,0,0]=4 6502 B15R1.139 CCCCC(C)OCc1ccc(nc1)Cl 34a_100000755211_200011215066 [0,1,0,0,1,0|2,0,0]=4 6503 B15R1.139 CCCCC(C)OCc1ccc(nc1)Cl 7a_100000687866_100000735431 [0,1,0,0,1,0|2,0,0]=4 6504 B15R1.139 CCCCC(C)OCc1ccc(nc1)Cl 7a_100000755211_200011215066 [0,1,0,0,1,0|2,0,0]=4 6505 B15R1.139 CCCCC(C)OCc1ccc(nc1)F 34a_100000079959_200011215066 [0,1,0,0,1,0|2,0,0]=4 6506 B15R1.139 CCCCC(C)OCc1ccc(nc1)F 34a_100000687866_100000099788 [0,1,0,0,1,0|2,0,0]=4 6507 B15R1.139 CCCCC(C)OCc1ccc(nc1)F 7a_100000687866_100009820150 [0,1,0,0,1,0|2,0,0]=4 6508 B15R1.139 CCCCC(C)OCc1ccc(nc1)N 34a_100000704267_200011215066 [0,1,0,0,1,0|2,0,0]=4 6509 B15R1.139 CCCCC(C)SCc1ccc(cc1)C 62a_100000210814_200011215066 [0,1,0,0,1,0|1,1,0]=4 6510 B15R1.139 CCCCC(C)SCc1ccc(cc1)C 62a_200011215066_100000210814 [0,1,0,0,1,0|1,1,0]=4 6511 B15R1.139 CCCCC(C)SCc1ccc(cc1)F 62a_100000198546_200011215066 [0,1,0,0,1,0|1,1,0]=4 6512 B15R1.139 CCCCC(C)SCc1ccc(cc1)F 62a_200011215066_100000187164 [0,1,0,0,1,0|1,1,0]=4 6513 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 2230a_100000207549_100011740612 [0,1,0,0,1,0|2,0,0]=4 6514 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 2230a_100000752880_100000210211 [0,1,0,0,1,0|2,0,0]=4 6515 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 269982a_100000207549_100011740612 [0,1,0,0,1,0|2,0,0]=4 6516 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 269982a_100000752880_100000210211 [0,1,0,0,1,0|2,0,0]=4 6517 B15R1.139 CCCCN(C)CCc1ccc(cc1)Br 34a_100000752880_100000210210 [0,1,0,0,1,0|2,0,0]=4 6518 B15R1.139 CCCCN(C)CCc1ccc(cc1)C 2230a_100000207549_100011713686 [0,1,0,0,1,0|2,0,0]=4 6519 B15R1.139 CCCCN(C)CCc1ccc(cc1)C 269982a_100000207549_100011713686 [0,1,0,0,1,0|2,0,0]=4 6520 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 2230a_100000207549_100011713675 [0,1,0,0,1,0|2,0,0]=4 6521 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 2230a_100000698262_100000210211 [0,1,0,0,1,0|2,0,0]=4 6522 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 269982a_100000207549_100011713675 [0,1,0,0,1,0|2,0,0]=4 6523 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 269982a_100000698262_100000210211 [0,1,0,0,1,0|2,0,0]=4 6524 B15R1.139 CCCCN(C)CCc1ccc(cc1)Cl 34a_100000698262_100000210210 [0,1,0,0,1,0|2,0,0]=4 6525 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 2230a_100000207549_100011217392 [0,1,0,0,1,0|2,0,0]=4 6526 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 2230a_100102946585_100000210211 [0,1,0,0,1,0|2,0,0]=4 6527 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 269982a_100000207549_100011217392 [0,1,0,0,1,0|2,0,0]=4 6528 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 269982a_100102946585_100000210211 [0,1,0,0,1,0|2,0,0]=4 6529 B15R1.139 CCCCN(C)CCc1ccc(cc1)F 34a_100102946585_100000210210 [0,1,0,0,1,0|2,0,0]=4 6530 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 2230a_100000207549_100009816426 [0,1,0,0,1,0|2,0,0]=4 6531 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 2230a_100016989440_100000210211 [0,1,0,0,1,0|2,0,0]=4 6532 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 269982a_100000207549_100009816426 [0,1,0,0,1,0|2,0,0]=4 6533 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 269982a_100016989440_100000210211 [0,1,0,0,1,0|2,0,0]=4 6534 B15R1.139 CCCCN(C)CCc1ccc(cc1)O 34a_100016989440_100000210210 [0,1,0,0,1,0|2,0,0]=4 6535 B15R1.139 CCCNC(C)CCc1ccc(cc1)Cl 270004a_100020643023_100011279170 [0,1,0,0,1,0|1,0,0]=3 6536 B15R1.139 CCCNC(C)CCc1ccc(cc1)F 270004a_100020643023_100000743244 [0,1,0,0,1,0|1,0,0]=3 6537 B15R1.139 CCCNC(C)CCc1ccc(cc1)I 270004a_100020643023_100000723691 [0,1,0,0,1,0|1,0,0]=3 6538 B15R1.139 CCCNC(C)CCc1ccc(cc1)O 270004a_100020643023_100000198047 [0,1,0,0,1,0|1,0,0]=3 6539 B15R1.139 CCCNC(C)COc1ccc(cc1)C 2230a_100000743913_100000210303 [0,1,0,0,1,0|2,0,0]=4 6540 B15R1.139 CCCNC(C)COc1ccc(cc1)C 34a_100000743913_100000210303 [0,1,0,0,1,0|2,0,0]=4 6541 B15R1.139 CCCNC(C)COc1ccc(cc1)Cl 270004a_100020643023_200000150450 [0,1,0,0,1,0|2,0,0]=4 6542 B15R1.139 CCCNC(C)CSc1ccc(cc1)C 270004a_100020643023_100000172844 [0,1,0,0,1,0|2,0,0]=4 6543 B15R1.139 CCCNC(C)CSc1ccc(cc1)Cl 270004a_100020643023_100000150472 [0,1,0,0,1,0|2,0,0]=4 6544 B15R1.139 CCCNC(C)CSc1ccc(cc1)F 270004a_100020643023_200000148136 [0,1,0,0,1,0|2,0,0]=4 6545 B15R1.139 CCCOC(C)CNc1ccc(cn1)Br 27a_100015185124_100000686858 [0,1,0,0,1,0|2,0,0]=4 6546 B15R1.139 CCCOC(C)COc1ccc(cc1)C 34a_100011217472_100000210303 [0,1,0,0,1,0|1,0,0]=3 6547 B15R1.139 CCCOC(C)COc1ccc(cc1)C 7a_100011217472_100000210303 [0,1,0,0,1,0|1,0,0]=3 6548 B15R1.139 CCOCC(C)OCc1ccc(cc1)Br 34a_100000718985_100000189115 [0,1,0,0,1,0|2,0,0]=4 6549 B15R1.139 CCOCC(C)OCc1ccc(cc1)Br 7a_100000718985_100011217064 [0,1,0,0,1,0|2,0,0]=4 6550 B15R1.139 CCOCC(C)OCc1ccc(cc1)C 34a_100000718985_100000210814 [0,1,0,0,1,0|2,0,0]=4 6551 B15R1.139 CCOCC(C)OCc1ccc(cc1)C 7a_100000718985_100000210814 [0,1,0,0,1,0|2,0,0]=4 6552 B15R1.139 CCOCC(C)OCc1ccc(cc1)Cl 34a_100000718985_100000694040 [0,1,0,0,1,0|2,0,0]=4 6553 B15R1.139 CCOCC(C)OCc1ccc(cc1)Cl 7a_100000718985_100000187161 [0,1,0,0,1,0|2,0,0]=4 6554 B15R1.139 CCOCC(C)OCc1ccc(cc1)F 34a_100000718985_100000198546 [0,1,0,0,1,0|2,0,0]=4 6555 B15R1.139 CCOCC(C)OCc1ccc(cc1)F 7a_100000718985_100000198546 [0,1,0,0,1,0|2,0,0]=4 6556 B15R1.139 CCOCC(C)OCc1ccc(cc1)I 34a_100000718985_100000189116 [0,1,0,0,1,0|2,0,0]=4 6557 B15R1.139 CCOCC(C)OCc1ccc(cc1)I 7a_100000718985_100000189116 [0,1,0,0,1,0|2,0,0]=4 6558 B15R1.139 CSCOC(C)COc1ccc(cc1)C 34a_100011217472_100011218213 [0,1,0,0,1,0|2,0,0]=4 6559 B15R1.139 Cc1ccc(cc1)COC(C)CCCCl 34a_200000718107_100000210814 [0,1,0,0,1,0|2,0,0]=4 6560 B15R1.139 Cc1ccc(cc1)COC(C)CCCCl 7a_200000718107_100000210814 [0,1,0,0,1,0|2,0,0]=4 6561 B15R1.139 Cc1ccc(cc1)OCC(C)OCCF 34a_100011217472_100011217306 [0,1,0,0,1,0|2,0,0]=4 6562 B15R1.139 Cc1ccc(cc1)OCC(C)OCCF 7a_100011217472_100011217306 [0,1,0,0,1,0|2,0,0]=4 6563 B15R1.139 Cc1ccc(cc1)OCC(C)OCCO 34a_100011217472_100000211926 [0,1,0,0,1,0|2,0,0]=4 6564 B15R1.139 Cc1ccc(cc1)OCC(C)OCCO 7a_100011217472_100000211926 [0,1,0,0,1,0|2,0,0]=4 6565 B15R1.551 CC(Cc1ccccc1)C(C)NCCF 269862a_100000724931_200011390852 [0,1,0,0,1,0|2,0,0]=4 6566 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 269862a_100000210304_200011390852 [0,1,0,0,1,0|2,0,0]=4 6567 B15R1.551 CC(Cc1ccccc1)C(C)NCCO 270004a_100000210304_200011390852 [0,1,0,0,1,0|2,0,0]=4 6568 B15R1.551 CCCCC(C)C(=O)Cc1ccccc1 1458a_100000725509_100015291786 [0,1,0,0,1,0|1,0,1]=4 6569 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 2230a_100000186898_200011215066 [0,1,0,0,1,0|2,0,0]=4 6570 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 269982a_100000186898_200011215066 [0,1,0,0,1,0|2,0,0]=4 6571 B15R1.551 CCCCC(C)N(C)Cc1ccccc1 270004a_100000186898_100000210087 [0,1,0,0,1,0|2,0,0]=4 6572 B15R1.551 CCCCN(C)C(C)Cc1ccccc1 269982a_100000207549_200011218536 [0,1,0,0,1,0|2,0,0]=4 6573 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 269862a_100020643023_200011390852 [0,1,0,0,1,0|1,0,0]=3 6574 B15R1.551 CCCNC(C)C(C)Cc1ccccc1 270004a_100020643023_200011390852 [0,1,0,0,1,0|1,0,0]=3 6575 B15R1.551 CCCNC(C)C(C)Oc1ccccc1 270004a_100020643023_100000150574 [0,1,0,0,1,0|2,0,0]=4 6576 B15R1.551 CCCOC(C)C(=O)Nc1ccccc1 34a_100000210258_100000183986 [0,1,0,0,1,0|1,0,1]=4 6577 B15R1.741 C#CC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_200000035995 [0,1,0,0,1,0|0,0,2]=4 6578 B15R1.741 CC(C#N)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000703298 [0,1,0,0,1,0|1,0,1]=4 6579 B15R1.741 CC(CCc1ccccc1)N[C@H](C)CF 270004a_100102880703_100000210092 [0,1,0,0,1,0|2,0,0]=4 6580 B15R1.741 CC(CCc1ccccc1)N[C@H](C)CO 270004a_100000737577_100000210092 [0,1,0,0,1,0|2,0,0]=4 6581 B15R1.741 CC(CO)NC(C)CCc1ccccc1 2230a_100000210798_100012180447 [0,1,0,0,1,0|2,0,0]=4 6582 B15R1.741 CC(CO)NC(C)CCc1ccccc1 34a_100000210798_100012180447 [0,1,0,0,1,0|2,0,0]=4 6583 B15R1.741 CC(CO)OC(C)COc1ccccc1 34a_100000210911_100012180447 [0,1,0,0,1,0|2,0,0]=4 6584 B15R1.741 CC(CO)OC(C)COc1ccccc1 7a_100000210911_100012180447 [0,1,0,0,1,0|2,0,0]=4 6585 B15R1.741 CC(CO)O[C@@H](C)CCc1ccccc1 34a_100009815974_100012180447 [0,1,0,0,1,0|1,0,0]=3 6586 B15R1.741 CC(CO)O[C@@H](C)CCc1ccccc1 7a_100009815974_100012180447 [0,1,0,0,1,0|1,0,0]=3 6587 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 11a_100000210798_100000210414 [0,1,0,0,1,0|1,0,1]=4 6588 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 1626a_100000210798_100000210414 [0,1,0,0,1,0|1,0,1]=4 6589 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 240690a_100000210798_100000210414 [0,1,0,0,1,0|1,0,1]=4 6590 B15R1.741 CCC(=O)NC(C)CCc1ccccc1 527a_100000210798_100000210414 [0,1,0,0,1,0|1,0,1]=4 6591 B15R1.741 CCC(C)CC(C)NCc1ccccc1 207a_100000763565_100015611070 [0,1,0,0,1,0|2,0,0]=4 6592 B15R1.741 CCC(C)CC(C)NCc1ccccc1 2230a_100000763565_100015291786 [0,1,0,0,1,0|2,0,0]=4 6593 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100000763565_100015611070 [0,1,0,0,1,0|2,0,0]=4 6594 B15R1.741 CCC(C)CC(C)NCc1ccccc1 270004a_100015324214_100011710205 [0,1,0,0,1,0|2,0,0]=4 6595 B15R1.741 CCC(C)CN(C)CCc1ccccc1 2230a_100000207497_100000748023 [0,1,0,0,1,0|2,0,0]=4 6596 B15R1.741 CCC(C)CN(C)CCc1ccccc1 2230a_100000753921_100000765856 [0,1,0,0,1,0|2,0,0]=4 6597 B15R1.741 CCC(C)CN(C)CCc1ccccc1 269982a_100000207497_100000748023 [0,1,0,0,1,0|2,0,0]=4 6598 B15R1.741 CCC(C)CN(C)CCc1ccccc1 269982a_100000753921_100000765856 [0,1,0,0,1,0|2,0,0]=4 6599 B15R1.741 CCC(C)CN(C)CCc1ccccc1 270004a_100000207497_100000243153 [0,1,0,0,1,0|2,0,0]=4 6600 B15R1.741 CCC(C)NC(C)CCc1ccccc1 2230a_100000210798_100000758301 [0,1,0,0,1,0|1,0,0]=3 6601 B15R1.741 CCC(C)NC(C)CCc1ccccc1 270004a_100000209981_100000210092 [0,1,0,0,1,0|1,0,0]=3 6602 B15R1.741 CCC(C)NC(C)CCc1ccccc1 34a_100000210798_100011215416 [0,1,0,0,1,0|1,0,0]=3 6603 B15R1.741 CCC(C)NC(C)COc1ccccc1 2230a_100000746794_100000758301 [0,1,0,0,1,0|2,0,0]=4 6604 B15R1.741 CCC(C)NC(C)COc1ccccc1 270004a_100000209981_100000150576 [0,1,0,0,1,0|2,0,0]=4 6605 B15R1.741 CCC(C)NC(C)COc1ccccc1 34a_100000746794_100011215416 [0,1,0,0,1,0|2,0,0]=4 6606 B15R1.741 CCC(C)NC(C)CSc1ccccc1 270004a_100000209981_100000150717 [0,1,0,0,1,0|2,0,0]=4 6607 B15R1.741 CCC(C)OC(C)C#Cc1ccccc1 34a_200000065209_100011215416 [0,1,0,0,1,0|0,0,2]=4 6608 B15R1.741 CCC(C)OC(C)C#Cc1ccccc1 7a_200000065209_100000758301 [0,1,0,0,1,0|0,0,2]=4 6609 B15R1.741 CCC(C)OC(C)COc1ccccc1 34a_100000210911_100011215416 [0,1,0,0,1,0|1,0,0]=3 6610 B15R1.741 CCC(C)OC(C)COc1ccccc1 7a_100000210911_100000758301 [0,1,0,0,1,0|1,0,0]=3 6611 B15R1.741 CCC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_100011215416 [0,1,0,0,1,0|0,0,0]=2 6612 B15R1.741 CCC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_100000758301 [0,1,0,0,1,0|0,0,0]=2 6613 B15R1.741 CCC(O)CN(C)CCc1ccccc1 2230a_100000207497_100011218378 [0,1,0,0,1,0|2,0,0]=4 6614 B15R1.741 CCC(O)CN(C)CCc1ccccc1 269982a_100000207497_100011218378 [0,1,0,0,1,0|2,0,0]=4 6615 B15R1.741 CC[C@H](C)CN(C)CCc1ccccc1 2230a_100000207497_100009816398 [0,1,0,0,1,0|2,0,0]=4 6616 B15R1.741 CC[C@H](C)CN(C)CCc1ccccc1 269982a_100000207497_100009816398 [0,1,0,0,1,0|2,0,0]=4 6617 B15R1.1208 CC(CCCCl)OCc1ccccc1Br 34a_200000718107_100000184730 [0,1,0,0,1,0|2,0,0]=4 6618 B15R1.1208 CC(CCCCl)OCc1ccccc1Br 7a_200000718107_100000184730 [0,1,0,0,1,0|2,0,0]=4 6619 B15R1.1208 CC(CCCCl)OCc1ccccc1Cl 34a_200000718107_100000187162 [0,1,0,0,1,0|2,0,0]=4 6620 B15R1.1208 CC(CCCCl)OCc1ccccc1Cl 7a_200000718107_100000187162 [0,1,0,0,1,0|2,0,0]=4 6621 B15R1.1208 CC(CCCCl)OCc1ccccc1F 34a_200000718107_100000211605 [0,1,0,0,1,0|2,0,0]=4 6622 B15R1.1208 CC(CCCCl)OCc1ccccc1F 7a_200000718107_100000211605 [0,1,0,0,1,0|2,0,0]=4 6623 B15R1.1208 CC(CCCCl)OCc1ccccc1I 34a_200000718107_100011215278 [0,1,0,0,1,0|2,0,0]=4 6624 B15R1.1208 CC(CCCCl)OCc1ccccc1I 7a_200000718107_100011215278 [0,1,0,0,1,0|2,0,0]=4 6625 B15R1.1208 CCC#CC(C)OCc1ccccc1Br 34a_100000033903_100000184730 [0,1,0,0,1,0|1,0,1]=4 6626 B15R1.1208 CCC#CC(C)OCc1ccccc1Br 7a_100000033903_100000184730 [0,1,0,0,1,0|1,0,1]=4 6627 B15R1.1208 CCC#CC(C)OCc1ccccc1C 34a_100000033903_100000211839 [0,1,0,0,1,0|1,0,1]=4 6628 B15R1.1208 CCC#CC(C)OCc1ccccc1C 7a_100000033903_100000211839 [0,1,0,0,1,0|1,0,1]=4 6629 B15R1.1208 CCC#CC(C)OCc1ccccc1Cl 34a_100000033903_100000187162 [0,1,0,0,1,0|1,0,1]=4 6630 B15R1.1208 CCC#CC(C)OCc1ccccc1Cl 7a_100000033903_100000187162 [0,1,0,0,1,0|1,0,1]=4 6631 B15R1.1208 CCC#CC(C)OCc1ccccc1F 34a_100000033903_100000211605 [0,1,0,0,1,0|1,0,1]=4 6632 B15R1.1208 CCC#CC(C)OCc1ccccc1F 7a_100000033903_100000211605 [0,1,0,0,1,0|1,0,1]=4 6633 B15R1.1208 CCC#CC(C)OCc1ccccc1I 34a_100000033903_100011215278 [0,1,0,0,1,0|1,0,1]=4 6634 B15R1.1208 CCC#CC(C)OCc1ccccc1I 7a_100000033903_100011215278 [0,1,0,0,1,0|1,0,1]=4 6635 B15R1.1208 CCCCC(C)NCc1ccccc1Br 207a_100000126638_100000211189 [0,1,0,0,1,0|2,0,0]=4 6636 B15R1.1208 CCCCC(C)NCc1ccccc1Br 2230a_100000126638_100000184730 [0,1,0,0,1,0|2,0,0]=4 6637 B15R1.1208 CCCCC(C)NCc1ccccc1Br 2230a_100000689332_200011215066 [0,1,0,0,1,0|2,0,0]=4 6638 B15R1.1208 CCCCC(C)NCc1ccccc1Br 270004a_100000126638_100000211189 [0,1,0,0,1,0|2,0,0]=4 6639 B15R1.1208 CCCCC(C)NCc1ccccc1Br 270004a_100000689332_100000210087 [0,1,0,0,1,0|2,0,0]=4 6640 B15R1.1208 CCCCC(C)NCc1ccccc1Br 34a_100000689332_200011215066 [0,1,0,0,1,0|2,0,0]=4 6641 B15R1.1208 CCCCC(C)NCc1ccccc1C 207a_100000126638_100000211143 [0,1,0,0,1,0|2,0,0]=4 6642 B15R1.1208 CCCCC(C)NCc1ccccc1C 2230a_100000126638_100000211839 [0,1,0,0,1,0|2,0,0]=4 6643 B15R1.1208 CCCCC(C)NCc1ccccc1C 270004a_100000126638_100000211143 [0,1,0,0,1,0|2,0,0]=4 6644 B15R1.1208 CCCCC(C)NCc1ccccc1C 270004a_100000174972_100000210087 [0,1,0,0,1,0|2,0,0]=4 6645 B15R1.1208 CCCCC(C)NCc1ccccc1C 34a_100000174972_200011215066 [0,1,0,0,1,0|2,0,0]=4 6646 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 207a_100000126638_100000210073 [0,1,0,0,1,0|2,0,0]=4 6647 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 2230a_100000126638_100000187162 [0,1,0,0,1,0|2,0,0]=4 6648 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 2230a_100000174879_200011215066 [0,1,0,0,1,0|2,0,0]=4 6649 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 270004a_100000126638_100000210073 [0,1,0,0,1,0|2,0,0]=4 6650 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 270004a_100000174879_100000210087 [0,1,0,0,1,0|2,0,0]=4 6651 B15R1.1208 CCCCC(C)NCc1ccccc1Cl 34a_100000174879_200011215066 [0,1,0,0,1,0|2,0,0]=4 6652 B15R1.1208 CCCCC(C)NCc1ccccc1F 207a_100000126638_100000210811 [0,1,0,0,1,0|2,0,0]=4 6653 B15R1.1208 CCCCC(C)NCc1ccccc1F 2230a_100000126638_100000211605 [0,1,0,0,1,0|2,0,0]=4 6654 B15R1.1208 CCCCC(C)NCc1ccccc1F 270004a_100000126638_100000210811 [0,1,0,0,1,0|2,0,0]=4 6655 B15R1.1208 CCCCC(C)NCc1ccccc1F 270004a_100000174869_100000210087 [0,1,0,0,1,0|2,0,0]=4 6656 B15R1.1208 CCCCC(C)NCc1ccccc1F 34a_100000174869_200011215066 [0,1,0,0,1,0|2,0,0]=4 6657 B15R1.1208 CCCCC(C)NCc1ccccc1I 207a_100000126638_100000010305 [0,1,0,0,1,0|2,0,0]=4 6658 B15R1.1208 CCCCC(C)NCc1ccccc1I 2230a_100000126638_100011215278 [0,1,0,0,1,0|2,0,0]=4 6659 B15R1.1208 CCCCC(C)NCc1ccccc1I 270004a_100000126638_100000010305 [0,1,0,0,1,0|2,0,0]=4 6660 B15R1.1208 CCCCC(C)NCc1ccccc1I 270004a_100015347259_100000210087 [0,1,0,0,1,0|2,0,0]=4 6661 B15R1.1208 CCCCC(C)NCc1ccccc1O 270004a_100000185550_100000210087 [0,1,0,0,1,0|2,0,0]=4 6662 B15R1.1208 CCCCC(C)NCc1ccccc1O 34a_100000185550_200011215066 [0,1,0,0,1,0|2,0,0]=4 6663 B15R1.1208 CCCCC(C)OCc1ccccc1Br 34a_100000687866_100000184730 [0,1,0,0,1,0|1,0,0]=3 6664 B15R1.1208 CCCCC(C)OCc1ccccc1Br 34a_100000756307_200011215066 [0,1,0,0,1,0|1,0,0]=3 6665 B15R1.1208 CCCCC(C)OCc1ccccc1Br 7a_100000687866_100000184730 [0,1,0,0,1,0|1,0,0]=3 6666 B15R1.1208 CCCCC(C)OCc1ccccc1Br 7a_100000756307_200011215066 [0,1,0,0,1,0|1,0,0]=3 6667 B15R1.1208 CCCCC(C)OCc1ccccc1C 34a_100000687866_100000211839 [0,1,0,0,1,0|1,0,0]=3 6668 B15R1.1208 CCCCC(C)OCc1ccccc1C 34a_100000698903_200011215066 [0,1,0,0,1,0|1,0,0]=3 6669 B15R1.1208 CCCCC(C)OCc1ccccc1C 7a_100000687866_100000211839 [0,1,0,0,1,0|1,0,0]=3 6670 B15R1.1208 CCCCC(C)OCc1ccccc1C 7a_100000698903_200011215066 [0,1,0,0,1,0|1,0,0]=3 6671 B15R1.1208 CCCCC(C)OCc1ccccc1Cl 34a_100000210847_200011215066 [0,1,0,0,1,0|1,0,0]=3 6672 B15R1.1208 CCCCC(C)OCc1ccccc1Cl 34a_100000687866_100000187162 [0,1,0,0,1,0|1,0,0]=3 6673 B15R1.1208 CCCCC(C)OCc1ccccc1Cl 7a_100000210847_200011215066 [0,1,0,0,1,0|1,0,0]=3 6674 B15R1.1208 CCCCC(C)OCc1ccccc1Cl 7a_100000687866_100000187162 [0,1,0,0,1,0|1,0,0]=3 6675 B15R1.1208 CCCCC(C)OCc1ccccc1F 34a_100000211962_200011215066 [0,1,0,0,1,0|1,0,0]=3 6676 B15R1.1208 CCCCC(C)OCc1ccccc1F 34a_100000687866_100000211605 [0,1,0,0,1,0|1,0,0]=3 6677 B15R1.1208 CCCCC(C)OCc1ccccc1F 7a_100000211962_200011215066 [0,1,0,0,1,0|1,0,0]=3 6678 B15R1.1208 CCCCC(C)OCc1ccccc1F 7a_100000687866_100000211605 [0,1,0,0,1,0|1,0,0]=3 6679 B15R1.1208 CCCCC(C)OCc1ccccc1I 34a_100000187465_200011215066 [0,1,0,0,1,0|1,0,0]=3 6680 B15R1.1208 CCCCC(C)OCc1ccccc1I 34a_100000687866_100011215278 [0,1,0,0,1,0|1,0,0]=3 6681 B15R1.1208 CCCCC(C)OCc1ccccc1I 7a_100000187465_200011215066 [0,1,0,0,1,0|1,0,0]=3 6682 B15R1.1208 CCCCC(C)OCc1ccccc1I 7a_100000687866_100011215278 [0,1,0,0,1,0|1,0,0]=3 6683 B15R1.1208 CCCCC(C)OCc1ccccc1N 34a_100000212039_200011215066 [0,1,0,0,1,0|1,0,0]=3 6684 B15R1.1208 CCCCC(C)OCc1cccnc1Br 34a_100000687866_100010140945 [0,1,0,0,1,0|2,0,0]=4 6685 B15R1.1208 CCCCC(C)OCc1cccnc1Br 34a_100000719692_200011215066 [0,1,0,0,1,0|2,0,0]=4 6686 B15R1.1208 CCCCC(C)OCc1cccnc1Br 7a_100000687866_100010140945 [0,1,0,0,1,0|2,0,0]=4 6687 B15R1.1208 CCCCC(C)OCc1cccnc1Br 7a_100000719692_200011215066 [0,1,0,0,1,0|2,0,0]=4 6688 B15R1.1208 CCCCC(C)OCc1cccnc1C 34a_100000687866_100000732876 [0,1,0,0,1,0|2,0,0]=4 6689 B15R1.1208 CCCCC(C)OCc1cccnc1C 34a_100000729262_200011215066 [0,1,0,0,1,0|2,0,0]=4 6690 B15R1.1208 CCCCC(C)OCc1cccnc1C 7a_100000687866_100000732876 [0,1,0,0,1,0|2,0,0]=4 6691 B15R1.1208 CCCCC(C)OCc1cccnc1C 7a_100000729262_200011215066 [0,1,0,0,1,0|2,0,0]=4 6692 B15R1.1208 CCCCC(C)OCc1cccnc1Cl 34a_100000687866_100000045678 [0,1,0,0,1,0|2,0,0]=4 6693 B15R1.1208 CCCCC(C)OCc1cccnc1Cl 34a_100000748726_200011215066 [0,1,0,0,1,0|2,0,0]=4 6694 B15R1.1208 CCCCC(C)OCc1cccnc1Cl 7a_100000687866_100000045678 [0,1,0,0,1,0|2,0,0]=4 6695 B15R1.1208 CCCCC(C)OCc1cccnc1Cl 7a_100000748726_200011215066 [0,1,0,0,1,0|2,0,0]=4 6696 B15R1.1208 CCCCC(C)OCc1cccnc1F 34a_100000079888_200011215066 [0,1,0,0,1,0|2,0,0]=4 6697 B15R1.1208 CCCCC(C)OCc1cccnc1F 34a_100000687866_100000099810 [0,1,0,0,1,0|2,0,0]=4 6698 B15R1.1208 CCCCC(C)OCc1cccnc1F 7a_100000079888_200011215066 [0,1,0,0,1,0|2,0,0]=4 6699 B15R1.1208 CCCCC(C)OCc1cccnc1F 7a_100000687866_100000099810 [0,1,0,0,1,0|2,0,0]=4 6700 B15R1.1208 CCCCC(C)OCc1ccncc1C 34a_100000687866_100020672809 [0,1,0,0,1,0|2,0,0]=4 6701 B15R1.1208 CCCCC(C)OCc1ccncc1C 34a_100011997032_200011215066 [0,1,0,0,1,0|2,0,0]=4 6702 B15R1.1208 CCCCC(C)OCc1ccncc1C 7a_100000687866_100020672808 [0,1,0,0,1,0|2,0,0]=4 6703 B15R1.1208 CCCCC(C)OCc1ccncc1Cl 7a_100000687866_100000763264 [0,1,0,0,1,0|2,0,0]=4 6704 B15R1.1208 CCCCC(C)OCc1ccncc1F 34a_100012172863_200011215066 [0,1,0,0,1,0|2,0,0]=4 6705 B15R1.1208 CCCCC(C)OCc1cnccc1C 34a_100000687866_100000690890 [0,1,0,0,1,0|2,0,0]=4 6706 B15R1.1208 CCCCC(C)OCc1cnccc1C 34a_100011996381_200011215066 [0,1,0,0,1,0|2,0,0]=4 6707 B15R1.1208 CCCCC(C)OCc1cnccc1C 7a_100000687866_100000690890 [0,1,0,0,1,0|2,0,0]=4 6708 B15R1.1208 CCCCC(C)OCc1cnccc1Cl 34a_100000117392_200011215066 [0,1,0,0,1,0|2,0,0]=4 6709 B15R1.1208 CCCCC(C)OCc1ncccc1Br 34a_100000687866_100025702911 [0,1,0,0,1,0|2,0,0]=4 6710 B15R1.1208 CCCCC(C)OCc1ncccc1Br 34a_100011996772_200011215066 [0,1,0,0,1,0|2,0,0]=4 6711 B15R1.1208 CCCCC(C)OCc1ncccc1Br 7a_100000687866_100025702911 [0,1,0,0,1,0|2,0,0]=4 6712 B15R1.1208 CCCCC(C)OCc1ncccc1C 34a_100000687866_100000696600 [0,1,0,0,1,0|2,0,0]=4 6713 B15R1.1208 CCCCC(C)OCc1ncccc1C 34a_100000698912_200011215066 [0,1,0,0,1,0|2,0,0]=4 6714 B15R1.1208 CCCCC(C)OCc1ncccc1C 7a_100000687866_100000696600 [0,1,0,0,1,0|2,0,0]=4 6715 B15R1.1208 CCCCC(C)OCc1ncccc1Cl 34a_100012002383_200011215066 [0,1,0,0,1,0|2,0,0]=4 6716 B15R1.1208 CCCCC(C)OCc1ncccc1Cl 7a_100000687866_100000099807 [0,1,0,0,1,0|2,0,0]=4 6717 B15R1.1208 CCCCC(C)OCc1ncccc1F 34a_100000687866_100000104219 [0,1,0,0,1,0|2,0,0]=4 6718 B15R1.1208 CCCCC(C)OCc1ncccc1F 34a_100011934865_200011215066 [0,1,0,0,1,0|2,0,0]=4 6719 B15R1.1208 CCCCC(C)OCc1ncccc1F 7a_100000687866_100000104219 [0,1,0,0,1,0|2,0,0]=4 6720 B15R1.1208 CCCCC(C)OCc1ncccc1N 34a_114873767017_200011215066 [0,1,0,0,1,0|2,0,0]=4 6721 B15R1.1208 CCCCC(C)OCc1ncccc1O 34a_100000687866_200020655725 [0,1,0,0,1,0|2,0,0]=4 6722 B15R1.1208 CCCCC(C)OCc1ncccc1O 7a_100000687866_200020655725 [0,1,0,0,1,0|2,0,0]=4 6723 B15R1.1208 CCCCC(C)SCc1ccccc1C 62a_100000211839_200011215066 [0,1,0,0,1,0|1,1,0]=4 6724 B15R1.1208 CCCCC(C)SCc1ccccc1C 62a_200011215066_100000211839 [0,1,0,0,1,0|1,1,0]=4 6725 B15R1.1208 CCCCC(C)SCc1ccccc1F 62a_100000211605_200011215066 [0,1,0,0,1,0|1,1,0]=4 6726 B15R1.1208 CCCCC(C)SCc1ccccc1F 62a_200011215066_100000211605 [0,1,0,0,1,0|1,1,0]=4 6727 B15R1.1208 CCCCN(C)CCc1ccccc1Br 2230a_100000207549_100012161201 [0,1,0,0,1,0|2,0,0]=4 6728 B15R1.1208 CCCCN(C)CCc1ccccc1Br 269982a_100000207549_100012161201 [0,1,0,0,1,0|2,0,0]=4 6729 B15R1.1208 CCCCN(C)CCc1ccccc1C 2230a_100000207549_100011713688 [0,1,0,0,1,0|2,0,0]=4 6730 B15R1.1208 CCCCN(C)CCc1ccccc1C 269982a_100000207549_100011713688 [0,1,0,0,1,0|2,0,0]=4 6731 B15R1.1208 CCCCN(C)CCc1ccccc1Cl 2230a_100000207549_100011713703 [0,1,0,0,1,0|2,0,0]=4 6732 B15R1.1208 CCCCN(C)CCc1ccccc1Cl 269982a_100000207549_100011713703 [0,1,0,0,1,0|2,0,0]=4 6733 B15R1.1208 CCCCN(C)CCc1ccccc1Cl 270004a_100000207549_200011713468 [0,1,0,0,1,0|2,0,0]=4 6734 B15R1.1208 CCCCN(C)CCc1ccccc1F 2230a_100000207549_100011713696 [0,1,0,0,1,0|2,0,0]=4 6735 B15R1.1208 CCCCN(C)CCc1ccccc1F 2230a_100000232559_100000210211 [0,1,0,0,1,0|2,0,0]=4 6736 B15R1.1208 CCCCN(C)CCc1ccccc1F 269982a_100000207549_100011713696 [0,1,0,0,1,0|2,0,0]=4 6737 B15R1.1208 CCCCN(C)CCc1ccccc1F 269982a_100000232559_100000210211 [0,1,0,0,1,0|2,0,0]=4 6738 B15R1.1208 CCCCN(C)CCc1ccccc1F 34a_100000232559_100000210210 [0,1,0,0,1,0|2,0,0]=4 6739 B15R1.1208 CCCCN(C)CCc1ccccc1O 269982a_100000207549_100000722297 [0,1,0,0,1,0|2,0,0]=4 6740 B15R1.1208 CCCNC(C)COc1ccccc1C 2230a_100000744241_100000210303 [0,1,0,0,1,0|2,0,0]=4 6741 B15R1.1208 CCCNC(C)COc1ccccc1C 34a_100000744241_100000210303 [0,1,0,0,1,0|2,0,0]=4 6742 B15R1.1208 CCCOC(C)CNc1ccncc1Br 27a_100015185124_100000726257 [0,1,0,0,1,0|2,0,0]=4 6743 B15R1.1208 CCCOC(C)CNc1ccncc1C 27a_100015185124_100000765111 [0,1,0,0,1,0|2,0,0]=4 6744 B15R1.1208 CCCOC(C)CNc1ccncc1F 27a_100015185124_100000035921 [0,1,0,0,1,0|2,0,0]=4 6745 B15R1.1208 CCCOC(C)CNc1ncccc1Br 27a_100015185124_100000696092 [0,1,0,0,1,0|2,0,0]=4 6746 B15R1.1208 CCCOC(C)COc1ccccc1C 34a_200011217337_100000210303 [0,1,0,0,1,0|1,0,0]=3 6747 B15R1.1208 CCCOC(C)COc1ccccc1C 7a_200011217337_100000210303 [0,1,0,0,1,0|1,0,0]=3 6748 B15R1.1208 CCOCC(C)OCc1ccccc1Br 34a_100000718985_100000184730 [0,1,0,0,1,0|2,0,0]=4 6749 B15R1.1208 CCOCC(C)OCc1ccccc1Br 7a_100000718985_100000184730 [0,1,0,0,1,0|2,0,0]=4 6750 B15R1.1208 CCOCC(C)OCc1ccccc1C 34a_100000718985_100000211839 [0,1,0,0,1,0|2,0,0]=4 6751 B15R1.1208 CCOCC(C)OCc1ccccc1C 7a_100000718985_100000211839 [0,1,0,0,1,0|2,0,0]=4 6752 B15R1.1208 CCOCC(C)OCc1ccccc1Cl 34a_100000718985_100000187162 [0,1,0,0,1,0|2,0,0]=4 6753 B15R1.1208 CCOCC(C)OCc1ccccc1Cl 7a_100000718985_100000187162 [0,1,0,0,1,0|2,0,0]=4 6754 B15R1.1208 CCOCC(C)OCc1ccccc1F 34a_100000718985_100000211605 [0,1,0,0,1,0|2,0,0]=4 6755 B15R1.1208 CCOCC(C)OCc1ccccc1F 7a_100000718985_100000211605 [0,1,0,0,1,0|2,0,0]=4 6756 B15R1.1208 CCOCC(C)OCc1ccccc1I 34a_100000718985_100011215278 [0,1,0,0,1,0|2,0,0]=4 6757 B15R1.1208 CCOCC(C)OCc1ccccc1I 7a_100000718985_100011215278 [0,1,0,0,1,0|2,0,0]=4 6758 B15R1.1208 CSCOC(C)COc1ccccc1C 34a_200011217337_100011218213 [0,1,0,0,1,0|2,0,0]=4 6759 B15R1.1208 Cc1ccccc1COC(C)CCCCl 34a_200000718107_100000211839 [0,1,0,0,1,0|2,0,0]=4 6760 B15R1.1208 Cc1ccccc1COC(C)CCCCl 7a_200000718107_100000211839 [0,1,0,0,1,0|2,0,0]=4 6761 B15R1.1208 Cc1ccccc1OCC(C)OCCF 34a_200011217337_100011217306 [0,1,0,0,1,0|2,0,0]=4 6762 B15R1.1208 Cc1ccccc1OCC(C)OCCF 7a_200011217337_100011217306 [0,1,0,0,1,0|2,0,0]=4 6763 B15R1.1208 Cc1ccccc1OCC(C)OCCO 34a_200011217337_100000211926 [0,1,0,0,1,0|2,0,0]=4 6764 B15R1.1208 Cc1ccccc1OCC(C)OCCO 7a_200011217337_100000211926 [0,1,0,0,1,0|2,0,0]=4 6765 B15R1.3921 C#CC(CCCC)OCc1ccccc1 34a_200011217967_100015291786 [0,1,0,0,1,0|1,0,1]=4 6766 B15R1.3921 C#CC(CCCC)OCc1ccccc1 7a_200011217967_100000211182 [0,1,0,0,1,0|1,0,1]=4 6767 B15R1.3921 C=CC(CCCC)OCc1ccccc1 34a_200011215037_100015291786 [0,1,0,0,1,0|1,0,1]=4 6768 B15R1.3921 C=CC(CCCC)OCc1ccccc1 7a_200011215037_100000211182 [0,1,0,0,1,0|1,0,1]=4 6769 B15R1.3921 CCC(CCc1ccccc1)NCCO 270004a_100000210304_100011279265 [0,1,0,0,1,0|2,0,0]=4 6770 B15R1.3921 CCCCC(CC)CNc1ccccc1 34a_100000106764_100000211942 [0,1,0,0,1,0|2,0,0]=4 6771 B15R1.3921 CCCCC(CC)COc1ccccc1 34a_100000210340_100000211942 [0,1,0,0,1,0|2,0,0]=4 6772 B15R1.3921 CCCCC(CC)COc1ccccc1 7a_100000210340_100000211942 [0,1,0,0,1,0|2,0,0]=4 6773 B15R1.3921 CCCCC(CC)NCc1ccccc1 270004a_100015324214_100000753412 [0,1,0,0,1,0|2,0,0]=4 6774 B15R1.3921 CCCCC(CC)NCc1ccccc1 34a_100015324214_200011216223 [0,1,0,0,1,0|2,0,0]=4 6775 B15R1.3921 CCCCC(CC)OCc1ccccc1 34a_100000210790_200011216223 [0,1,0,0,1,0|1,0,0]=3 6776 B15R1.3921 CCCCC(CC)OCc1ccccc1 34a_100011215227_100015291786 [0,1,0,0,1,0|1,0,0]=3 6777 B15R1.3921 CCCCC(CC)OCc1ccccc1 7a_100000210790_200011216223 [0,1,0,0,1,0|1,0,0]=3 6778 B15R1.3921 CCCCC(CC)OCc1ccccc1 7a_100011215227_100000211182 [0,1,0,0,1,0|1,0,0]=3 6779 B15R1.3921 CCCCC(CC)OCc1ccccn1 34a_100011215227_100000721315 [0,1,0,0,1,0|2,0,0]=4 6780 B15R1.3921 CCCCC(CC)OCc1ccccn1 7a_100011215227_100000721315 [0,1,0,0,1,0|2,0,0]=4 6781 B15R1.3921 CCCCC(CC)OCc1cccnc1 34a_100011215227_100000733263 [0,1,0,0,1,0|2,0,0]=4 6782 B15R1.3921 CCCCC(CC)OCc1cccnc1 7a_100011215227_100000741622 [0,1,0,0,1,0|2,0,0]=4 6783 B15R1.3921 CCCCC(CC)OCc1ccncc1 7a_100011215227_100015193705 [0,1,0,0,1,0|2,0,0]=4 6784 B15R1.3921 CCCCC(CC)SCc1ccccc1 62a_100000211182_200011216223 [0,1,0,0,1,0|1,1,0]=4 6785 B15R1.3921 CCCCC(CC)SCc1ccccc1 62a_200011216223_100015291786 [0,1,0,0,1,0|1,1,0]=4 6786 B15R1.3921 CCCCN(CC)CCc1ccccc1 2230a_100000207695_100000765856 [0,1,0,0,1,0|2,0,0]=4 6787 B15R1.3921 CCCCN(CC)CCc1ccccc1 2230a_100000741020_100000210211 [0,1,0,0,1,0|2,0,0]=4 6788 B15R1.3921 CCCCN(CC)CCc1ccccc1 269982a_100000207695_100000765856 [0,1,0,0,1,0|2,0,0]=4 6789 B15R1.3921 CCCCN(CC)CCc1ccccc1 269982a_100000741020_100000210211 [0,1,0,0,1,0|2,0,0]=4 6790 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 207a_100011934283_100015611070 [0,1,0,0,1,0|2,0,0]=4 6791 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 2230a_100011934283_100015291786 [0,1,0,0,1,0|2,0,0]=4 6792 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 270004a_100011934283_100015611070 [0,1,0,0,1,0|2,0,0]=4 6793 B15R1.3921 CCCC[C@@H](CO)NCc1ccccc1 34a_100011934283_100015291786 [0,1,0,0,1,0|2,0,0]=4 6794 B15R1.3921 CCCNC(CC)CCc1ccccc1 270004a_100020643023_100011279265 [0,1,0,0,1,0|1,0,0]=3 6795 B15R1.3921 CCCOC(C#Cc1ccccc1)CC 34a_200000065154_100000210303 [0,1,0,0,1,0|0,0,2]=4 6796 B15R1.3921 CCCOC(C#Cc1ccccc1)CC 7a_200000065154_100000210303 [0,1,0,0,1,0|0,0,2]=4 6797 B15R1.3921 CCCOC(CN)COc1ccccc1 34a_100000738913_100000210303 [0,1,0,0,1,0|1,0,0]=3 6798 B15R1.3921 CCOCC(CN)OCc1ccccc1 34a_102515437182_100015291786 [0,1,0,0,1,0|2,0,0]=4 6799 B15R1.3921 CSCOC(CN)COc1ccccc1 34a_100000738913_100011218213 [0,1,0,0,1,0|2,0,0]=4 6800 B15R1.3921 NCC(COc1ccccc1)OCCF 34a_100000738913_100011217306 [0,1,0,0,1,0|2,0,0]=4 6801 B15R1.3921 NCC(COc1ccccc1)OCCO 34a_100000738913_100000211926 [0,1,0,0,1,0|2,0,0]=4 6802 B15R1.5919 C=C(C)CNC(C)CCc1ccccc1 2230a_100000210798_100000748629 [0,1,0,0,1,0|1,0,1]=4 6803 B15R1.5919 C=C(C)CNC(C)CCc1ccccc1 34a_100000210798_100000748629 [0,1,0,0,1,0|1,0,1]=4 6804 B15R1.5919 C=C(C)COC(C)COc1ccccc1 34a_100000210911_100000748629 [0,1,0,0,1,0|1,0,1]=4 6805 B15R1.5919 C=C(C)COC(C)COc1ccccc1 7a_100000210911_100000748629 [0,1,0,0,1,0|1,0,1]=4 6806 B15R1.5919 C=C(C)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000748629 [0,1,0,0,1,0|0,0,1]=3 6807 B15R1.5919 C=C(C)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000748629 [0,1,0,0,1,0|0,0,1]=3 6808 B15R1.5919 C=C(F)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100009893438 [0,1,0,0,1,0|0,0,2]=4 6809 B15R1.5919 C=C(F)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000042424 [0,1,0,0,1,0|0,0,2]=4 6810 B15R1.5919 CC(C#Cc1ccccc1)OC[C@@H](C)O 34a_200000065209_100009817552 [0,1,0,0,1,0|0,0,2]=4 6811 B15R1.5919 CC(C#Cc1ccccc1)OC[C@@H](C)O 7a_200000065209_100009817552 [0,1,0,0,1,0|0,0,2]=4 6812 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 207a_100138410893_100015611070 [0,1,0,0,1,0|2,0,0]=4 6813 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 2230a_100015324214_100011261404 [0,1,0,0,1,0|2,0,0]=4 6814 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 2230a_100138410893_100015291786 [0,1,0,0,1,0|2,0,0]=4 6815 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 270004a_100015324214_100000210476 [0,1,0,0,1,0|2,0,0]=4 6816 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 270004a_100138410893_100015611070 [0,1,0,0,1,0|2,0,0]=4 6817 B15R1.5919 CC(C)CCC(C)NCc1ccccc1 34a_100015324214_100011261404 [0,1,0,0,1,0|2,0,0]=4 6818 B15R1.5919 CC(C)CCC(C)OCc1ccccc1 34a_100000210790_100011261404 [0,1,0,0,1,0|1,0,0]=3 6819 B15R1.5919 CC(C)CCC(C)OCc1ccccc1 34a_100011215350_100015291786 [0,1,0,0,1,0|1,0,0]=3 6820 B15R1.5919 CC(C)CCC(C)OCc1ccccc1 7a_100011215350_100000211182 [0,1,0,0,1,0|1,0,0]=3 6821 B15R1.5919 CC(C)CCC(C)OCc1ccccn1 34a_100011215350_100000721315 [0,1,0,0,1,0|2,0,0]=4 6822 B15R1.5919 CC(C)CCC(C)OCc1ccccn1 7a_100011215350_100000721315 [0,1,0,0,1,0|2,0,0]=4 6823 B15R1.5919 CC(C)CCC(C)OCc1cccnc1 34a_100011215350_100000733263 [0,1,0,0,1,0|2,0,0]=4 6824 B15R1.5919 CC(C)CCC(C)OCc1cccnc1 7a_100011215350_100000741622 [0,1,0,0,1,0|2,0,0]=4 6825 B15R1.5919 CC(C)CCC(C)OCc1ccncc1 7a_100011215350_100015193705 [0,1,0,0,1,0|2,0,0]=4 6826 B15R1.5919 CC(C)CCC(C)SCc1ccccc1 62a_100000211182_100011261404 [0,1,0,0,1,0|1,1,0]=4 6827 B15R1.5919 CC(C)CCC(C)SCc1ccccc1 62a_100011261404_100015291786 [0,1,0,0,1,0|1,1,0]=4 6828 B15R1.5919 CC(C)CCN(C)CCc1ccccc1 2230a_100000207497_100000210312 [0,1,0,0,1,0|2,0,0]=4 6829 B15R1.5919 CC(C)CCN(C)CCc1ccccc1 2230a_100000742789_100000765856 [0,1,0,0,1,0|2,0,0]=4 6830 B15R1.5919 CC(C)CCN(C)CCc1ccccc1 269982a_100000207497_100000210312 [0,1,0,0,1,0|2,0,0]=4 6831 B15R1.5919 CC(C)CCN(C)CCc1ccccc1 269982a_100000742789_100000765856 [0,1,0,0,1,0|2,0,0]=4 6832 B15R1.5919 CC(C)CNC(C)CCc1ccccc1 2230a_100000210798_100000210760 [0,1,0,0,1,0|1,0,0]=3 6833 B15R1.5919 CC(C)CNC(C)CCc1ccccc1 270004a_100000210798_100000210432 [0,1,0,0,1,0|1,0,0]=3 6834 B15R1.5919 CC(C)CNC(C)CCc1ccccc1 270004a_100000210953_100000210092 [0,1,0,0,1,0|1,0,0]=3 6835 B15R1.5919 CC(C)CNC(C)CCc1ccccc1 34a_100000210798_100000210624 [0,1,0,0,1,0|1,0,0]=3 6836 B15R1.5919 CC(C)CNC(C)COc1ccccc1 2230a_100000746794_100000210760 [0,1,0,0,1,0|2,0,0]=4 6837 B15R1.5919 CC(C)CNC(C)COc1ccccc1 270004a_100000210953_100000150576 [0,1,0,0,1,0|2,0,0]=4 6838 B15R1.5919 CC(C)CNC(C)COc1ccccc1 270004a_100000746794_100000210432 [0,1,0,0,1,0|2,0,0]=4 6839 B15R1.5919 CC(C)CNC(C)COc1ccccc1 34a_100000746794_100000210624 [0,1,0,0,1,0|2,0,0]=4 6840 B15R1.5919 CC(C)CNC(C)CSc1ccccc1 270004a_100000210953_100000150717 [0,1,0,0,1,0|2,0,0]=4 6841 B15R1.5919 CC(C)COC(C)C#Cc1ccccc1 34a_200000065209_100000210624 [0,1,0,0,1,0|0,0,2]=4 6842 B15R1.5919 CC(C)COC(C)C#Cc1ccccc1 7a_200000065209_100000210760 [0,1,0,0,1,0|0,0,2]=4 6843 B15R1.5919 CC(C)COC(C)COc1ccccc1 34a_100000210911_100000210624 [0,1,0,0,1,0|1,0,0]=3 6844 B15R1.5919 CC(C)COC(C)COc1ccccc1 7a_100000210911_100000210760 [0,1,0,0,1,0|1,0,0]=3 6845 B15R1.5919 CC(C)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210624 [0,1,0,0,1,0|0,0,0]=2 6846 B15R1.5919 CC(C)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210760 [0,1,0,0,1,0|0,0,0]=2 6847 B15R1.5919 CC(CCc1ccccc1)NCC(F)F 2230a_100000210798_100011934356 [0,1,0,0,1,0|2,0,0]=4 6848 B15R1.5919 CC(CCc1ccccc1)NCC(F)F 270004a_100000765723_100000210092 [0,1,0,0,1,0|2,0,0]=4 6849 B15R1.5919 CC(CCc1ccccc1)NCC(F)F 34a_100000210798_100011934356 [0,1,0,0,1,0|2,0,0]=4 6850 B15R1.5919 CC(CCc1ccccc1)NC[C@@H](C)O 2230a_100000210798_100009817552 [0,1,0,0,1,0|1,0,0]=3 6851 B15R1.5919 CC(CCc1ccccc1)NC[C@@H](C)O 34a_100000210798_100009817552 [0,1,0,0,1,0|1,0,0]=3 6852 B15R1.5919 CC(COc1ccccc1)NC[C@@H](C)O 2230a_100000746794_100009817552 [0,1,0,0,1,0|2,0,0]=4 6853 B15R1.5919 CC(COc1ccccc1)NC[C@@H](C)O 34a_100000746794_100009817552 [0,1,0,0,1,0|2,0,0]=4 6854 B15R1.5919 CC(COc1ccccc1)OCC(F)F 34a_100000210911_100011934356 [0,1,0,0,1,0|2,0,0]=4 6855 B15R1.5919 CC(COc1ccccc1)OCC(F)F 7a_100000210911_100011934356 [0,1,0,0,1,0|2,0,0]=4 6856 B15R1.5919 CC(COc1ccccc1)OC[C@@H](C)O 34a_100000210911_100009817552 [0,1,0,0,1,0|1,0,0]=3 6857 B15R1.5919 CC(COc1ccccc1)OC[C@@H](C)O 7a_100000210911_100009817552 [0,1,0,0,1,0|1,0,0]=3 6858 B15R1.5919 CC(O)CCN(C)CCc1ccccc1 2230a_100000207497_100012276601 [0,1,0,0,1,0|2,0,0]=4 6859 B15R1.5919 CC(O)CCN(C)CCc1ccccc1 269982a_100000207497_100012276601 [0,1,0,0,1,0|2,0,0]=4 6860 B15R1.5919 CC(O)CNC(C)CCc1ccccc1 2230a_100000210798_100011218427 [0,1,0,0,1,0|1,0,0]=3 6861 B15R1.5919 CC(O)CNC(C)CCc1ccccc1 270004a_100000210904_100000210092 [0,1,0,0,1,0|1,0,0]=3 6862 B15R1.5919 CC(O)CNC(C)CCc1ccccc1 34a_100000210798_100011218427 [0,1,0,0,1,0|1,0,0]=3 6863 B15R1.5919 CC(O)CNC(C)COc1ccccc1 2230a_100000746794_100011218427 [0,1,0,0,1,0|2,0,0]=4 6864 B15R1.5919 CC(O)CNC(C)COc1ccccc1 270004a_100000210904_100000150576 [0,1,0,0,1,0|2,0,0]=4 6865 B15R1.5919 CC(O)CNC(C)COc1ccccc1 34a_100000746794_100011218427 [0,1,0,0,1,0|2,0,0]=4 6866 B15R1.5919 CC(O)CNC(C)CSc1ccccc1 270004a_100000210904_100000150717 [0,1,0,0,1,0|2,0,0]=4 6867 B15R1.5919 CC(O)COC(C)C#Cc1ccccc1 34a_200000065209_100011218427 [0,1,0,0,1,0|0,0,2]=4 6868 B15R1.5919 CC(O)COC(C)C#Cc1ccccc1 7a_200000065209_100011218427 [0,1,0,0,1,0|0,0,2]=4 6869 B15R1.5919 CC(O)COC(C)COc1ccccc1 34a_100000210911_100011218427 [0,1,0,0,1,0|1,0,0]=3 6870 B15R1.5919 CC(O)COC(C)COc1ccccc1 7a_100000210911_100011218427 [0,1,0,0,1,0|1,0,0]=3 6871 B15R1.5919 CC(O)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100011218427 [0,1,0,0,1,0|0,0,0]=2 6872 B15R1.5919 CC(O)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100011218427 [0,1,0,0,1,0|0,0,0]=2 6873 B15R1.5919 C[C@@H](CCc1ccccc1)OCC(=O)N 34a_100009815974_100000187820 [0,1,0,0,1,0|1,0,1]=4 6874 B15R1.5919 C[C@@H](CCc1ccccc1)OCC(=O)N 7a_100009815974_100000187820 [0,1,0,0,1,0|1,0,1]=4 6875 B15R1.5919 C[C@@H](CCc1ccccc1)OCC(=O)[O-] 34a_100009815974_100020667443 [0,1,0,0,1,0|1,0,1]=4 6876 B15R1.5919 C[C@@H](CCc1ccccc1)OCC(F)F 34a_100009815974_100011934356 [0,1,0,0,1,0|1,0,0]=3 6877 B15R1.5919 C[C@@H](CCc1ccccc1)OCC(F)F 7a_100009815974_100011934356 [0,1,0,0,1,0|1,0,0]=3 6878 B15R1.5919 C[C@@H](CCc1ccccc1)OC[N+](=O)[O-] 34a_100009815974_100000761209 [0,1,0,0,1,0|2,0,0]=4 6879 B15R1.5919 C[C@@H](O)CO[C@@H](C)CCc1ccccc1 34a_100009815974_100009817552 [0,1,0,0,1,0|0,0,0]=2 6880 B15R1.5919 C[C@@H](O)CO[C@@H](C)CCc1ccccc1 7a_100009815974_100009817552 [0,1,0,0,1,0|0,0,0]=2 6881 B15R1.5934 C#CCOC(C)(C)CCc1ccccc1 7a_100000750528_100000038162 [0,1,0,0,1,0|0,0,2]=4 6882 B15R1.5934 C=CCOC(C)(C)CCc1ccccc1 7a_100000750528_100015514636 [0,1,0,0,1,0|0,0,2]=4 6883 B15R1.5934 CC(C)(CCCBr)OCc1ccccc1 7a_100009888830_100000211182 [0,1,0,0,1,0|2,0,0]=4 6884 B15R1.5934 CC(C)(CCc1ccccc1)OCC#N 7a_100000750528_100011215382 [0,1,0,0,1,0|1,0,1]=4 6885 B15R1.5934 CC(C)(CCc1ccccc1)OCC=O 7a_100000750528_200015260668 [0,1,0,0,1,0|1,0,1]=4 6886 B15R1.5934 CC(C)(CCc1ccccc1)OCCF 7a_100000750528_100011217306 [0,1,0,0,1,0|1,0,0]=3 6887 B15R1.5934 CC(C)(CCc1ccccc1)OCCO 7a_100000750528_100000211926 [0,1,0,0,1,0|1,0,0]=3 6888 B15R1.5934 CCCCC(C)(C)OCc1ccccc1 7a_100011219641_100000211182 [0,1,0,0,1,0|1,0,0]=3 6889 B15R1.5934 CCCCC(C)(C)OCc1ccccn1 7a_100011219641_100000721315 [0,1,0,0,1,0|2,0,0]=4 6890 B15R1.5934 CCCCC(C)(C)OCc1cccnc1 7a_100011219641_100000741622 [0,1,0,0,1,0|2,0,0]=4 6891 B15R1.5934 CCCCC(C)(C)OCc1ccncc1 7a_100011219641_100015193705 [0,1,0,0,1,0|2,0,0]=4 6892 B15R1.5934 CCCOC(C)(C)C#Cc1ccccc1 34a_100011204173_100000210303 [0,1,0,0,1,0|0,0,2]=4 6893 B15R1.5934 CCCOC(C)(C)C#Cc1ccccc1 7a_100011204173_100000210303 [0,1,0,0,1,0|0,0,2]=4 6894 B15R1.5934 CCCOC(C)(C)CCc1ccccc1 7a_100000750528_100000210303 [0,1,0,0,1,0|0,0,0]=2 6895 B15R1.5934 CCOCC(C)(C)OCc1ccccc1 7a_100000062273_100000210202 [0,1,0,0,1,0|2,0,0]=4 6896 B15R1.156 CCCCC(C)OCCc1ccc(o1)C 34a_100012161071_200011215066 [0,1,0,0,1,0|2,0,0]=4 6897 B15R1.156 CCCCC(C)OCCc1ccc(o1)C 7a_100012161071_200011215066 [0,1,0,0,1,0|2,0,0]=4 6898 B15R1.593 CCCCC(C)OCC(N)c1cccs1 34a_100102422791_200011215066 [0,1,0,0,1,0|2,0,0]=4 6899 B15R1.1237 CCCCC(C)OC(C)Cc1ccco1 34a_100011803939_200011215066 [0,1,0,0,1,0|2,0,0]=4 6900 B15R1.1237 CCCCC(C)OC(C)Cc1ccco1 7a_100011803939_200011215066 [0,1,0,0,1,0|2,0,0]=4 6901 B15R1.1376 CCCCCC(C)OCCc1cccs1 34a_100011215632_100000748579 [0,1,0,0,1,0|2,0,0]=4 6902 B15R1.1376 CCCCCC(C)OCCc1cccs1 34a_100011216825_200011218191 [0,1,0,0,1,0|2,0,0]=4 6903 B15R1.1376 CCCCCC(C)OCCc1cccs1 7a_100011215632_100000748579 [0,1,0,0,1,0|2,0,0]=4 6904 B15R1.1376 CCCCCC(C)OCCc1cccs1 7a_100011216825_200011218191 [0,1,0,0,1,0|2,0,0]=4 6905 B15R1.1376 CCCCCC(C)OCCc1ccsc1 34a_100000748821_200011218191 [0,1,0,0,1,0|2,0,0]=4 6906 B15R1.1376 CCCCCC(C)OCCn1cccc1 34a_100000179382_200011218191 [0,1,0,0,1,0|2,0,0]=4 6907 B15R1.1376 CCCCCC(C)OCCn1cccc1 7a_100011215632_200000035178 [0,1,0,0,1,0|2,0,0]=4 6908 B15R1.1376 COCCCC(C)OCCc1cccs1 34a_200011539412_100000748579 [0,1,0,0,1,0|2,0,0]=4 6909 B15R1.1376 COCCCC(C)OCCc1cccs1 7a_200011539412_100000748579 [0,1,0,0,1,0|2,0,0]=4 6910 B15R1.1376 COCCCC(C)OCCn1cccc1 7a_200011539412_200000035178 [0,1,0,0,1,0|2,0,0]=4 6911 B15R1.3919 CCCCC(CC)OCCc1cccs1 34a_100011215227_100000748579 [0,1,0,0,1,0|2,0,0]=4 6912 B15R1.3919 CCCCC(CC)OCCc1cccs1 34a_100011216825_200011216223 [0,1,0,0,1,0|2,0,0]=4 6913 B15R1.3919 CCCCC(CC)OCCc1cccs1 7a_100011215227_100000748579 [0,1,0,0,1,0|2,0,0]=4 6914 B15R1.3919 CCCCC(CC)OCCc1cccs1 7a_100011216825_200011216223 [0,1,0,0,1,0|2,0,0]=4 6915 B15R1.3919 CCCCC(CC)OCCc1ccsc1 34a_100000748821_200011216223 [0,1,0,0,1,0|2,0,0]=4 6916 B15R1.3919 CCCCC(CC)OCCn1cccc1 34a_100000179382_200011216223 [0,1,0,0,1,0|2,0,0]=4 6917 B15R1.3919 CCCCC(CC)OCCn1cccc1 7a_100011215227_200000035178 [0,1,0,0,1,0|2,0,0]=4 6918 B15R1.9921 CCCC(C)C(C)OCCc1cccs1 34a_100000708338_100000748579 [0,1,0,0,1,0|2,0,0]=4 6919 B15R1.9921 CCCC(C)C(C)OCCc1cccs1 7a_100000708338_100000748579 [0,1,0,0,1,0|2,0,0]=4 6920 B15R1.9921 CCCC(C)C(C)OCCn1cccc1 7a_100000708338_200000035178 [0,1,0,0,1,0|2,0,0]=4 6921 B15R1.12056 CCCCC(C)(C)OCCc1cccs1 7a_100011219641_100000748579 [0,1,0,0,1,0|2,0,0]=4 6922 B15R1.12056 CCCCC(C)(C)OCCn1cccc1 7a_100011219641_200000035178 [0,1,0,0,1,0|2,0,0]=4 6923 B15R1.12292 CC(C)CCC(C)OCCc1cccs1 34a_100011215350_100000748579 [0,1,0,0,1,0|2,0,0]=4 6924 B15R1.12292 CC(C)CCC(C)OCCc1cccs1 34a_100011216825_100011261404 [0,1,0,0,1,0|2,0,0]=4 6925 B15R1.12292 CC(C)CCC(C)OCCc1cccs1 7a_100011215350_100000748579 [0,1,0,0,1,0|2,0,0]=4 6926 B15R1.12292 CC(C)CCC(C)OCCc1ccsc1 34a_100000748821_100011261404 [0,1,0,0,1,0|2,0,0]=4 6927 B15R1.12292 CC(C)CCC(C)OCCn1cccc1 34a_100000179382_100011261404 [0,1,0,0,1,0|2,0,0]=4 6928 B15R1.12292 CC(C)CCC(C)OCCn1cccc1 7a_100011215350_200000035178 [0,1,0,0,1,0|2,0,0]=4 6929 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)Br 34a_200000093152_100011740612 [0,1,0,0,0,1|0,0,2]=4 6930 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)Br 7a_200000093152_100011740612 [0,1,0,0,0,1|0,0,2]=4 6931 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)C 34a_200000093152_100011713686 [0,1,0,0,0,1|0,0,2]=4 6932 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)C 7a_200000093152_100011713686 [0,1,0,0,0,1|0,0,2]=4 6933 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)Cl 34a_200000093152_100011713675 [0,1,0,0,0,1|0,0,2]=4 6934 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)Cl 7a_200000093152_100011713675 [0,1,0,0,0,1|0,0,2]=4 6935 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)F 34a_200000093152_100011217392 [0,1,0,0,0,1|0,0,2]=4 6936 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)F 7a_200000093152_100011217392 [0,1,0,0,0,1|0,0,2]=4 6937 B17R1.13 C#CCOC(C)COCCc1ccc(cc1)O 7a_200000093152_100009816426 [0,1,0,0,0,1|0,0,2]=4 6938 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)Br 34a_200000718107_100011713682 [0,1,0,0,0,1|2,0,0]=4 6939 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)Br 7a_200000718107_100011713682 [0,1,0,0,0,1|2,0,0]=4 6940 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)Cl 34a_200000718107_100000759440 [0,1,0,0,0,1|2,0,0]=4 6941 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)Cl 7a_200000718107_100000759440 [0,1,0,0,0,1|2,0,0]=4 6942 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)F 34a_200000718107_200011713563 [0,1,0,0,0,1|2,0,0]=4 6943 B17R1.13 CC(CCCCl)OCCCc1ccc(cc1)F 7a_200000718107_200011713563 [0,1,0,0,0,1|2,0,0]=4 6944 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)Br 34a_200000718107_100000183278 [0,1,0,0,0,1|2,0,0]=4 6945 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)Br 7a_200000718107_100000183278 [0,1,0,0,0,1|2,0,0]=4 6946 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)Cl 34a_200000718107_100000184122 [0,1,0,0,0,1|2,0,0]=4 6947 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)Cl 7a_200000718107_100000184122 [0,1,0,0,0,1|2,0,0]=4 6948 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)F 34a_200000718107_100000184936 [0,1,0,0,0,1|2,0,0]=4 6949 B17R1.13 CC(CCCCl)OCCOc1ccc(cc1)F 7a_200000718107_100000184936 [0,1,0,0,0,1|2,0,0]=4 6950 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)Br 34a_100000033903_100011713682 [0,1,0,0,0,1|1,0,1]=4 6951 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)Br 7a_100000033903_100011713682 [0,1,0,0,0,1|1,0,1]=4 6952 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)Cl 34a_100000033903_100000759440 [0,1,0,0,0,1|1,0,1]=4 6953 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)Cl 7a_100000033903_100000759440 [0,1,0,0,0,1|1,0,1]=4 6954 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)F 34a_100000033903_200011713563 [0,1,0,0,0,1|1,0,1]=4 6955 B17R1.13 CCC#CC(C)OCCCc1ccc(cc1)F 7a_100000033903_200011713563 [0,1,0,0,0,1|1,0,1]=4 6956 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)Br 34a_100000033903_100000183278 [0,1,0,0,0,1|1,0,1]=4 6957 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)Br 7a_100000033903_100000183278 [0,1,0,0,0,1|1,0,1]=4 6958 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)C 34a_100000033903_100000183172 [0,1,0,0,0,1|1,0,1]=4 6959 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)C 7a_100000033903_100000183172 [0,1,0,0,0,1|1,0,1]=4 6960 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)Cl 34a_100000033903_100000184122 [0,1,0,0,0,1|1,0,1]=4 6961 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)Cl 7a_100000033903_100000184122 [0,1,0,0,0,1|1,0,1]=4 6962 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)F 34a_100000033903_100000184936 [0,1,0,0,0,1|1,0,1]=4 6963 B17R1.13 CCC#CC(C)OCCOc1ccc(cc1)F 7a_100000033903_100000184936 [0,1,0,0,0,1|1,0,1]=4 6964 B17R1.13 CCCCC(C)COCCc1ccc(cc1)Br 34a_100011995851_100011740612 [0,1,0,0,0,1|1,0,0]=3 6965 B17R1.13 CCCCC(C)COCCc1ccc(cc1)Br 7a_100011995851_100011740612 [0,1,0,0,0,1|1,0,0]=3 6966 B17R1.13 CCCCC(C)COCCc1ccc(cc1)C 34a_100011995851_100011713686 [0,1,0,0,0,1|1,0,0]=3 6967 B17R1.13 CCCCC(C)COCCc1ccc(cc1)C 7a_100011995851_100011713686 [0,1,0,0,0,1|1,0,0]=3 6968 B17R1.13 CCCCC(C)COCCc1ccc(cc1)Cl 34a_100011995851_100011713675 [0,1,0,0,0,1|1,0,0]=3 6969 B17R1.13 CCCCC(C)COCCc1ccc(cc1)Cl 7a_100011995851_100011713675 [0,1,0,0,0,1|1,0,0]=3 6970 B17R1.13 CCCCC(C)COCCc1ccc(cc1)F 34a_100011995851_100011217392 [0,1,0,0,0,1|1,0,0]=3 6971 B17R1.13 CCCCC(C)COCCc1ccc(cc1)F 7a_100011995851_100011217392 [0,1,0,0,0,1|1,0,0]=3 6972 B17R1.13 CCCCC(C)COCCc1ccc(cc1)O 7a_100011995851_100009816426 [0,1,0,0,0,1|1,0,0]=3 6973 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Br 2230a_100000126638_100011713682 [0,1,0,0,0,1|2,0,0]=4 6974 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Br 2230a_100011297623_200011215066 [0,1,0,0,0,1|2,0,0]=4 6975 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Br 270004a_100011297623_100000210087 [0,1,0,0,0,1|2,0,0]=4 6976 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Br 34a_100011297623_200011215066 [0,1,0,0,0,1|2,0,0]=4 6977 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)C 2230a_100011236272_200011215066 [0,1,0,0,0,1|2,0,0]=4 6978 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)C 270004a_100011236272_100000210087 [0,1,0,0,0,1|2,0,0]=4 6979 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)C 34a_100011236272_200011215066 [0,1,0,0,0,1|2,0,0]=4 6980 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Cl 2230a_100000126638_100000759440 [0,1,0,0,0,1|2,0,0]=4 6981 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Cl 2230a_100000748451_200011215066 [0,1,0,0,0,1|2,0,0]=4 6982 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Cl 270004a_100000748451_100000210087 [0,1,0,0,0,1|2,0,0]=4 6983 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)Cl 34a_100000748451_200011215066 [0,1,0,0,0,1|2,0,0]=4 6984 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)F 2230a_100000126638_200011713563 [0,1,0,0,0,1|2,0,0]=4 6985 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)F 2230a_100025745824_200011215066 [0,1,0,0,0,1|2,0,0]=4 6986 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)F 270004a_100025745824_100000210087 [0,1,0,0,0,1|2,0,0]=4 6987 B17R1.13 CCCCC(C)NCCCc1ccc(cc1)F 34a_100025745824_200011215066 [0,1,0,0,0,1|2,0,0]=4 6988 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Br 2230a_100000126638_100000183278 [0,1,0,0,0,1|2,0,0]=4 6989 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Br 2230a_100000746992_200011215066 [0,1,0,0,0,1|2,0,0]=4 6990 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Br 270004a_100000746992_100000210087 [0,1,0,0,0,1|2,0,0]=4 6991 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Br 34a_100000746992_200011215066 [0,1,0,0,0,1|2,0,0]=4 6992 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)C 2230a_100000126638_100000183172 [0,1,0,0,0,1|2,0,0]=4 6993 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)C 2230a_100020666663_200011215066 [0,1,0,0,0,1|2,0,0]=4 6994 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)C 270004a_100020666663_100000210087 [0,1,0,0,0,1|2,0,0]=4 6995 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)C 34a_100020666663_200011215066 [0,1,0,0,0,1|2,0,0]=4 6996 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Cl 2230a_100000126638_100000184122 [0,1,0,0,0,1|2,0,0]=4 6997 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Cl 2230a_100000697975_200011215066 [0,1,0,0,0,1|2,0,0]=4 6998 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Cl 270004a_100000697975_100000210087 [0,1,0,0,0,1|2,0,0]=4 6999 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)Cl 34a_100000697975_200011215066 [0,1,0,0,0,1|2,0,0]=4 7000 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)F 2230a_100000126638_100000184936 [0,1,0,0,0,1|2,0,0]=4 7001 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)F 2230a_100000737420_200011215066 [0,1,0,0,0,1|2,0,0]=4 7002 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)F 270004a_100000737420_100000210087 [0,1,0,0,0,1|2,0,0]=4 7003 B17R1.13 CCCCC(C)NCCOc1ccc(cc1)F 34a_100000737420_200011215066 [0,1,0,0,0,1|2,0,0]=4 7004 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)Br 2230a_100000184645_200011215066 [0,1,0,0,0,1|2,0,0]=4 7005 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)Br 270004a_100000184645_100000210087 [0,1,0,0,0,1|2,0,0]=4 7006 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)C 2230a_100000739754_200011215066 [0,1,0,0,0,1|2,0,0]=4 7007 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)C 270004a_100000739754_100000210087 [0,1,0,0,0,1|2,0,0]=4 7008 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)Cl 2230a_100000174974_200011215066 [0,1,0,0,0,1|2,0,0]=4 7009 B17R1.13 CCCCC(C)NCCSc1ccc(cc1)Cl 270004a_100000174974_100000210087 [0,1,0,0,0,1|2,0,0]=4 7010 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)Br 34a_100000687866_100010706785 [0,1,0,0,0,1|1,0,1]=4 7011 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)Br 34a_100009814260_200011215066 [0,1,0,0,0,1|1,0,1]=4 7012 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)Br 7a_100000687866_100010706785 [0,1,0,0,0,1|1,0,1]=4 7013 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)Br 7a_100009814260_200011215066 [0,1,0,0,0,1|1,0,1]=4 7014 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)C 34a_100000696136_200011215066 [0,1,0,0,0,1|1,0,1]=4 7015 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)C 7a_100000696136_200011215066 [0,1,0,0,0,1|1,0,1]=4 7016 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)F 34a_100000687866_100010402171 [0,1,0,0,0,1|1,0,1]=4 7017 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)F 34a_100011219116_200011215066 [0,1,0,0,0,1|1,0,1]=4 7018 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)F 7a_100000687866_100010402171 [0,1,0,0,0,1|1,0,1]=4 7019 B17R1.13 CCCCC(C)OCC#Cc1ccc(cc1)F 7a_100011219116_200011215066 [0,1,0,0,0,1|1,0,1]=4 7020 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Br 34a_100000687866_100011713682 [0,1,0,0,0,1|1,0,0]=3 7021 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Br 34a_100011709247_200011215066 [0,1,0,0,0,1|1,0,0]=3 7022 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Br 7a_100000687866_100011713682 [0,1,0,0,0,1|1,0,0]=3 7023 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Br 7a_100011709247_200011215066 [0,1,0,0,0,1|1,0,0]=3 7024 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)C 34a_100000189427_200011215066 [0,1,0,0,0,1|1,0,0]=3 7025 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)C 7a_100000189427_200011215066 [0,1,0,0,0,1|1,0,0]=3 7026 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Cl 34a_100000687866_100000759440 [0,1,0,0,0,1|1,0,0]=3 7027 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Cl 34a_100011217485_200011215066 [0,1,0,0,0,1|1,0,0]=3 7028 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Cl 7a_100000687866_100000759440 [0,1,0,0,0,1|1,0,0]=3 7029 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)Cl 7a_100011217485_200011215066 [0,1,0,0,0,1|1,0,0]=3 7030 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)F 34a_100000687866_200011713563 [0,1,0,0,0,1|1,0,0]=3 7031 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)F 34a_100000757351_200011215066 [0,1,0,0,0,1|1,0,0]=3 7032 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)F 7a_100000687866_200011713563 [0,1,0,0,0,1|1,0,0]=3 7033 B17R1.13 CCCCC(C)OCCCc1ccc(cc1)F 7a_100000757351_200011215066 [0,1,0,0,0,1|1,0,0]=3 7034 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Br 34a_100000686261_200011215066 [0,1,0,0,0,1|1,0,0]=3 7035 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Br 34a_100000687866_100000183278 [0,1,0,0,0,1|1,0,0]=3 7036 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Br 7a_100000686261_200011215066 [0,1,0,0,0,1|1,0,0]=3 7037 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Br 7a_100000687866_100000183278 [0,1,0,0,0,1|1,0,0]=3 7038 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)C 34a_100000687866_100000183172 [0,1,0,0,0,1|1,0,0]=3 7039 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)C 34a_100011219107_200011215066 [0,1,0,0,0,1|1,0,0]=3 7040 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)C 7a_100000687866_100000183172 [0,1,0,0,0,1|1,0,0]=3 7041 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)C 7a_100011219107_200011215066 [0,1,0,0,0,1|1,0,0]=3 7042 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Cl 34a_100000237962_200011215066 [0,1,0,0,0,1|1,0,0]=3 7043 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Cl 34a_100000687866_100000184122 [0,1,0,0,0,1|1,0,0]=3 7044 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Cl 7a_100000237962_200011215066 [0,1,0,0,0,1|1,0,0]=3 7045 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)Cl 7a_100000687866_100000184122 [0,1,0,0,0,1|1,0,0]=3 7046 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)F 34a_100000687866_100000184936 [0,1,0,0,0,1|1,0,0]=3 7047 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)F 7a_100000687866_100000184936 [0,1,0,0,0,1|1,0,0]=3 7048 B17R1.13 CCCCC(C)OCCOc1ccc(cc1)N 34a_100000754363_200011215066 [0,1,0,0,0,1|1,0,0]=3 7049 B17R1.13 CCCCC(C)OCCOc1ccc(cn1)N 34a_100102662783_200011215066 [0,1,0,0,0,1|2,0,0]=4 7050 B17R1.13 CCCCC(C)OCCOc1ccc(nc1)Br 34a_200013150534_200011215066 [0,1,0,0,0,1|2,0,0]=4 7051 B17R1.13 CCCCC(C)OCCOc1ccc(nc1)Br 7a_200013150534_200011215066 [0,1,0,0,0,1|2,0,0]=4 7052 B17R1.13 CCCCC(C)OCCSc1ccc(cc1)C 34a_200000230582_200011215066 [0,1,0,0,0,1|1,0,0]=3 7053 B17R1.13 CCCCC(C)OCCSc1ccc(cc1)C 7a_200000230582_200011215066 [0,1,0,0,0,1|1,0,0]=3 7054 B17R1.13 CCCCC(C)OCCSc1ccc(cc1)F 34a_200000230679_200011215066 [0,1,0,0,0,1|1,0,0]=3 7055 B17R1.13 CCCCC(C)OCCSc1ccc(cc1)F 7a_200000230679_200011215066 [0,1,0,0,0,1|1,0,0]=3 7056 B17R1.13 CCCCC(C)SCCOc1ccc(cc1)C 62a_100000183172_200011215066 [0,1,0,0,0,1|1,1,0]=4 7057 B17R1.13 CCCCC(C)SCCOc1ccc(cc1)C 62a_200011215066_100000183172 [0,1,0,0,0,1|1,1,0]=4 7058 B17R1.13 CCCCC(C)SCCOc1ccc(cc1)F 62a_100000184936_200011215066 [0,1,0,0,0,1|1,1,0]=4 7059 B17R1.13 CCCCC(C)SCCOc1ccc(cc1)F 62a_200011215066_100000184936 [0,1,0,0,0,1|1,1,0]=4 7060 B17R1.13 CCCC[C@H](N)COCCc1ccc(cc1)Br 34a_100011934283_100011740612 [0,1,0,0,0,1|2,0,0]=4 7061 B17R1.13 CCCC[C@H](N)COCCc1ccc(cc1)C 34a_100011934283_100011713686 [0,1,0,0,0,1|2,0,0]=4 7062 B17R1.13 CCCC[C@H](N)COCCc1ccc(cc1)Cl 34a_100011934283_100011713675 [0,1,0,0,0,1|2,0,0]=4 7063 B17R1.13 CCCC[C@H](N)COCCc1ccc(cc1)F 34a_100011934283_100011217392 [0,1,0,0,0,1|2,0,0]=4 7064 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)Br 34a_100000766406_200011215008 [0,1,0,0,0,1|1,0,1]=4 7065 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)Br 7a_100000766406_200011215008 [0,1,0,0,0,1|1,0,1]=4 7066 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)C 34a_100000756670_200011215008 [0,1,0,0,0,1|1,0,1]=4 7067 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)C 7a_100000756670_200011215008 [0,1,0,0,0,1|1,0,1]=4 7068 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)Cl 34a_100011219627_200011215008 [0,1,0,0,0,1|1,0,1]=4 7069 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)Cl 7a_100011219627_200011215008 [0,1,0,0,0,1|1,0,1]=4 7070 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)F 34a_100000754732_200011215008 [0,1,0,0,0,1|1,0,1]=4 7071 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)F 7a_100000754732_200011215008 [0,1,0,0,0,1|1,0,1]=4 7072 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)I 34a_100012291149_200011215008 [0,1,0,0,0,1|1,0,1]=4 7073 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)I 7a_100012291149_200011215008 [0,1,0,0,0,1|1,0,1]=4 7074 B17R1.13 CCCOC(=O)COCCc1ccc(cc1)N 34a_100011204434_200011215008 [0,1,0,0,0,1|1,0,1]=4 7075 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)Br 34a_100000174875_200000139673 [0,1,0,0,0,1|1,0,1]=4 7076 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)C 34a_100000174908_200000139673 [0,1,0,0,0,1|1,0,1]=4 7077 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)Cl 34a_100000174871_200000139673 [0,1,0,0,0,1|1,0,1]=4 7078 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)F 34a_100000174882_200000139673 [0,1,0,0,0,1|1,0,1]=4 7079 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)I 34a_100016989417_200000139673 [0,1,0,0,0,1|1,0,1]=4 7080 B17R1.13 CCCOC(=O)OCNCc1ccc(cc1)O 34a_100000185549_200000139673 [0,1,0,0,0,1|1,0,1]=4 7081 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)Br 34a_100000695286_200000139673 [0,1,0,0,0,1|1,0,1]=4 7082 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)C 34a_100011215236_200000139673 [0,1,0,0,0,1|1,0,1]=4 7083 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)C 7a_100011215236_200000139673 [0,1,0,0,0,1|1,0,1]=4 7084 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)Cl 34a_100000211118_200000139673 [0,1,0,0,0,1|1,0,1]=4 7085 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)Cl 7a_100000211118_200000139673 [0,1,0,0,0,1|1,0,1]=4 7086 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)F 34a_100000210977_200000139673 [0,1,0,0,0,1|1,0,1]=4 7087 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)F 7a_100000210977_200000139673 [0,1,0,0,0,1|1,0,1]=4 7088 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)I 34a_100000690907_200000139673 [0,1,0,0,0,1|1,0,1]=4 7089 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)I 7a_100000690907_200000139673 [0,1,0,0,0,1|1,0,1]=4 7090 B17R1.13 CCCOC(=O)OCOCc1ccc(cc1)N 34a_100011215238_200000139673 [0,1,0,0,0,1|1,0,1]=4 7091 B17R1.13 CCCOC(=O)OCSCc1ccc(cc1)Br 62a_100000189115_200000139673 [0,1,0,0,0,1|1,0,1]=4 7092 B17R1.13 CCCOC(=O)OCSCc1ccc(cc1)C 62a_100000210814_200000139673 [0,1,0,0,0,1|1,0,1]=4 7093 B17R1.13 CCCOC(=O)OCSCc1ccc(cc1)Cl 62a_100000187161_200000139673 [0,1,0,0,0,1|1,0,1]=4 7094 B17R1.13 CCCOC(=O)OCSCc1ccc(cc1)F 62a_100000198546_200000139673 [0,1,0,0,0,1|1,0,1]=4 7095 B17R1.13 CCCOC(=O)OCSCc1ccc(cc1)I 62a_100000189116_200000139673 [0,1,0,0,0,1|1,0,1]=4 7096 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)Br 2230a_100015185124_100011740612 [0,1,0,0,0,1|1,0,0]=3 7097 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)Br 34a_100015185124_100011740612 [0,1,0,0,0,1|1,0,0]=3 7098 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)C 2230a_100015185124_100011713686 [0,1,0,0,0,1|1,0,0]=3 7099 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)C 34a_100015185124_100011713686 [0,1,0,0,0,1|1,0,0]=3 7100 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)Cl 2230a_100015185124_100011713675 [0,1,0,0,0,1|1,0,0]=3 7101 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)Cl 34a_100015185124_100011713675 [0,1,0,0,0,1|1,0,0]=3 7102 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)F 2230a_100015185124_100011217392 [0,1,0,0,0,1|1,0,0]=3 7103 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)F 34a_100015185124_100011217392 [0,1,0,0,0,1|1,0,0]=3 7104 B17R1.13 CCCOC(C)CNCCc1ccc(cc1)O 2230a_100015185124_100009816426 [0,1,0,0,0,1|1,0,0]=3 7105 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)Br 34a_100000718985_100011713682 [0,1,0,0,0,1|2,0,0]=4 7106 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)Br 7a_100000718985_100011713682 [0,1,0,0,0,1|2,0,0]=4 7107 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)Cl 34a_100000718985_100000759440 [0,1,0,0,0,1|2,0,0]=4 7108 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)Cl 7a_100000718985_100000759440 [0,1,0,0,0,1|2,0,0]=4 7109 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)F 34a_100000718985_200011713563 [0,1,0,0,0,1|2,0,0]=4 7110 B17R1.13 CCOCC(C)OCCCc1ccc(cc1)F 7a_100000718985_200011713563 [0,1,0,0,0,1|2,0,0]=4 7111 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)Br 34a_100000718985_100000183278 [0,1,0,0,0,1|2,0,0]=4 7112 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)Br 7a_100000718985_100000183278 [0,1,0,0,0,1|2,0,0]=4 7113 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)C 34a_100000718985_100000183172 [0,1,0,0,0,1|2,0,0]=4 7114 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)C 7a_100000718985_100000183172 [0,1,0,0,0,1|2,0,0]=4 7115 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)Cl 34a_100000718985_100000184122 [0,1,0,0,0,1|2,0,0]=4 7116 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)Cl 7a_100000718985_100000184122 [0,1,0,0,0,1|2,0,0]=4 7117 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)F 34a_100000718985_100000184936 [0,1,0,0,0,1|2,0,0]=4 7118 B17R1.13 CCOCC(C)OCCOc1ccc(cc1)F 7a_100000718985_100000184936 [0,1,0,0,0,1|2,0,0]=4 7119 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)Br 34a_100016172286_100011740612 [0,1,0,0,0,1|1,0,0]=3 7120 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)Br 7a_100016172286_100011740612 [0,1,0,0,0,1|1,0,0]=3 7121 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)C 34a_100016172286_100011713686 [0,1,0,0,0,1|1,0,0]=3 7122 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)C 7a_100016172286_100011713686 [0,1,0,0,0,1|1,0,0]=3 7123 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)Cl 34a_100016172286_100011713675 [0,1,0,0,0,1|1,0,0]=3 7124 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)Cl 7a_100016172286_100011713675 [0,1,0,0,0,1|1,0,0]=3 7125 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)F 34a_100016172286_100011217392 [0,1,0,0,0,1|1,0,0]=3 7126 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)F 7a_100016172286_100011217392 [0,1,0,0,0,1|1,0,0]=3 7127 B17R1.13 COCO[C@H](C)COCCc1ccc(cc1)O 7a_100016172286_100009816426 [0,1,0,0,0,1|1,0,0]=3 7128 B17R1.13 Cc1ccc(cc1)OCCOC(C)CCCCl 34a_200000718107_100000183172 [0,1,0,0,0,1|2,0,0]=4 7129 B17R1.13 Cc1ccc(cc1)OCCOC(C)CCCCl 7a_200000718107_100000183172 [0,1,0,0,0,1|2,0,0]=4 7130 B17R1.872 CCC(C)CC(C)NCCCc1ccccc1 2230a_100000763565_100000211621 [0,1,0,0,0,1|2,0,0]=4 7131 B17R1.872 CCC(C)CC(C)NCCCc1ccccc1 270004a_100000211184_100011710205 [0,1,0,0,0,1|2,0,0]=4 7132 B17R1.872 CCC(C)CC(C)NCCOc1ccccc1 2230a_100000763565_100000184471 [0,1,0,0,0,1|2,0,0]=4 7133 B17R1.872 CCC(C)CC(C)NCCOc1ccccc1 270004a_100000174943_100011710205 [0,1,0,0,0,1|2,0,0]=4 7134 B17R1.872 CCC(C)CC(C)NCCOc1ccccc1 270004a_100000763565_100000758736 [0,1,0,0,0,1|2,0,0]=4 7135 B17R1.872 CCC(C)CC(C)NCCSc1ccccc1 2230a_100000763565_100000246102 [0,1,0,0,0,1|2,0,0]=4 7136 B17R1.872 CCC(C)CC(C)NCCSc1ccccc1 270004a_100000189519_100011710205 [0,1,0,0,0,1|2,0,0]=4 7137 B17R1.872 CCC(C)CC(C)NCOCc1ccccc1 2230a_100000763565_100000763385 [0,1,0,0,0,1|2,0,0]=4 7138 B17R1.872 CCC(C)CC(C)NCSCc1ccccc1 2230a_100000763565_200011217039 [0,1,0,0,0,1|2,0,0]=4 7139 B17R1.872 CCC(C)NC(C)CCCCc1ccccc1 270004a_100000209981_200011485782 [0,1,0,0,0,1|2,0,0]=4 7140 B17R1.872 CCC(C)NC(C)CCOCc1ccccc1 270004a_100000209981_100011219826 [0,1,0,0,0,1|2,0,0]=4 7141 B17R1.1515 C#CCOC(C)COCCc1ccccc1Br 34a_200000093152_100012161201 [0,1,0,0,0,1|0,0,2]=4 7142 B17R1.1515 C#CCOC(C)COCCc1ccccc1Br 7a_200000093152_100012161201 [0,1,0,0,0,1|0,0,2]=4 7143 B17R1.1515 C#CCOC(C)COCCc1ccccc1C 34a_200000093152_100011713688 [0,1,0,0,0,1|0,0,2]=4 7144 B17R1.1515 C#CCOC(C)COCCc1ccccc1C 7a_200000093152_100011713688 [0,1,0,0,0,1|0,0,2]=4 7145 B17R1.1515 C#CCOC(C)COCCc1ccccc1Cl 34a_200000093152_100011713703 [0,1,0,0,0,1|0,0,2]=4 7146 B17R1.1515 C#CCOC(C)COCCc1ccccc1Cl 7a_200000093152_100011713703 [0,1,0,0,0,1|0,0,2]=4 7147 B17R1.1515 C#CCOC(C)COCCc1ccccc1F 34a_200000093152_100000720011 [0,1,0,0,0,1|0,0,2]=4 7148 B17R1.1515 C#CCOC(C)COCCc1ccccc1F 7a_200000093152_100000720011 [0,1,0,0,0,1|0,0,2]=4 7149 B17R1.1515 C#CCOC(C)COCCc1ccccc1O 34a_200000093152_100000722297 [0,1,0,0,0,1|0,0,2]=4 7150 B17R1.1515 C#CCOC(C)COCCc1ccccc1O 7a_200000093152_100000722297 [0,1,0,0,0,1|0,0,2]=4 7151 B17R1.1515 CC(CCCCl)OCCCc1ccccc1Br 34a_200000718107_200011713681 [0,1,0,0,0,1|2,0,0]=4 7152 B17R1.1515 CC(CCCCl)OCCCc1ccccc1Br 7a_200000718107_200011713681 [0,1,0,0,0,1|2,0,0]=4 7153 B17R1.1515 CC(CCCCl)OCCOc1ccccc1Br 34a_200000718107_100000695877 [0,1,0,0,0,1|2,0,0]=4 7154 B17R1.1515 CC(CCCCl)OCCOc1ccccc1Br 7a_200000718107_100000695877 [0,1,0,0,0,1|2,0,0]=4 7155 B17R1.1515 CC(CCCCl)OCCOc1ccccc1F 34a_200000718107_100000183290 [0,1,0,0,0,1|2,0,0]=4 7156 B17R1.1515 CC(CCCCl)OCCOc1ccccc1F 7a_200000718107_100000183290 [0,1,0,0,0,1|2,0,0]=4 7157 B17R1.1515 CCC#CC(C)OCCCc1ccccc1Br 34a_100000033903_200011713681 [0,1,0,0,0,1|1,0,1]=4 7158 B17R1.1515 CCC#CC(C)OCCCc1ccccc1Br 7a_100000033903_200011713681 [0,1,0,0,0,1|1,0,1]=4 7159 B17R1.1515 CCC#CC(C)OCCOc1ccccc1Br 34a_100000033903_100000695877 [0,1,0,0,0,1|1,0,1]=4 7160 B17R1.1515 CCC#CC(C)OCCOc1ccccc1Br 7a_100000033903_100000695877 [0,1,0,0,0,1|1,0,1]=4 7161 B17R1.1515 CCC#CC(C)OCCOc1ccccc1C 34a_100000033903_100000184434 [0,1,0,0,0,1|1,0,1]=4 7162 B17R1.1515 CCC#CC(C)OCCOc1ccccc1C 7a_100000033903_100000184434 [0,1,0,0,0,1|1,0,1]=4 7163 B17R1.1515 CCC#CC(C)OCCOc1ccccc1F 34a_100000033903_100000183290 [0,1,0,0,0,1|1,0,1]=4 7164 B17R1.1515 CCC#CC(C)OCCOc1ccccc1F 7a_100000033903_100000183290 [0,1,0,0,0,1|1,0,1]=4 7165 B17R1.1515 CCCCC(C)COCCc1ccccc1Br 34a_100011995851_100012161201 [0,1,0,0,0,1|1,0,0]=3 7166 B17R1.1515 CCCCC(C)COCCc1ccccc1Br 7a_100011995851_100012161201 [0,1,0,0,0,1|1,0,0]=3 7167 B17R1.1515 CCCCC(C)COCCc1ccccc1C 34a_100011995851_100011713688 [0,1,0,0,0,1|1,0,0]=3 7168 B17R1.1515 CCCCC(C)COCCc1ccccc1C 7a_100011995851_100011713688 [0,1,0,0,0,1|1,0,0]=3 7169 B17R1.1515 CCCCC(C)COCCc1ccccc1Cl 34a_100011995851_100011713703 [0,1,0,0,0,1|1,0,0]=3 7170 B17R1.1515 CCCCC(C)COCCc1ccccc1Cl 7a_100011995851_100011713703 [0,1,0,0,0,1|1,0,0]=3 7171 B17R1.1515 CCCCC(C)COCCc1ccccc1F 34a_100011995851_100000720011 [0,1,0,0,0,1|1,0,0]=3 7172 B17R1.1515 CCCCC(C)COCCc1ccccc1F 7a_100011995851_100000720011 [0,1,0,0,0,1|1,0,0]=3 7173 B17R1.1515 CCCCC(C)COCCc1ccccc1O 34a_100011995851_100000722297 [0,1,0,0,0,1|1,0,0]=3 7174 B17R1.1515 CCCCC(C)COCCc1ccccc1O 7a_100011995851_100000722297 [0,1,0,0,0,1|1,0,0]=3 7175 B17R1.1515 CCCCC(C)NCCCc1ccccc1Br 2230a_100000126638_200011713681 [0,1,0,0,0,1|2,0,0]=4 7176 B17R1.1515 CCCCC(C)NCCCc1ccccc1F 2230a_100000724733_200011215066 [0,1,0,0,0,1|2,0,0]=4 7177 B17R1.1515 CCCCC(C)NCCCc1ccccc1F 270004a_100000724733_100000210087 [0,1,0,0,0,1|2,0,0]=4 7178 B17R1.1515 CCCCC(C)NCCCc1ccccc1F 34a_100000724733_200011215066 [0,1,0,0,0,1|2,0,0]=4 7179 B17R1.1515 CCCCC(C)NCCOc1ccccc1Br 2230a_100000126638_100000695877 [0,1,0,0,0,1|2,0,0]=4 7180 B17R1.1515 CCCCC(C)NCCOc1ccccc1Br 2230a_100000744007_200011215066 [0,1,0,0,0,1|2,0,0]=4 7181 B17R1.1515 CCCCC(C)NCCOc1ccccc1Br 270004a_100000744007_100000210087 [0,1,0,0,0,1|2,0,0]=4 7182 B17R1.1515 CCCCC(C)NCCOc1ccccc1Br 34a_100000744007_200011215066 [0,1,0,0,0,1|2,0,0]=4 7183 B17R1.1515 CCCCC(C)NCCOc1ccccc1C 2230a_100000126638_100000184434 [0,1,0,0,0,1|2,0,0]=4 7184 B17R1.1515 CCCCC(C)NCCOc1ccccc1C 2230a_100000743344_200011215066 [0,1,0,0,0,1|2,0,0]=4 7185 B17R1.1515 CCCCC(C)NCCOc1ccccc1C 270004a_100000743344_100000210087 [0,1,0,0,0,1|2,0,0]=4 7186 B17R1.1515 CCCCC(C)NCCOc1ccccc1C 34a_100000743344_200011215066 [0,1,0,0,0,1|2,0,0]=4 7187 B17R1.1515 CCCCC(C)NCCOc1ccccc1Cl 2230a_100000174932_200011215066 [0,1,0,0,0,1|2,0,0]=4 7188 B17R1.1515 CCCCC(C)NCCOc1ccccc1Cl 270004a_100000174932_100000210087 [0,1,0,0,0,1|2,0,0]=4 7189 B17R1.1515 CCCCC(C)NCCOc1ccccc1Cl 34a_100000174932_200011215066 [0,1,0,0,0,1|2,0,0]=4 7190 B17R1.1515 CCCCC(C)NCCOc1ccccc1F 2230a_100000126638_100000183290 [0,1,0,0,0,1|2,0,0]=4 7191 B17R1.1515 CCCCC(C)NCCOc1ccccc1F 2230a_100000683764_200011215066 [0,1,0,0,0,1|2,0,0]=4 7192 B17R1.1515 CCCCC(C)NCCOc1ccccc1F 270004a_100000683764_100000210087 [0,1,0,0,0,1|2,0,0]=4 7193 B17R1.1515 CCCCC(C)NCCOc1ccccc1F 34a_100000683764_200011215066 [0,1,0,0,0,1|2,0,0]=4 7194 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Br 34a_100000687866_100010706765 [0,1,0,0,0,1|1,0,1]=4 7195 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Br 34a_100009814404_200011215066 [0,1,0,0,0,1|1,0,1]=4 7196 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Br 7a_100000687866_100010706765 [0,1,0,0,0,1|1,0,1]=4 7197 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Br 7a_100009814404_200011215066 [0,1,0,0,0,1|1,0,1]=4 7198 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1C 34a_200011352491_200011215066 [0,1,0,0,0,1|1,0,1]=4 7199 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1C 7a_200011352491_200011215066 [0,1,0,0,0,1|1,0,1]=4 7200 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Cl 34a_100011219350_200011215066 [0,1,0,0,0,1|1,0,1]=4 7201 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1Cl 7a_100011219350_200011215066 [0,1,0,0,0,1|1,0,1]=4 7202 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1F 34a_100000687866_100010404167 [0,1,0,0,0,1|1,0,1]=4 7203 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1F 34a_100011219114_200011215066 [0,1,0,0,0,1|1,0,1]=4 7204 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1F 7a_100000687866_100010404167 [0,1,0,0,0,1|1,0,1]=4 7205 B17R1.1515 CCCCC(C)OCC#Cc1ccccc1F 7a_100011219114_200011215066 [0,1,0,0,0,1|1,0,1]=4 7206 B17R1.1515 CCCCC(C)OCCCc1ccccc1Br 34a_100000687866_200011713681 [0,1,0,0,0,1|1,0,0]=3 7207 B17R1.1515 CCCCC(C)OCCCc1ccccc1Br 34a_100000699526_200011215066 [0,1,0,0,0,1|1,0,0]=3 7208 B17R1.1515 CCCCC(C)OCCCc1ccccc1Br 7a_100000687866_200011713681 [0,1,0,0,0,1|1,0,0]=3 7209 B17R1.1515 CCCCC(C)OCCCc1ccccc1Br 7a_100000699526_200011215066 [0,1,0,0,0,1|1,0,0]=3 7210 B17R1.1515 CCCCC(C)OCCCc1ccccc1Cl 34a_100011709251_200011215066 [0,1,0,0,0,1|1,0,0]=3 7211 B17R1.1515 CCCCC(C)OCCCc1ccccc1Cl 7a_100011709251_200011215066 [0,1,0,0,0,1|1,0,0]=3 7212 B17R1.1515 CCCCC(C)OCCCc1ccccc1F 34a_100011709249_200011215066 [0,1,0,0,0,1|1,0,0]=3 7213 B17R1.1515 CCCCC(C)OCCCc1ccccc1F 7a_100011709249_200011215066 [0,1,0,0,0,1|1,0,0]=3 7214 B17R1.1515 CCCCC(C)OCCNc1ccccc1C 34a_100011233185_200011215066 [0,1,0,0,0,1|1,0,0]=3 7215 B17R1.1515 CCCCC(C)OCCNc1ccccc1N 34a_100000683943_200011215066 [0,1,0,0,0,1|1,0,0]=3 7216 B17R1.1515 CCCCC(C)OCCOc1ccccc1Br 34a_100000230753_200011215066 [0,1,0,0,0,1|1,0,0]=3 7217 B17R1.1515 CCCCC(C)OCCOc1ccccc1Br 34a_100000687866_100000695877 [0,1,0,0,0,1|1,0,0]=3 7218 B17R1.1515 CCCCC(C)OCCOc1ccccc1Br 7a_100000230753_200011215066 [0,1,0,0,0,1|1,0,0]=3 7219 B17R1.1515 CCCCC(C)OCCOc1ccccc1Br 7a_100000687866_100000695877 [0,1,0,0,0,1|1,0,0]=3 7220 B17R1.1515 CCCCC(C)OCCOc1ccccc1C 34a_100000687866_100000184434 [0,1,0,0,0,1|1,0,0]=3 7221 B17R1.1515 CCCCC(C)OCCOc1ccccc1C 7a_100000687866_100000184434 [0,1,0,0,0,1|1,0,0]=3 7222 B17R1.1515 CCCCC(C)OCCOc1ccccc1Cl 34a_200000230518_200011215066 [0,1,0,0,0,1|1,0,0]=3 7223 B17R1.1515 CCCCC(C)OCCOc1ccccc1Cl 7a_200000230518_200011215066 [0,1,0,0,0,1|1,0,0]=3 7224 B17R1.1515 CCCCC(C)OCCOc1ccccc1F 34a_100000687866_100000183290 [0,1,0,0,0,1|1,0,0]=3 7225 B17R1.1515 CCCCC(C)OCCOc1ccccc1F 34a_100000756447_200011215066 [0,1,0,0,0,1|1,0,0]=3 7226 B17R1.1515 CCCCC(C)OCCOc1ccccc1F 7a_100000687866_100000183290 [0,1,0,0,0,1|1,0,0]=3 7227 B17R1.1515 CCCCC(C)OCCOc1ccccc1F 7a_100000756447_200011215066 [0,1,0,0,0,1|1,0,0]=3 7228 B17R1.1515 CCCCC(C)OCCOc1ccccc1N 34a_100132302172_200011215066 [0,1,0,0,0,1|1,0,0]=3 7229 B17R1.1515 CCCCC(C)OCCSc1ccccc1F 34a_200000230732_200011215066 [0,1,0,0,0,1|1,0,0]=3 7230 B17R1.1515 CCCCC(C)OCCSc1ccccc1F 7a_200000230732_200011215066 [0,1,0,0,0,1|1,0,0]=3 7231 B17R1.1515 CCCCC(C)SCCOc1ccccc1C 62a_100000184434_200011215066 [0,1,0,0,0,1|1,1,0]=4 7232 B17R1.1515 CCCCC(C)SCCOc1ccccc1C 62a_200011215066_100000184434 [0,1,0,0,0,1|1,1,0]=4 7233 B17R1.1515 CCCCC(C)SCCOc1ccccc1F 62a_100000183290_200011215066 [0,1,0,0,0,1|1,1,0]=4 7234 B17R1.1515 CCCCC(C)SCCOc1ccccc1F 62a_200011215066_100000183290 [0,1,0,0,0,1|1,1,0]=4 7235 B17R1.1515 CCCC[C@H](N)COCCc1ccccc1Br 34a_100011934283_100012161201 [0,1,0,0,0,1|2,0,0]=4 7236 B17R1.1515 CCCC[C@H](N)COCCc1ccccc1C 34a_100011934283_100011713688 [0,1,0,0,0,1|2,0,0]=4 7237 B17R1.1515 CCCC[C@H](N)COCCc1ccccc1Cl 34a_100011934283_100011713703 [0,1,0,0,0,1|2,0,0]=4 7238 B17R1.1515 CCCC[C@H](N)COCCc1ccccc1F 34a_100011934283_100000720011 [0,1,0,0,0,1|2,0,0]=4 7239 B17R1.1515 CCCC[C@H](N)COCCc1ccccc1O 34a_100011934283_100000722297 [0,1,0,0,0,1|2,0,0]=4 7240 B17R1.1515 CCCOC(=O)COCCc1ccccc1Br 34a_100000731337_200011215008 [0,1,0,0,0,1|1,0,1]=4 7241 B17R1.1515 CCCOC(=O)COCCc1ccccc1Br 7a_100000731337_200011215008 [0,1,0,0,0,1|1,0,1]=4 7242 B17R1.1515 CCCOC(=O)COCCc1ccccc1C 34a_100011220023_200011215008 [0,1,0,0,0,1|1,0,1]=4 7243 B17R1.1515 CCCOC(=O)COCCc1ccccc1C 7a_100011220023_200011215008 [0,1,0,0,0,1|1,0,1]=4 7244 B17R1.1515 CCCOC(=O)COCCc1ccccc1Cl 34a_100011215284_200011215008 [0,1,0,0,0,1|1,0,1]=4 7245 B17R1.1515 CCCOC(=O)COCCc1ccccc1Cl 7a_100011215284_200011215008 [0,1,0,0,0,1|1,0,1]=4 7246 B17R1.1515 CCCOC(=O)COCCc1ccccc1F 34a_100000753711_200011215008 [0,1,0,0,0,1|1,0,1]=4 7247 B17R1.1515 CCCOC(=O)COCCc1ccccc1F 7a_100000753711_200011215008 [0,1,0,0,0,1|1,0,1]=4 7248 B17R1.1515 CCCOC(=O)COCCc1ccccc1I 34a_100010255290_200011215008 [0,1,0,0,0,1|1,0,1]=4 7249 B17R1.1515 CCCOC(=O)COCCc1ccccc1I 7a_100010255290_200011215008 [0,1,0,0,0,1|1,0,1]=4 7250 B17R1.1515 CCCOC(=O)COCCc1ccccc1N 34a_100011215289_200011215008 [0,1,0,0,0,1|1,0,1]=4 7251 B17R1.1515 CCCOC(=O)OCNCc1ccccc1Br 34a_100000689332_200000139673 [0,1,0,0,0,1|1,0,1]=4 7252 B17R1.1515 CCCOC(=O)OCNCc1ccccc1C 34a_100000174972_200000139673 [0,1,0,0,0,1|1,0,1]=4 7253 B17R1.1515 CCCOC(=O)OCNCc1ccccc1Cl 34a_100000174879_200000139673 [0,1,0,0,0,1|1,0,1]=4 7254 B17R1.1515 CCCOC(=O)OCNCc1ccccc1F 34a_100000174869_200000139673 [0,1,0,0,0,1|1,0,1]=4 7255 B17R1.1515 CCCOC(=O)OCNCc1ccccc1O 34a_100000185550_200000139673 [0,1,0,0,0,1|1,0,1]=4 7256 B17R1.1515 CCCOC(=O)OCOCc1ccccc1Br 34a_100000756307_200000139673 [0,1,0,0,0,1|1,0,1]=4 7257 B17R1.1515 CCCOC(=O)OCOCc1ccccc1Br 7a_100000756307_200000139673 [0,1,0,0,0,1|1,0,1]=4 7258 B17R1.1515 CCCOC(=O)OCOCc1ccccc1C 34a_100000698903_200000139673 [0,1,0,0,0,1|1,0,1]=4 7259 B17R1.1515 CCCOC(=O)OCOCc1ccccc1C 7a_100000698903_200000139673 [0,1,0,0,0,1|1,0,1]=4 7260 B17R1.1515 CCCOC(=O)OCOCc1ccccc1Cl 34a_100000210847_200000139673 [0,1,0,0,0,1|1,0,1]=4 7261 B17R1.1515 CCCOC(=O)OCOCc1ccccc1Cl 7a_100000210847_200000139673 [0,1,0,0,0,1|1,0,1]=4 7262 B17R1.1515 CCCOC(=O)OCOCc1ccccc1F 34a_100000211962_200000139673 [0,1,0,0,0,1|1,0,1]=4 7263 B17R1.1515 CCCOC(=O)OCOCc1ccccc1F 7a_100000211962_200000139673 [0,1,0,0,0,1|1,0,1]=4 7264 B17R1.1515 CCCOC(=O)OCOCc1ccccc1I 34a_100000187465_200000139673 [0,1,0,0,0,1|1,0,1]=4 7265 B17R1.1515 CCCOC(=O)OCOCc1ccccc1I 7a_100000187465_200000139673 [0,1,0,0,0,1|1,0,1]=4 7266 B17R1.1515 CCCOC(=O)OCOCc1ccccc1N 34a_100000212039_200000139673 [0,1,0,0,0,1|1,0,1]=4 7267 B17R1.1515 CCCOC(=O)OCSCc1ccccc1Br 62a_100000184730_200000139673 [0,1,0,0,0,1|1,0,1]=4 7268 B17R1.1515 CCCOC(=O)OCSCc1ccccc1C 62a_100000211839_200000139673 [0,1,0,0,0,1|1,0,1]=4 7269 B17R1.1515 CCCOC(=O)OCSCc1ccccc1Cl 62a_100000187162_200000139673 [0,1,0,0,0,1|1,0,1]=4 7270 B17R1.1515 CCCOC(=O)OCSCc1ccccc1F 62a_100000211605_200000139673 [0,1,0,0,0,1|1,0,1]=4 7271 B17R1.1515 CCCOC(=O)OCSCc1ccccc1I 62a_100011216222_200000139673 [0,1,0,0,0,1|1,0,1]=4 7272 B17R1.1515 CCCOC(C)CNCCc1ccccc1Br 2230a_100015185124_100012161201 [0,1,0,0,0,1|1,0,0]=3 7273 B17R1.1515 CCCOC(C)CNCCc1ccccc1Br 34a_100015185124_100012161201 [0,1,0,0,0,1|1,0,0]=3 7274 B17R1.1515 CCCOC(C)CNCCc1ccccc1C 2230a_100015185124_100011713688 [0,1,0,0,0,1|1,0,0]=3 7275 B17R1.1515 CCCOC(C)CNCCc1ccccc1C 34a_100015185124_100011713688 [0,1,0,0,0,1|1,0,0]=3 7276 B17R1.1515 CCCOC(C)CNCCc1ccccc1Cl 2230a_100015185124_100011713703 [0,1,0,0,0,1|1,0,0]=3 7277 B17R1.1515 CCCOC(C)CNCCc1ccccc1Cl 270004a_100015185124_200011713468 [0,1,0,0,0,1|1,0,0]=3 7278 B17R1.1515 CCCOC(C)CNCCc1ccccc1Cl 34a_100015185124_100011713703 [0,1,0,0,0,1|1,0,0]=3 7279 B17R1.1515 CCCOC(C)CNCCc1ccccc1F 2230a_100015185124_100011713696 [0,1,0,0,0,1|1,0,0]=3 7280 B17R1.1515 CCCOC(C)CNCCc1ccccc1F 34a_100015185124_100000720011 [0,1,0,0,0,1|1,0,0]=3 7281 B17R1.1515 CCCOC(C)CNCCc1ccccc1O 34a_100015185124_100000722297 [0,1,0,0,0,1|1,0,0]=3 7282 B17R1.1515 CCOCC(C)OCCCc1ccccc1Br 34a_100000718985_200011713681 [0,1,0,0,0,1|2,0,0]=4 7283 B17R1.1515 CCOCC(C)OCCCc1ccccc1Br 7a_100000718985_200011713681 [0,1,0,0,0,1|2,0,0]=4 7284 B17R1.1515 CCOCC(C)OCCOc1ccccc1Br 34a_100000718985_100000695877 [0,1,0,0,0,1|2,0,0]=4 7285 B17R1.1515 CCOCC(C)OCCOc1ccccc1Br 7a_100000718985_100000695877 [0,1,0,0,0,1|2,0,0]=4 7286 B17R1.1515 CCOCC(C)OCCOc1ccccc1C 34a_100000718985_100000184434 [0,1,0,0,0,1|2,0,0]=4 7287 B17R1.1515 CCOCC(C)OCCOc1ccccc1C 7a_100000718985_100000184434 [0,1,0,0,0,1|2,0,0]=4 7288 B17R1.1515 CCOCC(C)OCCOc1ccccc1F 34a_100000718985_100000183290 [0,1,0,0,0,1|2,0,0]=4 7289 B17R1.1515 CCOCC(C)OCCOc1ccccc1F 7a_100000718985_100000183290 [0,1,0,0,0,1|2,0,0]=4 7290 B17R1.1515 COCO[C@H](C)COCCc1ccccc1Br 34a_100016172286_100012161201 [0,1,0,0,0,1|1,0,0]=3 7291 B17R1.1515 COCO[C@H](C)COCCc1ccccc1Br 7a_100016172286_100012161201 [0,1,0,0,0,1|1,0,0]=3 7292 B17R1.1515 COCO[C@H](C)COCCc1ccccc1C 34a_100016172286_100011713688 [0,1,0,0,0,1|1,0,0]=3 7293 B17R1.1515 COCO[C@H](C)COCCc1ccccc1C 7a_100016172286_100011713688 [0,1,0,0,0,1|1,0,0]=3 7294 B17R1.1515 COCO[C@H](C)COCCc1ccccc1Cl 34a_100016172286_100011713703 [0,1,0,0,0,1|1,0,0]=3 7295 B17R1.1515 COCO[C@H](C)COCCc1ccccc1Cl 7a_100016172286_100011713703 [0,1,0,0,0,1|1,0,0]=3 7296 B17R1.1515 COCO[C@H](C)COCCc1ccccc1F 34a_100016172286_100000720011 [0,1,0,0,0,1|1,0,0]=3 7297 B17R1.1515 COCO[C@H](C)COCCc1ccccc1F 7a_100016172286_100000720011 [0,1,0,0,0,1|1,0,0]=3 7298 B17R1.1515 COCO[C@H](C)COCCc1ccccc1O 34a_100016172286_100000722297 [0,1,0,0,0,1|1,0,0]=3 7299 B17R1.1515 COCO[C@H](C)COCCc1ccccc1O 7a_100016172286_100000722297 [0,1,0,0,0,1|1,0,0]=3 7300 B17R1.1515 Cc1ccccc1OCCOC(C)CCCCl 34a_200000718107_100000184434 [0,1,0,0,0,1|2,0,0]=4 7301 B17R1.1515 Cc1ccccc1OCCOC(C)CCCCl 7a_200000718107_100000184434 [0,1,0,0,0,1|2,0,0]=4 7302 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)Br 34a_200000093152_100011740638 [0,1,0,0,0,1|0,0,2]=4 7303 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)Br 7a_200000093152_100011740638 [0,1,0,0,0,1|0,0,2]=4 7304 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)C 34a_200000093152_100011713685 [0,1,0,0,0,1|0,0,2]=4 7305 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)C 7a_200000093152_100011713685 [0,1,0,0,0,1|0,0,2]=4 7306 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)Cl 34a_200000093152_100011713710 [0,1,0,0,0,1|0,0,2]=4 7307 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)Cl 7a_200000093152_100011713710 [0,1,0,0,0,1|0,0,2]=4 7308 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)F 34a_200000093152_100011217235 [0,1,0,0,0,1|0,0,2]=4 7309 B17R1.1531 C#CCOC(C)COCCc1cccc(c1)F 7a_200000093152_100011217235 [0,1,0,0,0,1|0,0,2]=4 7310 B17R1.1531 CC(CCCCl)OCCCc1cccc(c1)Br 34a_200000718107_100011713683 [0,1,0,0,0,1|2,0,0]=4 7311 B17R1.1531 CC(CCCCl)OCCCc1cccc(c1)Br 7a_200000718107_100011713683 [0,1,0,0,0,1|2,0,0]=4 7312 B17R1.1531 CC(CCCCl)OCCCc1cccc(c1)F 34a_200000718107_200000698031 [0,1,0,0,0,1|2,0,0]=4 7313 B17R1.1531 CC(CCCCl)OCCCc1cccc(c1)F 7a_200000718107_200000698031 [0,1,0,0,0,1|2,0,0]=4 7314 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)Br 34a_200000718107_100000183150 [0,1,0,0,0,1|2,0,0]=4 7315 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)Br 7a_200000718107_100000183150 [0,1,0,0,0,1|2,0,0]=4 7316 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)Cl 34a_200000718107_100000181161 [0,1,0,0,0,1|2,0,0]=4 7317 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)Cl 7a_200000718107_100000181161 [0,1,0,0,0,1|2,0,0]=4 7318 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)F 34a_200000718107_100000739188 [0,1,0,0,0,1|2,0,0]=4 7319 B17R1.1531 CC(CCCCl)OCCOc1cccc(c1)F 7a_200000718107_100000739188 [0,1,0,0,0,1|2,0,0]=4 7320 B17R1.1531 CCC#CC(C)OCCCc1cccc(c1)Br 34a_100000033903_100011713683 [0,1,0,0,0,1|1,0,1]=4 7321 B17R1.1531 CCC#CC(C)OCCCc1cccc(c1)Br 7a_100000033903_100011713683 [0,1,0,0,0,1|1,0,1]=4 7322 B17R1.1531 CCC#CC(C)OCCCc1cccc(c1)F 34a_100000033903_200000698031 [0,1,0,0,0,1|1,0,1]=4 7323 B17R1.1531 CCC#CC(C)OCCCc1cccc(c1)F 7a_100000033903_200000698031 [0,1,0,0,0,1|1,0,1]=4 7324 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)Br 34a_100000033903_100000183150 [0,1,0,0,0,1|1,0,1]=4 7325 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)Br 7a_100000033903_100000183150 [0,1,0,0,0,1|1,0,1]=4 7326 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)Cl 34a_100000033903_100000181161 [0,1,0,0,0,1|1,0,1]=4 7327 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)Cl 7a_100000033903_100000181161 [0,1,0,0,0,1|1,0,1]=4 7328 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)F 34a_100000033903_100000739188 [0,1,0,0,0,1|1,0,1]=4 7329 B17R1.1531 CCC#CC(C)OCCOc1cccc(c1)F 7a_100000033903_100000739188 [0,1,0,0,0,1|1,0,1]=4 7330 B17R1.1531 CCCCC(C)COCCc1cccc(c1)Br 34a_100011995851_100011740638 [0,1,0,0,0,1|1,0,0]=3 7331 B17R1.1531 CCCCC(C)COCCc1cccc(c1)Br 7a_100011995851_100011740638 [0,1,0,0,0,1|1,0,0]=3 7332 B17R1.1531 CCCCC(C)COCCc1cccc(c1)C 34a_100011995851_100011713685 [0,1,0,0,0,1|1,0,0]=3 7333 B17R1.1531 CCCCC(C)COCCc1cccc(c1)C 7a_100011995851_100011713685 [0,1,0,0,0,1|1,0,0]=3 7334 B17R1.1531 CCCCC(C)COCCc1cccc(c1)Cl 34a_100011995851_100011713710 [0,1,0,0,0,1|1,0,0]=3 7335 B17R1.1531 CCCCC(C)COCCc1cccc(c1)Cl 7a_100011995851_100011713710 [0,1,0,0,0,1|1,0,0]=3 7336 B17R1.1531 CCCCC(C)COCCc1cccc(c1)F 34a_100011995851_100011217235 [0,1,0,0,0,1|1,0,0]=3 7337 B17R1.1531 CCCCC(C)COCCc1cccc(c1)F 7a_100011995851_100011217235 [0,1,0,0,0,1|1,0,0]=3 7338 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Br 2230a_100000126638_100011713683 [0,1,0,0,0,1|2,0,0]=4 7339 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Br 2230a_100000753791_200011215066 [0,1,0,0,0,1|2,0,0]=4 7340 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Br 270004a_100000753791_100000210087 [0,1,0,0,0,1|2,0,0]=4 7341 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Br 34a_100000753791_200011215066 [0,1,0,0,0,1|2,0,0]=4 7342 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)C 2230a_103496528808_200011215066 [0,1,0,0,0,1|2,0,0]=4 7343 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)C 270004a_103496528808_100000210087 [0,1,0,0,0,1|2,0,0]=4 7344 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)C 34a_103496528808_200011215066 [0,1,0,0,0,1|2,0,0]=4 7345 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Cl 2230a_100000704586_200011215066 [0,1,0,0,0,1|2,0,0]=4 7346 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Cl 270004a_100000704586_100000210087 [0,1,0,0,0,1|2,0,0]=4 7347 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)Cl 34a_100000704586_200011215066 [0,1,0,0,0,1|2,0,0]=4 7348 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)F 2230a_100000126638_200000698031 [0,1,0,0,0,1|2,0,0]=4 7349 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)F 2230a_100000754185_200011215066 [0,1,0,0,0,1|2,0,0]=4 7350 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)F 270004a_100000754185_100000210087 [0,1,0,0,0,1|2,0,0]=4 7351 B17R1.1531 CCCCC(C)NCCCc1cccc(c1)F 34a_100000754185_200011215066 [0,1,0,0,0,1|2,0,0]=4 7352 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Br 2230a_100000126638_100000183150 [0,1,0,0,0,1|2,0,0]=4 7353 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Br 2230a_100000743521_200011215066 [0,1,0,0,0,1|2,0,0]=4 7354 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Br 270004a_100000743521_100000210087 [0,1,0,0,0,1|2,0,0]=4 7355 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Br 34a_100000743521_200011215066 [0,1,0,0,0,1|2,0,0]=4 7356 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)C 2230a_100015185188_200011215066 [0,1,0,0,0,1|2,0,0]=4 7357 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)C 270004a_100015185188_100000210087 [0,1,0,0,0,1|2,0,0]=4 7358 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)C 34a_100015185188_200011215066 [0,1,0,0,0,1|2,0,0]=4 7359 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Cl 2230a_100000126638_100000181161 [0,1,0,0,0,1|2,0,0]=4 7360 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Cl 2230a_100000740232_200011215066 [0,1,0,0,0,1|2,0,0]=4 7361 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Cl 270004a_100000740232_100000210087 [0,1,0,0,0,1|2,0,0]=4 7362 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)Cl 34a_100000740232_200011215066 [0,1,0,0,0,1|2,0,0]=4 7363 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)F 2230a_100000126638_100000739188 [0,1,0,0,0,1|2,0,0]=4 7364 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)F 2230a_100000738948_200011215066 [0,1,0,0,0,1|2,0,0]=4 7365 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)F 270004a_100000738948_100000210087 [0,1,0,0,0,1|2,0,0]=4 7366 B17R1.1531 CCCCC(C)NCCOc1cccc(c1)F 34a_100000738948_200011215066 [0,1,0,0,0,1|2,0,0]=4 7367 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Br 34a_100000687866_100010706776 [0,1,0,0,0,1|1,0,1]=4 7368 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Br 34a_100009814051_200011215066 [0,1,0,0,0,1|1,0,1]=4 7369 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Br 7a_100000687866_100010706776 [0,1,0,0,0,1|1,0,1]=4 7370 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Br 7a_100009814051_200011215066 [0,1,0,0,0,1|1,0,1]=4 7371 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Cl 34a_100011218842_200011215066 [0,1,0,0,0,1|1,0,1]=4 7372 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)Cl 7a_100011218842_200011215066 [0,1,0,0,0,1|1,0,1]=4 7373 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)F 34a_100000687866_100010402994 [0,1,0,0,0,1|1,0,1]=4 7374 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)F 34a_100011219115_200011215066 [0,1,0,0,0,1|1,0,1]=4 7375 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)F 7a_100000687866_100010402994 [0,1,0,0,0,1|1,0,1]=4 7376 B17R1.1531 CCCCC(C)OCC#Cc1cccc(c1)F 7a_100011219115_200011215066 [0,1,0,0,0,1|1,0,1]=4 7377 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Br 34a_100000687866_100011713683 [0,1,0,0,0,1|1,0,0]=3 7378 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Br 34a_100011709248_200011215066 [0,1,0,0,0,1|1,0,0]=3 7379 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Br 7a_100000687866_100011713683 [0,1,0,0,0,1|1,0,0]=3 7380 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Br 7a_100011709248_200011215066 [0,1,0,0,0,1|1,0,0]=3 7381 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Cl 34a_100011709246_200011215066 [0,1,0,0,0,1|1,0,0]=3 7382 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)Cl 7a_100011709246_200011215066 [0,1,0,0,0,1|1,0,0]=3 7383 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)F 34a_100000687866_200000698031 [0,1,0,0,0,1|1,0,0]=3 7384 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)F 7a_100000687866_200000698031 [0,1,0,0,0,1|1,0,0]=3 7385 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)N 34a_200000698965_200011215066 [0,1,0,0,0,1|1,0,0]=3 7386 B17R1.1531 CCCCC(C)OCCCc1cccc(c1)N 7a_200000698965_200011215066 [0,1,0,0,0,1|1,0,0]=3 7387 B17R1.1531 CCCCC(C)OCCCc1cccc(n1)C 34a_100000211354_200011215066 [0,1,0,0,0,1|2,0,0]=4 7388 B17R1.1531 CCCCC(C)OCCNc1cccc(n1)F 34a_200011432718_200011215066 [0,1,0,0,0,1|2,0,0]=4 7389 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Br 34a_100000687866_100000183150 [0,1,0,0,0,1|1,0,0]=3 7390 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Br 34a_100000757546_200011215066 [0,1,0,0,0,1|1,0,0]=3 7391 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Br 7a_100000687866_100000183150 [0,1,0,0,0,1|1,0,0]=3 7392 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Br 7a_100000757546_200011215066 [0,1,0,0,0,1|1,0,0]=3 7393 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)C 34a_200011215094_200011215066 [0,1,0,0,0,1|1,0,0]=3 7394 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)C 7a_200011215094_200011215066 [0,1,0,0,0,1|1,0,0]=3 7395 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Cl 34a_100000230539_200011215066 [0,1,0,0,0,1|1,0,0]=3 7396 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Cl 34a_100000687866_100000181161 [0,1,0,0,0,1|1,0,0]=3 7397 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Cl 7a_100000230539_200011215066 [0,1,0,0,0,1|1,0,0]=3 7398 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)Cl 7a_100000687866_100000181161 [0,1,0,0,0,1|1,0,0]=3 7399 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)F 34a_100000687866_100000739188 [0,1,0,0,0,1|1,0,0]=3 7400 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)F 7a_100000687866_100000739188 [0,1,0,0,0,1|1,0,0]=3 7401 B17R1.1531 CCCCC(C)OCCOc1cccc(c1)N 34a_100011232151_200011215066 [0,1,0,0,0,1|1,0,0]=3 7402 B17R1.1531 CCCCC(C)OCCSc1cccc(c1)C 34a_200011432187_200011215066 [0,1,0,0,0,1|1,0,0]=3 7403 B17R1.1531 CCCCC(C)OCCSc1cccc(c1)C 7a_200011432187_200011215066 [0,1,0,0,0,1|1,0,0]=3 7404 B17R1.1531 CCCCC(C)OCCSc1cccc(c1)F 34a_200011996949_200011215066 [0,1,0,0,0,1|1,0,0]=3 7405 B17R1.1531 CCCCC(C)OCCSc1cccc(c1)F 7a_200011996949_200011215066 [0,1,0,0,0,1|1,0,0]=3 7406 B17R1.1531 CCCCC(C)SCCOc1cccc(c1)F 62a_100000739188_200011215066 [0,1,0,0,0,1|1,1,0]=4 7407 B17R1.1531 CCCCC(C)SCCOc1cccc(c1)F 62a_200011215066_100000739188 [0,1,0,0,0,1|1,1,0]=4 7408 B17R1.1531 CCCC[C@H](N)COCCc1cccc(c1)Br 34a_100011934283_100011740638 [0,1,0,0,0,1|2,0,0]=4 7409 B17R1.1531 CCCC[C@H](N)COCCc1cccc(c1)C 34a_100011934283_100011713685 [0,1,0,0,0,1|2,0,0]=4 7410 B17R1.1531 CCCC[C@H](N)COCCc1cccc(c1)Cl 34a_100011934283_100011713710 [0,1,0,0,0,1|2,0,0]=4 7411 B17R1.1531 CCCC[C@H](N)COCCc1cccc(c1)F 34a_100011934283_100011217235 [0,1,0,0,0,1|2,0,0]=4 7412 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)Br 34a_100011217444_200011215008 [0,1,0,0,0,1|1,0,1]=4 7413 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)Br 7a_100011217444_200011215008 [0,1,0,0,0,1|1,0,1]=4 7414 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)C 34a_100011217157_200011215008 [0,1,0,0,0,1|1,0,1]=4 7415 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)C 7a_100011217157_200011215008 [0,1,0,0,0,1|1,0,1]=4 7416 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)Cl 34a_100000754733_200011215008 [0,1,0,0,0,1|1,0,1]=4 7417 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)Cl 7a_100000754733_200011215008 [0,1,0,0,0,1|1,0,1]=4 7418 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)F 34a_100000763591_200011215008 [0,1,0,0,0,1|1,0,1]=4 7419 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)F 7a_100000763591_200011215008 [0,1,0,0,0,1|1,0,1]=4 7420 B17R1.1531 CCCOC(=O)COCCc1cccc(c1)N 34a_100011996697_200011215008 [0,1,0,0,0,1|1,0,1]=4 7421 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)Br 34a_100000174977_200000139673 [0,1,0,0,0,1|1,0,1]=4 7422 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)C 34a_100000185548_200000139673 [0,1,0,0,0,1|1,0,1]=4 7423 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)Cl 34a_100000174878_200000139673 [0,1,0,0,0,1|1,0,1]=4 7424 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)F 34a_100000174948_200000139673 [0,1,0,0,0,1|1,0,1]=4 7425 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)I 34a_100000106179_200000139673 [0,1,0,0,0,1|1,0,1]=4 7426 B17R1.1531 CCCOC(=O)OCNCc1cccc(c1)O 34a_100000743036_200000139673 [0,1,0,0,0,1|1,0,1]=4 7427 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)Br 34a_100000687537_200000139673 [0,1,0,0,0,1|1,0,1]=4 7428 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)Br 7a_100000687537_200000139673 [0,1,0,0,0,1|1,0,1]=4 7429 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)C 34a_100011217746_200000139673 [0,1,0,0,0,1|1,0,1]=4 7430 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)C 7a_100011217746_200000139673 [0,1,0,0,0,1|1,0,1]=4 7431 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)Cl 34a_100000241301_200000139673 [0,1,0,0,0,1|1,0,1]=4 7432 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)Cl 7a_100000241301_200000139673 [0,1,0,0,0,1|1,0,1]=4 7433 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)F 34a_100000210976_200000139673 [0,1,0,0,0,1|1,0,1]=4 7434 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)F 7a_100000210976_200000139673 [0,1,0,0,0,1|1,0,1]=4 7435 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)I 34a_100011215336_200000139673 [0,1,0,0,0,1|1,0,1]=4 7436 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)I 7a_100011215336_200000139673 [0,1,0,0,0,1|1,0,1]=4 7437 B17R1.1531 CCCOC(=O)OCOCc1cccc(c1)N 34a_100000211919_200000139673 [0,1,0,0,0,1|1,0,1]=4 7438 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)Br 62a_100000211773_200000139673 [0,1,0,0,0,1|1,0,1]=4 7439 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)C 62a_100000211840_200000139673 [0,1,0,0,0,1|1,0,1]=4 7440 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)Cl 62a_100000187163_200000139673 [0,1,0,0,0,1|1,0,1]=4 7441 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)F 62a_100000230114_200000139673 [0,1,0,0,0,1|1,0,1]=4 7442 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)I 62a_100011218688_200000139673 [0,1,0,0,0,1|1,0,1]=4 7443 B17R1.1531 CCCOC(=O)OCSCc1cccc(c1)O 62a_100011660834_200000139673 [0,1,0,0,0,1|1,0,1]=4 7444 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)Br 2230a_100015185124_100011740638 [0,1,0,0,0,1|1,0,0]=3 7445 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)Br 34a_100015185124_100011740638 [0,1,0,0,0,1|1,0,0]=3 7446 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)C 2230a_100015185124_100011713685 [0,1,0,0,0,1|1,0,0]=3 7447 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)C 34a_100015185124_100011713685 [0,1,0,0,0,1|1,0,0]=3 7448 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)Cl 2230a_100015185124_100011713710 [0,1,0,0,0,1|1,0,0]=3 7449 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)Cl 34a_100015185124_100011713710 [0,1,0,0,0,1|1,0,0]=3 7450 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)F 2230a_100015185124_100011217235 [0,1,0,0,0,1|1,0,0]=3 7451 B17R1.1531 CCCOC(C)CNCCc1cccc(c1)F 34a_100015185124_100011217235 [0,1,0,0,0,1|1,0,0]=3 7452 B17R1.1531 CCOCC(C)OCCCc1cccc(c1)Br 34a_100000718985_100011713683 [0,1,0,0,0,1|2,0,0]=4 7453 B17R1.1531 CCOCC(C)OCCCc1cccc(c1)Br 7a_100000718985_100011713683 [0,1,0,0,0,1|2,0,0]=4 7454 B17R1.1531 CCOCC(C)OCCCc1cccc(c1)F 34a_100000718985_200000698031 [0,1,0,0,0,1|2,0,0]=4 7455 B17R1.1531 CCOCC(C)OCCCc1cccc(c1)F 7a_100000718985_200000698031 [0,1,0,0,0,1|2,0,0]=4 7456 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)Br 34a_100000718985_100000183150 [0,1,0,0,0,1|2,0,0]=4 7457 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)Br 7a_100000718985_100000183150 [0,1,0,0,0,1|2,0,0]=4 7458 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)Cl 34a_100000718985_100000181161 [0,1,0,0,0,1|2,0,0]=4 7459 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)Cl 7a_100000718985_100000181161 [0,1,0,0,0,1|2,0,0]=4 7460 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)F 34a_100000718985_100000739188 [0,1,0,0,0,1|2,0,0]=4 7461 B17R1.1531 CCOCC(C)OCCOc1cccc(c1)F 7a_100000718985_100000739188 [0,1,0,0,0,1|2,0,0]=4 7462 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)Br 34a_100016172286_100011740638 [0,1,0,0,0,1|1,0,0]=3 7463 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)Br 7a_100016172286_100011740638 [0,1,0,0,0,1|1,0,0]=3 7464 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)C 34a_100016172286_100011713685 [0,1,0,0,0,1|1,0,0]=3 7465 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)C 7a_100016172286_100011713685 [0,1,0,0,0,1|1,0,0]=3 7466 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)Cl 34a_100016172286_100011713710 [0,1,0,0,0,1|1,0,0]=3 7467 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)Cl 7a_100016172286_100011713710 [0,1,0,0,0,1|1,0,0]=3 7468 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)F 34a_100016172286_100011217235 [0,1,0,0,0,1|1,0,0]=3 7469 B17R1.1531 COCO[C@H](C)COCCc1cccc(c1)F 7a_100016172286_100011217235 [0,1,0,0,0,1|1,0,0]=3 7470 B17R1.1556 C#CCOC(C)COCC(C)c1ccccc1 34a_200000093152_100000756946 [0,1,0,0,0,1|0,0,2]=4 7471 B17R1.1556 C#CCOC(C)COCC(C)c1ccccc1 7a_200000093152_100000756946 [0,1,0,0,0,1|0,0,2]=4 7472 B17R1.1556 C#CCOC(C)COCC(O)c1ccccc1 34a_200000093152_100000185958 [0,1,0,0,0,1|0,0,2]=4 7473 B17R1.1556 C#CCOC(C)COCC(O)c1ccccc1 7a_200000093152_100000185958 [0,1,0,0,0,1|0,0,2]=4 7474 B17R1.1556 C#CCOC(C)COC[C@@H](O)c1ccccc1 34a_200000093152_100011933945 [0,1,0,0,0,1|0,0,2]=4 7475 B17R1.1556 C#CCOC(C)COC[C@@H](O)c1ccccc1 7a_200000093152_100011933945 [0,1,0,0,0,1|0,0,2]=4 7476 B17R1.1556 CC(CCCCl)OCCC(=O)c1ccccc1 7a_200000718107_100000750707 [0,1,0,0,0,1|2,0,0]=4 7477 B17R1.1556 CC(CCCCl)OCCS(=O)c1ccccc1 7a_200000718107_100000740319 [0,1,0,0,0,1|2,0,0]=4 7478 B17R1.1556 CC(CCCCl)OCC[C@@H](O)c1ccccc1 34a_200000718107_100000729684 [0,1,0,0,0,1|2,0,0]=4 7479 B17R1.1556 CC(CCCCl)OCC[C@@H](O)c1ccccc1 7a_200000718107_100000729684 [0,1,0,0,0,1|2,0,0]=4 7480 B17R1.1556 CCC#CC(C)OCCC(=O)c1ccccc1 7a_100000033903_100000750707 [0,1,0,0,0,1|1,0,1]=4 7481 B17R1.1556 CCC#CC(C)OCCS(=O)c1ccccc1 7a_100000033903_100000740319 [0,1,0,0,0,1|1,0,1]=4 7482 B17R1.1556 CCC#CC(C)OCC[C@@H](O)c1ccccc1 34a_100000033903_100000729684 [0,1,0,0,0,1|1,0,1]=4 7483 B17R1.1556 CCC#CC(C)OCC[C@@H](O)c1ccccc1 7a_100000033903_100000729684 [0,1,0,0,0,1|1,0,1]=4 7484 B17R1.1556 CCCCC(C)COCC(=O)c1ccccc1 7a_100011995851_100000211460 [0,1,0,0,0,1|1,0,1]=4 7485 B17R1.1556 CCCCC(C)COCC(C)c1ccccc1 34a_100011995851_100000756946 [0,1,0,0,0,1|1,0,0]=3 7486 B17R1.1556 CCCCC(C)COCC(C)c1ccccc1 7a_100011995851_100000756946 [0,1,0,0,0,1|1,0,0]=3 7487 B17R1.1556 CCCCC(C)COCC(O)c1ccccc1 34a_100011995851_100000185958 [0,1,0,0,0,1|1,0,0]=3 7488 B17R1.1556 CCCCC(C)COCC(O)c1ccccc1 7a_100011995851_100000185958 [0,1,0,0,0,1|1,0,0]=3 7489 B17R1.1556 CCCCC(C)COC[C@@H](O)c1ccccc1 34a_100011995851_100011933945 [0,1,0,0,0,1|1,0,0]=3 7490 B17R1.1556 CCCCC(C)COC[C@@H](O)c1ccccc1 7a_100011995851_100011933945 [0,1,0,0,0,1|1,0,0]=3 7491 B17R1.1556 CCCCC(C)NCCC(=O)c1ccccc1 2230a_100000126638_100000750707 [0,1,0,0,0,1|2,0,0]=4 7492 B17R1.1556 CCCCC(C)NCCC(C)c1ccccc1 270004a_100000126638_100000189432 [0,1,0,0,0,1|2,0,0]=4 7493 B17R1.1556 CCCCC(C)NCCC(O)c1ccccc1 2230a_100000763605_200011215066 [0,1,0,0,0,1|2,0,0]=4 7494 B17R1.1556 CCCCC(C)NCCC(O)c1ccccc1 270004a_100000763605_100000210087 [0,1,0,0,0,1|2,0,0]=4 7495 B17R1.1556 CCCCC(C)NCCN(C)c1ccccc1 270004a_100000231046_100000210087 [0,1,0,0,0,1|2,0,0]=4 7496 B17R1.1556 CCCCC(C)NCCS(=O)c1ccccc1 2230a_100000126638_100000740319 [0,1,0,0,0,1|2,0,0]=4 7497 B17R1.1556 CCCCC(C)NCC[C@@H](O)c1ccccc1 2230a_100000126638_100000729684 [0,1,0,0,0,1|2,0,0]=4 7498 B17R1.1556 CCCCC(C)OCCC(=O)c1ccccc1 7a_100000687866_100000750707 [0,1,0,0,0,1|1,0,0]=3 7499 B17R1.1556 CCCCC(C)OCCS(=O)c1ccccc1 7a_100000687866_100000740319 [0,1,0,0,0,1|1,0,0]=3 7500 B17R1.1556 CCCCC(C)OCC[C@@H](O)c1ccccc1 34a_100000687866_100000729684 [0,1,0,0,0,1|1,0,0]=3 7501 B17R1.1556 CCCCC(C)OCC[C@@H](O)c1ccccc1 7a_100000687866_100000729684 [0,1,0,0,0,1|1,0,0]=3 7502 B17R1.1556 CCCCC(C)OCC[C@H](N)c1ccccc1 34a_100025705951_200011215066 [0,1,0,0,0,1|1,0,0]=3 7503 B17R1.1556 CCCCC(C)OCOC(=O)c1ccccc1 7a_100000687866_100000073877 [0,1,0,0,0,1|1,0,1]=4 7504 B17R1.1556 CCCCC(C)SCCC(=O)c1ccccc1 62a_100000750707_200011215066 [0,1,0,0,0,1|1,1,0]=4 7505 B17R1.1556 CCCCC(C)SCCC(=O)c1ccccc1 62a_200011215066_100000750707 [0,1,0,0,0,1|1,1,0]=4 7506 B17R1.1556 CCCCC(C)SCCS(=O)c1ccccc1 62a_200011215066_100000740319 [0,1,0,0,0,1|1,1,0]=4 7507 B17R1.1556 CCCCC(C)SCC[C@@H](O)c1ccccc1 62a_100000729684_200011215066 [0,1,0,0,0,1|1,1,0]=4 7508 B17R1.1556 CCCCC(C)SCC[C@@H](O)c1ccccc1 62a_200011215066_100000729684 [0,1,0,0,0,1|1,1,0]=4 7509 B17R1.1556 CCCC[C@H](N)COCC(C)c1ccccc1 34a_100011934283_100000756946 [0,1,0,0,0,1|2,0,0]=4 7510 B17R1.1556 CCCC[C@H](N)COCC(O)c1ccccc1 34a_100011934283_100000185958 [0,1,0,0,0,1|2,0,0]=4 7511 B17R1.1556 CCCC[C@H](N)COC[C@@H](O)c1ccccc1 34a_100011934283_100011933945 [0,1,0,0,0,1|2,0,0]=4 7512 B17R1.1556 CCCOC(=O)COCC(C)c1ccccc1 34a_100011215166_200011215008 [0,1,0,0,0,1|1,0,1]=4 7513 B17R1.1556 CCCOC(=O)COCC(C)c1ccccc1 7a_100011215166_200011215008 [0,1,0,0,0,1|1,0,1]=4 7514 B17R1.1556 CCCOC(=O)COC[C@@H](N)c1ccccc1 34a_100000751927_200011215008 [0,1,0,0,0,1|1,0,1]=4 7515 B17R1.1556 CCCOC(=O)OCO[C@H](C)c1ccccc1 34a_100000761318_200000139673 [0,1,0,0,0,1|1,0,1]=4 7516 B17R1.1556 CCCOC(=O)OCO[C@H](C)c1ccccc1 7a_100000761318_200000139673 [0,1,0,0,0,1|1,0,1]=4 7517 B17R1.1556 CCCOC(=O)OCSC(C)c1ccccc1 62a_100000230085_200000139673 [0,1,0,0,0,1|1,0,1]=4 7518 B17R1.1556 CCCOC(C)CNCC(C)c1ccccc1 2230a_100015185124_100000756946 [0,1,0,0,0,1|1,0,0]=3 7519 B17R1.1556 CCCOC(C)CNCC(C)c1ccccc1 270004a_100015185124_100000212034 [0,1,0,0,0,1|1,0,0]=3 7520 B17R1.1556 CCCOC(C)CNCC(C)c1ccccc1 34a_100015185124_100000756946 [0,1,0,0,0,1|1,0,0]=3 7521 B17R1.1556 CCCOC(C)CNCC(O)c1ccccc1 2230a_100015185124_100000185958 [0,1,0,0,0,1|1,0,0]=3 7522 B17R1.1556 CCCOC(C)CNCC(O)c1ccccc1 34a_100015185124_100000185958 [0,1,0,0,0,1|1,0,0]=3 7523 B17R1.1556 CCCOC(C)CNC[C@@H](O)c1ccccc1 2230a_100015185124_100011933945 [0,1,0,0,0,1|1,0,0]=3 7524 B17R1.1556 CCCOC(C)CNC[C@@H](O)c1ccccc1 34a_100015185124_100011933945 [0,1,0,0,0,1|1,0,0]=3 7525 B17R1.1556 CCOCC(C)OCCC(=O)c1ccccc1 7a_100000718985_100000750707 [0,1,0,0,0,1|2,0,0]=4 7526 B17R1.1556 CCOCC(C)OCCS(=O)c1ccccc1 7a_100000718985_100000740319 [0,1,0,0,0,1|2,0,0]=4 7527 B17R1.1556 CCOCC(C)OCC[C@@H](O)c1ccccc1 34a_100000718985_100000729684 [0,1,0,0,0,1|2,0,0]=4 7528 B17R1.1556 CCOCC(C)OCC[C@@H](O)c1ccccc1 7a_100000718985_100000729684 [0,1,0,0,0,1|2,0,0]=4 7529 B17R1.1556 COCO[C@H](C)COCC(=O)c1ccccc1 7a_100016172286_100000211460 [0,1,0,0,0,1|1,0,1]=4 7530 B17R1.1556 COCO[C@H](C)COCC(C)c1ccccc1 34a_100016172286_100000756946 [0,1,0,0,0,1|1,0,0]=3 7531 B17R1.1556 COCO[C@H](C)COCC(C)c1ccccc1 7a_100016172286_100000756946 [0,1,0,0,0,1|1,0,0]=3 7532 B17R1.1556 COCO[C@H](C)COCC(O)c1ccccc1 34a_100016172286_100000185958 [0,1,0,0,0,1|1,0,0]=3 7533 B17R1.1556 COCO[C@H](C)COCC(O)c1ccccc1 7a_100016172286_100000185958 [0,1,0,0,0,1|1,0,0]=3 7534 B17R1.1556 COCO[C@H](C)COC[C@@H](O)c1ccccc1 34a_100016172286_100011933945 [0,1,0,0,0,1|1,0,0]=3 7535 B17R1.1556 COCO[C@H](C)COC[C@@H](O)c1ccccc1 7a_100016172286_100011933945 [0,1,0,0,0,1|1,0,0]=3 7536 B17R1.1561 C#CCOC(C)COC(C)Cc1ccccc1 34a_200000093152_200011218536 [0,1,0,0,0,1|0,0,2]=4 7537 B17R1.1561 C#CCOC(C)COC(C)Cc1ccccc1 7a_200000093152_200011218536 [0,1,0,0,0,1|0,0,2]=4 7538 B17R1.1561 CC(CCCCl)OCC(=O)Cc1ccccc1 7a_200000718107_100000233483 [0,1,0,0,0,1|2,0,0]=4 7539 B17R1.1561 CC(CCCCl)OC[C@@H](O)Cc1ccccc1 34a_200000718107_100000729385 [0,1,0,0,0,1|2,0,0]=4 7540 B17R1.1561 CC(CCCCl)OC[C@@H](O)Cc1ccccc1 7a_200000718107_100000729385 [0,1,0,0,0,1|2,0,0]=4 7541 B17R1.1561 CCC#CC(C)OCC(=O)Cc1ccccc1 7a_100000033903_100000233483 [0,1,0,0,0,1|1,0,1]=4 7542 B17R1.1561 CCC#CC(C)OC[C@@H](O)Cc1ccccc1 34a_100000033903_100000729385 [0,1,0,0,0,1|1,0,1]=4 7543 B17R1.1561 CCC#CC(C)OC[C@@H](O)Cc1ccccc1 7a_100000033903_100000729385 [0,1,0,0,0,1|1,0,1]=4 7544 B17R1.1561 CCCCC(C)CCC(=O)Cc1ccccc1 1458a_100000033779_100015291786 [0,1,0,0,0,1|2,0,0]=4 7545 B17R1.1561 CCCCC(C)COC(C)Cc1ccccc1 34a_100011995851_200011218536 [0,1,0,0,0,1|1,0,0]=3 7546 B17R1.1561 CCCCC(C)COC(C)Cc1ccccc1 7a_100011995851_200011218536 [0,1,0,0,0,1|1,0,0]=3 7547 B17R1.1561 CCCCC(C)NCC(=O)Cc1ccccc1 2230a_100000126638_100000233483 [0,1,0,0,0,1|2,0,0]=4 7548 B17R1.1561 CCCCC(C)NCC(C)Oc1ccccc1 2230a_100000755676_200011215066 [0,1,0,0,0,1|2,0,0]=4 7549 B17R1.1561 CCCCC(C)NCC(C)Oc1ccccc1 270004a_100000755676_100000210087 [0,1,0,0,0,1|2,0,0]=4 7550 B17R1.1561 CCCCC(C)NCC(C)Oc1ccccc1 34a_100000755676_200011215066 [0,1,0,0,0,1|2,0,0]=4 7551 B17R1.1561 CCCCC(C)NCC(O)Cc1ccccc1 2230a_100000752270_200011215066 [0,1,0,0,0,1|2,0,0]=4 7552 B17R1.1561 CCCCC(C)NCC(O)Cc1ccccc1 270004a_100000752270_100000210087 [0,1,0,0,0,1|2,0,0]=4 7553 B17R1.1561 CCCCC(C)NC[C@@H](O)Cc1ccccc1 2230a_100000126638_100000729385 [0,1,0,0,0,1|2,0,0]=4 7554 B17R1.1561 CCCCC(C)OC/C(=C/c1ccccc1)/C 34a_200025717232_200011215066 [0,1,0,0,0,1|1,0,1]=4 7555 B17R1.1561 CCCCC(C)OC/C(=C/c1ccccc1)/C 7a_200025717232_200011215066 [0,1,0,0,0,1|1,0,1]=4 7556 B17R1.1561 CCCCC(C)OCC(=O)Cc1ccccc1 7a_100000687866_100000233483 [0,1,0,0,0,1|1,0,0]=3 7557 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 34a_100000246334_200011215066 [0,1,0,0,0,1|1,0,1]=4 7558 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 34a_100000687866_100000182850 [0,1,0,0,0,1|1,0,1]=4 7559 B17R1.1561 CCCCC(C)OCC(=O)Nc1ccccc1 7a_100000687866_100000182850 [0,1,0,0,0,1|1,0,1]=4 7560 B17R1.1561 CCCCC(C)OCC(=O)Oc1ccccc1 34a_100000687866_100009813826 [0,1,0,0,0,1|1,0,1]=4 7561 B17R1.1561 CCCCC(C)OCC(=O)Oc1ccccc1 7a_100000687866_100009813826 [0,1,0,0,0,1|1,0,1]=4 7562 B17R1.1561 CCCCC(C)OCC(C)Cc1ccccc1 34a_100012125295_200011215066 [0,1,0,0,0,1|1,0,0]=3 7563 B17R1.1561 CCCCC(C)OCC(C)Cc1ccccc1 7a_100012125295_200011215066 [0,1,0,0,0,1|1,0,0]=3 7564 B17R1.1561 CCCCC(C)OCC(C)Oc1ccccc1 34a_200000036796_200011215066 [0,1,0,0,0,1|1,0,0]=3 7565 B17R1.1561 CCCCC(C)OCC(C)Oc1ccccc1 7a_200000036796_200011215066 [0,1,0,0,0,1|1,0,0]=3 7566 B17R1.1561 CCCCC(C)OCC(N)Cc1ccccc1 34a_100000739027_200011215066 [0,1,0,0,0,1|1,0,0]=3 7567 B17R1.1561 CCCCC(C)OC[C@@H](O)Cc1ccccc1 34a_100000687866_100000729385 [0,1,0,0,0,1|1,0,0]=3 7568 B17R1.1561 CCCCC(C)OC[C@@H](O)Cc1ccccc1 7a_100000687866_100000729385 [0,1,0,0,0,1|1,0,0]=3 7569 B17R1.1561 CCCCC(C)SCC(=O)Cc1ccccc1 62a_100000233483_200011215066 [0,1,0,0,0,1|1,1,0]=4 7570 B17R1.1561 CCCCC(C)SCC(=O)Cc1ccccc1 62a_200011215066_100000233483 [0,1,0,0,0,1|1,1,0]=4 7571 B17R1.1561 CCCCC(C)SC[C@@H](O)Cc1ccccc1 62a_100000729385_200011215066 [0,1,0,0,0,1|1,1,0]=4 7572 B17R1.1561 CCCCC(C)SC[C@@H](O)Cc1ccccc1 62a_200011215066_100000729385 [0,1,0,0,0,1|1,1,0]=4 7573 B17R1.1561 CCCC[C@H](N)COC(C)Cc1ccccc1 34a_100011934283_200011218536 [0,1,0,0,0,1|2,0,0]=4 7574 B17R1.1561 CCCNC(C)CCN(C)Cc1ccccc1 270004a_100020643023_100000177487 [0,1,0,0,0,1|2,0,0]=4 7575 B17R1.1561 CCCOC(=O)COC(C)Cc1ccccc1 34a_100000748627_200011215008 [0,1,0,0,0,1|1,0,1]=4 7576 B17R1.1561 CCCOC(=O)COC(C)Cc1ccccc1 7a_100000748627_200011215008 [0,1,0,0,0,1|1,0,1]=4 7577 B17R1.1561 CCCOC(=O)OCN(C)Cc1ccccc1 269982a_100000186898_200000139673 [0,1,0,0,0,1|1,0,1]=4 7578 B17R1.1561 CCCOC(C)CNC(C)C[n+]1ccccc1 270004a_100015185124_100000034229 [0,1,0,0,0,1|2,0,0]=4 7579 B17R1.1561 CCCOC(C)CNC(C)Cc1ccccc1 34a_100015185124_200011218536 [0,1,0,0,0,1|1,0,0]=3 7580 B17R1.1561 CCCOC(C)CNC(C)Cc1cccnc1 270004a_100015185124_100015187140 [0,1,0,0,0,1|2,0,0]=4 7581 B17R1.1561 CCCOC(C)CNC(C)Cc1ccncc1 270004a_100015185124_100000238508 [0,1,0,0,0,1|2,0,0]=4 7582 B17R1.1561 CCOCC(C)OCC(=O)Cc1ccccc1 7a_100000718985_100000233483 [0,1,0,0,0,1|2,0,0]=4 7583 B17R1.1561 CCOCC(C)OC[C@@H](O)Cc1ccccc1 34a_100000718985_100000729385 [0,1,0,0,0,1|2,0,0]=4 7584 B17R1.1561 CCOCC(C)OC[C@@H](O)Cc1ccccc1 7a_100000718985_100000729385 [0,1,0,0,0,1|2,0,0]=4 7585 B17R1.1561 COCO[C@H](C)COC(C)Cc1ccccc1 34a_100016172286_200011218536 [0,1,0,0,0,1|1,0,0]=3 7586 B17R1.1561 COCO[C@H](C)COC(C)Cc1ccccc1 7a_100016172286_200011218536 [0,1,0,0,0,1|1,0,0]=3 7587 B17R1.1854 C#CCOCC(C)OCCCc1ccccc1 34a_100011025554_100000211621 [0,1,0,0,0,1|0,0,2]=4 7588 B17R1.1854 C#CCOCC(C)OCCCc1ccccc1 7a_100011025554_100000211621 [0,1,0,0,0,1|0,0,2]=4 7589 B17R1.1854 C#CCOCC(C)OCCOc1ccccc1 34a_100011025554_100000184471 [0,1,0,0,0,1|0,0,2]=4 7590 B17R1.1854 C#CCOCC(C)OCCOc1ccccc1 7a_100011025554_100000184471 [0,1,0,0,0,1|0,0,2]=4 7591 B17R1.1854 C#CCOCC(C)OCCSc1ccccc1 34a_100011025554_100000246102 [0,1,0,0,0,1|0,0,2]=4 7592 B17R1.1854 C#CCOCC(C)OCCSc1ccccc1 7a_100011025554_100000246102 [0,1,0,0,0,1|0,0,2]=4 7593 B17R1.1854 C#CCOCC(C)OCOCc1ccccc1 34a_100011025554_100000763385 [0,1,0,0,0,1|0,0,2]=4 7594 B17R1.1854 C#CCOCC(C)OCSCc1ccccc1 34a_100011025554_200011217039 [0,1,0,0,0,1|0,0,2]=4 7595 B17R1.1854 CC(CCCCc1ccccc1)NCCCF 270004a_100015189416_200011485782 [0,1,0,0,0,1|2,0,0]=4 7596 B17R1.1854 CC(CCCCc1ccccc1)NCCCO 270004a_100000182051_200011485782 [0,1,0,0,0,1|2,0,0]=4 7597 B17R1.1854 CC(CCOCc1ccccc1)NCCCF 270004a_100015189416_100011219826 [0,1,0,0,0,1|2,0,0]=4 7598 B17R1.1854 CC(CCOCc1ccccc1)NCCCO 270004a_100000182051_100011219826 [0,1,0,0,0,1|2,0,0]=4 7599 B17R1.1854 CCC#CCC(C)OCCCc1ccccc1 34a_200000035118_100000211621 [0,1,0,0,0,1|1,0,1]=4 7600 B17R1.1854 CCC#CCC(C)OCCCc1ccccc1 7a_200000035118_100000211621 [0,1,0,0,0,1|1,0,1]=4 7601 B17R1.1854 CCC#CCC(C)OCCOc1ccccc1 34a_200000035118_100000184471 [0,1,0,0,0,1|1,0,1]=4 7602 B17R1.1854 CCC#CCC(C)OCCOc1ccccc1 7a_200000035118_100000184471 [0,1,0,0,0,1|1,0,1]=4 7603 B17R1.1854 CCC#CCC(C)OCCSc1ccccc1 34a_200000035118_100000246102 [0,1,0,0,0,1|1,0,1]=4 7604 B17R1.1854 CCC#CCC(C)OCCSc1ccccc1 7a_200000035118_100000246102 [0,1,0,0,0,1|1,0,1]=4 7605 B17R1.1854 CCC#CCC(C)OCOCc1ccccc1 34a_200000035118_100000763385 [0,1,0,0,0,1|1,0,1]=4 7606 B17R1.1854 CCC#CCC(C)OCSCc1ccccc1 34a_200000035118_200011217039 [0,1,0,0,0,1|1,0,1]=4 7607 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 2230a_100000211184_200011218191 [0,1,0,0,0,1|2,0,0]=4 7608 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 2230a_100000211957_100000211621 [0,1,0,0,0,1|2,0,0]=4 7609 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 270004a_100000211184_100000211708 [0,1,0,0,0,1|2,0,0]=4 7610 B17R1.1854 CCCCCC(C)NCCCc1ccccc1 34a_100000211184_200011218191 [0,1,0,0,0,1|2,0,0]=4 7611 B17R1.1854 CCCCCC(C)NCCOc1ccccc1 2230a_100000174943_200011218191 [0,1,0,0,0,1|2,0,0]=4 7612 B17R1.1854 CCCCCC(C)NCCOc1ccccc1 2230a_100000211957_100000184471 [0,1,0,0,0,1|2,0,0]=4 7613 B17R1.1854 CCCCCC(C)NCCOc1ccccc1 270004a_100000174943_100000211708 [0,1,0,0,0,1|2,0,0]=4 7614 B17R1.1854 CCCCCC(C)NCCOc1ccccc1 270004a_100000211957_100000758736 [0,1,0,0,0,1|2,0,0]=4 7615 B17R1.1854 CCCCCC(C)NCCOc1ccccc1 34a_100000174943_200011218191 [0,1,0,0,0,1|2,0,0]=4 7616 B17R1.1854 CCCCCC(C)NCCSc1ccccc1 2230a_100000189519_200011218191 [0,1,0,0,0,1|2,0,0]=4 7617 B17R1.1854 CCCCCC(C)NCCSc1ccccc1 2230a_100000211957_100000246102 [0,1,0,0,0,1|2,0,0]=4 7618 B17R1.1854 CCCCCC(C)NCCSc1ccccc1 270004a_100000189519_100000211708 [0,1,0,0,0,1|2,0,0]=4 7619 B17R1.1854 CCCCCC(C)NCOCc1ccccc1 2230a_100000211957_100000763385 [0,1,0,0,0,1|2,0,0]=4 7620 B17R1.1854 CCCCCC(C)NCSCc1ccccc1 2230a_100000211957_200011217039 [0,1,0,0,0,1|2,0,0]=4 7621 B17R1.1854 CCCCCC(C)OC/C=C/c1ccccc1 34a_100000210256_200011218191 [0,1,0,0,0,1|1,0,1]=4 7622 B17R1.1854 CCCCCC(C)OC/C=C/c1ccccc1 34a_100011215632_100016265936 [0,1,0,0,0,1|1,0,1]=4 7623 B17R1.1854 CCCCCC(C)OC/C=C/c1ccccc1 7a_100011215632_100016265936 [0,1,0,0,0,1|1,0,1]=4 7624 B17R1.1854 CCCCCC(C)OCC#Cc1ccccc1 34a_100011215632_100011352542 [0,1,0,0,0,1|1,0,1]=4 7625 B17R1.1854 CCCCCC(C)OCC#Cc1ccccc1 34a_100011217464_200011218191 [0,1,0,0,0,1|1,0,1]=4 7626 B17R1.1854 CCCCCC(C)OCC#Cc1ccccc1 7a_100011215632_100011352542 [0,1,0,0,0,1|1,0,1]=4 7627 B17R1.1854 CCCCCC(C)OCC#Cc1ccccc1 7a_100011217464_200011218191 [0,1,0,0,0,1|1,0,1]=4 7628 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 34a_100000210828_200011218191 [0,1,0,0,0,1|1,0,0]=3 7629 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 34a_100011215632_100000211621 [0,1,0,0,0,1|1,0,0]=3 7630 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 7a_100000210828_200011218191 [0,1,0,0,0,1|1,0,0]=3 7631 B17R1.1854 CCCCCC(C)OCCCc1ccccc1 7a_100011215632_100000211621 [0,1,0,0,0,1|1,0,0]=3 7632 B17R1.1854 CCCCCC(C)OCCCc1ccccn1 34a_100011215068_200011218191 [0,1,0,0,0,1|2,0,0]=4 7633 B17R1.1854 CCCCCC(C)OCCCc1cccnc1 34a_100000211284_200011218191 [0,1,0,0,0,1|2,0,0]=4 7634 B17R1.1854 CCCCCC(C)OCCCc1ccncc1 34a_100000210659_200011218191 [0,1,0,0,0,1|2,0,0]=4 7635 B17R1.1854 CCCCCC(C)OCCNc1ccccc1 34a_100000211345_200011218191 [0,1,0,0,0,1|1,0,0]=3 7636 B17R1.1854 CCCCCC(C)OCCNc1ccncc1 34a_200011243140_200011218191 [0,1,0,0,0,1|2,0,0]=4 7637 B17R1.1854 CCCCCC(C)OCCOc1ccccc1 34a_100000210260_200011218191 [0,1,0,0,0,1|1,0,0]=3 7638 B17R1.1854 CCCCCC(C)OCCOc1ccccc1 34a_100011215632_100000184471 [0,1,0,0,0,1|1,0,0]=3 7639 B17R1.1854 CCCCCC(C)OCCOc1ccccc1 7a_100000210260_200011218191 [0,1,0,0,0,1|1,0,0]=3 7640 B17R1.1854 CCCCCC(C)OCCOc1ccccc1 7a_100011215632_100000184471 [0,1,0,0,0,1|1,0,0]=3 7641 B17R1.1854 CCCCCC(C)OCCSc1ccccc1 34a_100011215632_100000246102 [0,1,0,0,0,1|1,0,0]=3 7642 B17R1.1854 CCCCCC(C)OCCSc1ccccc1 7a_100000230494_200011218191 [0,1,0,0,0,1|1,0,0]=3 7643 B17R1.1854 CCCCCC(C)OCCSc1ccccc1 7a_100011215632_100000246102 [0,1,0,0,0,1|1,0,0]=3 7644 B17R1.1854 CCCCCC(C)OCCSc1ccccn1 7a_100000156319_200011218191 [0,1,0,0,0,1|2,0,0]=4 7645 B17R1.1854 CCCCCC(C)OCOCc1ccccc1 34a_100011215632_100000763385 [0,1,0,0,0,1|1,0,0]=3 7646 B17R1.1854 CCCCCC(C)OCSCc1ccccc1 34a_100011215632_200011217039 [0,1,0,0,0,1|1,0,0]=3 7647 B17R1.1854 CCCCCC(C)SCCOc1ccccc1 62a_100000184471_200011218191 [0,1,0,0,0,1|1,1,0]=4 7648 B17R1.1854 CCCCCC(C)SCCOc1ccccc1 62a_200011218191_100000184471 [0,1,0,0,0,1|1,1,0]=4 7649 B17R1.1854 CCCCCC(C)SCOCc1ccccc1 62a_100000763385_200011218191 [0,1,0,0,0,1|1,1,0]=4 7650 B17R1.1854 CCCCCC(C)SCOCc1ccccc1 62a_200011218191_100000763385 [0,1,0,0,0,1|1,1,0]=4 7651 B17R1.1854 CCCCNC(C)CCCCc1ccccc1 270004a_100000102301_200011485782 [0,1,0,0,0,1|2,0,0]=4 7652 B17R1.1854 CCCCNC(C)CCOCc1ccccc1 270004a_100000102301_100011219826 [0,1,0,0,0,1|2,0,0]=4 7653 B17R1.1854 CCCCOC(=O)COCCc1ccccc1 34a_100000210268_100000211628 [0,1,0,0,0,1|1,0,1]=4 7654 B17R1.1854 CCCCOC(=O)COCCc1ccccc1 7a_100000210268_100000211628 [0,1,0,0,0,1|1,0,1]=4 7655 B17R1.1854 CCCSCC(C)NCCCc1ccccc1 270004a_100000211184_100011343953 [0,1,0,0,0,1|1,1,0]=4 7656 B17R1.1854 CCCSCC(C)NCCOc1ccccc1 270004a_100000174943_100011343953 [0,1,0,0,0,1|1,1,0]=4 7657 B17R1.1854 CCCSCC(C)NCCSc1ccccc1 270004a_100000189519_100011343953 [0,1,0,0,0,1|1,1,0]=4 7658 B17R1.1854 CCOCCC(C)NCCCc1ccccc1 270004a_100000211184_200011216536 [0,1,0,0,0,1|2,0,0]=4 7659 B17R1.1854 CCOCCC(C)NCCOc1ccccc1 270004a_100000174943_200011216536 [0,1,0,0,0,1|2,0,0]=4 7660 B17R1.1854 CCOCCC(C)NCCSc1ccccc1 270004a_100000189519_200011216536 [0,1,0,0,0,1|2,0,0]=4 7661 B17R1.1854 COCCCC(C)OC/C=C/c1ccccc1 34a_200011539412_100016265936 [0,1,0,0,0,1|1,0,1]=4 7662 B17R1.1854 COCCCC(C)OC/C=C/c1ccccc1 7a_200011539412_100016265936 [0,1,0,0,0,1|1,0,1]=4 7663 B17R1.1854 COCCCC(C)OCC#Cc1ccccc1 34a_200011539412_100011352542 [0,1,0,0,0,1|1,0,1]=4 7664 B17R1.1854 COCCCC(C)OCC#Cc1ccccc1 7a_200011539412_100011352542 [0,1,0,0,0,1|1,0,1]=4 7665 B17R1.1854 COCCCC(C)OCCCc1ccccc1 34a_200011539412_100000211621 [0,1,0,0,0,1|1,0,0]=3 7666 B17R1.1854 COCCCC(C)OCCCc1ccccc1 7a_200011539412_100000211621 [0,1,0,0,0,1|1,0,0]=3 7667 B17R1.1854 COCCCC(C)OCCOc1ccccc1 34a_200011539412_100000184471 [0,1,0,0,0,1|1,0,0]=3 7668 B17R1.1854 COCCCC(C)OCCOc1ccccc1 7a_200011539412_100000184471 [0,1,0,0,0,1|1,0,0]=3 7669 B17R1.1854 COCCCC(C)OCCSc1ccccc1 34a_200011539412_100000246102 [0,1,0,0,0,1|1,0,0]=3 7670 B17R1.1854 COCCCC(C)OCCSc1ccccc1 7a_200011539412_100000246102 [0,1,0,0,0,1|1,0,0]=3 7671 B17R1.1854 COCCCC(C)OCOCc1ccccc1 34a_200011539412_100000763385 [0,1,0,0,0,1|1,0,0]=3 7672 B17R1.1854 COCCCC(C)OCSCc1ccccc1 34a_200011539412_200011217039 [0,1,0,0,0,1|1,0,0]=3 7673 B17R1.1854 COCCNC(C)CCCCc1ccccc1 270004a_100000209980_200011485782 [0,1,0,0,0,1|2,0,0]=4 7674 B17R1.1854 COCCNC(C)CCOCc1ccccc1 270004a_100000209980_100011219826 [0,1,0,0,0,1|2,0,0]=4 7675 B17R1.1854 COCCOC(=O)COCCc1ccccc1 34a_100000210268_200000040189 [0,1,0,0,0,1|1,0,1]=4 7676 B17R1.1854 COCCOC(=O)COCCc1ccccc1 7a_100000210268_200000040189 [0,1,0,0,0,1|1,0,1]=4 7677 B17R1.1854 CSCCCC(C)NCCCc1ccccc1 270004a_100000211184_100011399439 [0,1,0,0,0,1|2,0,0]=4 7678 B17R1.1854 CSCCCC(C)NCCOc1ccccc1 270004a_100000174943_100011399439 [0,1,0,0,0,1|2,0,0]=4 7679 B17R1.1854 CSCCCC(C)NCCSc1ccccc1 270004a_100000189519_100011399439 [0,1,0,0,0,1|2,0,0]=4 7680 B17R1.1854 CSCCNC(C)CCCCc1ccccc1 270004a_100020590264_200011485782 [0,1,0,0,0,1|2,0,0]=4 7681 B17R1.1854 CSCCNC(C)CCOCc1ccccc1 270004a_100020590264_100011219826 [0,1,0,0,0,1|2,0,0]=4 7682 B17R1.1854 NCCCC[C@H](N)COCCc1ccccc1 34a_100016993712_100000765856 [0,1,0,0,0,1|2,0,0]=4 7683 B17R1.4049 C#CC(CCCC)OCCCc1ccccc1 34a_200011217967_100000211621 [0,1,0,0,0,1|1,0,1]=4 7684 B17R1.4049 C#CC(CCCC)OCCCc1ccccc1 7a_200011217967_100000211621 [0,1,0,0,0,1|1,0,1]=4 7685 B17R1.4049 C#CC(CCCC)OCCOc1ccccc1 34a_200011217967_100000184471 [0,1,0,0,0,1|1,0,1]=4 7686 B17R1.4049 C#CC(CCCC)OCCOc1ccccc1 7a_200011217967_100000184471 [0,1,0,0,0,1|1,0,1]=4 7687 B17R1.4049 C#CC(CCCC)OCCSc1ccccc1 34a_200011217967_100000246102 [0,1,0,0,0,1|1,0,1]=4 7688 B17R1.4049 C#CC(CCCC)OCCSc1ccccc1 7a_200011217967_100000246102 [0,1,0,0,0,1|1,0,1]=4 7689 B17R1.4049 C#CC(CCCC)OCOCc1ccccc1 34a_200011217967_100000763385 [0,1,0,0,0,1|1,0,1]=4 7690 B17R1.4049 C#CC(CCCC)OCSCc1ccccc1 34a_200011217967_200011217039 [0,1,0,0,0,1|1,0,1]=4 7691 B17R1.4049 C=CC(CCCC)OCCCc1ccccc1 34a_200011215037_100000211621 [0,1,0,0,0,1|1,0,1]=4 7692 B17R1.4049 C=CC(CCCC)OCCCc1ccccc1 7a_200011215037_100000211621 [0,1,0,0,0,1|1,0,1]=4 7693 B17R1.4049 C=CC(CCCC)OCCOc1ccccc1 34a_200011215037_100000184471 [0,1,0,0,0,1|1,0,1]=4 7694 B17R1.4049 C=CC(CCCC)OCCOc1ccccc1 7a_200011215037_100000184471 [0,1,0,0,0,1|1,0,1]=4 7695 B17R1.4049 C=CC(CCCC)OCCSc1ccccc1 34a_200011215037_100000246102 [0,1,0,0,0,1|1,0,1]=4 7696 B17R1.4049 C=CC(CCCC)OCCSc1ccccc1 7a_200011215037_100000246102 [0,1,0,0,0,1|1,0,1]=4 7697 B17R1.4049 C=CC(CCCC)OCOCc1ccccc1 34a_200011215037_100000763385 [0,1,0,0,0,1|1,0,1]=4 7698 B17R1.4049 C=CC(CCCC)OCSCc1ccccc1 34a_200011215037_200011217039 [0,1,0,0,0,1|1,0,1]=4 7699 B17R1.4049 CCC/C=C(\CC)/COCCc1ccccc1 34a_200015372368_100000765856 [0,1,0,0,0,1|1,0,1]=4 7700 B17R1.4049 CCC/C=C(\CC)/COCCc1ccccc1 7a_200015372368_100000765856 [0,1,0,0,0,1|1,0,1]=4 7701 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 2230a_100000106460_100000211942 [0,1,0,0,0,1|2,0,0]=4 7702 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 2230a_100000209976_100000765856 [0,1,0,0,0,1|2,0,0]=4 7703 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 269862a_100000106460_100011219736 [0,1,0,0,0,1|2,0,0]=4 7704 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 270004a_100000106460_100011219736 [0,1,0,0,0,1|2,0,0]=4 7705 B17R1.4049 CCCCC(CC)CNCCc1ccccc1 34a_100000106460_100000211942 [0,1,0,0,0,1|2,0,0]=4 7706 B17R1.4049 CCCCC(CC)COCCc1ccccc1 34a_100000210268_100000211942 [0,1,0,0,0,1|1,0,0]=3 7707 B17R1.4049 CCCCC(CC)COCCc1ccccc1 34a_100000210273_100000765856 [0,1,0,0,0,1|1,0,0]=3 7708 B17R1.4049 CCCCC(CC)COCCc1ccccc1 7a_100000210268_100000211942 [0,1,0,0,0,1|1,0,0]=3 7709 B17R1.4049 CCCCC(CC)COCCc1ccccc1 7a_100000210273_100000765856 [0,1,0,0,0,1|1,0,0]=3 7710 B17R1.4049 CCCCC(CC)COCCc1ccccn1 34a_100000210271_100000211942 [0,1,0,0,0,1|2,0,0]=4 7711 B17R1.4049 CCCCC(CC)COCCc1ccccn1 7a_100000210273_100015183660 [0,1,0,0,0,1|2,0,0]=4 7712 B17R1.4049 CCCCC(CC)COCCc1cccnc1 34a_100011217484_100000211942 [0,1,0,0,0,1|2,0,0]=4 7713 B17R1.4049 CCCCC(CC)COCCc1cccnc1 7a_100000210273_200011713674 [0,1,0,0,0,1|2,0,0]=4 7714 B17R1.4049 CCCCC(CC)COCCc1ccncc1 34a_100011216225_100000211942 [0,1,0,0,0,1|2,0,0]=4 7715 B17R1.4049 CCCCC(CC)COCCc1ccncc1 7a_100000210273_100000723409 [0,1,0,0,0,1|2,0,0]=4 7716 B17R1.4049 CCCCC(CC)NCCCc1ccccc1 270004a_100000211184_100000753412 [0,1,0,0,0,1|2,0,0]=4 7717 B17R1.4049 CCCCC(CC)NCCCc1ccccc1 34a_100000211184_200011216223 [0,1,0,0,0,1|2,0,0]=4 7718 B17R1.4049 CCCCC(CC)NCCOc1ccccc1 270004a_100000174943_100000753412 [0,1,0,0,0,1|2,0,0]=4 7719 B17R1.4049 CCCCC(CC)NCCOc1ccccc1 34a_100000174943_200011216223 [0,1,0,0,0,1|2,0,0]=4 7720 B17R1.4049 CCCCC(CC)NCCSc1ccccc1 270004a_100000189519_100000753412 [0,1,0,0,0,1|2,0,0]=4 7721 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 34a_100000210256_200011216223 [0,1,0,0,0,1|1,0,1]=4 7722 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 34a_100011215227_100016265936 [0,1,0,0,0,1|1,0,1]=4 7723 B17R1.4049 CCCCC(CC)OC/C=C/c1ccccc1 7a_100011215227_100016265936 [0,1,0,0,0,1|1,0,1]=4 7724 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 34a_100011215227_100011352542 [0,1,0,0,0,1|1,0,1]=4 7725 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 34a_100011217464_200011216223 [0,1,0,0,0,1|1,0,1]=4 7726 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 7a_100011215227_100011352542 [0,1,0,0,0,1|1,0,1]=4 7727 B17R1.4049 CCCCC(CC)OCC#Cc1ccccc1 7a_100011217464_200011216223 [0,1,0,0,0,1|1,0,1]=4 7728 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 34a_100000210828_200011216223 [0,1,0,0,0,1|1,0,0]=3 7729 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 34a_100011215227_100000211621 [0,1,0,0,0,1|1,0,0]=3 7730 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 7a_100000210828_200011216223 [0,1,0,0,0,1|1,0,0]=3 7731 B17R1.4049 CCCCC(CC)OCCCc1ccccc1 7a_100011215227_100000211621 [0,1,0,0,0,1|1,0,0]=3 7732 B17R1.4049 CCCCC(CC)OCCCc1ccccn1 34a_100011215068_200011216223 [0,1,0,0,0,1|2,0,0]=4 7733 B17R1.4049 CCCCC(CC)OCCCc1cccnc1 34a_100000211284_200011216223 [0,1,0,0,0,1|2,0,0]=4 7734 B17R1.4049 CCCCC(CC)OCCCc1ccncc1 34a_100000210659_200011216223 [0,1,0,0,0,1|2,0,0]=4 7735 B17R1.4049 CCCCC(CC)OCCNc1ccccc1 34a_100000211345_200011216223 [0,1,0,0,0,1|1,0,0]=3 7736 B17R1.4049 CCCCC(CC)OCCNc1ccncc1 34a_200011243140_200011216223 [0,1,0,0,0,1|2,0,0]=4 7737 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 34a_100000210260_200011216223 [0,1,0,0,0,1|1,0,0]=3 7738 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 34a_100011215227_100000184471 [0,1,0,0,0,1|1,0,0]=3 7739 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 7a_100000210260_200011216223 [0,1,0,0,0,1|1,0,0]=3 7740 B17R1.4049 CCCCC(CC)OCCOc1ccccc1 7a_100011215227_100000184471 [0,1,0,0,0,1|1,0,0]=3 7741 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 34a_100011215227_100000246102 [0,1,0,0,0,1|1,0,0]=3 7742 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 7a_100000230494_200011216223 [0,1,0,0,0,1|1,0,0]=3 7743 B17R1.4049 CCCCC(CC)OCCSc1ccccc1 7a_100011215227_100000246102 [0,1,0,0,0,1|1,0,0]=3 7744 B17R1.4049 CCCCC(CC)OCCSc1ccccn1 7a_100000156319_200011216223 [0,1,0,0,0,1|2,0,0]=4 7745 B17R1.4049 CCCCC(CC)OCOCc1ccccc1 34a_100011215227_100000763385 [0,1,0,0,0,1|1,0,0]=3 7746 B17R1.4049 CCCCC(CC)OCSCc1ccccc1 34a_100011215227_200011217039 [0,1,0,0,0,1|1,0,0]=3 7747 B17R1.4049 CCCCC(CC)SCCOc1ccccc1 62a_100000184471_200011216223 [0,1,0,0,0,1|1,1,0]=4 7748 B17R1.4049 CCCCC(CC)SCCOc1ccccc1 62a_200011216223_100000184471 [0,1,0,0,0,1|1,1,0]=4 7749 B17R1.4049 CCCCC(CC)SCOCc1ccccc1 62a_100000763385_200011216223 [0,1,0,0,0,1|1,1,0]=4 7750 B17R1.4049 CCCCC(CC)SCOCc1ccccc1 62a_200011216223_100000763385 [0,1,0,0,0,1|1,1,0]=4 7751 B17R1.4049 CCCC[C@@H](CO)NCCCc1ccccc1 2230a_100011934283_100000211621 [0,1,0,0,0,1|2,0,0]=4 7752 B17R1.4049 CCCC[C@@H](CO)NCCCc1ccccc1 34a_100011934283_100000211621 [0,1,0,0,0,1|2,0,0]=4 7753 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 2230a_100011934283_100000184471 [0,1,0,0,0,1|2,0,0]=4 7754 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 270004a_100011934283_100000758736 [0,1,0,0,0,1|2,0,0]=4 7755 B17R1.4049 CCCC[C@@H](CO)NCCOc1ccccc1 34a_100011934283_100000184471 [0,1,0,0,0,1|2,0,0]=4 7756 B17R1.4049 CCCC[C@@H](CO)NCCSc1ccccc1 2230a_100011934283_100000246102 [0,1,0,0,0,1|2,0,0]=4 7757 B17R1.4049 CCCC[C@@H](CO)NCCSc1ccccc1 34a_100011934283_100000246102 [0,1,0,0,0,1|2,0,0]=4 7758 B17R1.4049 CCCC[C@@H](CO)NCOCc1ccccc1 2230a_100011934283_100000763385 [0,1,0,0,0,1|2,0,0]=4 7759 B17R1.4049 CCCC[C@@H](CO)NCOCc1ccccc1 34a_100011934283_100000763385 [0,1,0,0,0,1|2,0,0]=4 7760 B17R1.4049 CCCC[C@@H](CO)NCSCc1ccccc1 2230a_100011934283_200011217039 [0,1,0,0,0,1|2,0,0]=4 7761 B17R1.4049 CCCC[C@@H](CO)NCSCc1ccccc1 34a_100011934283_200011217039 [0,1,0,0,0,1|2,0,0]=4 7762 B17R1.4049 CCOCC(CN)OCCCc1ccccc1 34a_102515437182_100000211621 [0,1,0,0,0,1|2,0,0]=4 7763 B17R1.4049 CCOCC(CN)OCCOc1ccccc1 34a_102515437182_100000184471 [0,1,0,0,0,1|2,0,0]=4 7764 B17R1.4049 CCOCC(CN)OCCSc1ccccc1 34a_102515437182_100000246102 [0,1,0,0,0,1|2,0,0]=4 7765 B17R1.4049 CCOCC(CN)OCOCc1ccccc1 34a_102515437182_100000763385 [0,1,0,0,0,1|2,0,0]=4 7766 B17R1.4049 CCOCC(CN)OCSCc1ccccc1 34a_102515437182_200011217039 [0,1,0,0,0,1|2,0,0]=4 7767 B17R1.4937 CCCCC(C)NC(=O)CCc1ccccc1 11a_100000126638_100000185753 [0,1,0,0,0,1|2,0,0]=4 7768 B17R1.4937 CCCCC(C)NC(=O)CCc1ccccc1 1626a_100000126638_100000185753 [0,1,0,0,0,1|2,0,0]=4 7769 B17R1.4937 CCCCC(C)NC(=O)CCc1ccccc1 240690a_100000126638_100000185753 [0,1,0,0,0,1|2,0,0]=4 7770 B17R1.4937 CCCCC(C)NC(=O)CCc1ccccc1 527a_100000126638_100000185753 [0,1,0,0,0,1|2,0,0]=4 7771 B17R1.4937 CCCCC(C)NC(C)CCc1ccccc1 2230a_100000210798_200011215066 [0,1,0,0,0,1|2,0,0]=4 7772 B17R1.4937 CCCCC(C)NC(C)CCc1ccccc1 270004a_100000126638_100000210092 [0,1,0,0,0,1|2,0,0]=4 7773 B17R1.4937 CCCCC(C)NC(C)CCc1ccccc1 270004a_100000210798_100000210087 [0,1,0,0,0,1|2,0,0]=4 7774 B17R1.4937 CCCCC(C)NC(C)CCc1ccccc1 34a_100000210798_200011215066 [0,1,0,0,0,1|2,0,0]=4 7775 B17R1.4937 CCCCC(C)NC(C)COc1ccccc1 2230a_100000746794_200011215066 [0,1,0,0,0,1|2,0,0]=4 7776 B17R1.4937 CCCCC(C)NC(C)COc1ccccc1 270004a_100000126638_100000150576 [0,1,0,0,0,1|2,0,0]=4 7777 B17R1.4937 CCCCC(C)NC(C)COc1ccccc1 270004a_100000746794_100000210087 [0,1,0,0,0,1|2,0,0]=4 7778 B17R1.4937 CCCCC(C)NC(C)COc1ccccc1 34a_100000746794_200011215066 [0,1,0,0,0,1|2,0,0]=4 7779 B17R1.4937 CCCCC(C)NC(C)CSc1ccccc1 270004a_100000126638_100000150717 [0,1,0,0,0,1|2,0,0]=4 7780 B17R1.4937 CCCCC(C)OC(C)C#Cc1ccccc1 34a_200000065209_200011215066 [0,1,0,0,0,1|1,0,1]=4 7781 B17R1.4937 CCCCC(C)OC(C)C#Cc1ccccc1 7a_200000065209_200011215066 [0,1,0,0,0,1|1,0,1]=4 7782 B17R1.4937 CCCCC(C)OC(C)COc1ccccc1 34a_100000210911_200011215066 [0,1,0,0,0,1|1,0,0]=3 7783 B17R1.4937 CCCCC(C)OC(C)COc1ccccc1 7a_100000210911_200011215066 [0,1,0,0,0,1|1,0,0]=3 7784 B17R1.4937 CCCCC(C)O[C@@H](C)CCc1ccccc1 34a_100009815974_200011215066 [0,1,0,0,0,1|1,0,0]=3 7785 B17R1.4937 CCCCC(C)O[C@@H](C)CCc1ccccc1 7a_100009815974_200011215066 [0,1,0,0,0,1|1,0,0]=3 7786 B17R1.4937 CCCSC(C)OC(=O)OCc1ccccc1 62a_100000210303_200015597219 [0,1,0,0,0,1|0,1,1]=4 7787 B17R1.4937 CCCSC(C)OC(=O)OCc1ccccc1 62a_200015597219_100000210303 [0,1,0,0,0,1|0,1,1]=4 7788 B17R1.4992 CC(C)CCC(C)NCCCc1ccccc1 2230a_100000211184_100011261404 [0,1,0,0,0,1|2,0,0]=4 7789 B17R1.4992 CC(C)CCC(C)NCCCc1ccccc1 2230a_100138410893_100000211621 [0,1,0,0,0,1|2,0,0]=4 7790 B17R1.4992 CC(C)CCC(C)NCCCc1ccccc1 270004a_100000211184_100000210476 [0,1,0,0,0,1|2,0,0]=4 7791 B17R1.4992 CC(C)CCC(C)NCCCc1ccccc1 34a_100000211184_100011261404 [0,1,0,0,0,1|2,0,0]=4 7792 B17R1.4992 CC(C)CCC(C)NCCOc1ccccc1 2230a_100000174943_100011261404 [0,1,0,0,0,1|2,0,0]=4 7793 B17R1.4992 CC(C)CCC(C)NCCOc1ccccc1 2230a_100138410893_100000184471 [0,1,0,0,0,1|2,0,0]=4 7794 B17R1.4992 CC(C)CCC(C)NCCOc1ccccc1 270004a_100000174943_100000210476 [0,1,0,0,0,1|2,0,0]=4 7795 B17R1.4992 CC(C)CCC(C)NCCOc1ccccc1 270004a_100138410893_100000758736 [0,1,0,0,0,1|2,0,0]=4 7796 B17R1.4992 CC(C)CCC(C)NCCOc1ccccc1 34a_100000174943_100011261404 [0,1,0,0,0,1|2,0,0]=4 7797 B17R1.4992 CC(C)CCC(C)NCCSc1ccccc1 2230a_100000189519_100011261404 [0,1,0,0,0,1|2,0,0]=4 7798 B17R1.4992 CC(C)CCC(C)NCCSc1ccccc1 2230a_100138410893_100000246102 [0,1,0,0,0,1|2,0,0]=4 7799 B17R1.4992 CC(C)CCC(C)NCCSc1ccccc1 270004a_100000189519_100000210476 [0,1,0,0,0,1|2,0,0]=4 7800 B17R1.4992 CC(C)CCC(C)NCOCc1ccccc1 2230a_100138410893_100000763385 [0,1,0,0,0,1|2,0,0]=4 7801 B17R1.4992 CC(C)CCC(C)NCSCc1ccccc1 2230a_100138410893_200011217039 [0,1,0,0,0,1|2,0,0]=4 7802 B17R1.4992 CC(C)CCC(C)OC/C=C/c1ccccc1 34a_100000210256_100011261404 [0,1,0,0,0,1|1,0,1]=4 7803 B17R1.4992 CC(C)CCC(C)OC/C=C/c1ccccc1 34a_100011215350_100016265936 [0,1,0,0,0,1|1,0,1]=4 7804 B17R1.4992 CC(C)CCC(C)OC/C=C/c1ccccc1 7a_100011215350_100016265936 [0,1,0,0,0,1|1,0,1]=4 7805 B17R1.4992 CC(C)CCC(C)OCC#Cc1ccccc1 34a_100011215350_100011352542 [0,1,0,0,0,1|1,0,1]=4 7806 B17R1.4992 CC(C)CCC(C)OCC#Cc1ccccc1 34a_100011217464_100011261404 [0,1,0,0,0,1|1,0,1]=4 7807 B17R1.4992 CC(C)CCC(C)OCC#Cc1ccccc1 7a_100011215350_100011352542 [0,1,0,0,0,1|1,0,1]=4 7808 B17R1.4992 CC(C)CCC(C)OCCCc1ccccc1 34a_100000210828_100011261404 [0,1,0,0,0,1|1,0,0]=3 7809 B17R1.4992 CC(C)CCC(C)OCCCc1ccccc1 34a_100011215350_100000211621 [0,1,0,0,0,1|1,0,0]=3 7810 B17R1.4992 CC(C)CCC(C)OCCCc1ccccc1 7a_100011215350_100000211621 [0,1,0,0,0,1|1,0,0]=3 7811 B17R1.4992 CC(C)CCC(C)OCCCc1ccccn1 34a_100011215068_100011261404 [0,1,0,0,0,1|2,0,0]=4 7812 B17R1.4992 CC(C)CCC(C)OCCCc1cccnc1 34a_100000211284_100011261404 [0,1,0,0,0,1|2,0,0]=4 7813 B17R1.4992 CC(C)CCC(C)OCCCc1ccncc1 34a_100000210659_100011261404 [0,1,0,0,0,1|2,0,0]=4 7814 B17R1.4992 CC(C)CCC(C)OCCNc1ccccc1 34a_100000211345_100011261404 [0,1,0,0,0,1|1,0,0]=3 7815 B17R1.4992 CC(C)CCC(C)OCCNc1ccncc1 34a_200011243140_100011261404 [0,1,0,0,0,1|2,0,0]=4 7816 B17R1.4992 CC(C)CCC(C)OCCOc1ccccc1 34a_100000210260_100011261404 [0,1,0,0,0,1|1,0,0]=3 7817 B17R1.4992 CC(C)CCC(C)OCCOc1ccccc1 34a_100011215350_100000184471 [0,1,0,0,0,1|1,0,0]=3 7818 B17R1.4992 CC(C)CCC(C)OCCOc1ccccc1 7a_100011215350_100000184471 [0,1,0,0,0,1|1,0,0]=3 7819 B17R1.4992 CC(C)CCC(C)OCCSc1ccccc1 34a_100011215350_100000246102 [0,1,0,0,0,1|1,0,0]=3 7820 B17R1.4992 CC(C)CCC(C)OCCSc1ccccc1 7a_100011215350_100000246102 [0,1,0,0,0,1|1,0,0]=3 7821 B17R1.4992 CC(C)CCC(C)OCOCc1ccccc1 34a_100011215350_100000763385 [0,1,0,0,0,1|1,0,0]=3 7822 B17R1.4992 CC(C)CCC(C)OCSCc1ccccc1 34a_100011215350_200011217039 [0,1,0,0,0,1|1,0,0]=3 7823 B17R1.4992 CC(C)CCC(C)SCCOc1ccccc1 62a_100000184471_100011261404 [0,1,0,0,0,1|1,1,0]=4 7824 B17R1.4992 CC(C)CCC(C)SCCOc1ccccc1 62a_100011261404_100000184471 [0,1,0,0,0,1|1,1,0]=4 7825 B17R1.4992 CC(C)CCC(C)SCOCc1ccccc1 62a_100000763385_100011261404 [0,1,0,0,0,1|1,1,0]=4 7826 B17R1.4992 CC(C)CCC(C)SCOCc1ccccc1 62a_100011261404_100000763385 [0,1,0,0,0,1|1,1,0]=4 7827 B17R1.4992 CC(C)CNC(C)CCCCc1ccccc1 270004a_100000210953_200011485782 [0,1,0,0,0,1|2,0,0]=4 7828 B17R1.4992 CC(C)CNC(C)CCOCc1ccccc1 270004a_100000210953_100011219826 [0,1,0,0,0,1|2,0,0]=4 7829 B17R1.4992 CC(O)CNC(C)CCCCc1ccccc1 270004a_100000210904_200011485782 [0,1,0,0,0,1|2,0,0]=4 7830 B17R1.4992 CC(O)CNC(C)CCOCc1ccccc1 270004a_100000210904_100011219826 [0,1,0,0,0,1|2,0,0]=4 7831 B17R1.5024 CCCC(C)C(C)NCCCc1ccccc1 270004a_100000211184_100011216282 [0,1,0,0,0,1|2,0,0]=4 7832 B17R1.5024 CCCC(C)C(C)NCCOc1ccccc1 270004a_100000174943_100011216282 [0,1,0,0,0,1|2,0,0]=4 7833 B17R1.5024 CCCC(C)C(C)NCCSc1ccccc1 270004a_100000189519_100011216282 [0,1,0,0,0,1|2,0,0]=4 7834 B17R1.5024 CCCC(C)C(C)OC/C=C/c1ccccc1 34a_100000708338_100016265936 [0,1,0,0,0,1|1,0,1]=4 7835 B17R1.5024 CCCC(C)C(C)OC/C=C/c1ccccc1 7a_100000708338_100016265936 [0,1,0,0,0,1|1,0,1]=4 7836 B17R1.5024 CCCC(C)C(C)OCC#Cc1ccccc1 34a_100000708338_100011352542 [0,1,0,0,0,1|1,0,1]=4 7837 B17R1.5024 CCCC(C)C(C)OCC#Cc1ccccc1 7a_100000708338_100011352542 [0,1,0,0,0,1|1,0,1]=4 7838 B17R1.5024 CCCC(C)C(C)OCCCc1ccccc1 34a_100000708338_100000211621 [0,1,0,0,0,1|1,0,0]=3 7839 B17R1.5024 CCCC(C)C(C)OCCCc1ccccc1 7a_100000708338_100000211621 [0,1,0,0,0,1|1,0,0]=3 7840 B17R1.5024 CCCC(C)C(C)OCCOc1ccccc1 34a_100000708338_100000184471 [0,1,0,0,0,1|1,0,0]=3 7841 B17R1.5024 CCCC(C)C(C)OCCOc1ccccc1 7a_100000708338_100000184471 [0,1,0,0,0,1|1,0,0]=3 7842 B17R1.5024 CCCC(C)C(C)OCCSc1ccccc1 34a_100000708338_100000246102 [0,1,0,0,0,1|1,0,0]=3 7843 B17R1.5024 CCCC(C)C(C)OCCSc1ccccc1 7a_100000708338_100000246102 [0,1,0,0,0,1|1,0,0]=3 7844 B17R1.5024 CCCC(C)C(C)OCOCc1ccccc1 34a_100000708338_100000763385 [0,1,0,0,0,1|1,0,0]=3 7845 B17R1.5024 CCCC(C)C(C)OCSCc1ccccc1 34a_100000708338_200011217039 [0,1,0,0,0,1|1,0,0]=3 7846 B17R1.5024 CCCN(C)C(C)CCCCc1ccccc1 270004a_100000747261_200011485782 [0,1,0,0,0,1|2,0,0]=4 7847 B17R1.5024 CCCN(C)C(C)CCOCc1ccccc1 270004a_100000747261_100011219826 [0,1,0,0,0,1|2,0,0]=4 7848 B17R1.5024 CCNC(=O)C(C)OCCCc1ccccc1 34a_100000210828_100000230173 [0,1,0,0,0,1|2,0,0]=4 7849 B17R1.5024 CCNC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100000230173 [0,1,0,0,0,1|2,0,0]=4 7850 B17R1.5024 CCNC(=O)C(C)OCCNc1ccccc1 34a_100000211345_100000230173 [0,1,0,0,0,1|2,0,0]=4 7851 B17R1.5024 CCNC(=O)C(C)OCCOc1ccccc1 34a_100000210260_100000230173 [0,1,0,0,0,1|2,0,0]=4 7852 B17R1.5024 CCNC(=O)C(C)OCCOc1ccccc1 7a_100000210260_100000230173 [0,1,0,0,0,1|2,0,0]=4 7853 B17R1.5024 CCNC(=O)C(C)OCCSc1ccccc1 7a_100000230494_100000230173 [0,1,0,0,0,1|2,0,0]=4 7854 B17R1.5024 CCOC(=O)C(C)OCCCc1ccccc1 34a_100000210828_100011216346 [0,1,0,0,0,1|2,0,0]=4 7855 B17R1.5024 CCOC(=O)C(C)OCCCc1ccccc1 7a_100000210828_100011216346 [0,1,0,0,0,1|2,0,0]=4 7856 B17R1.5024 CCOC(=O)C(C)OCCNc1ccccc1 34a_100000211345_100011216346 [0,1,0,0,0,1|2,0,0]=4 7857 B17R1.5024 CCOC(=O)C(C)OCCOc1ccccc1 34a_100000210260_100011216346 [0,1,0,0,0,1|2,0,0]=4 7858 B17R1.5024 CCOC(=O)C(C)OCCOc1ccccc1 7a_100000210260_100011216346 [0,1,0,0,0,1|2,0,0]=4 7859 B17R1.5024 CCOC(=O)C(C)OCCSc1ccccc1 7a_100000230494_100011216346 [0,1,0,0,0,1|2,0,0]=4 7860 B17R1.5024 CCOC(=O)[C@H](C)OCCCc1ccccc1 7a_100000751109_100000211621 [0,1,0,0,0,1|2,0,0]=4 7861 B17R1.5024 CCOC(=O)[C@H](C)OCCOc1ccccc1 7a_100000751109_100000184471 [0,1,0,0,0,1|2,0,0]=4 7862 B17R1.5024 CCOC(=O)[C@H](C)OCCSc1ccccc1 7a_100000751109_100000246102 [0,1,0,0,0,1|2,0,0]=4 7863 B17R1.8014 CC(C)(CCCBr)OCCCc1ccccc1 7a_100009888830_100000211621 [0,1,0,0,0,1|2,0,0]=4 7864 B17R1.8014 CC(C)(CCCBr)OCCOc1ccccc1 7a_100009888830_100000184471 [0,1,0,0,0,1|2,0,0]=4 7865 B17R1.8014 CC(C)(CCCBr)OCCSc1ccccc1 7a_100009888830_100000246102 [0,1,0,0,0,1|2,0,0]=4 7866 B17R1.8014 CCCCC(C)(C)COCCc1ccccc1 7a_200011995781_100000765856 [0,1,0,0,0,1|1,0,0]=3 7867 B17R1.8014 CCCCC(C)(C)COCCc1ccccn1 7a_200011995781_100015183660 [0,1,0,0,0,1|2,0,0]=4 7868 B17R1.8014 CCCCC(C)(C)COCCc1cccnc1 7a_200011995781_200011713674 [0,1,0,0,0,1|2,0,0]=4 7869 B17R1.8014 CCCCC(C)(C)COCCc1ccncc1 7a_200011995781_100000723409 [0,1,0,0,0,1|2,0,0]=4 7870 B17R1.8014 CCCCC(C)(C)OC/C=C/c1ccccc1 7a_100011219641_100016265936 [0,1,0,0,0,1|1,0,1]=4 7871 B17R1.8014 CCCCC(C)(C)OCC#Cc1ccccc1 7a_100011219641_100011352542 [0,1,0,0,0,1|1,0,1]=4 7872 B17R1.8014 CCCCC(C)(C)OCCCc1ccccc1 7a_100011219641_100000211621 [0,1,0,0,0,1|1,0,0]=3 7873 B17R1.8014 CCCCC(C)(C)OCCOc1ccccc1 7a_100011219641_100000184471 [0,1,0,0,0,1|1,0,0]=3 7874 B17R1.8014 CCCCC(C)(C)OCCSc1ccccc1 7a_100011219641_100000246102 [0,1,0,0,0,1|1,0,0]=3 7875 B17R1.8014 CCCC[Si](C)(C)COCCc1ccccc1 7a_100000210268_200000073895 [0,1,0,0,0,1|1,1,0]=4 7876 B17R1.9781 CC(OCCBr)C(=O)NCCc1ccccc1 34a_100000211926_100000230280 [0,1,0,0,0,1|2,0,0]=4 7877 B17R1.9781 CC(OCCN)C(=O)NCCc1ccccc1 34a_100000210304_100000230280 [0,1,0,0,0,1|2,0,0]=4 7878 B17R1.9781 CCCCC(C)C(=O)CCCc1ccccc1 1458a_100000725509_100000211621 [0,1,0,0,0,1|2,0,0]=4 7879 B17R1.9781 CCCCC(C)C(=O)CCCc1ccccc1 1458a_100011207963_200011215066 [0,1,0,0,0,1|2,0,0]=4 7880 B17R1.9781 CCCCC(C)C(=O)CCOc1ccccc1 1458a_100000182761_200011215066 [0,1,0,0,0,1|2,0,0]=4 7881 B17R1.9781 CCCCC(C)C(=O)CCOc1ccccc1 1458a_100000725509_100000184471 [0,1,0,0,0,1|2,0,0]=4 7882 B17R1.9781 CCCCC(C)C(=O)CCSc1ccccc1 1458a_100000182436_200011215066 [0,1,0,0,0,1|2,0,0]=4 7883 B17R1.9781 CCCCC(C)C(=O)CCSc1ccccc1 1458a_100000725509_100000246102 [0,1,0,0,0,1|2,0,0]=4 7884 B17R1.9781 CCCCC(C)C(=O)COCc1ccccc1 1458a_100000230186_200011215066 [0,1,0,0,0,1|2,0,0]=4 7885 B17R1.9781 CCCCC(C)C(=O)CSCc1ccccc1 1458a_100000150264_200011215066 [0,1,0,0,0,1|2,0,0]=4 7886 B17R1.9781 CCCCC(C)C(=O)CSCc1ccccc1 1458a_100000725509_200011217039 [0,1,0,0,0,1|2,0,0]=4 7887 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 11a_100000106460_100000725509 [0,1,0,0,0,1|2,0,0]=4 7888 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 1626a_100000106460_100000725509 [0,1,0,0,0,1|2,0,0]=4 7889 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 240690a_100000106460_100000725509 [0,1,0,0,0,1|2,0,0]=4 7890 B17R1.9781 CCCCC(C)C(=O)NCCc1ccccc1 527a_100000106460_100000725509 [0,1,0,0,0,1|2,0,0]=4 7891 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 2230a_100000693637_200011215066 [0,1,0,0,0,1|2,0,0]=4 7892 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 269982a_100000693637_200011215066 [0,1,0,0,0,1|2,0,0]=4 7893 B17R1.9781 CCCCC(C)N(C)CCCc1ccccc1 270004a_100000693637_100000210087 [0,1,0,0,0,1|2,0,0]=4 7894 B17R1.9781 CCCCC(C)N(C)CCOc1ccccc1 2230a_100000184383_200011215066 [0,1,0,0,0,1|2,0,0]=4 7895 B17R1.9781 CCCCC(C)N(C)CCOc1ccccc1 269982a_100000184383_200011215066 [0,1,0,0,0,1|2,0,0]=4 7896 B17R1.9781 CCCCC(C)N(C)CCOc1ccccc1 270004a_100000184383_100000210087 [0,1,0,0,0,1|2,0,0]=4 7897 B17R1.9781 CCCOC(=O)C(C)OCCc1ccccc1 34a_100000037348_100000765856 [0,1,0,0,0,1|1,0,1]=4 7898 B17R1.9781 CCCOC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000760410 [0,1,0,0,0,1|1,0,1]=4 7899 B17R1.9781 CCCOC(=O)C(C)OCCc1ccccc1 7a_100000037348_100000765856 [0,1,0,0,0,1|1,0,1]=4 7900 B17R1.9781 CCCOC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000760410 [0,1,0,0,0,1|1,0,1]=4 7901 B17R1.9781 CCCOC(C)C(=O)NCCc1ccccc1 34a_100000210258_100000230280 [0,1,0,0,0,1|1,0,0]=3 7902 B17R1.9781 CCCSC(C)C(=O)NCCc1ccccc1 62a_100000210303_100000230280 [0,1,0,0,0,1|1,1,0]=4 7903 B17R1.9781 CCCSC(C)C(=O)NCCc1ccccc1 62a_100000230280_100000210303 [0,1,0,0,0,1|1,1,0]=4 7904 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)Br 2230a_100000763565_100011740612 [0,2,0,0,0,0|2,0,0]=4 7905 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011710205 [0,2,0,0,0,0|2,0,0]=4 7906 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)C 2230a_100000763565_100011713686 [0,2,0,0,0,0|2,0,0]=4 7907 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011710205 [0,2,0,0,0,0|2,0,0]=4 7908 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)Cl 2230a_100000763565_100011713675 [0,2,0,0,0,0|2,0,0]=4 7909 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011710205 [0,2,0,0,0,0|2,0,0]=4 7910 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)F 2230a_100000763565_100011217392 [0,2,0,0,0,0|2,0,0]=4 7911 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011710205 [0,2,0,0,0,0|2,0,0]=4 7912 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)O 2230a_100000763565_100009816426 [0,2,0,0,0,0|2,0,0]=4 7913 B17R1.3 CCC(C)CC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011710205 [0,2,0,0,0,0|2,0,0]=4 7914 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)Br 34a_100011025554_100011740612 [0,2,0,0,0,0|0,0,2]=4 7915 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)Br 7a_100011025554_100011740612 [0,2,0,0,0,0|0,0,2]=4 7916 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)C 34a_100011025554_100011713686 [0,2,0,0,0,0|0,0,2]=4 7917 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)C 7a_100011025554_100011713686 [0,2,0,0,0,0|0,0,2]=4 7918 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)Cl 34a_100011025554_100011713675 [0,2,0,0,0,0|0,0,2]=4 7919 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)Cl 7a_100011025554_100011713675 [0,2,0,0,0,0|0,0,2]=4 7920 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)F 34a_100011025554_100011217392 [0,2,0,0,0,0|0,0,2]=4 7921 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)F 7a_100011025554_100011217392 [0,2,0,0,0,0|0,0,2]=4 7922 B17R1.4 C#CCOCC(C)OCCc1ccc(cc1)O 7a_100011025554_100009816426 [0,2,0,0,0,0|0,0,2]=4 7923 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)Br 34a_200000035118_100011740612 [0,2,0,0,0,0|1,0,1]=4 7924 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)Br 7a_200000035118_100011740612 [0,2,0,0,0,0|1,0,1]=4 7925 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)C 34a_200000035118_100011713686 [0,2,0,0,0,0|1,0,1]=4 7926 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)C 7a_200000035118_100011713686 [0,2,0,0,0,0|1,0,1]=4 7927 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)Cl 34a_200000035118_100011713675 [0,2,0,0,0,0|1,0,1]=4 7928 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)Cl 7a_200000035118_100011713675 [0,2,0,0,0,0|1,0,1]=4 7929 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)F 34a_200000035118_100011217392 [0,2,0,0,0,0|1,0,1]=4 7930 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)F 7a_200000035118_100011217392 [0,2,0,0,0,0|1,0,1]=4 7931 B17R1.4 CCC#CCC(C)OCCc1ccc(cc1)O 7a_200000035118_100009816426 [0,2,0,0,0,0|1,0,1]=4 7932 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 2230a_100000211957_100011740612 [0,2,0,0,0,0|2,0,0]=4 7933 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_200011218191 [0,2,0,0,0,0|2,0,0]=4 7934 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000211708 [0,2,0,0,0,0|2,0,0]=4 7935 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Br 34a_100000755846_200011218191 [0,2,0,0,0,0|2,0,0]=4 7936 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 2230a_100000211957_100011713686 [0,2,0,0,0,0|2,0,0]=4 7937 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 2230a_100000705350_200011218191 [0,2,0,0,0,0|2,0,0]=4 7938 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100000211708 [0,2,0,0,0,0|2,0,0]=4 7939 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)C 34a_100000705350_200011218191 [0,2,0,0,0,0|2,0,0]=4 7940 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_200011218191 [0,2,0,0,0,0|2,0,0]=4 7941 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 2230a_100000211957_100011713675 [0,2,0,0,0,0|2,0,0]=4 7942 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000211708 [0,2,0,0,0,0|2,0,0]=4 7943 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_200011218191 [0,2,0,0,0,0|2,0,0]=4 7944 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 2230a_100000199005_200011218191 [0,2,0,0,0,0|2,0,0]=4 7945 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 2230a_100000211957_100011217392 [0,2,0,0,0,0|2,0,0]=4 7946 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000211708 [0,2,0,0,0,0|2,0,0]=4 7947 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)F 34a_100000199005_200011218191 [0,2,0,0,0,0|2,0,0]=4 7948 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 2230a_100000211957_100009816426 [0,2,0,0,0,0|2,0,0]=4 7949 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000211708 [0,2,0,0,0,0|2,0,0]=4 7950 B17R1.4 CCCCCC(C)NCCc1ccc(cc1)O 34a_100000743037_200011218191 [0,2,0,0,0,0|2,0,0]=4 7951 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 34a_100000766406_200011218191 [0,2,0,0,0,0|1,0,0]=3 7952 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 34a_100011215632_100011740612 [0,2,0,0,0,0|1,0,0]=3 7953 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 7a_100000766406_200011218191 [0,2,0,0,0,0|1,0,0]=3 7954 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Br 7a_100011215632_100011740612 [0,2,0,0,0,0|1,0,0]=3 7955 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 34a_100000756670_200011218191 [0,2,0,0,0,0|1,0,0]=3 7956 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 34a_100011215632_100011713686 [0,2,0,0,0,0|1,0,0]=3 7957 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 7a_100000756670_200011218191 [0,2,0,0,0,0|1,0,0]=3 7958 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)C 7a_100011215632_100011713686 [0,2,0,0,0,0|1,0,0]=3 7959 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 34a_100011215632_100011713675 [0,2,0,0,0,0|1,0,0]=3 7960 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_200011218191 [0,2,0,0,0,0|1,0,0]=3 7961 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 7a_100011215632_100011713675 [0,2,0,0,0,0|1,0,0]=3 7962 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)Cl 7a_100011219627_200011218191 [0,2,0,0,0,0|1,0,0]=3 7963 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 34a_100000754732_200011218191 [0,2,0,0,0,0|1,0,0]=3 7964 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 34a_100011215632_100011217392 [0,2,0,0,0,0|1,0,0]=3 7965 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 7a_100000754732_200011218191 [0,2,0,0,0,0|1,0,0]=3 7966 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)F 7a_100011215632_100011217392 [0,2,0,0,0,0|1,0,0]=3 7967 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)I 34a_100012291149_200011218191 [0,2,0,0,0,0|1,0,0]=3 7968 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)I 7a_100012291149_200011218191 [0,2,0,0,0,0|1,0,0]=3 7969 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)N 34a_100011204434_200011218191 [0,2,0,0,0,0|1,0,0]=3 7970 B17R1.4 CCCCCC(C)OCCc1ccc(cc1)O 7a_100011215632_100009816426 [0,2,0,0,0,0|1,0,0]=3 7971 B17R1.4 CCCCCC(C)OCCc1ccc(cn1)Br 34a_100012357577_200011218191 [0,2,0,0,0,0|2,0,0]=4 7972 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)C 34a_100011815783_200011218191 [0,2,0,0,0,0|2,0,0]=4 7973 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_200011218191 [0,2,0,0,0,0|2,0,0]=4 7974 B17R1.4 CCCCCC(C)OCCc1ccc(nc1)Cl 7a_100009880866_200011218191 [0,2,0,0,0,0|2,0,0]=4 7975 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)O 62a_100009816426_200011218191 [0,2,0,0,0,0|1,1,0]=4 7976 B17R1.4 CCCCCC(C)SCCc1ccc(cc1)O 62a_200011218191_100009816426 [0,2,0,0,0,0|1,1,0]=4 7977 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011343953 [0,2,0,0,0,0|1,1,0]=4 7978 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011343953 [0,2,0,0,0,0|1,1,0]=4 7979 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011343953 [0,2,0,0,0,0|1,1,0]=4 7980 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011343953 [0,2,0,0,0,0|1,1,0]=4 7981 B17R1.4 CCCSCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011343953 [0,2,0,0,0,0|1,1,0]=4 7982 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_200011216536 [0,2,0,0,0,0|2,0,0]=4 7983 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_200011216536 [0,2,0,0,0,0|2,0,0]=4 7984 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_200011216536 [0,2,0,0,0,0|2,0,0]=4 7985 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_200011216536 [0,2,0,0,0,0|2,0,0]=4 7986 B17R1.4 CCOCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_200011216536 [0,2,0,0,0,0|2,0,0]=4 7987 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Br 34a_200011539412_100011740612 [0,2,0,0,0,0|1,0,0]=3 7988 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Br 7a_200011539412_100011740612 [0,2,0,0,0,0|1,0,0]=3 7989 B17R1.4 COCCCC(C)OCCc1ccc(cc1)C 34a_200011539412_100011713686 [0,2,0,0,0,0|1,0,0]=3 7990 B17R1.4 COCCCC(C)OCCc1ccc(cc1)C 7a_200011539412_100011713686 [0,2,0,0,0,0|1,0,0]=3 7991 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Cl 34a_200011539412_100011713675 [0,2,0,0,0,0|1,0,0]=3 7992 B17R1.4 COCCCC(C)OCCc1ccc(cc1)Cl 7a_200011539412_100011713675 [0,2,0,0,0,0|1,0,0]=3 7993 B17R1.4 COCCCC(C)OCCc1ccc(cc1)F 34a_200011539412_100011217392 [0,2,0,0,0,0|1,0,0]=3 7994 B17R1.4 COCCCC(C)OCCc1ccc(cc1)F 7a_200011539412_100011217392 [0,2,0,0,0,0|1,0,0]=3 7995 B17R1.4 COCCCC(C)OCCc1ccc(cc1)O 7a_200011539412_100009816426 [0,2,0,0,0,0|1,0,0]=3 7996 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011399439 [0,2,0,0,0,0|2,0,0]=4 7997 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)C 270004a_100000705350_100011399439 [0,2,0,0,0,0|2,0,0]=4 7998 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011399439 [0,2,0,0,0,0|2,0,0]=4 7999 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100011399439 [0,2,0,0,0,0|2,0,0]=4 8000 B17R1.4 CSCCCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100011399439 [0,2,0,0,0,0|2,0,0]=4 8001 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)Br 34a_200011217967_100011740612 [0,2,0,0,0,0|1,0,1]=4 8002 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)Br 7a_200011217967_100011740612 [0,2,0,0,0,0|1,0,1]=4 8003 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)C 34a_200011217967_100011713686 [0,2,0,0,0,0|1,0,1]=4 8004 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)C 7a_200011217967_100011713686 [0,2,0,0,0,0|1,0,1]=4 8005 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)Cl 34a_200011217967_100011713675 [0,2,0,0,0,0|1,0,1]=4 8006 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)Cl 7a_200011217967_100011713675 [0,2,0,0,0,0|1,0,1]=4 8007 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)F 34a_200011217967_100011217392 [0,2,0,0,0,0|1,0,1]=4 8008 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)F 7a_200011217967_100011217392 [0,2,0,0,0,0|1,0,1]=4 8009 B17R1.5 C#CC(CCCC)OCCc1ccc(cc1)O 7a_200011217967_100009816426 [0,2,0,0,0,0|1,0,1]=4 8010 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)Br 34a_200011215037_100011740612 [0,2,0,0,0,0|1,0,1]=4 8011 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)Br 7a_200011215037_100011740612 [0,2,0,0,0,0|1,0,1]=4 8012 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)C 34a_200011215037_100011713686 [0,2,0,0,0,0|1,0,1]=4 8013 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)C 7a_200011215037_100011713686 [0,2,0,0,0,0|1,0,1]=4 8014 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)Cl 34a_200011215037_100011713675 [0,2,0,0,0,0|1,0,1]=4 8015 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)Cl 7a_200011215037_100011713675 [0,2,0,0,0,0|1,0,1]=4 8016 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)F 34a_200011215037_100011217392 [0,2,0,0,0,0|1,0,1]=4 8017 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)F 7a_200011215037_100011217392 [0,2,0,0,0,0|1,0,1]=4 8018 B17R1.5 C=CC(CCCC)OCCc1ccc(cc1)O 7a_200011215037_100009816426 [0,2,0,0,0,0|1,0,1]=4 8019 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Br 270004a_100000755846_100000753412 [0,2,0,0,0,0|2,0,0]=4 8020 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Br 34a_100000755846_200011216223 [0,2,0,0,0,0|2,0,0]=4 8021 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)C 270004a_100000705350_100000753412 [0,2,0,0,0,0|2,0,0]=4 8022 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)C 34a_100000705350_200011216223 [0,2,0,0,0,0|2,0,0]=4 8023 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Cl 270004a_100000185265_100000753412 [0,2,0,0,0,0|2,0,0]=4 8024 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)Cl 34a_100000185265_200011216223 [0,2,0,0,0,0|2,0,0]=4 8025 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)F 270004a_100000199005_100000753412 [0,2,0,0,0,0|2,0,0]=4 8026 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)F 34a_100000199005_200011216223 [0,2,0,0,0,0|2,0,0]=4 8027 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)O 270004a_100000743037_100000753412 [0,2,0,0,0,0|2,0,0]=4 8028 B17R1.5 CCCCC(CC)NCCc1ccc(cc1)O 34a_100000743037_200011216223 [0,2,0,0,0,0|2,0,0]=4 8029 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 34a_100000766406_200011216223 [0,2,0,0,0,0|1,0,0]=3 8030 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 34a_100011215227_100011740612 [0,2,0,0,0,0|1,0,0]=3 8031 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 7a_100000766406_200011216223 [0,2,0,0,0,0|1,0,0]=3 8032 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Br 7a_100011215227_100011740612 [0,2,0,0,0,0|1,0,0]=3 8033 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 34a_100000756670_200011216223 [0,2,0,0,0,0|1,0,0]=3 8034 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 34a_100011215227_100011713686 [0,2,0,0,0,0|1,0,0]=3 8035 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 7a_100000756670_200011216223 [0,2,0,0,0,0|1,0,0]=3 8036 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)C 7a_100011215227_100011713686 [0,2,0,0,0,0|1,0,0]=3 8037 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 34a_100011215227_100011713675 [0,2,0,0,0,0|1,0,0]=3 8038 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 34a_100011219627_200011216223 [0,2,0,0,0,0|1,0,0]=3 8039 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 7a_100011215227_100011713675 [0,2,0,0,0,0|1,0,0]=3 8040 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)Cl 7a_100011219627_200011216223 [0,2,0,0,0,0|1,0,0]=3 8041 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 34a_100000754732_200011216223 [0,2,0,0,0,0|1,0,0]=3 8042 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 34a_100011215227_100011217392 [0,2,0,0,0,0|1,0,0]=3 8043 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 7a_100000754732_200011216223 [0,2,0,0,0,0|1,0,0]=3 8044 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)F 7a_100011215227_100011217392 [0,2,0,0,0,0|1,0,0]=3 8045 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)I 34a_100012291149_200011216223 [0,2,0,0,0,0|1,0,0]=3 8046 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)I 7a_100012291149_200011216223 [0,2,0,0,0,0|1,0,0]=3 8047 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)N 34a_100011204434_200011216223 [0,2,0,0,0,0|1,0,0]=3 8048 B17R1.5 CCCCC(CC)OCCc1ccc(cc1)O 7a_100011215227_100009816426 [0,2,0,0,0,0|1,0,0]=3 8049 B17R1.5 CCCCC(CC)OCCc1ccc(cn1)Br 34a_100012357577_200011216223 [0,2,0,0,0,0|2,0,0]=4 8050 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)C 34a_100011815783_200011216223 [0,2,0,0,0,0|2,0,0]=4 8051 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)Cl 34a_100009880866_200011216223 [0,2,0,0,0,0|2,0,0]=4 8052 B17R1.5 CCCCC(CC)OCCc1ccc(nc1)Cl 7a_100009880866_200011216223 [0,2,0,0,0,0|2,0,0]=4 8053 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)O 62a_100009816426_200011216223 [0,2,0,0,0,0|1,1,0]=4 8054 B17R1.5 CCCCC(CC)SCCc1ccc(cc1)O 62a_200011216223_100009816426 [0,2,0,0,0,0|1,1,0]=4 8055 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Br 2230a_100011934283_100011740612 [0,2,0,0,0,0|2,0,0]=4 8056 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Br 34a_100011934283_100011740612 [0,2,0,0,0,0|2,0,0]=4 8057 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)C 2230a_100011934283_100011713686 [0,2,0,0,0,0|2,0,0]=4 8058 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)C 34a_100011934283_100011713686 [0,2,0,0,0,0|2,0,0]=4 8059 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Cl 2230a_100011934283_100011713675 [0,2,0,0,0,0|2,0,0]=4 8060 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)Cl 34a_100011934283_100011713675 [0,2,0,0,0,0|2,0,0]=4 8061 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)F 2230a_100011934283_100011217392 [0,2,0,0,0,0|2,0,0]=4 8062 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)F 34a_100011934283_100011217392 [0,2,0,0,0,0|2,0,0]=4 8063 B17R1.5 CCCC[C@@H](CO)NCCc1ccc(cc1)O 2230a_100011934283_100009816426 [0,2,0,0,0,0|2,0,0]=4 8064 B17R1.5 CCOCC(CN)OCCc1ccc(cc1)Br 34a_102515437182_100011740612 [0,2,0,0,0,0|2,0,0]=4 8065 B17R1.5 CCOCC(CN)OCCc1ccc(cc1)C 34a_102515437182_100011713686 [0,2,0,0,0,0|2,0,0]=4 8066 B17R1.5 CCOCC(CN)OCCc1ccc(cc1)Cl 34a_102515437182_100011713675 [0,2,0,0,0,0|2,0,0]=4 8067 B17R1.5 CCOCC(CN)OCCc1ccc(cc1)F 34a_102515437182_100011217392 [0,2,0,0,0,0|2,0,0]=4 8068 B17R1.14 CCCC(C)C(C)NCCc1ccc(cc1)Br 270004a_100000755846_100011216282 [0,2,0,0,0,0|2,0,0]=4 8069 B17R1.14 CCCC(C)C(C)NCCc1ccc(cc1)C 270004a_100000705350_100011216282 [0,2,0,0,0,0|2,0,0]=4 8070 B17R1.14 CCCC(C)C(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100011216282 [0,2,0,0,0,0|2,0,0]=4 8071 B17R1.14 CCCC(C)C(C)NCCc1ccc(cc1)F 270004a_100000199005_100011216282 [0,2,0,0,0,0|2,0,0]=4 8072 B17R1.14 CCCC(C)C(C)NCCc1ccc(cc1)O 270004a_100000743037_100011216282 [0,2,0,0,0,0|2,0,0]=4 8073 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)Br 34a_100000708338_100011740612 [0,2,0,0,0,0|1,0,0]=3 8074 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)Br 7a_100000708338_100011740612 [0,2,0,0,0,0|1,0,0]=3 8075 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)C 34a_100000708338_100011713686 [0,2,0,0,0,0|1,0,0]=3 8076 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)C 7a_100000708338_100011713686 [0,2,0,0,0,0|1,0,0]=3 8077 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)Cl 34a_100000708338_100011713675 [0,2,0,0,0,0|1,0,0]=3 8078 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)Cl 7a_100000708338_100011713675 [0,2,0,0,0,0|1,0,0]=3 8079 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)F 34a_100000708338_100011217392 [0,2,0,0,0,0|1,0,0]=3 8080 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)F 7a_100000708338_100011217392 [0,2,0,0,0,0|1,0,0]=3 8081 B17R1.14 CCCC(C)C(C)OCCc1ccc(cc1)O 7a_100000708338_100009816426 [0,2,0,0,0,0|1,0,0]=3 8082 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)Br 34a_100000766406_100000230173 [0,2,0,0,0,0|2,0,0]=4 8083 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)Br 7a_100000766406_100000230173 [0,2,0,0,0,0|2,0,0]=4 8084 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)C 34a_100000756670_100000230173 [0,2,0,0,0,0|2,0,0]=4 8085 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)C 7a_100000756670_100000230173 [0,2,0,0,0,0|2,0,0]=4 8086 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)Cl 34a_100011219627_100000230173 [0,2,0,0,0,0|2,0,0]=4 8087 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)Cl 7a_100011219627_100000230173 [0,2,0,0,0,0|2,0,0]=4 8088 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)F 34a_100000754732_100000230173 [0,2,0,0,0,0|2,0,0]=4 8089 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)F 7a_100000754732_100000230173 [0,2,0,0,0,0|2,0,0]=4 8090 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)I 34a_100012291149_100000230173 [0,2,0,0,0,0|2,0,0]=4 8091 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)I 7a_100012291149_100000230173 [0,2,0,0,0,0|2,0,0]=4 8092 B17R1.14 CCNC(=O)C(C)OCCc1ccc(cc1)N 34a_100011204434_100000230173 [0,2,0,0,0,0|2,0,0]=4 8093 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)Br 34a_100000766406_100011216346 [0,2,0,0,0,0|2,0,0]=4 8094 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)Br 7a_100000766406_100011216346 [0,2,0,0,0,0|2,0,0]=4 8095 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)C 34a_100000756670_100011216346 [0,2,0,0,0,0|2,0,0]=4 8096 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)C 7a_100000756670_100011216346 [0,2,0,0,0,0|2,0,0]=4 8097 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)Cl 34a_100011219627_100011216346 [0,2,0,0,0,0|2,0,0]=4 8098 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)Cl 7a_100011219627_100011216346 [0,2,0,0,0,0|2,0,0]=4 8099 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)F 34a_100000754732_100011216346 [0,2,0,0,0,0|2,0,0]=4 8100 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)F 7a_100000754732_100011216346 [0,2,0,0,0,0|2,0,0]=4 8101 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)I 34a_100012291149_100011216346 [0,2,0,0,0,0|2,0,0]=4 8102 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)I 7a_100012291149_100011216346 [0,2,0,0,0,0|2,0,0]=4 8103 B17R1.14 CCOC(=O)C(C)OCCc1ccc(cc1)N 34a_100011204434_100011216346 [0,2,0,0,0,0|2,0,0]=4 8104 B17R1.14 CCOC(=O)[C@H](C)OCCc1ccc(cc1)Br 7a_100000751109_100011740612 [0,2,0,0,0,0|2,0,0]=4 8105 B17R1.14 CCOC(=O)[C@H](C)OCCc1ccc(cc1)C 7a_100000751109_100011713686 [0,2,0,0,0,0|2,0,0]=4 8106 B17R1.14 CCOC(=O)[C@H](C)OCCc1ccc(cc1)Cl 7a_100000751109_100011713675 [0,2,0,0,0,0|2,0,0]=4 8107 B17R1.14 CCOC(=O)[C@H](C)OCCc1ccc(cc1)F 7a_100000751109_100011217392 [0,2,0,0,0,0|2,0,0]=4 8108 B17R1.14 CCOC(=O)[C@H](C)OCCc1ccc(cc1)O 7a_100000751109_100009816426 [0,2,0,0,0,0|2,0,0]=4 8109 B17R1.49 CC(C)(CCCBr)OCCc1ccc(cc1)Br 7a_100009888830_100011740612 [0,2,0,0,0,0|2,0,0]=4 8110 B17R1.49 CC(C)(CCCBr)OCCc1ccc(cc1)Cl 7a_100009888830_100011713675 [0,2,0,0,0,0|2,0,0]=4 8111 B17R1.49 CC(C)(CCCBr)OCCc1ccc(cc1)F 7a_100009888830_100011217392 [0,2,0,0,0,0|2,0,0]=4 8112 B17R1.49 CC(C)(CCCBr)OCCc1ccc(cc1)O 7a_100009888830_100009816426 [0,2,0,0,0,0|2,0,0]=4 8113 B17R1.49 CCCCC(C)(C)OCCc1ccc(cc1)Br 7a_100011219641_100011740612 [0,2,0,0,0,0|1,0,0]=3 8114 B17R1.49 CCCCC(C)(C)OCCc1ccc(cc1)C 7a_100011219641_100011713686 [0,2,0,0,0,0|1,0,0]=3 8115 B17R1.49 CCCCC(C)(C)OCCc1ccc(cc1)Cl 7a_100011219641_100011713675 [0,2,0,0,0,0|1,0,0]=3 8116 B17R1.49 CCCCC(C)(C)OCCc1ccc(cc1)F 7a_100011219641_100011217392 [0,2,0,0,0,0|1,0,0]=3 8117 B17R1.49 CCCCC(C)(C)OCCc1ccc(cc1)O 7a_100011219641_100009816426 [0,2,0,0,0,0|1,0,0]=3 8118 B17R1.49 Cc1ccc(cc1)CCOC(C)(C)CCCBr 7a_100009888830_100011713686 [0,2,0,0,0,0|2,0,0]=4 8119 B17R1.748 CC(CCCCl)OCC(O)c1ccc(cc1)Cl 34a_200000718107_200011996143 [0,2,0,0,0,0|2,0,0]=4 8120 B17R1.748 CC(CCCCl)OCC(O)c1ccc(cc1)Cl 7a_200000718107_200011996143 [0,2,0,0,0,0|2,0,0]=4 8121 B17R1.748 CC(CCCCl)OC[C@H](O)c1ccc(cc1)F 34a_200000718107_100000720402 [0,2,0,0,0,0|2,0,0]=4 8122 B17R1.748 CC(CCCCl)OC[C@H](O)c1ccc(cc1)F 7a_200000718107_100000720402 [0,2,0,0,0,0|2,0,0]=4 8123 B17R1.748 CCC#CC(C)OCC(O)c1ccc(cc1)Cl 34a_100000033903_200011996143 [0,2,0,0,0,0|1,0,1]=4 8124 B17R1.748 CCC#CC(C)OCC(O)c1ccc(cc1)Cl 7a_100000033903_200011996143 [0,2,0,0,0,0|1,0,1]=4 8125 B17R1.748 CCC#CC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000033903_100000720402 [0,2,0,0,0,0|1,0,1]=4 8126 B17R1.748 CCC#CC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000033903_100000720402 [0,2,0,0,0,0|1,0,1]=4 8127 B17R1.748 CCCCC(C)NCC(C)c1ccc(cc1)O 270004a_200015188644_100000210087 [0,2,0,0,0,0|2,0,0]=4 8128 B17R1.748 CCCCC(C)NCC(C)c1ccc(cc1)O 34a_200015188644_200011215066 [0,2,0,0,0,0|2,0,0]=4 8129 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 2230a_100020626992_200011215066 [0,2,0,0,0,0|2,0,0]=4 8130 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 270004a_100020626992_100000210087 [0,2,0,0,0,0|2,0,0]=4 8131 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Br 34a_100020626992_200011215066 [0,2,0,0,0,0|2,0,0]=4 8132 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 2230a_200020610344_200011215066 [0,2,0,0,0,0|2,0,0]=4 8133 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 270004a_200020610344_100000210087 [0,2,0,0,0,0|2,0,0]=4 8134 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)C 34a_200020610344_200011215066 [0,2,0,0,0,0|2,0,0]=4 8135 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000126638_200011996143 [0,2,0,0,0,0|2,0,0]=4 8136 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 2230a_100000736658_200011215066 [0,2,0,0,0,0|2,0,0]=4 8137 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 270004a_100000736658_100000210087 [0,2,0,0,0,0|2,0,0]=4 8138 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)Cl 34a_100000736658_200011215066 [0,2,0,0,0,0|2,0,0]=4 8139 B17R1.748 CCCCC(C)NCC(O)c1ccc(cc1)O 34a_100000067596_200011215066 [0,2,0,0,0,0|2,0,0]=4 8140 B17R1.748 CCCCC(C)NC[C@H](O)c1ccc(cc1)F 2230a_100000126638_100000720402 [0,2,0,0,0,0|2,0,0]=4 8141 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Br 34a_100000687866_100000188085 [0,2,0,0,0,0|1,0,1]=4 8142 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Br 7a_100000687866_100000188085 [0,2,0,0,0,0|1,0,1]=4 8143 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)C 34a_100000687866_100000211441 [0,2,0,0,0,0|1,0,1]=4 8144 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)C 7a_100000687866_100000211441 [0,2,0,0,0,0|1,0,1]=4 8145 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)Cl 7a_100000687866_100000211071 [0,2,0,0,0,0|1,0,1]=4 8146 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)F 34a_100000246311_200011215066 [0,2,0,0,0,0|1,0,1]=4 8147 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)F 7a_100000687866_100000211279 [0,2,0,0,0,0|1,0,1]=4 8148 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)I 34a_100000687866_100011216261 [0,2,0,0,0,0|1,0,1]=4 8149 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)I 7a_100000687866_100011216261 [0,2,0,0,0,0|1,0,1]=4 8150 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)O 34a_100000687866_100009814261 [0,2,0,0,0,0|1,0,1]=4 8151 B17R1.748 CCCCC(C)OCC(=O)c1ccc(cc1)O 7a_100000687866_100000018856 [0,2,0,0,0,0|1,0,1]=4 8152 B17R1.748 CCCCC(C)OCC(N)c1ccc(cc1)Br 34a_100000734186_200011215066 [0,2,0,0,0,0|1,0,0]=3 8153 B17R1.748 CCCCC(C)OCC(N)c1ccc(cc1)F 34a_100000705410_200011215066 [0,2,0,0,0,0|1,0,0]=3 8154 B17R1.748 CCCCC(C)OCC(O)c1ccc(cc1)Cl 34a_100000687866_200011996143 [0,2,0,0,0,0|1,0,0]=3 8155 B17R1.748 CCCCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000687866_200011996143 [0,2,0,0,0,0|1,0,0]=3 8156 B17R1.748 CCCCC(C)OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200011215066 [0,2,0,0,0,0|1,0,0]=3 8157 B17R1.748 CCCCC(C)OC[C@H](N)c1ccc(cc1)C 34a_100009818840_200011215066 [0,2,0,0,0,0|1,0,0]=3 8158 B17R1.748 CCCCC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000687866_100000720402 [0,2,0,0,0,0|1,0,0]=3 8159 B17R1.748 CCCCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000687866_100000720402 [0,2,0,0,0,0|1,0,0]=3 8160 B17R1.748 CCCCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011215066_200011996143 [0,2,0,0,0,0|1,1,0]=4 8161 B17R1.748 CCCCC(C)SCC(O)c1ccc(cc1)Cl 62a_200011996143_200011215066 [0,2,0,0,0,0|1,1,0]=4 8162 B17R1.748 CCCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_100000720402_200011215066 [0,2,0,0,0,0|1,1,0]=4 8163 B17R1.748 CCCCC(C)SC[C@H](O)c1ccc(cc1)F 62a_200011215066_100000720402 [0,2,0,0,0,0|1,1,0]=4 8164 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)Br 2230a_100015185124_100000755118 [0,2,0,0,0,0|2,0,0]=4 8165 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)Br 269862a_100015185124_100000185794 [0,2,0,0,0,0|2,0,0]=4 8166 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)Br 34a_100015185124_100000755118 [0,2,0,0,0,0|2,0,0]=4 8167 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)C 2230a_100015185124_100011261388 [0,2,0,0,0,0|2,0,0]=4 8168 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)C 269862a_100015185124_100000185793 [0,2,0,0,0,0|2,0,0]=4 8169 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)C 34a_100015185124_100011261388 [0,2,0,0,0,0|2,0,0]=4 8170 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)Cl 2230a_100015185124_100000684792 [0,2,0,0,0,0|2,0,0]=4 8171 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)Cl 269862a_100015185124_100000185797 [0,2,0,0,0,0|2,0,0]=4 8172 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)F 2230a_100015185124_100000743420 [0,2,0,0,0,0|2,0,0]=4 8173 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)F 269862a_100015185124_100000185800 [0,2,0,0,0,0|2,0,0]=4 8174 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)F 34a_100015185124_100000743420 [0,2,0,0,0,0|2,0,0]=4 8175 B17R1.748 CCCOC(C)CNC(C)c1ccc(cc1)I 269862a_100015185124_100000185465 [0,2,0,0,0,0|2,0,0]=4 8176 B17R1.748 CCOCC(C)OCC(O)c1ccc(cc1)Cl 34a_100000718985_200011996143 [0,2,0,0,0,0|2,0,0]=4 8177 B17R1.748 CCOCC(C)OCC(O)c1ccc(cc1)Cl 7a_100000718985_200011996143 [0,2,0,0,0,0|2,0,0]=4 8178 B17R1.748 CCOCC(C)OC[C@H](O)c1ccc(cc1)F 34a_100000718985_100000720402 [0,2,0,0,0,0|2,0,0]=4 8179 B17R1.748 CCOCC(C)OC[C@H](O)c1ccc(cc1)F 7a_100000718985_100000720402 [0,2,0,0,0,0|2,0,0]=4 8180 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Br 2230a_100000755846_100011261404 [0,2,0,0,0,0|2,0,0]=4 8181 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Br 2230a_100138410893_100011740612 [0,2,0,0,0,0|2,0,0]=4 8182 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Br 270004a_100000755846_100000210476 [0,2,0,0,0,0|2,0,0]=4 8183 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Br 34a_100000755846_100011261404 [0,2,0,0,0,0|2,0,0]=4 8184 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Cl 2230a_100000185265_100011261404 [0,2,0,0,0,0|2,0,0]=4 8185 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Cl 2230a_100138410893_100011713675 [0,2,0,0,0,0|2,0,0]=4 8186 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Cl 270004a_100000185265_100000210476 [0,2,0,0,0,0|2,0,0]=4 8187 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)Cl 34a_100000185265_100011261404 [0,2,0,0,0,0|2,0,0]=4 8188 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)F 2230a_100000199005_100011261404 [0,2,0,0,0,0|2,0,0]=4 8189 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)F 2230a_100138410893_100011217392 [0,2,0,0,0,0|2,0,0]=4 8190 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)F 270004a_100000199005_100000210476 [0,2,0,0,0,0|2,0,0]=4 8191 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)F 34a_100000199005_100011261404 [0,2,0,0,0,0|2,0,0]=4 8192 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)O 2230a_100138410893_100009816426 [0,2,0,0,0,0|2,0,0]=4 8193 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)O 270004a_100000743037_100000210476 [0,2,0,0,0,0|2,0,0]=4 8194 B17R1.1143 CC(C)CCC(C)NCCc1ccc(cc1)O 34a_100000743037_100011261404 [0,2,0,0,0,0|2,0,0]=4 8195 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Br 34a_100000766406_100011261404 [0,2,0,0,0,0|1,0,0]=3 8196 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Br 34a_100011215350_100011740612 [0,2,0,0,0,0|1,0,0]=3 8197 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Br 7a_100011215350_100011740612 [0,2,0,0,0,0|1,0,0]=3 8198 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Cl 34a_100011215350_100011713675 [0,2,0,0,0,0|1,0,0]=3 8199 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Cl 34a_100011219627_100011261404 [0,2,0,0,0,0|1,0,0]=3 8200 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)Cl 7a_100011215350_100011713675 [0,2,0,0,0,0|1,0,0]=3 8201 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)F 34a_100000754732_100011261404 [0,2,0,0,0,0|1,0,0]=3 8202 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)F 34a_100011215350_100011217392 [0,2,0,0,0,0|1,0,0]=3 8203 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)F 7a_100011215350_100011217392 [0,2,0,0,0,0|1,0,0]=3 8204 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)I 34a_100012291149_100011261404 [0,2,0,0,0,0|1,0,0]=3 8205 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)N 34a_100011204434_100011261404 [0,2,0,0,0,0|1,0,0]=3 8206 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cc1)O 7a_100011215350_100009816426 [0,2,0,0,0,0|1,0,0]=3 8207 B17R1.1143 CC(C)CCC(C)OCCc1ccc(cn1)Br 34a_100012357577_100011261404 [0,2,0,0,0,0|2,0,0]=4 8208 B17R1.1143 CC(C)CCC(C)OCCc1ccc(nc1)Cl 34a_100009880866_100011261404 [0,2,0,0,0,0|2,0,0]=4 8209 B17R1.1143 CC(C)CCC(C)SCCc1ccc(cc1)F 62a_100011217392_100011261404 [0,2,0,0,0,0|1,1,0]=4 8210 B17R1.1143 CC(C)CCC(C)SCCc1ccc(cc1)F 62a_100011261404_100011217392 [0,2,0,0,0,0|1,1,0]=4 8211 B17R1.1143 CC(C)CCC(C)SCCc1ccc(cc1)O 62a_100009816426_100011261404 [0,2,0,0,0,0|1,1,0]=4 8212 B17R1.1143 CC(C)CCC(C)SCCc1ccc(cc1)O 62a_100011261404_100009816426 [0,2,0,0,0,0|1,1,0]=4 8213 B17R1.1143 Cc1ccc(cc1)CCNC(C)CCC(C)C 2230a_100000705350_100011261404 [0,2,0,0,0,0|2,0,0]=4 8214 B17R1.1143 Cc1ccc(cc1)CCNC(C)CCC(C)C 2230a_100138410893_100011713686 [0,2,0,0,0,0|2,0,0]=4 8215 B17R1.1143 Cc1ccc(cc1)CCNC(C)CCC(C)C 270004a_100000705350_100000210476 [0,2,0,0,0,0|2,0,0]=4 8216 B17R1.1143 Cc1ccc(cc1)CCNC(C)CCC(C)C 34a_100000705350_100011261404 [0,2,0,0,0,0|2,0,0]=4 8217 B17R1.1143 Cc1ccc(cc1)CCOC(C)CCC(C)C 34a_100000756670_100011261404 [0,2,0,0,0,0|1,0,0]=3 8218 B17R1.1143 Cc1ccc(cc1)CCOC(C)CCC(C)C 34a_100011215350_100011713686 [0,2,0,0,0,0|1,0,0]=3 8219 B17R1.1143 Cc1ccc(cc1)CCOC(C)CCC(C)C 7a_100011215350_100011713686 [0,2,0,0,0,0|1,0,0]=3 8220 B17R1.1143 Cc1ccc(cn1)CCOC(C)CCC(C)C 34a_100011815783_100011261404 [0,2,0,0,0,0|2,0,0]=4 8221 B17R1.1507 C#Cc1ccc(cc1)CNCC(C)OCCC 207a_100015185124_100011361452 [0,2,0,0,0,0|2,0,0]=4 8222 B17R1.1507 C#Cc1ccc(cc1)CNCC(C)OCCC 2230a_100015185124_100000140223 [0,2,0,0,0,0|2,0,0]=4 8223 B17R1.1507 C#Cc1ccc(cc1)CNCC(C)OCCC 270004a_100015185124_100011361452 [0,2,0,0,0,0|2,0,0]=4 8224 B17R1.1507 C#Cc1ccc(cc1)CNCC(C)OCCC 34a_100015185124_100000140223 [0,2,0,0,0,0|2,0,0]=4 8225 B17R1.1507 C=Cc1ccc(cc1)CCNC(C)CCCC 2230a_100000126638_100000142037 [0,2,0,0,0,0|2,0,0]=4 8226 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)C#CCC 34a_100000033903_100000142037 [0,2,0,0,0,0|1,0,1]=4 8227 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)C#CCC 7a_100000033903_100000142037 [0,2,0,0,0,0|1,0,1]=4 8228 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)CCCC 34a_100000687866_100000142037 [0,2,0,0,0,0|1,0,0]=3 8229 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)CCCC 7a_100000687866_100000142037 [0,2,0,0,0,0|1,0,0]=3 8230 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)CCCCl 34a_200000718107_100000142037 [0,2,0,0,0,0|2,0,0]=4 8231 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)CCCCl 7a_200000718107_100000142037 [0,2,0,0,0,0|2,0,0]=4 8232 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)COCC 34a_100000718985_100000142037 [0,2,0,0,0,0|2,0,0]=4 8233 B17R1.1507 C=Cc1ccc(cc1)CCOC(C)COCC 7a_100000718985_100000142037 [0,2,0,0,0,0|2,0,0]=4 8234 B17R1.1507 C=Cc1ccc(cc1)CNCC(C)OCCC 2230a_100015185124_100000034074 [0,2,0,0,0,0|2,0,0]=4 8235 B17R1.1507 C=Cc1ccc(cc1)CNCC(C)OCCC 26a_100015185124_100000189437 [0,2,0,0,0,0|2,0,0]=4 8236 B17R1.1507 C=Cc1ccc(cc1)CNCC(C)OCCC 270004a_100015185124_100011361436 [0,2,0,0,0,0|2,0,0]=4 8237 B17R1.1507 C=Cc1ccc(cc1)CNCC(C)OCCC 34a_100015185124_100000034074 [0,2,0,0,0,0|2,0,0]=4 8238 B17R1.1507 CC(CCCCl)OCCc1ccc(cc1)C#N 34a_200000718107_100012161189 [0,2,0,0,0,0|2,0,0]=4 8239 B17R1.1507 CC(CCCCl)OCCc1ccc(cc1)C#N 7a_200000718107_100012161189 [0,2,0,0,0,0|2,0,0]=4 8240 B17R1.1507 CCC#CC(C)OCCc1ccc(cc1)C#N 34a_100000033903_100012161189 [0,2,0,0,0,0|1,0,1]=4 8241 B17R1.1507 CCC#CC(C)OCCc1ccc(cc1)C#N 7a_100000033903_100012161189 [0,2,0,0,0,0|1,0,1]=4 8242 B17R1.1507 CCC#CC(C)OCCc1ccc(cc1)OC 34a_100000033903_100000184700 [0,2,0,0,0,0|1,0,1]=4 8243 B17R1.1507 CCC#CC(C)OCCc1ccc(cc1)OC 7a_100000033903_100000184700 [0,2,0,0,0,0|1,0,1]=4 8244 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)C#N 2230a_100000126638_100012161189 [0,2,0,0,0,0|2,0,0]=4 8245 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)C#N 2230a_100015189369_200011215066 [0,2,0,0,0,0|2,0,0]=4 8246 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)C#N 270004a_100015189369_100000210087 [0,2,0,0,0,0|2,0,0]=4 8247 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)C#N 34a_100015189369_200011215066 [0,2,0,0,0,0|2,0,0]=4 8248 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)CC 2230a_100025712186_200011215066 [0,2,0,0,0,0|2,0,0]=4 8249 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)CC 270004a_100025712186_100000210087 [0,2,0,0,0,0|2,0,0]=4 8250 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)CC 34a_100025712186_200011215066 [0,2,0,0,0,0|2,0,0]=4 8251 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)OC 2230a_100000126638_100011713689 [0,2,0,0,0,0|2,0,0]=4 8252 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)OC 2230a_100000210796_200011215066 [0,2,0,0,0,0|2,0,0]=4 8253 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)OC 270004a_100000126638_100011242372 [0,2,0,0,0,0|2,0,0]=4 8254 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)OC 270004a_100000210796_100000210087 [0,2,0,0,0,0|2,0,0]=4 8255 B17R1.1507 CCCCC(C)NCCc1ccc(cc1)OC 34a_100000210796_200011215066 [0,2,0,0,0,0|2,0,0]=4 8256 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)C#N 34a_100000687866_100012161189 [0,2,0,0,0,0|1,0,0]=3 8257 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)C#N 34a_100011219507_200011215066 [0,2,0,0,0,0|1,0,0]=3 8258 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)C#N 7a_100000687866_100012161189 [0,2,0,0,0,0|1,0,0]=3 8259 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)C#N 7a_100011219507_200011215066 [0,2,0,0,0,0|1,0,0]=3 8260 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)OC 34a_100000687866_100000184700 [0,2,0,0,0,0|1,0,0]=3 8261 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)OC 34a_100011219623_200011215066 [0,2,0,0,0,0|1,0,0]=3 8262 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)OC 7a_100000687866_100000184700 [0,2,0,0,0,0|1,0,0]=3 8263 B17R1.1507 CCCCC(C)OCCc1ccc(cc1)OC 7a_100011219623_200011215066 [0,2,0,0,0,0|1,0,0]=3 8264 B17R1.1507 CCCCC(C)OCCc1ccc(cn1)CC 34a_100000702088_200011215066 [0,2,0,0,0,0|2,0,0]=4 8265 B17R1.1507 CCCCC(C)OCCc1ccc(cn1)CC 7a_100000702088_200011215066 [0,2,0,0,0,0|2,0,0]=4 8266 B17R1.1507 CCCCC(C)SCCc1ccc(cc1)C#N 62a_200011215066_100012161189 [0,2,0,0,0,0|1,1,0]=4 8267 B17R1.1507 CCCCC(C)SCCc1ccc(cc1)OC 62a_100011713689_200011215066 [0,2,0,0,0,0|1,1,0]=4 8268 B17R1.1507 CCCCC(C)SCCc1ccc(cc1)OC 62a_200011215066_100011713689 [0,2,0,0,0,0|1,1,0]=4 8269 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C#N 207a_100015185124_100000211122 [0,2,0,0,0,0|2,0,0]=4 8270 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C#N 2230a_100015185124_100000184898 [0,2,0,0,0,0|2,0,0]=4 8271 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C#N 26a_100015185124_100000210344 [0,2,0,0,0,0|2,0,0]=4 8272 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C#N 270004a_100015185124_100000211122 [0,2,0,0,0,0|2,0,0]=4 8273 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C#N 34a_100015185124_100000184898 [0,2,0,0,0,0|2,0,0]=4 8274 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C=O 2230a_100015185124_100009816848 [0,2,0,0,0,0|2,0,0]=4 8275 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)C=O 34a_100015185124_100009816848 [0,2,0,0,0,0|2,0,0]=4 8276 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CC 207a_100015185124_100000211036 [0,2,0,0,0,0|2,0,0]=4 8277 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CC 2230a_100015185124_100000747183 [0,2,0,0,0,0|2,0,0]=4 8278 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CC 26a_100015185124_100000211359 [0,2,0,0,0,0|2,0,0]=4 8279 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CC 270004a_100015185124_100000211036 [0,2,0,0,0,0|2,0,0]=4 8280 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CC 34a_100015185124_100000747183 [0,2,0,0,0,0|2,0,0]=4 8281 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CO 207a_100015185124_100009832023 [0,2,0,0,0,0|2,0,0]=4 8282 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CO 2230a_100015185124_100000067286 [0,2,0,0,0,0|2,0,0]=4 8283 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CO 26a_100015185124_100000211755 [0,2,0,0,0,0|2,0,0]=4 8284 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CO 270004a_100015185124_100009832023 [0,2,0,0,0,0|2,0,0]=4 8285 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)CO 34a_100015185124_100000067286 [0,2,0,0,0,0|2,0,0]=4 8286 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)OC 207a_100015185124_100000169835 [0,2,0,0,0,0|2,0,0]=4 8287 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)OC 2230a_100015185124_100000742318 [0,2,0,0,0,0|2,0,0]=4 8288 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)OC 26a_100015185124_100000210503 [0,2,0,0,0,0|2,0,0]=4 8289 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)OC 270004a_100015185124_100000169835 [0,2,0,0,0,0|2,0,0]=4 8290 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)OC 34a_100015185124_100000742318 [0,2,0,0,0,0|2,0,0]=4 8291 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)SC 207a_100015185124_100000211154 [0,2,0,0,0,0|2,0,0]=4 8292 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)SC 2230a_100015185124_100000181263 [0,2,0,0,0,0|2,0,0]=4 8293 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)SC 26a_100015185124_100000211864 [0,2,0,0,0,0|2,0,0]=4 8294 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)SC 270004a_100015185124_100000211154 [0,2,0,0,0,0|2,0,0]=4 8295 B17R1.1507 CCCOC(C)CNCc1ccc(cc1)SC 34a_100015185124_100000181263 [0,2,0,0,0,0|2,0,0]=4 8296 B17R1.1507 CCOCC(C)OCCc1ccc(cc1)C#N 34a_100000718985_100012161189 [0,2,0,0,0,0|2,0,0]=4 8297 B17R1.1507 CCOCC(C)OCCc1ccc(cc1)C#N 7a_100000718985_100012161189 [0,2,0,0,0,0|2,0,0]=4 8298 B17R1.1507 CCOCC(C)OCCc1ccc(cc1)OC 34a_100000718985_100000184700 [0,2,0,0,0,0|2,0,0]=4 8299 B17R1.1507 CCOCC(C)OCCc1ccc(cc1)OC 7a_100000718985_100000184700 [0,2,0,0,0,0|2,0,0]=4 8300 B17R1.1507 COc1ccc(cc1)CCOC(C)CCCCl 34a_200000718107_100000184700 [0,2,0,0,0,0|2,0,0]=4 8301 B17R1.1507 COc1ccc(cc1)CCOC(C)CCCCl 7a_200000718107_100000184700 [0,2,0,0,0,0|2,0,0]=4 8302 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)Br 270004a_100000126638_100000691760 [0,2,0,0,0,0|2,0,0]=4 8303 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)C 270004a_100000126638_100000751045 [0,2,0,0,0,0|2,0,0]=4 8304 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)Cl 270004a_100000126638_100000747806 [0,2,0,0,0,0|2,0,0]=4 8305 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)F 270004a_100000126638_100000745281 [0,2,0,0,0,0|2,0,0]=4 8306 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)O 2230a_100102634573_200011215066 [0,2,0,0,0,0|2,0,0]=4 8307 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100000126638_100011218180 [0,2,0,0,0,0|2,0,0]=4 8308 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)O 270004a_100102634573_100000210087 [0,2,0,0,0,0|2,0,0]=4 8309 B17R1.1582 CCCCC(C)NC(C)Cc1ccc(cc1)O 34a_100102634573_200011215066 [0,2,0,0,0,0|2,0,0]=4 8310 B17R1.1582 CCCCC(C)OC(C)Cc1ccc(cc1)F 34a_100011351027_200011215066 [0,2,0,0,0,0|1,0,0]=3 8311 B17R1.1582 CCCCC(C)OC(C)Cc1ccc(cc1)F 7a_100011351027_200011215066 [0,2,0,0,0,0|1,0,0]=3 8312 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)Br 1458a_100000217147_200011215066 [0,2,0,0,0,0|2,0,0]=4 8313 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)Br 1458a_100000725509_100011740612 [0,2,0,0,0,0|2,0,0]=4 8314 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)C 1458a_100000234883_200011215066 [0,2,0,0,0,0|2,0,0]=4 8315 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)C 1458a_100000725509_100011713686 [0,2,0,0,0,0|2,0,0]=4 8316 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)Cl 1458a_100000235379_200011215066 [0,2,0,0,0,0|2,0,0]=4 8317 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)Cl 1458a_100000725509_100011713675 [0,2,0,0,0,0|2,0,0]=4 8318 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)F 1458a_100000198493_200011215066 [0,2,0,0,0,0|2,0,0]=4 8319 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)F 1458a_100000725509_100011217392 [0,2,0,0,0,0|2,0,0]=4 8320 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)I 1458a_100011217499_200011215066 [0,2,0,0,0,0|2,0,0]=4 8321 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)O 1458a_100000725509_100009816426 [0,2,0,0,0,0|2,0,0]=4 8322 B17R1.1606 CCCCC(C)C(=O)CCc1ccc(cc1)O 1458a_100000742835_200011215066 [0,2,0,0,0,0|2,0,0]=4 8323 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Br 2230a_100000752880_200011215066 [0,2,0,0,0,0|2,0,0]=4 8324 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Br 269982a_100000752880_200011215066 [0,2,0,0,0,0|2,0,0]=4 8325 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Br 270004a_100000752880_100000210087 [0,2,0,0,0,0|2,0,0]=4 8326 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Br 34a_100000752880_200011215066 [0,2,0,0,0,0|2,0,0]=4 8327 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Cl 2230a_100000698262_200011215066 [0,2,0,0,0,0|2,0,0]=4 8328 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Cl 269982a_100000698262_200011215066 [0,2,0,0,0,0|2,0,0]=4 8329 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Cl 270004a_100000698262_100000210087 [0,2,0,0,0,0|2,0,0]=4 8330 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)Cl 34a_100000698262_200011215066 [0,2,0,0,0,0|2,0,0]=4 8331 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)F 2230a_100102946585_200011215066 [0,2,0,0,0,0|2,0,0]=4 8332 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)F 269982a_100102946585_200011215066 [0,2,0,0,0,0|2,0,0]=4 8333 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)F 270004a_100102946585_100000210087 [0,2,0,0,0,0|2,0,0]=4 8334 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)F 34a_100102946585_200011215066 [0,2,0,0,0,0|2,0,0]=4 8335 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)O 2230a_100016989440_200011215066 [0,2,0,0,0,0|2,0,0]=4 8336 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)O 269982a_100016989440_200011215066 [0,2,0,0,0,0|2,0,0]=4 8337 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)O 270004a_100016989440_100000210087 [0,2,0,0,0,0|2,0,0]=4 8338 B17R1.1606 CCCCC(C)N(C)CCc1ccc(cc1)O 34a_100016989440_200011215066 [0,2,0,0,0,0|2,0,0]=4 8339 B17R1.1606 CCCOC(C)C(=O)NCc1ccc(cc1)C 34a_100000210258_100000230317 [0,2,0,0,0,0|2,0,0]=4 8340 B17R1.1606 CCCOC(C)C(=O)NCc1ccc(cc1)Cl 34a_100000210258_100000230272 [0,2,0,0,0,0|2,0,0]=4 8341 B17R1.1606 CCCOC(C)C(=O)NCc1ccc(cc1)F 34a_100000210258_100000230310 [0,2,0,0,0,0|2,0,0]=4 8342 B17R1.4909 CC(CCCCl)OCCc1ccc(cc1Cl)Cl 34a_200000718107_200012161198 [0,2,0,0,0,0|2,0,0]=4 8343 B17R1.4909 CC(CCCCl)OCCc1ccc(cc1Cl)Cl 7a_200000718107_200012161198 [0,2,0,0,0,0|2,0,0]=4 8344 B17R1.4909 CCC#CC(C)OCCc1ccc(cc1Br)Cl 34a_100000033903_200012945151 [0,2,0,0,0,0|1,0,1]=4 8345 B17R1.4909 CCC#CC(C)OCCc1ccc(cc1Br)Cl 7a_100000033903_200012945151 [0,2,0,0,0,0|1,0,1]=4 8346 B17R1.4909 CCC#CC(C)OCCc1ccc(cc1Cl)Cl 34a_100000033903_200012161198 [0,2,0,0,0,0|1,0,1]=4 8347 B17R1.4909 CCC#CC(C)OCCc1ccc(cc1Cl)Cl 7a_100000033903_200012161198 [0,2,0,0,0,0|1,0,1]=4 8348 B17R1.4909 CCCCC(C)NCCc1ccc(cc1Br)Cl 2230a_100000126638_200012945151 [0,2,0,0,0,0|2,0,0]=4 8349 B17R1.4909 CCCCC(C)NCCc1ccc(cc1C)C 2230a_100000745621_200011215066 [0,2,0,0,0,0|2,0,0]=4 8350 B17R1.4909 CCCCC(C)NCCc1ccc(cc1C)C 270004a_100000126638_100011754701 [0,2,0,0,0,0|2,0,0]=4 8351 B17R1.4909 CCCCC(C)NCCc1ccc(cc1C)C 270004a_100000745621_100000210087 [0,2,0,0,0,0|2,0,0]=4 8352 B17R1.4909 CCCCC(C)NCCc1ccc(cc1C)C 34a_100000745621_200011215066 [0,2,0,0,0,0|2,0,0]=4 8353 B17R1.4909 CCCCC(C)NCCc1ccc(cc1Cl)Cl 2230a_100000126638_200012161198 [0,2,0,0,0,0|2,0,0]=4 8354 B17R1.4909 CCCCC(C)NCCc1ccc(cc1Cl)Cl 2230a_100000210994_200011215066 [0,2,0,0,0,0|2,0,0]=4 8355 B17R1.4909 CCCCC(C)NCCc1ccc(cc1Cl)Cl 270004a_100000210994_100000210087 [0,2,0,0,0,0|2,0,0]=4 8356 B17R1.4909 CCCCC(C)NCCc1ccc(cc1Cl)Cl 34a_100000210994_200011215066 [0,2,0,0,0,0|2,0,0]=4 8357 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)Cl 2230a_103496529009_200011215066 [0,2,0,0,0,0|2,0,0]=4 8358 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)Cl 270004a_103496529009_100000210087 [0,2,0,0,0,0|2,0,0]=4 8359 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)Cl 34a_103496529009_200011215066 [0,2,0,0,0,0|2,0,0]=4 8360 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)F 2230a_100000754870_200011215066 [0,2,0,0,0,0|2,0,0]=4 8361 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)F 270004a_100000754870_100000210087 [0,2,0,0,0,0|2,0,0]=4 8362 B17R1.4909 CCCCC(C)NCCc1ccc(cc1F)F 34a_100000754870_200011215066 [0,2,0,0,0,0|2,0,0]=4 8363 B17R1.4909 CCCCC(C)OCCc1ccc(cc1Cl)F 34a_100011962860_200011215066 [0,2,0,0,0,0|1,0,0]=3 8364 B17R1.4909 CCCCC(C)OCCc1ccc(cc1Cl)F 7a_100011962860_200011215066 [0,2,0,0,0,0|1,0,0]=3 8365 B17R1.4909 CCCCC(C)OCCc1ccc(cc1F)Br 34a_100011962869_200011215066 [0,2,0,0,0,0|1,0,0]=3 8366 B17R1.4909 CCCCC(C)OCCc1ccc(cc1F)Br 7a_100011962869_200011215066 [0,2,0,0,0,0|1,0,0]=3 8367 B17R1.4909 CCCCC(C)OCCc1ccc(cc1F)F 34a_100000697962_200011215066 [0,2,0,0,0,0|1,0,0]=3 8368 B17R1.4909 CCCCC(C)OCCc1ccc(cc1F)F 7a_100000697962_200011215066 [0,2,0,0,0,0|1,0,0]=3 8369 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Br 207a_100015185124_100012351556 [0,2,0,0,0,0|2,0,0]=4 8370 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Br 2230a_100015185124_200012351560 [0,2,0,0,0,0|2,0,0]=4 8371 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Br 26a_100015185124_100000188717 [0,2,0,0,0,0|2,0,0]=4 8372 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Br 270004a_100015185124_100012351556 [0,2,0,0,0,0|2,0,0]=4 8373 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Br 34a_100015185124_200012351560 [0,2,0,0,0,0|2,0,0]=4 8374 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)C 207a_100015185124_100000692596 [0,2,0,0,0,0|2,0,0]=4 8375 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)C 26a_100015185124_100000210800 [0,2,0,0,0,0|2,0,0]=4 8376 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)C 270004a_100015185124_100000692596 [0,2,0,0,0,0|2,0,0]=4 8377 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Cl 207a_100015185124_100000687667 [0,2,0,0,0,0|2,0,0]=4 8378 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Cl 2230a_100015185124_100000755608 [0,2,0,0,0,0|2,0,0]=4 8379 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Cl 26a_100015185124_100000211998 [0,2,0,0,0,0|2,0,0]=4 8380 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Cl 270004a_100015185124_100000687667 [0,2,0,0,0,0|2,0,0]=4 8381 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)Cl 34a_100015185124_100000755608 [0,2,0,0,0,0|2,0,0]=4 8382 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)F 207a_100015185124_100000685661 [0,2,0,0,0,0|2,0,0]=4 8383 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)F 2230a_100015185124_100000243222 [0,2,0,0,0,0|2,0,0]=4 8384 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)F 26a_100015185124_100000211999 [0,2,0,0,0,0|2,0,0]=4 8385 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)F 270004a_100015185124_100000685661 [0,2,0,0,0,0|2,0,0]=4 8386 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)F 34a_100015185124_100000243222 [0,2,0,0,0,0|2,0,0]=4 8387 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)I 207a_100015185124_100010185650 [0,2,0,0,0,0|2,0,0]=4 8388 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)I 2230a_100015185124_100010146610 [0,2,0,0,0,0|2,0,0]=4 8389 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)I 26a_100015185124_100012361655 [0,2,0,0,0,0|2,0,0]=4 8390 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Br)I 34a_100015185124_100010146610 [0,2,0,0,0,0|2,0,0]=4 8391 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Br 207a_100015185124_100000687586 [0,2,0,0,0,0|2,0,0]=4 8392 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Br 2230a_100015185124_100000708836 [0,2,0,0,0,0|2,0,0]=4 8393 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Br 26a_100015185124_100000186361 [0,2,0,0,0,0|2,0,0]=4 8394 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Br 270004a_100015185124_100000687586 [0,2,0,0,0,0|2,0,0]=4 8395 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Br 34a_100015185124_100000708836 [0,2,0,0,0,0|2,0,0]=4 8396 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)C 207a_100015185124_100000211342 [0,2,0,0,0,0|2,0,0]=4 8397 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)C 2230a_100015185124_100011219618 [0,2,0,0,0,0|2,0,0]=4 8398 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)C 270004a_100015185124_100000211342 [0,2,0,0,0,0|2,0,0]=4 8399 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)C 34a_100015185124_100011219618 [0,2,0,0,0,0|2,0,0]=4 8400 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Cl 207a_100015185124_100000766358 [0,2,0,0,0,0|2,0,0]=4 8401 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Cl 2230a_100015185124_100012361307 [0,2,0,0,0,0|2,0,0]=4 8402 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Cl 270004a_100015185124_100000766358 [0,2,0,0,0,0|2,0,0]=4 8403 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)Cl 34a_100015185124_100012361307 [0,2,0,0,0,0|2,0,0]=4 8404 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)F 207a_100015185124_100000745986 [0,2,0,0,0,0|2,0,0]=4 8405 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)F 2230a_100015185124_100000700533 [0,2,0,0,0,0|2,0,0]=4 8406 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)F 270004a_100015185124_100000745986 [0,2,0,0,0,0|2,0,0]=4 8407 B17R1.4909 CCCOC(C)CNCc1ccc(cc1C)F 34a_100015185124_100000700533 [0,2,0,0,0,0|2,0,0]=4 8408 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Br 207a_100015185124_100000764164 [0,2,0,0,0,0|2,0,0]=4 8409 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Br 2230a_100015185124_100011740631 [0,2,0,0,0,0|2,0,0]=4 8410 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Br 26a_100015185124_100000186472 [0,2,0,0,0,0|2,0,0]=4 8411 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Br 270004a_100015185124_100000764164 [0,2,0,0,0,0|2,0,0]=4 8412 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Br 34a_100015185124_100011740631 [0,2,0,0,0,0|2,0,0]=4 8413 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)C 207a_100015185124_100011935181 [0,2,0,0,0,0|2,0,0]=4 8414 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)C 2230a_100015185124_100012349684 [0,2,0,0,0,0|2,0,0]=4 8415 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)C 26a_100015185124_100000749699 [0,2,0,0,0,0|2,0,0]=4 8416 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)C 270004a_100015185124_100011935181 [0,2,0,0,0,0|2,0,0]=4 8417 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)C 34a_100015185124_100012349684 [0,2,0,0,0,0|2,0,0]=4 8418 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Cl 207a_100015185124_100000188887 [0,2,0,0,0,0|2,0,0]=4 8419 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Cl 2230a_100015185124_100000188473 [0,2,0,0,0,0|2,0,0]=4 8420 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Cl 26a_100015185124_100015191787 [0,2,0,0,0,0|2,0,0]=4 8421 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Cl 270004a_100015185124_100000188887 [0,2,0,0,0,0|2,0,0]=4 8422 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)Cl 34a_100015185124_100000188473 [0,2,0,0,0,0|2,0,0]=4 8423 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)F 207a_100015185124_100000752949 [0,2,0,0,0,0|2,0,0]=4 8424 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)F 2230a_100015185124_100011216360 [0,2,0,0,0,0|2,0,0]=4 8425 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)F 26a_100015185124_100000212004 [0,2,0,0,0,0|2,0,0]=4 8426 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)F 270004a_100015185124_100000752949 [0,2,0,0,0,0|2,0,0]=4 8427 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)F 34a_100015185124_100011216360 [0,2,0,0,0,0|2,0,0]=4 8428 B17R1.4909 CCCOC(C)CNCc1ccc(cc1Cl)I 207a_100015185124_100000727542 [0,2,0,0,0,0|2,0,0]=4 8429 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Br 207a_100015185124_100000211676 [0,2,0,0,0,0|2,0,0]=4 8430 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Br 2230a_100015185124_100000211606 [0,2,0,0,0,0|2,0,0]=4 8431 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Br 26a_100015185124_100000185481 [0,2,0,0,0,0|2,0,0]=4 8432 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Br 270004a_100015185124_100000211676 [0,2,0,0,0,0|2,0,0]=4 8433 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Br 34a_100015185124_100000211606 [0,2,0,0,0,0|2,0,0]=4 8434 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)C 207a_100015185124_100011217368 [0,2,0,0,0,0|2,0,0]=4 8435 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)C 2230a_100015185124_100011217900 [0,2,0,0,0,0|2,0,0]=4 8436 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)C 270004a_100015185124_100011217368 [0,2,0,0,0,0|2,0,0]=4 8437 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)C 34a_100015185124_100012002367 [0,2,0,0,0,0|2,0,0]=4 8438 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Cl 207a_100015185124_100000697372 [0,2,0,0,0,0|2,0,0]=4 8439 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Cl 2230a_100015185124_100000709361 [0,2,0,0,0,0|2,0,0]=4 8440 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Cl 270004a_100015185124_100000697372 [0,2,0,0,0,0|2,0,0]=4 8441 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)Cl 34a_100015185124_100000709361 [0,2,0,0,0,0|2,0,0]=4 8442 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)F 207a_100015185124_100000211964 [0,2,0,0,0,0|2,0,0]=4 8443 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)F 2230a_100015185124_100000748237 [0,2,0,0,0,0|2,0,0]=4 8444 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)F 270004a_100015185124_100000211964 [0,2,0,0,0,0|2,0,0]=4 8445 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)F 34a_100015185124_100000748237 [0,2,0,0,0,0|2,0,0]=4 8446 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)I 207a_100015185124_100000050965 [0,2,0,0,0,0|2,0,0]=4 8447 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)I 2230a_100015185124_100010244991 [0,2,0,0,0,0|2,0,0]=4 8448 B17R1.4909 CCCOC(C)CNCc1ccc(cc1F)I 34a_100015185124_100010244991 [0,2,0,0,0,0|2,0,0]=4 8449 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Br 207a_100015185124_100010146562 [0,2,0,0,0,0|2,0,0]=4 8450 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Br 2230a_100015185124_100010146615 [0,2,0,0,0,0|2,0,0]=4 8451 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Br 26a_100015185124_100012355227 [0,2,0,0,0,0|2,0,0]=4 8452 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Br 270004a_100015185124_100010146562 [0,2,0,0,0,0|2,0,0]=4 8453 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Br 34a_100015185124_100010146615 [0,2,0,0,0,0|2,0,0]=4 8454 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)C 207a_100015185124_100010150104 [0,2,0,0,0,0|2,0,0]=4 8455 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)C 270004a_100015185124_100010150104 [0,2,0,0,0,0|2,0,0]=4 8456 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Cl 2230a_100015185124_100010254388 [0,2,0,0,0,0|2,0,0]=4 8457 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)Cl 34a_100015185124_100010254388 [0,2,0,0,0,0|2,0,0]=4 8458 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)F 207a_100015185124_100010254405 [0,2,0,0,0,0|2,0,0]=4 8459 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)F 2230a_100015185124_100012354799 [0,2,0,0,0,0|2,0,0]=4 8460 B17R1.4909 CCCOC(C)CNCc1ccc(cc1I)F 34a_100015185124_100012354799 [0,2,0,0,0,0|2,0,0]=4 8461 B17R1.4909 CCOCC(C)OCCc1ccc(cc1Br)Cl 34a_100000718985_200012945151 [0,2,0,0,0,0|2,0,0]=4 8462 B17R1.4909 CCOCC(C)OCCc1ccc(cc1Br)Cl 7a_100000718985_200012945151 [0,2,0,0,0,0|2,0,0]=4 8463 B17R1.4909 CCOCC(C)OCCc1ccc(cc1Cl)Cl 34a_100000718985_200012161198 [0,2,0,0,0,0|2,0,0]=4 8464 B17R1.4909 CCOCC(C)OCCc1ccc(cc1Cl)Cl 7a_100000718985_200012161198 [0,2,0,0,0,0|2,0,0]=4 8465 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)Cl)Cl 34a_200000718107_100011713676 [0,2,0,0,0,0|2,0,0]=4 8466 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)Cl)Cl 7a_200000718107_100011713676 [0,2,0,0,0,0|2,0,0]=4 8467 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)Cl)F 34a_200000718107_100012361305 [0,2,0,0,0,0|2,0,0]=4 8468 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)Cl)F 7a_200000718107_100012361305 [0,2,0,0,0,0|2,0,0]=4 8469 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)F)F 34a_200000718107_100000690553 [0,2,0,0,0,0|2,0,0]=4 8470 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)F)F 7a_200000718107_100000690553 [0,2,0,0,0,0|2,0,0]=4 8471 B17R1.30229 CC(CCCCl)OCCc1ccc(c(c1)O)O 7a_200000718107_200010393615 [0,2,0,0,0,0|2,0,0]=4 8472 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)Cl)Cl 34a_100000033903_100011713676 [0,2,0,0,0,0|1,0,1]=4 8473 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)Cl)Cl 7a_100000033903_100011713676 [0,2,0,0,0,0|1,0,1]=4 8474 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)Cl)F 34a_100000033903_100012361305 [0,2,0,0,0,0|1,0,1]=4 8475 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)Cl)F 7a_100000033903_100012361305 [0,2,0,0,0,0|1,0,1]=4 8476 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)F)F 34a_100000033903_100000690553 [0,2,0,0,0,0|1,0,1]=4 8477 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)F)F 7a_100000033903_100000690553 [0,2,0,0,0,0|1,0,1]=4 8478 B17R1.30229 CCC#CC(C)OCCc1ccc(c(c1)O)O 7a_100000033903_200010393615 [0,2,0,0,0,0|1,0,1]=4 8479 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)C)C 2230a_100020591374_200011215066 [0,2,0,0,0,0|2,0,0]=4 8480 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)C)C 270004a_100020591374_100000210087 [0,2,0,0,0,0|2,0,0]=4 8481 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)C)C 34a_100020591374_200011215066 [0,2,0,0,0,0|2,0,0]=4 8482 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100000126638_100011713676 [0,2,0,0,0,0|2,0,0]=4 8483 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)Cl 2230a_100011207230_200011215066 [0,2,0,0,0,0|2,0,0]=4 8484 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)Cl 270004a_100011207230_100000210087 [0,2,0,0,0,0|2,0,0]=4 8485 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)Cl 34a_100011207230_200011215066 [0,2,0,0,0,0|2,0,0]=4 8486 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)F 2230a_100000126638_100012361305 [0,2,0,0,0,0|2,0,0]=4 8487 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)F 2230a_200011997520_200011215066 [0,2,0,0,0,0|2,0,0]=4 8488 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)F 270004a_200011997520_100000210087 [0,2,0,0,0,0|2,0,0]=4 8489 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)Cl)F 34a_200011997520_200011215066 [0,2,0,0,0,0|2,0,0]=4 8490 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)F)F 2230a_100000126638_100000690553 [0,2,0,0,0,0|2,0,0]=4 8491 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)F)F 2230a_200000706328_200011215066 [0,2,0,0,0,0|2,0,0]=4 8492 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)F)F 270004a_200000706328_100000210087 [0,2,0,0,0,0|2,0,0]=4 8493 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)F)F 34a_200000706328_200011215066 [0,2,0,0,0,0|2,0,0]=4 8494 B17R1.30229 CCCCC(C)NCCc1ccc(c(c1)O)O 34a_100000210387_200011215066 [0,2,0,0,0,0|2,0,0]=4 8495 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)Cl)F 34a_100000687866_100012361305 [0,2,0,0,0,0|1,0,0]=3 8496 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)Cl)F 34a_100011830478_200011215066 [0,2,0,0,0,0|1,0,0]=3 8497 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)Cl)F 7a_100000687866_100012361305 [0,2,0,0,0,0|1,0,0]=3 8498 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)Cl)F 7a_100011830478_200011215066 [0,2,0,0,0,0|1,0,0]=3 8499 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)Br 34a_100012921202_200011215066 [0,2,0,0,0,0|1,0,0]=3 8500 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)Br 7a_100012921202_200011215066 [0,2,0,0,0,0|1,0,0]=3 8501 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)Cl 34a_100011934464_200011215066 [0,2,0,0,0,0|1,0,0]=3 8502 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)Cl 7a_100011934464_200011215066 [0,2,0,0,0,0|1,0,0]=3 8503 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)F 34a_100000687866_100000690553 [0,2,0,0,0,0|1,0,0]=3 8504 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)F 34a_100000690376_200011215066 [0,2,0,0,0,0|1,0,0]=3 8505 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)F 7a_100000687866_100000690553 [0,2,0,0,0,0|1,0,0]=3 8506 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)F)F 7a_100000690376_200011215066 [0,2,0,0,0,0|1,0,0]=3 8507 B17R1.30229 CCCCC(C)OCCc1ccc(c(c1)O)O 7a_100000687866_200010393615 [0,2,0,0,0,0|1,0,0]=3 8508 B17R1.30229 CCCCC(C)SCCc1ccc(c(c1)F)F 62a_100000690553_200011215066 [0,2,0,0,0,0|1,1,0]=4 8509 B17R1.30229 CCCCC(C)SCCc1ccc(c(c1)F)F 62a_200011215066_100000690553 [0,2,0,0,0,0|1,1,0]=4 8510 B17R1.30229 CCCCC(C)SCCc1ccc(c(c1)O)O 62a_200011215066_200010393615 [0,2,0,0,0,0|1,1,0]=4 8511 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Br 207a_100015185124_100011215943 [0,2,0,0,0,0|2,0,0]=4 8512 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Br 2230a_100015185124_100012353900 [0,2,0,0,0,0|2,0,0]=4 8513 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Br 270004a_100015185124_100011215943 [0,2,0,0,0,0|2,0,0]=4 8514 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Br 34a_100015185124_100012353900 [0,2,0,0,0,0|2,0,0]=4 8515 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)C 207a_100015185124_100000695567 [0,2,0,0,0,0|2,0,0]=4 8516 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)C 2230a_100015185124_100012232412 [0,2,0,0,0,0|2,0,0]=4 8517 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)C 26a_100015185124_100011380479 [0,2,0,0,0,0|2,0,0]=4 8518 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)C 270004a_100015185124_100000695567 [0,2,0,0,0,0|2,0,0]=4 8519 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)C 34a_100015185124_100012232412 [0,2,0,0,0,0|2,0,0]=4 8520 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Cl 207a_100015185124_100000693810 [0,2,0,0,0,0|2,0,0]=4 8521 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Cl 2230a_100015185124_100012353894 [0,2,0,0,0,0|2,0,0]=4 8522 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Cl 26a_100015185124_100011933957 [0,2,0,0,0,0|2,0,0]=4 8523 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Cl 270004a_100015185124_100000693810 [0,2,0,0,0,0|2,0,0]=4 8524 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)Cl 34a_100015185124_100012353894 [0,2,0,0,0,0|2,0,0]=4 8525 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)F 207a_100015185124_100000211747 [0,2,0,0,0,0|2,0,0]=4 8526 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)F 2230a_100015185124_100011206884 [0,2,0,0,0,0|2,0,0]=4 8527 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)F 26a_100015185124_100000693481 [0,2,0,0,0,0|2,0,0]=4 8528 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)F 270004a_100015185124_100000211747 [0,2,0,0,0,0|2,0,0]=4 8529 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)F 34a_100015185124_100011206884 [0,2,0,0,0,0|2,0,0]=4 8530 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Br)I 26a_100015185124_100000701344 [0,2,0,0,0,0|2,0,0]=4 8531 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Br 207a_100015185124_100000765772 [0,2,0,0,0,0|2,0,0]=4 8532 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Br 2230a_100015185124_100000727479 [0,2,0,0,0,0|2,0,0]=4 8533 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Br 26a_100015185124_100000690111 [0,2,0,0,0,0|2,0,0]=4 8534 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Br 270004a_100015185124_100000765772 [0,2,0,0,0,0|2,0,0]=4 8535 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Br 34a_100015185124_100000727479 [0,2,0,0,0,0|2,0,0]=4 8536 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)C 207a_100015185124_100000229942 [0,2,0,0,0,0|2,0,0]=4 8537 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)C 2230a_100015185124_100000742320 [0,2,0,0,0,0|2,0,0]=4 8538 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)C 270004a_100015185124_100000229942 [0,2,0,0,0,0|2,0,0]=4 8539 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)C 34a_100015185124_100000742320 [0,2,0,0,0,0|2,0,0]=4 8540 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Cl 207a_100015185124_100000698814 [0,2,0,0,0,0|2,0,0]=4 8541 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Cl 2230a_100015185124_100012184735 [0,2,0,0,0,0|2,0,0]=4 8542 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Cl 26a_100015185124_100000211092 [0,2,0,0,0,0|2,0,0]=4 8543 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Cl 270004a_100015185124_100000698814 [0,2,0,0,0,0|2,0,0]=4 8544 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)Cl 34a_100015185124_100012184735 [0,2,0,0,0,0|2,0,0]=4 8545 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)F 207a_100015185124_100000748208 [0,2,0,0,0,0|2,0,0]=4 8546 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)F 2230a_100015185124_100011216667 [0,2,0,0,0,0|2,0,0]=4 8547 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)F 270004a_100015185124_100000748208 [0,2,0,0,0,0|2,0,0]=4 8548 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)C)F 34a_100015185124_100011216667 [0,2,0,0,0,0|2,0,0]=4 8549 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Br 207a_100015185124_100000690054 [0,2,0,0,0,0|2,0,0]=4 8550 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Br 2230a_100015185124_100012353895 [0,2,0,0,0,0|2,0,0]=4 8551 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Br 26a_100015185124_100011215161 [0,2,0,0,0,0|2,0,0]=4 8552 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Br 270004a_100015185124_100000690054 [0,2,0,0,0,0|2,0,0]=4 8553 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Br 34a_100015185124_100012353895 [0,2,0,0,0,0|2,0,0]=4 8554 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)C 207a_100015185124_100000760539 [0,2,0,0,0,0|2,0,0]=4 8555 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)C 2230a_100015185124_100011823929 [0,2,0,0,0,0|2,0,0]=4 8556 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)C 26a_100015185124_100011265682 [0,2,0,0,0,0|2,0,0]=4 8557 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)C 270004a_100015185124_100000760539 [0,2,0,0,0,0|2,0,0]=4 8558 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)C 34a_100015185124_100011823929 [0,2,0,0,0,0|2,0,0]=4 8559 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Cl 207a_100015185124_100000188533 [0,2,0,0,0,0|2,0,0]=4 8560 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Cl 2230a_100015185124_100000184707 [0,2,0,0,0,0|2,0,0]=4 8561 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Cl 26a_100015185124_100000211054 [0,2,0,0,0,0|2,0,0]=4 8562 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Cl 270004a_100015185124_100000188533 [0,2,0,0,0,0|2,0,0]=4 8563 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)Cl 34a_100015185124_100000184707 [0,2,0,0,0,0|2,0,0]=4 8564 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)F 207a_100015185124_100000742290 [0,2,0,0,0,0|2,0,0]=4 8565 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)F 2230a_100015185124_100000717365 [0,2,0,0,0,0|2,0,0]=4 8566 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)F 26a_100015185124_100000211030 [0,2,0,0,0,0|2,0,0]=4 8567 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)F 270004a_100015185124_100000742290 [0,2,0,0,0,0|2,0,0]=4 8568 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)F 34a_100015185124_100011934319 [0,2,0,0,0,0|2,0,0]=4 8569 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)I 2230a_100015185124_100012349665 [0,2,0,0,0,0|2,0,0]=4 8570 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)I 26a_100015185124_100000047559 [0,2,0,0,0,0|2,0,0]=4 8571 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)Cl)I 34a_100015185124_100012349665 [0,2,0,0,0,0|2,0,0]=4 8572 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Br 207a_100015185124_100000686674 [0,2,0,0,0,0|2,0,0]=4 8573 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Br 2230a_100015185124_100000767054 [0,2,0,0,0,0|2,0,0]=4 8574 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Br 26a_100015185124_100000755031 [0,2,0,0,0,0|2,0,0]=4 8575 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Br 270004a_100015185124_100000686674 [0,2,0,0,0,0|2,0,0]=4 8576 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Br 34a_100015185124_100000767054 [0,2,0,0,0,0|2,0,0]=4 8577 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)C 207a_100015185124_100000753222 [0,2,0,0,0,0|2,0,0]=4 8578 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)C 2230a_100015185124_100011217369 [0,2,0,0,0,0|2,0,0]=4 8579 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)C 270004a_100015185124_100000753222 [0,2,0,0,0,0|2,0,0]=4 8580 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)C 34a_100015185124_100011217369 [0,2,0,0,0,0|2,0,0]=4 8581 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Cl 207a_100015185124_100000745630 [0,2,0,0,0,0|2,0,0]=4 8582 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Cl 2230a_100015185124_100000716492 [0,2,0,0,0,0|2,0,0]=4 8583 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Cl 26a_100015185124_100000691581 [0,2,0,0,0,0|2,0,0]=4 8584 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Cl 270004a_100015185124_100000745630 [0,2,0,0,0,0|2,0,0]=4 8585 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)Cl 34a_100015185124_100011519011 [0,2,0,0,0,0|2,0,0]=4 8586 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)F 207a_100015185124_100000211062 [0,2,0,0,0,0|2,0,0]=4 8587 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)F 2230a_100015185124_100000757363 [0,2,0,0,0,0|2,0,0]=4 8588 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)F 270004a_100015185124_100000211062 [0,2,0,0,0,0|2,0,0]=4 8589 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)F 34a_100015185124_100000757363 [0,2,0,0,0,0|2,0,0]=4 8590 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)I 207a_100015185124_100000050832 [0,2,0,0,0,0|2,0,0]=4 8591 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)I 2230a_100015185124_100010149604 [0,2,0,0,0,0|2,0,0]=4 8592 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)I 270004a_100015185124_100000050832 [0,2,0,0,0,0|2,0,0]=4 8593 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)F)I 34a_100015185124_100010149604 [0,2,0,0,0,0|2,0,0]=4 8594 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Br 207a_100015185124_100010146563 [0,2,0,0,0,0|2,0,0]=4 8595 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Br 2230a_100015185124_100010146616 [0,2,0,0,0,0|2,0,0]=4 8596 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Br 26a_100015185124_100012339312 [0,2,0,0,0,0|2,0,0]=4 8597 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Br 270004a_100015185124_100010146563 [0,2,0,0,0,0|2,0,0]=4 8598 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Br 34a_100015185124_100010146616 [0,2,0,0,0,0|2,0,0]=4 8599 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)C 207a_100015185124_100010197721 [0,2,0,0,0,0|2,0,0]=4 8600 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)C 2230a_100015185124_100010206137 [0,2,0,0,0,0|2,0,0]=4 8601 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)C 270004a_100015185124_100010197721 [0,2,0,0,0,0|2,0,0]=4 8602 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)C 34a_100015185124_100010206137 [0,2,0,0,0,0|2,0,0]=4 8603 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Cl 207a_100015185124_100010209939 [0,2,0,0,0,0|2,0,0]=4 8604 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Cl 26a_100015185124_100000049588 [0,2,0,0,0,0|2,0,0]=4 8605 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)Cl 270004a_100015185124_100010209939 [0,2,0,0,0,0|2,0,0]=4 8606 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)F 207a_100015185124_100010188209 [0,2,0,0,0,0|2,0,0]=4 8607 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)F 2230a_100015185124_100010188208 [0,2,0,0,0,0|2,0,0]=4 8608 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)F 270004a_100015185124_100010188209 [0,2,0,0,0,0|2,0,0]=4 8609 B17R1.30229 CCCOC(C)CNCc1ccc(c(c1)I)F 34a_100015185124_100010188208 [0,2,0,0,0,0|2,0,0]=4 8610 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)Cl)Cl 34a_100000718985_100011713676 [0,2,0,0,0,0|2,0,0]=4 8611 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)Cl)Cl 7a_100000718985_100011713676 [0,2,0,0,0,0|2,0,0]=4 8612 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)Cl)F 34a_100000718985_100012361305 [0,2,0,0,0,0|2,0,0]=4 8613 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)Cl)F 7a_100000718985_100012361305 [0,2,0,0,0,0|2,0,0]=4 8614 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)F)F 34a_100000718985_100000690553 [0,2,0,0,0,0|2,0,0]=4 8615 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)F)F 7a_100000718985_100000690553 [0,2,0,0,0,0|2,0,0]=4 8616 B17R1.30229 CCOCC(C)OCCc1ccc(c(c1)O)O 7a_100000718985_200010393615 [0,2,0,0,0,0|2,0,0]=4 8617 B17R1.84 CC(CCCCl)OCCc1cccc(c1Cl)Cl 34a_200000718107_100000723033 [0,2,0,0,0,0|2,0,0]=4 8618 B17R1.84 CC(CCCCl)OCCc1cccc(c1Cl)Cl 7a_200000718107_100000723033 [0,2,0,0,0,0|2,0,0]=4 8619 B17R1.84 CCC#CC(C)OCCc1cccc(c1Cl)Cl 34a_100000033903_100000723033 [0,2,0,0,0,0|1,0,1]=4 8620 B17R1.84 CCC#CC(C)OCCc1cccc(c1Cl)Cl 7a_100000033903_100000723033 [0,2,0,0,0,0|1,0,1]=4 8621 B17R1.84 CCCCC(C)NCCc1cccc(c1C)Br 2230a_100161000114_200011215066 [0,2,0,0,0,0|2,0,0]=4 8622 B17R1.84 CCCCC(C)NCCc1cccc(c1C)Br 270004a_100161000114_100000210087 [0,2,0,0,0,0|2,0,0]=4 8623 B17R1.84 CCCCC(C)NCCc1cccc(c1C)Br 34a_100161000114_200011215066 [0,2,0,0,0,0|2,0,0]=4 8624 B17R1.84 CCCCC(C)NCCc1cccc(c1Cl)Cl 2230a_100000126638_100000723033 [0,2,0,0,0,0|2,0,0]=4 8625 B17R1.84 CCCCC(C)NCCc1cccc(c1Cl)Cl 2230a_100000741019_200011215066 [0,2,0,0,0,0|2,0,0]=4 8626 B17R1.84 CCCCC(C)NCCc1cccc(c1Cl)Cl 270004a_100000741019_100000210087 [0,2,0,0,0,0|2,0,0]=4 8627 B17R1.84 CCCCC(C)NCCc1cccc(c1Cl)Cl 34a_100000741019_200011215066 [0,2,0,0,0,0|2,0,0]=4 8628 B17R1.84 CCCCC(C)OCCc1cccc(c1F)Cl 34a_100011830271_200011215066 [0,2,0,0,0,0|1,0,0]=3 8629 B17R1.84 CCCCC(C)OCCc1cccc(c1F)Cl 7a_100011830271_200011215066 [0,2,0,0,0,0|1,0,0]=3 8630 B17R1.84 CCCCC(C)OCCc1cccc(c1F)F 34a_100000698707_200011215066 [0,2,0,0,0,0|1,0,0]=3 8631 B17R1.84 CCCCC(C)OCCc1cccc(c1F)F 7a_100000698707_200011215066 [0,2,0,0,0,0|1,0,0]=3 8632 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Br 207a_100015185124_100010240334 [0,2,0,0,0,0|2,0,0]=4 8633 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Br 26a_100015185124_100010187966 [0,2,0,0,0,0|2,0,0]=4 8634 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Br 270004a_100015185124_100010240334 [0,2,0,0,0,0|2,0,0]=4 8635 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)C 207a_100015185124_100012186367 [0,2,0,0,0,0|2,0,0]=4 8636 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)C 2230a_100015185124_200012349612 [0,2,0,0,0,0|2,0,0]=4 8637 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)C 26a_100015185124_100000686692 [0,2,0,0,0,0|2,0,0]=4 8638 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)C 270004a_100015185124_100012186367 [0,2,0,0,0,0|2,0,0]=4 8639 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)C 34a_100015185124_200012349612 [0,2,0,0,0,0|2,0,0]=4 8640 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Cl 207a_100015185124_100010232083 [0,2,0,0,0,0|2,0,0]=4 8641 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Cl 2230a_100015185124_100010145525 [0,2,0,0,0,0|2,0,0]=4 8642 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Cl 26a_100015185124_100012348804 [0,2,0,0,0,0|2,0,0]=4 8643 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Cl 270004a_100015185124_100010232083 [0,2,0,0,0,0|2,0,0]=4 8644 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)Cl 34a_100015185124_100010145525 [0,2,0,0,0,0|2,0,0]=4 8645 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)F 207a_100015185124_100011934749 [0,2,0,0,0,0|2,0,0]=4 8646 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)F 2230a_100015185124_100012351116 [0,2,0,0,0,0|2,0,0]=4 8647 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)F 26a_100015185124_100009820682 [0,2,0,0,0,0|2,0,0]=4 8648 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)F 270004a_100015185124_100011934749 [0,2,0,0,0,0|2,0,0]=4 8649 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)F 34a_100015185124_100012351116 [0,2,0,0,0,0|2,0,0]=4 8650 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)I 2230a_100015185124_100010254545 [0,2,0,0,0,0|2,0,0]=4 8651 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)I 26a_100015185124_100010187914 [0,2,0,0,0,0|2,0,0]=4 8652 B17R1.84 CCCOC(C)CNCc1cccc(c1Br)I 34a_100015185124_100010254545 [0,2,0,0,0,0|2,0,0]=4 8653 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Br 207a_100015185124_100012179384 [0,2,0,0,0,0|2,0,0]=4 8654 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Br 2230a_100015185124_100000694682 [0,2,0,0,0,0|2,0,0]=4 8655 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Br 26a_100015185124_100012002258 [0,2,0,0,0,0|2,0,0]=4 8656 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Br 270004a_100015185124_100012179384 [0,2,0,0,0,0|2,0,0]=4 8657 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Br 34a_100015185124_100000694682 [0,2,0,0,0,0|2,0,0]=4 8658 B17R1.84 CCCOC(C)CNCc1cccc(c1C)C 207a_100015185124_100000229941 [0,2,0,0,0,0|2,0,0]=4 8659 B17R1.84 CCCOC(C)CNCc1cccc(c1C)C 2230a_100015185124_100011515928 [0,2,0,0,0,0|2,0,0]=4 8660 B17R1.84 CCCOC(C)CNCc1cccc(c1C)C 270004a_100015185124_100000229941 [0,2,0,0,0,0|2,0,0]=4 8661 B17R1.84 CCCOC(C)CNCc1cccc(c1C)C 34a_100015185124_100011273979 [0,2,0,0,0,0|2,0,0]=4 8662 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Cl 207a_100015185124_100012002129 [0,2,0,0,0,0|2,0,0]=4 8663 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Cl 2230a_100015185124_100012186920 [0,2,0,0,0,0|2,0,0]=4 8664 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Cl 270004a_100015185124_100012002129 [0,2,0,0,0,0|2,0,0]=4 8665 B17R1.84 CCCOC(C)CNCc1cccc(c1C)Cl 34a_100015185124_100012186920 [0,2,0,0,0,0|2,0,0]=4 8666 B17R1.84 CCCOC(C)CNCc1cccc(c1C)F 207a_100015185124_100000037668 [0,2,0,0,0,0|2,0,0]=4 8667 B17R1.84 CCCOC(C)CNCc1cccc(c1C)F 2230a_100015185124_100009813626 [0,2,0,0,0,0|2,0,0]=4 8668 B17R1.84 CCCOC(C)CNCc1cccc(c1C)F 270004a_100015185124_100000037668 [0,2,0,0,0,0|2,0,0]=4 8669 B17R1.84 CCCOC(C)CNCc1cccc(c1C)F 34a_100015185124_100009813626 [0,2,0,0,0,0|2,0,0]=4 8670 B17R1.84 CCCOC(C)CNCc1cccc(c1C)I 2230a_100015185124_100010150147 [0,2,0,0,0,0|2,0,0]=4 8671 B17R1.84 CCCOC(C)CNCc1cccc(c1C)I 34a_100015185124_100010150147 [0,2,0,0,0,0|2,0,0]=4 8672 B17R1.84 CCCOC(C)CNCc1cccc(c1C)O 270004a_100015185124_100009868165 [0,2,0,0,0,0|2,0,0]=4 8673 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Br 207a_100015185124_100012362481 [0,2,0,0,0,0|2,0,0]=4 8674 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Br 2230a_100015185124_100012349491 [0,2,0,0,0,0|2,0,0]=4 8675 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Br 26a_100015185124_100010187913 [0,2,0,0,0,0|2,0,0]=4 8676 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Br 270004a_100015185124_100012362481 [0,2,0,0,0,0|2,0,0]=4 8677 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Br 34a_100015185124_100012349491 [0,2,0,0,0,0|2,0,0]=4 8678 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)C 207a_100015185124_100012017286 [0,2,0,0,0,0|2,0,0]=4 8679 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)C 26a_100015185124_100000695629 [0,2,0,0,0,0|2,0,0]=4 8680 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)C 270004a_100015185124_100012017286 [0,2,0,0,0,0|2,0,0]=4 8681 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Cl 207a_100015185124_100000210504 [0,2,0,0,0,0|2,0,0]=4 8682 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Cl 2230a_100015185124_100000723366 [0,2,0,0,0,0|2,0,0]=4 8683 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Cl 26a_100015185124_100000211076 [0,2,0,0,0,0|2,0,0]=4 8684 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Cl 270004a_100015185124_100000210504 [0,2,0,0,0,0|2,0,0]=4 8685 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)Cl 34a_100015185124_100000723366 [0,2,0,0,0,0|2,0,0]=4 8686 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)F 207a_100015185124_100011998484 [0,2,0,0,0,0|2,0,0]=4 8687 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)F 2230a_100015185124_100000696688 [0,2,0,0,0,0|2,0,0]=4 8688 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)F 26a_100015185124_100000087408 [0,2,0,0,0,0|2,0,0]=4 8689 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)F 270004a_100015185124_100011998484 [0,2,0,0,0,0|2,0,0]=4 8690 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)F 34a_100015185124_100000696688 [0,2,0,0,0,0|2,0,0]=4 8691 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)I 26a_100015185124_100000049636 [0,2,0,0,0,0|2,0,0]=4 8692 B17R1.84 CCCOC(C)CNCc1cccc(c1Cl)O 270004a_100015185124_100000050521 [0,2,0,0,0,0|2,0,0]=4 8693 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Br 207a_100015185124_100011361543 [0,2,0,0,0,0|2,0,0]=4 8694 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Br 2230a_100015185124_100012356506 [0,2,0,0,0,0|2,0,0]=4 8695 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Br 26a_100015185124_100009817021 [0,2,0,0,0,0|2,0,0]=4 8696 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Br 270004a_100015185124_100011361543 [0,2,0,0,0,0|2,0,0]=4 8697 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Br 34a_100015185124_100012356506 [0,2,0,0,0,0|2,0,0]=4 8698 B17R1.84 CCCOC(C)CNCc1cccc(c1F)C 207a_100015185124_100011219516 [0,2,0,0,0,0|2,0,0]=4 8699 B17R1.84 CCCOC(C)CNCc1cccc(c1F)C 2230a_100015185124_100011216058 [0,2,0,0,0,0|2,0,0]=4 8700 B17R1.84 CCCOC(C)CNCc1cccc(c1F)C 270004a_100015185124_100011219516 [0,2,0,0,0,0|2,0,0]=4 8701 B17R1.84 CCCOC(C)CNCc1cccc(c1F)C 34a_100015185124_100011216058 [0,2,0,0,0,0|2,0,0]=4 8702 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Cl 207a_100015185124_100000766533 [0,2,0,0,0,0|2,0,0]=4 8703 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Cl 2230a_100015185124_100000716733 [0,2,0,0,0,0|2,0,0]=4 8704 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Cl 26a_100015185124_100000687438 [0,2,0,0,0,0|2,0,0]=4 8705 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Cl 270004a_100015185124_100000766533 [0,2,0,0,0,0|2,0,0]=4 8706 B17R1.84 CCCOC(C)CNCc1cccc(c1F)Cl 34a_100015185124_100000716733 [0,2,0,0,0,0|2,0,0]=4 8707 B17R1.84 CCCOC(C)CNCc1cccc(c1F)F 207a_100015185124_100000753312 [0,2,0,0,0,0|2,0,0]=4 8708 B17R1.84 CCCOC(C)CNCc1cccc(c1F)F 2230a_100015185124_100000217499 [0,2,0,0,0,0|2,0,0]=4 8709 B17R1.84 CCCOC(C)CNCc1cccc(c1F)F 270004a_100015185124_100000753312 [0,2,0,0,0,0|2,0,0]=4 8710 B17R1.84 CCCOC(C)CNCc1cccc(c1F)F 34a_100015185124_100000217499 [0,2,0,0,0,0|2,0,0]=4 8711 B17R1.84 CCCOC(C)CNCc1cccc(c1F)I 207a_100015185124_100010202174 [0,2,0,0,0,0|2,0,0]=4 8712 B17R1.84 CCCOC(C)CNCc1cccc(c1F)I 270004a_100015185124_100010202174 [0,2,0,0,0,0|2,0,0]=4 8713 B17R1.84 CCCOC(C)CNCc1cccc(c1I)Br 26a_100015185124_100010187912 [0,2,0,0,0,0|2,0,0]=4 8714 B17R1.84 CCCOC(C)CNCc1cccc(c1I)F 207a_100015185124_100010186293 [0,2,0,0,0,0|2,0,0]=4 8715 B17R1.84 CCCOC(C)CNCc1cccc(c1I)F 2230a_100015185124_100010149603 [0,2,0,0,0,0|2,0,0]=4 8716 B17R1.84 CCCOC(C)CNCc1cccc(c1I)F 270004a_100015185124_100010186293 [0,2,0,0,0,0|2,0,0]=4 8717 B17R1.84 CCCOC(C)CNCc1cccc(c1I)F 34a_100015185124_100010149603 [0,2,0,0,0,0|2,0,0]=4 8718 B17R1.84 CCOCC(C)OCCc1cccc(c1Cl)Cl 34a_100000718985_100000723033 [0,2,0,0,0,0|2,0,0]=4 8719 B17R1.84 CCOCC(C)OCCc1cccc(c1Cl)Cl 7a_100000718985_100000723033 [0,2,0,0,0,0|2,0,0]=4 8720 B17R1.749 CCCCC(C)NCC(O)c1cccc(c1)O 2230a_100020657549_200011215066 [0,2,0,0,0,0|2,0,0]=4 8721 B17R1.749 CCCCC(C)NCC(O)c1cccc(c1)O 270004a_100020657549_100000210087 [0,2,0,0,0,0|2,0,0]=4 8722 B17R1.749 CCCCC(C)NCC(O)c1cccc(c1)O 34a_100020657549_200011215066 [0,2,0,0,0,0|2,0,0]=4 8723 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Br 34a_100000687866_100000212080 [0,2,0,0,0,0|1,0,1]=4 8724 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Br 7a_100000687866_100000212080 [0,2,0,0,0,0|1,0,1]=4 8725 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)C 34a_100000687866_100000739480 [0,2,0,0,0,0|1,0,1]=4 8726 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)C 7a_100000687866_100000739480 [0,2,0,0,0,0|1,0,1]=4 8727 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 34a_100000687866_100000211444 [0,2,0,0,0,0|1,0,1]=4 8728 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 7a_100000687866_100000211444 [0,2,0,0,0,0|1,0,1]=4 8729 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)Cl 7a_200011592804_200011215066 [0,2,0,0,0,0|1,0,1]=4 8730 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 34a_100000687866_100000215616 [0,2,0,0,0,0|1,0,1]=4 8731 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 34a_100011592800_200011215066 [0,2,0,0,0,0|1,0,1]=4 8732 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)F 7a_100011592800_200011215066 [0,2,0,0,0,0|1,0,1]=4 8733 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)O 34a_100000687866_100009813753 [0,2,0,0,0,0|1,0,1]=4 8734 B17R1.749 CCCCC(C)OCC(=O)c1cccc(c1)O 7a_100000687866_100009813753 [0,2,0,0,0,0|1,0,1]=4 8735 B17R1.749 CCCCC(C)OCC(N)c1cccc(c1)Br 34a_100000690078_200011215066 [0,2,0,0,0,0|1,0,0]=3 8736 B17R1.749 CCCCC(C)OCC(N)c1cccc(n1)F 34a_200020642391_200011215066 [0,2,0,0,0,0|2,0,0]=4 8737 B17R1.749 CCCCC(C)OC[C@@H](N)c1cccc(c1)C 34a_100009818812_200011215066 [0,2,0,0,0,0|1,0,0]=3 8738 B17R1.749 CCCCC(C)OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200011215066 [0,2,0,0,0,0|1,0,0]=3 8739 B17R1.749 CCCCC(C)OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200011215066 [0,2,0,0,0,0|1,0,0]=3 8740 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)Br 269862a_100015185124_100000210093 [0,2,0,0,0,0|2,0,0]=4 8741 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)C 269862a_100015185124_100000211476 [0,2,0,0,0,0|2,0,0]=4 8742 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)Cl 269862a_100015185124_200000210964 [0,2,0,0,0,0|2,0,0]=4 8743 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)F 269862a_100015185124_100000187083 [0,2,0,0,0,0|2,0,0]=4 8744 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)I 269862a_100015185124_100011356966 [0,2,0,0,0,0|2,0,0]=4 8745 B17R1.749 CCCOC(C)CNC(C)c1cccc(c1)O 269862a_100015185124_100000211620 [0,2,0,0,0,0|2,0,0]=4 8746 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)Br 2230a_100000763565_100011740638 [0,2,0,0,0,0|2,0,0]=4 8747 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011710205 [0,2,0,0,0,0|2,0,0]=4 8748 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)C 2230a_100000763565_100011713685 [0,2,0,0,0,0|2,0,0]=4 8749 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)C 270004a_100000749837_100011710205 [0,2,0,0,0,0|2,0,0]=4 8750 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)Cl 2230a_100000763565_100011713710 [0,2,0,0,0,0|2,0,0]=4 8751 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011710205 [0,2,0,0,0,0|2,0,0]=4 8752 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)F 2230a_100000763565_100011217235 [0,2,0,0,0,0|2,0,0]=4 8753 B17R1.858 CCC(C)CC(C)NCCc1cccc(c1)F 270004a_100000205154_100011710205 [0,2,0,0,0,0|2,0,0]=4 8754 B17R1.1519 CC(CCCCl)OCCc1cc(cc(c1)Cl)Cl 34a_200000718107_100000691793 [0,2,0,0,0,0|2,0,0]=4 8755 B17R1.1519 CC(CCCCl)OCCc1cc(cc(c1)Cl)Cl 7a_200000718107_100000691793 [0,2,0,0,0,0|2,0,0]=4 8756 B17R1.1519 CC(CCCCl)OCCc1cc(cc(c1)F)F 34a_200000718107_100011754442 [0,2,0,0,0,0|2,0,0]=4 8757 B17R1.1519 CC(CCCCl)OCCc1cc(cc(c1)F)F 7a_200000718107_100011754442 [0,2,0,0,0,0|2,0,0]=4 8758 B17R1.1519 CCC#CC(C)OCCc1cc(cc(c1)Cl)Cl 34a_100000033903_100000691793 [0,2,0,0,0,0|1,0,1]=4 8759 B17R1.1519 CCC#CC(C)OCCc1cc(cc(c1)Cl)Cl 7a_100000033903_100000691793 [0,2,0,0,0,0|1,0,1]=4 8760 B17R1.1519 CCC#CC(C)OCCc1cc(cc(c1)F)F 34a_100000033903_100011754442 [0,2,0,0,0,0|1,0,1]=4 8761 B17R1.1519 CCC#CC(C)OCCc1cc(cc(c1)F)F 7a_100000033903_100011754442 [0,2,0,0,0,0|1,0,1]=4 8762 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000126638_100000691793 [0,2,0,0,0,0|2,0,0]=4 8763 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)Cl)Cl 2230a_100000746052_200011215066 [0,2,0,0,0,0|2,0,0]=4 8764 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)Cl)Cl 270004a_100000746052_100000210087 [0,2,0,0,0,0|2,0,0]=4 8765 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)Cl)Cl 34a_100000746052_200011215066 [0,2,0,0,0,0|2,0,0]=4 8766 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)F)F 2230a_100000126638_100011754442 [0,2,0,0,0,0|2,0,0]=4 8767 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)F)F 2230a_100000748410_200011215066 [0,2,0,0,0,0|2,0,0]=4 8768 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)F)F 270004a_100000748410_100000210087 [0,2,0,0,0,0|2,0,0]=4 8769 B17R1.1519 CCCCC(C)NCCc1cc(cc(c1)F)F 34a_100000748410_200011215066 [0,2,0,0,0,0|2,0,0]=4 8770 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)Br)F 34a_100012630564_200011215066 [0,2,0,0,0,0|1,0,0]=3 8771 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)Br)F 7a_100012630564_200011215066 [0,2,0,0,0,0|1,0,0]=3 8772 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)F)F 34a_100000687866_100011754442 [0,2,0,0,0,0|1,0,0]=3 8773 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)F)F 34a_100011754358_200011215066 [0,2,0,0,0,0|1,0,0]=3 8774 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)F)F 7a_100000687866_100011754442 [0,2,0,0,0,0|1,0,0]=3 8775 B17R1.1519 CCCCC(C)OCCc1cc(cc(c1)F)F 7a_100011754358_200011215066 [0,2,0,0,0,0|1,0,0]=3 8776 B17R1.1519 CCCCC(C)SCCc1cc(cc(c1)F)F 62a_100011754442_200011215066 [0,2,0,0,0,0|1,1,0]=4 8777 B17R1.1519 CCCCC(C)SCCc1cc(cc(c1)F)F 62a_200011215066_100011754442 [0,2,0,0,0,0|1,1,0]=4 8778 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 207a_100015185124_100000719502 [0,2,0,0,0,0|2,0,0]=4 8779 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 2230a_100015185124_100011216082 [0,2,0,0,0,0|2,0,0]=4 8780 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 269862a_100015185124_100000719502 [0,2,0,0,0,0|2,0,0]=4 8781 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 26a_100015185124_100010167048 [0,2,0,0,0,0|2,0,0]=4 8782 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 270004a_100015185124_100000719502 [0,2,0,0,0,0|2,0,0]=4 8783 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Br 34a_100015185124_100011216082 [0,2,0,0,0,0|2,0,0]=4 8784 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 207a_100015185124_100000686105 [0,2,0,0,0,0|2,0,0]=4 8785 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 2230a_100015185124_100012348363 [0,2,0,0,0,0|2,0,0]=4 8786 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 269862a_100015185124_100000686105 [0,2,0,0,0,0|2,0,0]=4 8787 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 26a_100015185124_100011999630 [0,2,0,0,0,0|2,0,0]=4 8788 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 270004a_100015185124_100000686105 [0,2,0,0,0,0|2,0,0]=4 8789 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)C 34a_100015185124_100012348363 [0,2,0,0,0,0|2,0,0]=4 8790 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Cl 207a_100015185124_100011934515 [0,2,0,0,0,0|2,0,0]=4 8791 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Cl 269862a_100015185124_100011934515 [0,2,0,0,0,0|2,0,0]=4 8792 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Cl 26a_100015185124_100010185897 [0,2,0,0,0,0|2,0,0]=4 8793 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)Cl 270004a_100015185124_100011934515 [0,2,0,0,0,0|2,0,0]=4 8794 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 207a_100015185124_100011794424 [0,2,0,0,0,0|2,0,0]=4 8795 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 2230a_100015185124_100000766940 [0,2,0,0,0,0|2,0,0]=4 8796 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 269862a_100015185124_100011794424 [0,2,0,0,0,0|2,0,0]=4 8797 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 26a_100015185124_100000688818 [0,2,0,0,0,0|2,0,0]=4 8798 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 270004a_100015185124_100011794424 [0,2,0,0,0,0|2,0,0]=4 8799 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)F 34a_100015185124_100000766940 [0,2,0,0,0,0|2,0,0]=4 8800 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)O 207a_100015185124_100010176088 [0,2,0,0,0,0|2,0,0]=4 8801 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Br)O 270004a_100015185124_100010176088 [0,2,0,0,0,0|2,0,0]=4 8802 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)C)C 207a_100015185124_100000745632 [0,2,0,0,0,0|2,0,0]=4 8803 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)C)C 2230a_100015185124_100000181317 [0,2,0,0,0,0|2,0,0]=4 8804 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)C)C 270004a_100015185124_100000745632 [0,2,0,0,0,0|2,0,0]=4 8805 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)C)C 34a_100015185124_100000181317 [0,2,0,0,0,0|2,0,0]=4 8806 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)C 207a_100015185124_100000684525 [0,2,0,0,0,0|2,0,0]=4 8807 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)C 270004a_100015185124_100000684525 [0,2,0,0,0,0|2,0,0]=4 8808 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)Cl 207a_100015185124_100000741761 [0,2,0,0,0,0|2,0,0]=4 8809 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)Cl 2230a_100015185124_100000685807 [0,2,0,0,0,0|2,0,0]=4 8810 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)Cl 26a_100015185124_100000181315 [0,2,0,0,0,0|2,0,0]=4 8811 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)Cl 270004a_100015185124_100000741761 [0,2,0,0,0,0|2,0,0]=4 8812 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)F 207a_100015185124_100000703917 [0,2,0,0,0,0|2,0,0]=4 8813 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)F 2230a_100015185124_100011219885 [0,2,0,0,0,0|2,0,0]=4 8814 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)F 269862a_100015185124_100000703917 [0,2,0,0,0,0|2,0,0]=4 8815 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)F 270004a_100015185124_100000703917 [0,2,0,0,0,0|2,0,0]=4 8816 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)F 34a_100015185124_100011219885 [0,2,0,0,0,0|2,0,0]=4 8817 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)O 207a_100015185124_100000050827 [0,2,0,0,0,0|2,0,0]=4 8818 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)Cl)O 270004a_100015185124_100000050827 [0,2,0,0,0,0|2,0,0]=4 8819 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)C 207a_100015185124_100011217087 [0,2,0,0,0,0|2,0,0]=4 8820 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)C 2230a_100015185124_100011219130 [0,2,0,0,0,0|2,0,0]=4 8821 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)C 270004a_100015185124_100011217087 [0,2,0,0,0,0|2,0,0]=4 8822 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)C 34a_100015185124_100011219130 [0,2,0,0,0,0|2,0,0]=4 8823 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)F 207a_100015185124_100000743029 [0,2,0,0,0,0|2,0,0]=4 8824 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)F 2230a_100015185124_100000697002 [0,2,0,0,0,0|2,0,0]=4 8825 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)F 269862a_100015185124_100000743029 [0,2,0,0,0,0|2,0,0]=4 8826 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)F 270004a_100015185124_100000743029 [0,2,0,0,0,0|2,0,0]=4 8827 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)F 34a_100015185124_100000697002 [0,2,0,0,0,0|2,0,0]=4 8828 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)O 207a_100015185124_100000703664 [0,2,0,0,0,0|2,0,0]=4 8829 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)F)O 270004a_100015185124_100000703664 [0,2,0,0,0,0|2,0,0]=4 8830 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 207a_100015185124_100010185649 [0,2,0,0,0,0|2,0,0]=4 8831 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 2230a_100015185124_100010146614 [0,2,0,0,0,0|2,0,0]=4 8832 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 269862a_100015185124_100010185649 [0,2,0,0,0,0|2,0,0]=4 8833 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 26a_100015185124_100010068917 [0,2,0,0,0,0|2,0,0]=4 8834 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 270004a_100015185124_100010185649 [0,2,0,0,0,0|2,0,0]=4 8835 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)Br 34a_100015185124_100010146614 [0,2,0,0,0,0|2,0,0]=4 8836 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)F 207a_100015185124_100010185655 [0,2,0,0,0,0|2,0,0]=4 8837 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)F 2230a_100015185124_100010149605 [0,2,0,0,0,0|2,0,0]=4 8838 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)F 269862a_100015185124_100010185655 [0,2,0,0,0,0|2,0,0]=4 8839 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)F 270004a_100015185124_100010185655 [0,2,0,0,0,0|2,0,0]=4 8840 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)F 34a_100015185124_100010149605 [0,2,0,0,0,0|2,0,0]=4 8841 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)I 207a_100015185124_100010185653 [0,2,0,0,0,0|2,0,0]=4 8842 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)I)I 269862a_100015185124_100010185653 [0,2,0,0,0,0|2,0,0]=4 8843 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)O)C 207a_100015185124_100009853434 [0,2,0,0,0,0|2,0,0]=4 8844 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)O)C 270004a_100015185124_100009853434 [0,2,0,0,0,0|2,0,0]=4 8845 B17R1.1519 CCCOC(C)CNCc1cc(cc(c1)O)O 207a_100015185124_100000043415 [0,2,0,0,0,0|2,0,0]=4 8846 B17R1.1519 CCOCC(C)OCCc1cc(cc(c1)Cl)Cl 34a_100000718985_100000691793 [0,2,0,0,0,0|2,0,0]=4 8847 B17R1.1519 CCOCC(C)OCCc1cc(cc(c1)Cl)Cl 7a_100000718985_100000691793 [0,2,0,0,0,0|2,0,0]=4 8848 B17R1.1519 CCOCC(C)OCCc1cc(cc(c1)F)F 34a_100000718985_100011754442 [0,2,0,0,0,0|2,0,0]=4 8849 B17R1.1519 CCOCC(C)OCCc1cc(cc(c1)F)F 7a_100000718985_100011754442 [0,2,0,0,0,0|2,0,0]=4 8850 B17R1.1583 CCCCC(C)NC(C)Cc1cccc(c1)Br 270004a_100000126638_100000689217 [0,2,0,0,0,0|2,0,0]=4 8851 B17R1.1583 CCCCC(C)NC(C)Cc1cccc(c1)Cl 270004a_100000126638_100000727212 [0,2,0,0,0,0|2,0,0]=4 8852 B17R1.1583 CCCCC(C)NC(C)Cc1cccc(c1)F 270004a_100000126638_100000687711 [0,2,0,0,0,0|2,0,0]=4 8853 B17R1.1583 CCCCC(C)OC(C)Cc1cccc(n1)C 34a_200015421231_200011215066 [0,2,0,0,0,0|2,0,0]=4 8854 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)Br 1458a_100000184314_200011215066 [0,2,0,0,0,0|2,0,0]=4 8855 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)Br 1458a_100000725509_100011740638 [0,2,0,0,0,0|2,0,0]=4 8856 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)C 1458a_100000234952_200011215066 [0,2,0,0,0,0|2,0,0]=4 8857 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)C 1458a_100000725509_100011713685 [0,2,0,0,0,0|2,0,0]=4 8858 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)Cl 1458a_100000235675_200011215066 [0,2,0,0,0,0|2,0,0]=4 8859 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)Cl 1458a_100000725509_100011713710 [0,2,0,0,0,0|2,0,0]=4 8860 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)F 1458a_100000235673_200011215066 [0,2,0,0,0,0|2,0,0]=4 8861 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)F 1458a_100000725509_100011217235 [0,2,0,0,0,0|2,0,0]=4 8862 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)I 1458a_100010007846_200011215066 [0,2,0,0,0,0|2,0,0]=4 8863 B17R1.1607 CCCCC(C)C(=O)CCc1cccc(c1)O 1458a_100011216126_200011215066 [0,2,0,0,0,0|2,0,0]=4 8864 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)C 2230a_114849113767_200011215066 [0,2,0,0,0,0|2,0,0]=4 8865 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)C 269982a_114849113767_200011215066 [0,2,0,0,0,0|2,0,0]=4 8866 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)C 270004a_114849113767_100000210087 [0,2,0,0,0,0|2,0,0]=4 8867 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)C 34a_114849113767_200011215066 [0,2,0,0,0,0|2,0,0]=4 8868 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)Cl 2230a_106726388433_200011215066 [0,2,0,0,0,0|2,0,0]=4 8869 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)Cl 269982a_106726388433_200011215066 [0,2,0,0,0,0|2,0,0]=4 8870 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)Cl 270004a_106726388433_100000210087 [0,2,0,0,0,0|2,0,0]=4 8871 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)Cl 34a_106726388433_200011215066 [0,2,0,0,0,0|2,0,0]=4 8872 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)F 2230a_106726388868_200011215066 [0,2,0,0,0,0|2,0,0]=4 8873 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)F 269982a_106726388868_200011215066 [0,2,0,0,0,0|2,0,0]=4 8874 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)F 270004a_106726388868_100000210087 [0,2,0,0,0,0|2,0,0]=4 8875 B17R1.1607 CCCCC(C)N(C)CCc1cccc(c1)F 34a_106726388868_200011215066 [0,2,0,0,0,0|2,0,0]=4 8876 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)Br 34a_100011025554_100011740638 [0,2,0,0,0,0|0,0,2]=4 8877 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)Br 7a_100011025554_100011740638 [0,2,0,0,0,0|0,0,2]=4 8878 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)C 34a_100011025554_100011713685 [0,2,0,0,0,0|0,0,2]=4 8879 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)C 7a_100011025554_100011713685 [0,2,0,0,0,0|0,0,2]=4 8880 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)Cl 34a_100011025554_100011713710 [0,2,0,0,0,0|0,0,2]=4 8881 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)Cl 7a_100011025554_100011713710 [0,2,0,0,0,0|0,0,2]=4 8882 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)F 34a_100011025554_100011217235 [0,2,0,0,0,0|0,0,2]=4 8883 B17R1.1832 C#CCOCC(C)OCCc1cccc(c1)F 7a_100011025554_100011217235 [0,2,0,0,0,0|0,0,2]=4 8884 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)Br 34a_200000035118_100011740638 [0,2,0,0,0,0|1,0,1]=4 8885 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)Br 7a_200000035118_100011740638 [0,2,0,0,0,0|1,0,1]=4 8886 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)C 34a_200000035118_100011713685 [0,2,0,0,0,0|1,0,1]=4 8887 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)C 7a_200000035118_100011713685 [0,2,0,0,0,0|1,0,1]=4 8888 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)Cl 34a_200000035118_100011713710 [0,2,0,0,0,0|1,0,1]=4 8889 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)Cl 7a_200000035118_100011713710 [0,2,0,0,0,0|1,0,1]=4 8890 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)F 34a_200000035118_100011217235 [0,2,0,0,0,0|1,0,1]=4 8891 B17R1.1832 CCC#CCC(C)OCCc1cccc(c1)F 7a_200000035118_100011217235 [0,2,0,0,0,0|1,0,1]=4 8892 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 2230a_100000211957_100011740638 [0,2,0,0,0,0|2,0,0]=4 8893 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 2230a_100011207229_200011218191 [0,2,0,0,0,0|2,0,0]=4 8894 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000211708 [0,2,0,0,0,0|2,0,0]=4 8895 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Br 34a_100011207229_200011218191 [0,2,0,0,0,0|2,0,0]=4 8896 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 2230a_100000211957_100011713685 [0,2,0,0,0,0|2,0,0]=4 8897 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 2230a_100000749837_200011218191 [0,2,0,0,0,0|2,0,0]=4 8898 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100000211708 [0,2,0,0,0,0|2,0,0]=4 8899 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)C 34a_100000749837_200011218191 [0,2,0,0,0,0|2,0,0]=4 8900 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_200011218191 [0,2,0,0,0,0|2,0,0]=4 8901 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 2230a_100000211957_100011713710 [0,2,0,0,0,0|2,0,0]=4 8902 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000211708 [0,2,0,0,0,0|2,0,0]=4 8903 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)Cl 34a_100000185263_200011218191 [0,2,0,0,0,0|2,0,0]=4 8904 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 2230a_100000205154_200011218191 [0,2,0,0,0,0|2,0,0]=4 8905 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 2230a_100000211957_100011217235 [0,2,0,0,0,0|2,0,0]=4 8906 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000211708 [0,2,0,0,0,0|2,0,0]=4 8907 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)F 34a_100000205154_200011218191 [0,2,0,0,0,0|2,0,0]=4 8908 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)O 2230a_100000747277_200011218191 [0,2,0,0,0,0|2,0,0]=4 8909 B17R1.1832 CCCCCC(C)NCCc1cccc(c1)O 34a_100000747277_200011218191 [0,2,0,0,0,0|2,0,0]=4 8910 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 34a_100011215632_100011740638 [0,2,0,0,0,0|1,0,0]=3 8911 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 34a_100011217444_200011218191 [0,2,0,0,0,0|1,0,0]=3 8912 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 7a_100011215632_100011740638 [0,2,0,0,0,0|1,0,0]=3 8913 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Br 7a_100011217444_200011218191 [0,2,0,0,0,0|1,0,0]=3 8914 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 34a_100011215632_100011713685 [0,2,0,0,0,0|1,0,0]=3 8915 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 34a_100011217157_200011218191 [0,2,0,0,0,0|1,0,0]=3 8916 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 7a_100011215632_100011713685 [0,2,0,0,0,0|1,0,0]=3 8917 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)C 7a_100011217157_200011218191 [0,2,0,0,0,0|1,0,0]=3 8918 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 34a_100000754733_200011218191 [0,2,0,0,0,0|1,0,0]=3 8919 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 34a_100011215632_100011713710 [0,2,0,0,0,0|1,0,0]=3 8920 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 7a_100000754733_200011218191 [0,2,0,0,0,0|1,0,0]=3 8921 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)Cl 7a_100011215632_100011713710 [0,2,0,0,0,0|1,0,0]=3 8922 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 34a_100000763591_200011218191 [0,2,0,0,0,0|1,0,0]=3 8923 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 34a_100011215632_100011217235 [0,2,0,0,0,0|1,0,0]=3 8924 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 7a_100000763591_200011218191 [0,2,0,0,0,0|1,0,0]=3 8925 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)F 7a_100011215632_100011217235 [0,2,0,0,0,0|1,0,0]=3 8926 B17R1.1832 CCCCCC(C)OCCc1cccc(c1)N 34a_100011996697_200011218191 [0,2,0,0,0,0|1,0,0]=3 8927 B17R1.1832 CCCCCC(C)OCCc1cccc(n1)Br 34a_100010221043_200011218191 [0,2,0,0,0,0|2,0,0]=4 8928 B17R1.1832 CCCCCC(C)OCCc1cccc(n1)Br 7a_100010221043_200011218191 [0,2,0,0,0,0|2,0,0]=4 8929 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011343953 [0,2,0,0,0,0|1,1,0]=4 8930 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011343953 [0,2,0,0,0,0|1,1,0]=4 8931 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011343953 [0,2,0,0,0,0|1,1,0]=4 8932 B17R1.1832 CCCSCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011343953 [0,2,0,0,0,0|1,1,0]=4 8933 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_200011216536 [0,2,0,0,0,0|2,0,0]=4 8934 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)C 270004a_100000749837_200011216536 [0,2,0,0,0,0|2,0,0]=4 8935 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_200011216536 [0,2,0,0,0,0|2,0,0]=4 8936 B17R1.1832 CCOCCC(C)NCCc1cccc(c1)F 270004a_100000205154_200011216536 [0,2,0,0,0,0|2,0,0]=4 8937 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Br 34a_200011539412_100011740638 [0,2,0,0,0,0|1,0,0]=3 8938 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Br 7a_200011539412_100011740638 [0,2,0,0,0,0|1,0,0]=3 8939 B17R1.1832 COCCCC(C)OCCc1cccc(c1)C 34a_200011539412_100011713685 [0,2,0,0,0,0|1,0,0]=3 8940 B17R1.1832 COCCCC(C)OCCc1cccc(c1)C 7a_200011539412_100011713685 [0,2,0,0,0,0|1,0,0]=3 8941 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Cl 34a_200011539412_100011713710 [0,2,0,0,0,0|1,0,0]=3 8942 B17R1.1832 COCCCC(C)OCCc1cccc(c1)Cl 7a_200011539412_100011713710 [0,2,0,0,0,0|1,0,0]=3 8943 B17R1.1832 COCCCC(C)OCCc1cccc(c1)F 34a_200011539412_100011217235 [0,2,0,0,0,0|1,0,0]=3 8944 B17R1.1832 COCCCC(C)OCCc1cccc(c1)F 7a_200011539412_100011217235 [0,2,0,0,0,0|1,0,0]=3 8945 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100011399439 [0,2,0,0,0,0|2,0,0]=4 8946 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)C 270004a_100000749837_100011399439 [0,2,0,0,0,0|2,0,0]=4 8947 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011399439 [0,2,0,0,0,0|2,0,0]=4 8948 B17R1.1832 CSCCCC(C)NCCc1cccc(c1)F 270004a_100000205154_100011399439 [0,2,0,0,0,0|2,0,0]=4 8949 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)Br 34a_200011217967_100011740638 [0,2,0,0,0,0|1,0,1]=4 8950 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)Br 7a_200011217967_100011740638 [0,2,0,0,0,0|1,0,1]=4 8951 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)C 34a_200011217967_100011713685 [0,2,0,0,0,0|1,0,1]=4 8952 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)C 7a_200011217967_100011713685 [0,2,0,0,0,0|1,0,1]=4 8953 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)Cl 34a_200011217967_100011713710 [0,2,0,0,0,0|1,0,1]=4 8954 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)Cl 7a_200011217967_100011713710 [0,2,0,0,0,0|1,0,1]=4 8955 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)F 34a_200011217967_100011217235 [0,2,0,0,0,0|1,0,1]=4 8956 B17R1.4975 C#CC(CCCC)OCCc1cccc(c1)F 7a_200011217967_100011217235 [0,2,0,0,0,0|1,0,1]=4 8957 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)Br 34a_200011215037_100011740638 [0,2,0,0,0,0|1,0,1]=4 8958 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)Br 7a_200011215037_100011740638 [0,2,0,0,0,0|1,0,1]=4 8959 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)C 34a_200011215037_100011713685 [0,2,0,0,0,0|1,0,1]=4 8960 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)C 7a_200011215037_100011713685 [0,2,0,0,0,0|1,0,1]=4 8961 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)Cl 34a_200011215037_100011713710 [0,2,0,0,0,0|1,0,1]=4 8962 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)Cl 7a_200011215037_100011713710 [0,2,0,0,0,0|1,0,1]=4 8963 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)F 34a_200011215037_100011217235 [0,2,0,0,0,0|1,0,1]=4 8964 B17R1.4975 C=CC(CCCC)OCCc1cccc(c1)F 7a_200011215037_100011217235 [0,2,0,0,0,0|1,0,1]=4 8965 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Br 270004a_100011207229_100000753412 [0,2,0,0,0,0|2,0,0]=4 8966 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Br 34a_100011207229_200011216223 [0,2,0,0,0,0|2,0,0]=4 8967 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)C 270004a_100000749837_100000753412 [0,2,0,0,0,0|2,0,0]=4 8968 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)C 34a_100000749837_200011216223 [0,2,0,0,0,0|2,0,0]=4 8969 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Cl 270004a_100000185263_100000753412 [0,2,0,0,0,0|2,0,0]=4 8970 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)Cl 34a_100000185263_200011216223 [0,2,0,0,0,0|2,0,0]=4 8971 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)F 270004a_100000205154_100000753412 [0,2,0,0,0,0|2,0,0]=4 8972 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)F 34a_100000205154_200011216223 [0,2,0,0,0,0|2,0,0]=4 8973 B17R1.4975 CCCCC(CC)NCCc1cccc(c1)O 34a_100000747277_200011216223 [0,2,0,0,0,0|2,0,0]=4 8974 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 34a_100011215227_100011740638 [0,2,0,0,0,0|1,0,0]=3 8975 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 34a_100011217444_200011216223 [0,2,0,0,0,0|1,0,0]=3 8976 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 7a_100011215227_100011740638 [0,2,0,0,0,0|1,0,0]=3 8977 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Br 7a_100011217444_200011216223 [0,2,0,0,0,0|1,0,0]=3 8978 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 34a_100011215227_100011713685 [0,2,0,0,0,0|1,0,0]=3 8979 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 34a_100011217157_200011216223 [0,2,0,0,0,0|1,0,0]=3 8980 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 7a_100011215227_100011713685 [0,2,0,0,0,0|1,0,0]=3 8981 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)C 7a_100011217157_200011216223 [0,2,0,0,0,0|1,0,0]=3 8982 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 34a_100000754733_200011216223 [0,2,0,0,0,0|1,0,0]=3 8983 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 34a_100011215227_100011713710 [0,2,0,0,0,0|1,0,0]=3 8984 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 7a_100000754733_200011216223 [0,2,0,0,0,0|1,0,0]=3 8985 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)Cl 7a_100011215227_100011713710 [0,2,0,0,0,0|1,0,0]=3 8986 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 34a_100000763591_200011216223 [0,2,0,0,0,0|1,0,0]=3 8987 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 34a_100011215227_100011217235 [0,2,0,0,0,0|1,0,0]=3 8988 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 7a_100000763591_200011216223 [0,2,0,0,0,0|1,0,0]=3 8989 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)F 7a_100011215227_100011217235 [0,2,0,0,0,0|1,0,0]=3 8990 B17R1.4975 CCCCC(CC)OCCc1cccc(c1)N 34a_100011996697_200011216223 [0,2,0,0,0,0|1,0,0]=3 8991 B17R1.4975 CCCCC(CC)OCCc1cccc(n1)Br 34a_100010221043_200011216223 [0,2,0,0,0,0|2,0,0]=4 8992 B17R1.4975 CCCCC(CC)OCCc1cccc(n1)Br 7a_100010221043_200011216223 [0,2,0,0,0,0|2,0,0]=4 8993 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Br 2230a_100011934283_100011740638 [0,2,0,0,0,0|2,0,0]=4 8994 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Br 34a_100011934283_100011740638 [0,2,0,0,0,0|2,0,0]=4 8995 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)C 2230a_100011934283_100011713685 [0,2,0,0,0,0|2,0,0]=4 8996 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)C 34a_100011934283_100011713685 [0,2,0,0,0,0|2,0,0]=4 8997 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Cl 2230a_100011934283_100011713710 [0,2,0,0,0,0|2,0,0]=4 8998 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)Cl 34a_100011934283_100011713710 [0,2,0,0,0,0|2,0,0]=4 8999 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)F 2230a_100011934283_100011217235 [0,2,0,0,0,0|2,0,0]=4 9000 B17R1.4975 CCCC[C@@H](CO)NCCc1cccc(c1)F 34a_100011934283_100011217235 [0,2,0,0,0,0|2,0,0]=4 9001 B17R1.4975 CCOCC(CN)OCCc1cccc(c1)Br 34a_102515437182_100011740638 [0,2,0,0,0,0|2,0,0]=4 9002 B17R1.4975 CCOCC(CN)OCCc1cccc(c1)C 34a_102515437182_100011713685 [0,2,0,0,0,0|2,0,0]=4 9003 B17R1.4975 CCOCC(CN)OCCc1cccc(c1)Cl 34a_102515437182_100011713710 [0,2,0,0,0,0|2,0,0]=4 9004 B17R1.4975 CCOCC(CN)OCCc1cccc(c1)F 34a_102515437182_100011217235 [0,2,0,0,0,0|2,0,0]=4 9005 B17R1.9739 CC(CCCCl)OCCc1cc(ccc1F)F 34a_200000718107_100011755056 [0,2,0,0,0,0|2,0,0]=4 9006 B17R1.9739 CC(CCCCl)OCCc1cc(ccc1F)F 7a_200000718107_100011755056 [0,2,0,0,0,0|2,0,0]=4 9007 B17R1.9739 CCC#CC(C)OCCc1cc(ccc1F)F 34a_100000033903_100011755056 [0,2,0,0,0,0|1,0,1]=4 9008 B17R1.9739 CCC#CC(C)OCCc1cc(ccc1F)F 7a_100000033903_100011755056 [0,2,0,0,0,0|1,0,1]=4 9009 B17R1.9739 CCCCC(C)NCCc1cc(ccc1C)C 2230a_200011485678_200011215066 [0,2,0,0,0,0|2,0,0]=4 9010 B17R1.9739 CCCCC(C)NCCc1cc(ccc1C)C 270004a_200011485678_100000210087 [0,2,0,0,0,0|2,0,0]=4 9011 B17R1.9739 CCCCC(C)NCCc1cc(ccc1C)C 34a_200011485678_200011215066 [0,2,0,0,0,0|2,0,0]=4 9012 B17R1.9739 CCCCC(C)NCCc1cc(ccc1Cl)Cl 2230a_100000705354_200011215066 [0,2,0,0,0,0|2,0,0]=4 9013 B17R1.9739 CCCCC(C)NCCc1cc(ccc1Cl)Cl 270004a_100000705354_100000210087 [0,2,0,0,0,0|2,0,0]=4 9014 B17R1.9739 CCCCC(C)NCCc1cc(ccc1Cl)Cl 34a_100000705354_200011215066 [0,2,0,0,0,0|2,0,0]=4 9015 B17R1.9739 CCCCC(C)NCCc1cc(ccc1F)Cl 2230a_200011997525_200011215066 [0,2,0,0,0,0|2,0,0]=4 9016 B17R1.9739 CCCCC(C)NCCc1cc(ccc1F)Cl 270004a_200011997525_100000210087 [0,2,0,0,0,0|2,0,0]=4 9017 B17R1.9739 CCCCC(C)NCCc1cc(ccc1F)Cl 34a_200011997525_200011215066 [0,2,0,0,0,0|2,0,0]=4 9018 B17R1.9739 CCCCC(C)NCCc1cc(ccc1F)F 2230a_100000126638_100011755056 [0,2,0,0,0,0|2,0,0]=4 9019 B17R1.9739 CCCCC(C)OCCc1cc(ccc1C)C 34a_100011694955_200011215066 [0,2,0,0,0,0|1,0,0]=3 9020 B17R1.9739 CCCCC(C)OCCc1cc(ccc1C)C 7a_100011694955_200011215066 [0,2,0,0,0,0|1,0,0]=3 9021 B17R1.9739 CCCCC(C)OCCc1cc(ccc1F)F 34a_100000687866_100011755056 [0,2,0,0,0,0|1,0,0]=3 9022 B17R1.9739 CCCCC(C)OCCc1cc(ccc1F)F 34a_100011755048_200011215066 [0,2,0,0,0,0|1,0,0]=3 9023 B17R1.9739 CCCCC(C)OCCc1cc(ccc1F)F 7a_100000687866_100011755056 [0,2,0,0,0,0|1,0,0]=3 9024 B17R1.9739 CCCCC(C)OCCc1cc(ccc1F)F 7a_100011755048_200011215066 [0,2,0,0,0,0|1,0,0]=3 9025 B17R1.9739 CCCCC(C)SCCc1cc(ccc1F)F 62a_100011755056_200011215066 [0,2,0,0,0,0|1,1,0]=4 9026 B17R1.9739 CCCCC(C)SCCc1cc(ccc1F)F 62a_200011215066_100011755056 [0,2,0,0,0,0|1,1,0]=4 9027 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Br 207a_100015185124_100011266429 [0,2,0,0,0,0|2,0,0]=4 9028 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Br 2230a_100015185124_100011982794 [0,2,0,0,0,0|2,0,0]=4 9029 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Br 26a_100015185124_100011220040 [0,2,0,0,0,0|2,0,0]=4 9030 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Br 270004a_100015185124_100011266429 [0,2,0,0,0,0|2,0,0]=4 9031 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Br 34a_100015185124_100011982794 [0,2,0,0,0,0|2,0,0]=4 9032 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)C 207a_100015185124_100011551863 [0,2,0,0,0,0|2,0,0]=4 9033 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)C 26a_100015185124_100012002257 [0,2,0,0,0,0|2,0,0]=4 9034 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)C 270004a_100015185124_100011551863 [0,2,0,0,0,0|2,0,0]=4 9035 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Cl 207a_100015185124_100000746314 [0,2,0,0,0,0|2,0,0]=4 9036 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Cl 2230a_100015185124_100000733903 [0,2,0,0,0,0|2,0,0]=4 9037 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Cl 26a_100015185124_100012339455 [0,2,0,0,0,0|2,0,0]=4 9038 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Cl 270004a_100015185124_100000746314 [0,2,0,0,0,0|2,0,0]=4 9039 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)Cl 34a_100015185124_100000733903 [0,2,0,0,0,0|2,0,0]=4 9040 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)F 207a_100015185124_100000766564 [0,2,0,0,0,0|2,0,0]=4 9041 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)F 2230a_100015185124_100000736370 [0,2,0,0,0,0|2,0,0]=4 9042 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)F 26a_100015185124_100000690578 [0,2,0,0,0,0|2,0,0]=4 9043 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)F 270004a_100015185124_100000766564 [0,2,0,0,0,0|2,0,0]=4 9044 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)F 34a_100015185124_100000736370 [0,2,0,0,0,0|2,0,0]=4 9045 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)I 207a_100015185124_100010185652 [0,2,0,0,0,0|2,0,0]=4 9046 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)I 2230a_100015185124_100012355412 [0,2,0,0,0,0|2,0,0]=4 9047 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)I 26a_100015185124_100012356990 [0,2,0,0,0,0|2,0,0]=4 9048 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Br)I 34a_100015185124_100012355412 [0,2,0,0,0,0|2,0,0]=4 9049 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Br 207a_100015185124_100011361606 [0,2,0,0,0,0|2,0,0]=4 9050 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Br 26a_100015185124_100000685420 [0,2,0,0,0,0|2,0,0]=4 9051 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Br 270004a_100015185124_100011361606 [0,2,0,0,0,0|2,0,0]=4 9052 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)C 207a_100015185124_100000211343 [0,2,0,0,0,0|2,0,0]=4 9053 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)C 2230a_100015185124_100000184699 [0,2,0,0,0,0|2,0,0]=4 9054 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)C 270004a_100015185124_100000211343 [0,2,0,0,0,0|2,0,0]=4 9055 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)C 34a_100015185124_100000184699 [0,2,0,0,0,0|2,0,0]=4 9056 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Cl 207a_100015185124_100011551331 [0,2,0,0,0,0|2,0,0]=4 9057 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Cl 2230a_100015185124_100012186985 [0,2,0,0,0,0|2,0,0]=4 9058 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Cl 270004a_100015185124_100011551331 [0,2,0,0,0,0|2,0,0]=4 9059 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)Cl 34a_100015185124_100012186985 [0,2,0,0,0,0|2,0,0]=4 9060 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)F 207a_100015185124_100000697687 [0,2,0,0,0,0|2,0,0]=4 9061 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)F 2230a_100015185124_100000709795 [0,2,0,0,0,0|2,0,0]=4 9062 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)F 270004a_100015185124_100000697687 [0,2,0,0,0,0|2,0,0]=4 9063 B17R1.9739 CCCOC(C)CNCc1cc(ccc1C)F 34a_100015185124_100000709795 [0,2,0,0,0,0|2,0,0]=4 9064 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Br 207a_100015185124_100000746309 [0,2,0,0,0,0|2,0,0]=4 9065 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Br 2230a_100015185124_100000763347 [0,2,0,0,0,0|2,0,0]=4 9066 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Br 26a_100015185124_100000738945 [0,2,0,0,0,0|2,0,0]=4 9067 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Br 270004a_100015185124_100000746309 [0,2,0,0,0,0|2,0,0]=4 9068 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Br 34a_100015185124_100000763347 [0,2,0,0,0,0|2,0,0]=4 9069 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)C 207a_100015185124_100011551332 [0,2,0,0,0,0|2,0,0]=4 9070 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)C 2230a_100015185124_100009871730 [0,2,0,0,0,0|2,0,0]=4 9071 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)C 26a_100015185124_100000211493 [0,2,0,0,0,0|2,0,0]=4 9072 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)C 270004a_100015185124_100011551332 [0,2,0,0,0,0|2,0,0]=4 9073 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)C 34a_100015185124_100009871730 [0,2,0,0,0,0|2,0,0]=4 9074 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Cl 207a_100015185124_100000746308 [0,2,0,0,0,0|2,0,0]=4 9075 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Cl 2230a_100015185124_100000756322 [0,2,0,0,0,0|2,0,0]=4 9076 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Cl 26a_100015185124_100000211422 [0,2,0,0,0,0|2,0,0]=4 9077 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Cl 270004a_100015185124_100000746308 [0,2,0,0,0,0|2,0,0]=4 9078 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)Cl 34a_100015185124_100000756322 [0,2,0,0,0,0|2,0,0]=4 9079 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)F 207a_100015185124_100011218309 [0,2,0,0,0,0|2,0,0]=4 9080 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)F 2230a_100015185124_100000709952 [0,2,0,0,0,0|2,0,0]=4 9081 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)F 26a_100015185124_100000692107 [0,2,0,0,0,0|2,0,0]=4 9082 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)F 270004a_100015185124_100011218309 [0,2,0,0,0,0|2,0,0]=4 9083 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)F 34a_100015185124_100000709952 [0,2,0,0,0,0|2,0,0]=4 9084 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)I 207a_100015185124_100010254384 [0,2,0,0,0,0|2,0,0]=4 9085 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)I 2230a_100015185124_100010188191 [0,2,0,0,0,0|2,0,0]=4 9086 B17R1.9739 CCCOC(C)CNCc1cc(ccc1Cl)I 34a_100015185124_100010188191 [0,2,0,0,0,0|2,0,0]=4 9087 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Br 207a_100015185124_100000211465 [0,2,0,0,0,0|2,0,0]=4 9088 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Br 2230a_100015185124_100000736399 [0,2,0,0,0,0|2,0,0]=4 9089 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Br 26a_100015185124_100000686035 [0,2,0,0,0,0|2,0,0]=4 9090 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Br 270004a_100015185124_100000211465 [0,2,0,0,0,0|2,0,0]=4 9091 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Br 34a_100015185124_100000736399 [0,2,0,0,0,0|2,0,0]=4 9092 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)C 207a_100015185124_100000756917 [0,2,0,0,0,0|2,0,0]=4 9093 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)C 2230a_100015185124_100011260760 [0,2,0,0,0,0|2,0,0]=4 9094 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)C 270004a_100015185124_100000756917 [0,2,0,0,0,0|2,0,0]=4 9095 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)C 34a_100015185124_100011260760 [0,2,0,0,0,0|2,0,0]=4 9096 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Cl 207a_100015185124_100000745245 [0,2,0,0,0,0|2,0,0]=4 9097 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Cl 2230a_100015185124_100000716957 [0,2,0,0,0,0|2,0,0]=4 9098 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Cl 270004a_100015185124_100000745245 [0,2,0,0,0,0|2,0,0]=4 9099 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)Cl 34a_100015185124_100000716957 [0,2,0,0,0,0|2,0,0]=4 9100 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)F 207a_100015185124_100000740046 [0,2,0,0,0,0|2,0,0]=4 9101 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)F 2230a_100015185124_100000741279 [0,2,0,0,0,0|2,0,0]=4 9102 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)F 270004a_100015185124_100000740046 [0,2,0,0,0,0|2,0,0]=4 9103 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)F 34a_100015185124_100000741279 [0,2,0,0,0,0|2,0,0]=4 9104 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)I 207a_100015185124_100000050626 [0,2,0,0,0,0|2,0,0]=4 9105 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)I 2230a_100015185124_200010149601 [0,2,0,0,0,0|2,0,0]=4 9106 B17R1.9739 CCCOC(C)CNCc1cc(ccc1F)I 34a_100015185124_200010149601 [0,2,0,0,0,0|2,0,0]=4 9107 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Br 207a_100015185124_100010185651 [0,2,0,0,0,0|2,0,0]=4 9108 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Br 2230a_100015185124_100012362523 [0,2,0,0,0,0|2,0,0]=4 9109 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Br 26a_100015185124_100012344904 [0,2,0,0,0,0|2,0,0]=4 9110 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Br 270004a_100015185124_100010185651 [0,2,0,0,0,0|2,0,0]=4 9111 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Br 34a_100015185124_100012362523 [0,2,0,0,0,0|2,0,0]=4 9112 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)C 207a_100015185124_100010150105 [0,2,0,0,0,0|2,0,0]=4 9113 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)C 270004a_100015185124_100010150105 [0,2,0,0,0,0|2,0,0]=4 9114 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Cl 207a_100015185124_100010254386 [0,2,0,0,0,0|2,0,0]=4 9115 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Cl 2230a_100015185124_100012348826 [0,2,0,0,0,0|2,0,0]=4 9116 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Cl 270004a_100015185124_100010254386 [0,2,0,0,0,0|2,0,0]=4 9117 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)Cl 34a_100015185124_100012348826 [0,2,0,0,0,0|2,0,0]=4 9118 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)F 207a_100015185124_100010186294 [0,2,0,0,0,0|2,0,0]=4 9119 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)F 2230a_100015185124_100010149606 [0,2,0,0,0,0|2,0,0]=4 9120 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)F 270004a_100015185124_100010186294 [0,2,0,0,0,0|2,0,0]=4 9121 B17R1.9739 CCCOC(C)CNCc1cc(ccc1I)F 34a_100015185124_100010149606 [0,2,0,0,0,0|2,0,0]=4 9122 B17R1.9739 CCCOC(C)CNCc1cc(ccc1O)F 34a_100015185124_100010161318 [0,2,0,0,0,0|2,0,0]=4 9123 B17R1.9739 CCOCC(C)OCCc1cc(ccc1F)F 34a_100000718985_100011755056 [0,2,0,0,0,0|2,0,0]=4 9124 B17R1.9739 CCOCC(C)OCCc1cc(ccc1F)F 7a_100000718985_100011755056 [0,2,0,0,0,0|2,0,0]=4 9125 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Br 2230a_100011207229_100011261404 [0,2,0,0,0,0|2,0,0]=4 9126 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Br 2230a_100138410893_100011740638 [0,2,0,0,0,0|2,0,0]=4 9127 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Br 270004a_100011207229_100000210476 [0,2,0,0,0,0|2,0,0]=4 9128 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Br 34a_100011207229_100011261404 [0,2,0,0,0,0|2,0,0]=4 9129 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Cl 2230a_100000185263_100011261404 [0,2,0,0,0,0|2,0,0]=4 9130 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Cl 2230a_100138410893_100011713710 [0,2,0,0,0,0|2,0,0]=4 9131 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Cl 270004a_100000185263_100000210476 [0,2,0,0,0,0|2,0,0]=4 9132 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)Cl 34a_100000185263_100011261404 [0,2,0,0,0,0|2,0,0]=4 9133 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)F 2230a_100000205154_100011261404 [0,2,0,0,0,0|2,0,0]=4 9134 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)F 2230a_100138410893_100011217235 [0,2,0,0,0,0|2,0,0]=4 9135 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)F 270004a_100000205154_100000210476 [0,2,0,0,0,0|2,0,0]=4 9136 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)F 34a_100000205154_100011261404 [0,2,0,0,0,0|2,0,0]=4 9137 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)O 2230a_100000747277_100011261404 [0,2,0,0,0,0|2,0,0]=4 9138 B17R1.14436 CC(C)CCC(C)NCCc1cccc(c1)O 34a_100000747277_100011261404 [0,2,0,0,0,0|2,0,0]=4 9139 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Br 34a_100011215350_100011740638 [0,2,0,0,0,0|1,0,0]=3 9140 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Br 34a_100011217444_100011261404 [0,2,0,0,0,0|1,0,0]=3 9141 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Br 7a_100011215350_100011740638 [0,2,0,0,0,0|1,0,0]=3 9142 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Cl 34a_100000754733_100011261404 [0,2,0,0,0,0|1,0,0]=3 9143 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Cl 34a_100011215350_100011713710 [0,2,0,0,0,0|1,0,0]=3 9144 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)Cl 7a_100011215350_100011713710 [0,2,0,0,0,0|1,0,0]=3 9145 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)F 34a_100000763591_100011261404 [0,2,0,0,0,0|1,0,0]=3 9146 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)F 34a_100011215350_100011217235 [0,2,0,0,0,0|1,0,0]=3 9147 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)F 7a_100011215350_100011217235 [0,2,0,0,0,0|1,0,0]=3 9148 B17R1.14436 CC(C)CCC(C)OCCc1cccc(c1)N 34a_100011996697_100011261404 [0,2,0,0,0,0|1,0,0]=3 9149 B17R1.14436 CC(C)CCC(C)OCCc1cccc(n1)Br 34a_100010221043_100011261404 [0,2,0,0,0,0|2,0,0]=4 9150 B17R1.14436 CC(C)CCC(C)SCCc1cccc(c1)F 62a_100011217235_100011261404 [0,2,0,0,0,0|1,1,0]=4 9151 B17R1.14436 CC(C)CCC(C)SCCc1cccc(c1)F 62a_100011261404_100011217235 [0,2,0,0,0,0|1,1,0]=4 9152 B17R1.14436 Cc1cccc(c1)CCNC(C)CCC(C)C 2230a_100000749837_100011261404 [0,2,0,0,0,0|2,0,0]=4 9153 B17R1.14436 Cc1cccc(c1)CCNC(C)CCC(C)C 2230a_100138410893_100011713685 [0,2,0,0,0,0|2,0,0]=4 9154 B17R1.14436 Cc1cccc(c1)CCNC(C)CCC(C)C 270004a_100000749837_100000210476 [0,2,0,0,0,0|2,0,0]=4 9155 B17R1.14436 Cc1cccc(c1)CCNC(C)CCC(C)C 34a_100000749837_100011261404 [0,2,0,0,0,0|2,0,0]=4 9156 B17R1.14436 Cc1cccc(c1)CCOC(C)CCC(C)C 34a_100011215350_100011713685 [0,2,0,0,0,0|1,0,0]=3 9157 B17R1.14436 Cc1cccc(c1)CCOC(C)CCC(C)C 34a_100011217157_100011261404 [0,2,0,0,0,0|1,0,0]=3 9158 B17R1.14436 Cc1cccc(c1)CCOC(C)CCC(C)C 7a_100011215350_100011713685 [0,2,0,0,0,0|1,0,0]=3 9159 B17R1.19225 CCCC(C)C(C)NCCc1cccc(c1)Br 270004a_100011207229_100011216282 [0,2,0,0,0,0|2,0,0]=4 9160 B17R1.19225 CCCC(C)C(C)NCCc1cccc(c1)C 270004a_100000749837_100011216282 [0,2,0,0,0,0|2,0,0]=4 9161 B17R1.19225 CCCC(C)C(C)NCCc1cccc(c1)Cl 270004a_100000185263_100011216282 [0,2,0,0,0,0|2,0,0]=4 9162 B17R1.19225 CCCC(C)C(C)NCCc1cccc(c1)F 270004a_100000205154_100011216282 [0,2,0,0,0,0|2,0,0]=4 9163 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)Br 34a_100000708338_100011740638 [0,2,0,0,0,0|1,0,0]=3 9164 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)Br 7a_100000708338_100011740638 [0,2,0,0,0,0|1,0,0]=3 9165 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)C 34a_100000708338_100011713685 [0,2,0,0,0,0|1,0,0]=3 9166 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)C 7a_100000708338_100011713685 [0,2,0,0,0,0|1,0,0]=3 9167 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)Cl 34a_100000708338_100011713710 [0,2,0,0,0,0|1,0,0]=3 9168 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)Cl 7a_100000708338_100011713710 [0,2,0,0,0,0|1,0,0]=3 9169 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)F 34a_100000708338_100011217235 [0,2,0,0,0,0|1,0,0]=3 9170 B17R1.19225 CCCC(C)C(C)OCCc1cccc(c1)F 7a_100000708338_100011217235 [0,2,0,0,0,0|1,0,0]=3 9171 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)Br 34a_100011217444_100000230173 [0,2,0,0,0,0|2,0,0]=4 9172 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)Br 7a_100011217444_100000230173 [0,2,0,0,0,0|2,0,0]=4 9173 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)C 34a_100011217157_100000230173 [0,2,0,0,0,0|2,0,0]=4 9174 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)C 7a_100011217157_100000230173 [0,2,0,0,0,0|2,0,0]=4 9175 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)Cl 34a_100000754733_100000230173 [0,2,0,0,0,0|2,0,0]=4 9176 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)Cl 7a_100000754733_100000230173 [0,2,0,0,0,0|2,0,0]=4 9177 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)F 34a_100000763591_100000230173 [0,2,0,0,0,0|2,0,0]=4 9178 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)F 7a_100000763591_100000230173 [0,2,0,0,0,0|2,0,0]=4 9179 B17R1.19225 CCNC(=O)C(C)OCCc1cccc(c1)N 34a_100011996697_100000230173 [0,2,0,0,0,0|2,0,0]=4 9180 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)Br 34a_100011217444_100011216346 [0,2,0,0,0,0|2,0,0]=4 9181 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)Br 7a_100011217444_100011216346 [0,2,0,0,0,0|2,0,0]=4 9182 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)C 34a_100011217157_100011216346 [0,2,0,0,0,0|2,0,0]=4 9183 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)C 7a_100011217157_100011216346 [0,2,0,0,0,0|2,0,0]=4 9184 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)Cl 34a_100000754733_100011216346 [0,2,0,0,0,0|2,0,0]=4 9185 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)Cl 7a_100000754733_100011216346 [0,2,0,0,0,0|2,0,0]=4 9186 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)F 34a_100000763591_100011216346 [0,2,0,0,0,0|2,0,0]=4 9187 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)F 7a_100000763591_100011216346 [0,2,0,0,0,0|2,0,0]=4 9188 B17R1.19225 CCOC(=O)C(C)OCCc1cccc(c1)N 34a_100011996697_100011216346 [0,2,0,0,0,0|2,0,0]=4 9189 B17R1.19225 CCOC(=O)[C@H](C)OCCc1cccc(c1)Br 7a_100000751109_100011740638 [0,2,0,0,0,0|2,0,0]=4 9190 B17R1.19225 CCOC(=O)[C@H](C)OCCc1cccc(c1)C 7a_100000751109_100011713685 [0,2,0,0,0,0|2,0,0]=4 9191 B17R1.19225 CCOC(=O)[C@H](C)OCCc1cccc(c1)Cl 7a_100000751109_100011713710 [0,2,0,0,0,0|2,0,0]=4 9192 B17R1.19225 CCOC(=O)[C@H](C)OCCc1cccc(c1)F 7a_100000751109_100011217235 [0,2,0,0,0,0|2,0,0]=4 9193 B17R1.25805 CC(C)(CCCBr)OCCc1cccc(c1)Br 7a_100009888830_100011740638 [0,2,0,0,0,0|2,0,0]=4 9194 B17R1.25805 CC(C)(CCCBr)OCCc1cccc(c1)Cl 7a_100009888830_100011713710 [0,2,0,0,0,0|2,0,0]=4 9195 B17R1.25805 CC(C)(CCCBr)OCCc1cccc(c1)F 7a_100009888830_100011217235 [0,2,0,0,0,0|2,0,0]=4 9196 B17R1.25805 CCCCC(C)(C)OCCc1cccc(c1)Br 7a_100011219641_100011740638 [0,2,0,0,0,0|1,0,0]=3 9197 B17R1.25805 CCCCC(C)(C)OCCc1cccc(c1)C 7a_100011219641_100011713685 [0,2,0,0,0,0|1,0,0]=3 9198 B17R1.25805 CCCCC(C)(C)OCCc1cccc(c1)Cl 7a_100011219641_100011713710 [0,2,0,0,0,0|1,0,0]=3 9199 B17R1.25805 CCCCC(C)(C)OCCc1cccc(c1)F 7a_100011219641_100011217235 [0,2,0,0,0,0|1,0,0]=3 9200 B17R1.25805 Cc1cccc(c1)CCOC(C)(C)CCCBr 7a_100009888830_100011713685 [0,2,0,0,0,0|2,0,0]=4 9201 B17R1.30224 C#Cc1cccc(c1)CNCC(C)OCCC 207a_100015185124_100011361529 [0,2,0,0,0,0|2,0,0]=4 9202 B17R1.30224 C=Cc1cccc(c1)CNCC(C)OCCC 26a_100015185124_100011309434 [0,2,0,0,0,0|2,0,0]=4 9203 B17R1.30224 C=Cc1cccc(c1)CNCC(C)OCCC 270004a_100015185124_100011218069 [0,2,0,0,0,0|2,0,0]=4 9204 B17R1.30224 CCC#CC(C)OCCc1cccc(c1)OC 34a_100000033903_100011713679 [0,2,0,0,0,0|1,0,1]=4 9205 B17R1.30224 CCC#CC(C)OCCc1cccc(c1)OC 7a_100000033903_100011713679 [0,2,0,0,0,0|1,0,1]=4 9206 B17R1.30224 CCCCC(C)NCCc1cccc(c1)OC 2230a_100000126638_100011713679 [0,2,0,0,0,0|2,0,0]=4 9207 B17R1.30224 CCCCC(C)NCCc1cccc(c1)OC 2230a_100000740386_200011215066 [0,2,0,0,0,0|2,0,0]=4 9208 B17R1.30224 CCCCC(C)NCCc1cccc(c1)OC 270004a_100000740386_100000210087 [0,2,0,0,0,0|2,0,0]=4 9209 B17R1.30224 CCCCC(C)NCCc1cccc(c1)OC 34a_100000740386_200011215066 [0,2,0,0,0,0|2,0,0]=4 9210 B17R1.30224 CCCCC(C)OCCc1cccc(c1)C#N 34a_100012001419_200011215066 [0,2,0,0,0,0|1,0,0]=3 9211 B17R1.30224 CCCCC(C)OCCc1cccc(c1)C#N 7a_100012001419_200011215066 [0,2,0,0,0,0|1,0,0]=3 9212 B17R1.30224 CCCCC(C)OCCc1cccc(c1)OC 34a_100000687866_100011713679 [0,2,0,0,0,0|1,0,0]=3 9213 B17R1.30224 CCCCC(C)OCCc1cccc(c1)OC 34a_100011215300_200011215066 [0,2,0,0,0,0|1,0,0]=3 9214 B17R1.30224 CCCCC(C)OCCc1cccc(c1)OC 7a_100000687866_100011713679 [0,2,0,0,0,0|1,0,0]=3 9215 B17R1.30224 CCCCC(C)OCCc1cccc(c1)OC 7a_100011215300_200011215066 [0,2,0,0,0,0|1,0,0]=3 9216 B17R1.30224 CCCCC(C)SCCc1cccc(c1)OC 62a_100011713679_200011215066 [0,2,0,0,0,0|1,1,0]=4 9217 B17R1.30224 CCCCC(C)SCCc1cccc(c1)OC 62a_200011215066_100011713679 [0,2,0,0,0,0|1,1,0]=4 9218 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C#N 207a_100015185124_100000241001 [0,2,0,0,0,0|2,0,0]=4 9219 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C#N 2230a_100015185124_100000233786 [0,2,0,0,0,0|2,0,0]=4 9220 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C#N 26a_100015185124_100000184713 [0,2,0,0,0,0|2,0,0]=4 9221 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C#N 270004a_100015185124_100000241001 [0,2,0,0,0,0|2,0,0]=4 9222 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C#N 34a_100015185124_100000233786 [0,2,0,0,0,0|2,0,0]=4 9223 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C=O 2230a_100015185124_100009816774 [0,2,0,0,0,0|2,0,0]=4 9224 B17R1.30224 CCCOC(C)CNCc1cccc(c1)C=O 34a_100015185124_100009816774 [0,2,0,0,0,0|2,0,0]=4 9225 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CBr 26a_100015185124_100011660834 [0,2,0,0,0,0|2,0,0]=4 9226 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CC 207a_100015185124_100011999841 [0,2,0,0,0,0|2,0,0]=4 9227 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CC 26a_100015185124_100000211550 [0,2,0,0,0,0|2,0,0]=4 9228 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CC 270004a_100015185124_100011999841 [0,2,0,0,0,0|2,0,0]=4 9229 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CCl 26a_100015185124_100000084143 [0,2,0,0,0,0|2,0,0]=4 9230 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CO 207a_100015185124_200000050894 [0,2,0,0,0,0|2,0,0]=4 9231 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CO 2230a_100015185124_100010188025 [0,2,0,0,0,0|2,0,0]=4 9232 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CO 26a_100015185124_100011214949 [0,2,0,0,0,0|2,0,0]=4 9233 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CO 270004a_100015185124_200000050894 [0,2,0,0,0,0|2,0,0]=4 9234 B17R1.30224 CCCOC(C)CNCc1cccc(c1)CO 34a_100015185124_100010188025 [0,2,0,0,0,0|2,0,0]=4 9235 B17R1.30224 CCCOC(C)CNCc1cccc(c1)OC 207a_100015185124_100000170238 [0,2,0,0,0,0|2,0,0]=4 9236 B17R1.30224 CCCOC(C)CNCc1cccc(c1)OC 2230a_100015185124_100000211672 [0,2,0,0,0,0|2,0,0]=4 9237 B17R1.30224 CCCOC(C)CNCc1cccc(c1)OC 26a_100015185124_100000211255 [0,2,0,0,0,0|2,0,0]=4 9238 B17R1.30224 CCCOC(C)CNCc1cccc(c1)OC 270004a_100015185124_100000170238 [0,2,0,0,0,0|2,0,0]=4 9239 B17R1.30224 CCCOC(C)CNCc1cccc(c1)OC 34a_100015185124_100000688526 [0,2,0,0,0,0|2,0,0]=4 9240 B17R1.30224 CCCOC(C)CNCc1cccc(c1)SC 207a_100015185124_100011935093 [0,2,0,0,0,0|2,0,0]=4 9241 B17R1.30224 CCCOC(C)CNCc1cccc(c1)SC 26a_100015185124_100011265683 [0,2,0,0,0,0|2,0,0]=4 9242 B17R1.30224 CCCOC(C)CNCc1cccc(c1)SC 270004a_100015185124_100011935093 [0,2,0,0,0,0|2,0,0]=4 9243 B17R1.30224 CCOCC(C)OCCc1cccc(c1)OC 34a_100000718985_100011713679 [0,2,0,0,0,0|2,0,0]=4 9244 B17R1.30224 CCOCC(C)OCCc1cccc(c1)OC 7a_100000718985_100011713679 [0,2,0,0,0,0|2,0,0]=4 9245 B17R1.30224 COc1cccc(c1)CCOC(C)CCCCl 34a_200000718107_100011713679 [0,2,0,0,0,0|2,0,0]=4 9246 B17R1.30224 COc1cccc(c1)CCOC(C)CCCCl 7a_200000718107_100011713679 [0,2,0,0,0,0|2,0,0]=4 9247 B17R1.971 CCCC(C)C(C)NCC(C)c1ccccc1 270004a_100000701038_100011216282 [0,2,0,0,0,0|2,0,0]=4 9248 B17R1.971 CCCC(C)C(C)NCC(O)c1ccccc1 270004a_100000210709_100011216282 [0,2,0,0,0,0|2,0,0]=4 9249 B17R1.971 CCCC(C)C(C)OCC(=O)c1ccccc1 7a_100000708338_100000211460 [0,2,0,0,0,0|1,0,1]=4 9250 B17R1.971 CCCC(C)C(C)OCC(C)c1ccccc1 34a_100000708338_100000756946 [0,2,0,0,0,0|1,0,0]=3 9251 B17R1.971 CCCC(C)C(C)OCC(C)c1ccccc1 7a_100000708338_100000756946 [0,2,0,0,0,0|1,0,0]=3 9252 B17R1.971 CCCC(C)C(C)OCC(O)c1ccccc1 34a_100000708338_100000185958 [0,2,0,0,0,0|1,0,0]=3 9253 B17R1.971 CCCC(C)C(C)OCC(O)c1ccccc1 7a_100000708338_100000185958 [0,2,0,0,0,0|1,0,0]=3 9254 B17R1.971 CCCC(C)C(C)OC[C@@H](O)c1ccccc1 34a_100000708338_100011933945 [0,2,0,0,0,0|1,0,0]=3 9255 B17R1.971 CCCC(C)C(C)OC[C@@H](O)c1ccccc1 7a_100000708338_100011933945 [0,2,0,0,0,0|1,0,0]=3 9256 B17R1.971 CCNC(=O)C(C)OCC(C)c1ccccc1 34a_100011215166_100000230173 [0,2,0,0,0,0|2,0,0]=4 9257 B17R1.971 CCNC(=O)C(C)OCC(C)c1ccccc1 7a_100011215166_100000230173 [0,2,0,0,0,0|2,0,0]=4 9258 B17R1.971 CCNC(=O)C(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100000230173 [0,2,0,0,0,0|2,0,0]=4 9259 B17R1.971 CCOC(=O)C(C)OCC(C)c1ccccc1 34a_100011215166_100011216346 [0,2,0,0,0,0|2,0,0]=4 9260 B17R1.971 CCOC(=O)C(C)OCC(C)c1ccccc1 7a_100011215166_100011216346 [0,2,0,0,0,0|2,0,0]=4 9261 B17R1.971 CCOC(=O)C(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011216346 [0,2,0,0,0,0|2,0,0]=4 9262 B17R1.971 CCOC(=O)[C@H](C)OCC(C)c1ccccc1 7a_100000751109_100000756946 [0,2,0,0,0,0|2,0,0]=4 9263 B17R1.971 CCOC(=O)[C@H](C)OCC(O)c1ccccc1 7a_100000751109_100000185958 [0,2,0,0,0,0|2,0,0]=4 9264 B17R1.971 CCOC(=O)[C@H](C)OC[C@@H](O)c1ccccc1 7a_100000751109_100011933945 [0,2,0,0,0,0|2,0,0]=4 9265 B17R1.1231 CCC(C)CC(C)NCC(C)c1ccccc1 2230a_100000763565_100000756946 [0,2,0,0,0,0|2,0,0]=4 9266 B17R1.1231 CCC(C)CC(C)NCC(C)c1ccccc1 270004a_100000701038_100011710205 [0,2,0,0,0,0|2,0,0]=4 9267 B17R1.1231 CCC(C)CC(C)NCC(C)c1ccccc1 270004a_100000763565_100000212034 [0,2,0,0,0,0|2,0,0]=4 9268 B17R1.1231 CCC(C)CC(C)NCC(O)c1ccccc1 2230a_100000763565_100000185958 [0,2,0,0,0,0|2,0,0]=4 9269 B17R1.1231 CCC(C)CC(C)NCC(O)c1ccccc1 270004a_100000210709_100011710205 [0,2,0,0,0,0|2,0,0]=4 9270 B17R1.1231 CCC(C)CC(C)NC[C@@H](O)c1ccccc1 2230a_100000763565_100011933945 [0,2,0,0,0,0|2,0,0]=4 9271 B17R1.1231 CCC(C)OC(C)CCC(=O)c1ccccc1 7a_200012571355_100000758301 [0,2,0,0,0,0|1,0,1]=4 9272 B17R1.1299 C#CCOCC(C)OCC(C)c1ccccc1 34a_100011025554_100000756946 [0,2,0,0,0,0|0,0,2]=4 9273 B17R1.1299 C#CCOCC(C)OCC(C)c1ccccc1 7a_100011025554_100000756946 [0,2,0,0,0,0|0,0,2]=4 9274 B17R1.1299 C#CCOCC(C)OCC(O)c1ccccc1 34a_100011025554_100000185958 [0,2,0,0,0,0|0,0,2]=4 9275 B17R1.1299 C#CCOCC(C)OCC(O)c1ccccc1 7a_100011025554_100000185958 [0,2,0,0,0,0|0,0,2]=4 9276 B17R1.1299 C#CCOCC(C)OC[C@@H](O)c1ccccc1 34a_100011025554_100011933945 [0,2,0,0,0,0|0,0,2]=4 9277 B17R1.1299 C#CCOCC(C)OC[C@@H](O)c1ccccc1 7a_100011025554_100011933945 [0,2,0,0,0,0|0,0,2]=4 9278 B17R1.1299 CC(CCC(=O)c1ccccc1)OCCCF 7a_200012571355_100011934791 [0,2,0,0,0,0|1,0,1]=4 9279 B17R1.1299 CC(CCC(=O)c1ccccc1)OCCCO 7a_200012571355_100011215043 [0,2,0,0,0,0|1,0,1]=4 9280 B17R1.1299 CCC#CCC(C)OCC(C)c1ccccc1 34a_200000035118_100000756946 [0,2,0,0,0,0|1,0,1]=4 9281 B17R1.1299 CCC#CCC(C)OCC(C)c1ccccc1 7a_200000035118_100000756946 [0,2,0,0,0,0|1,0,1]=4 9282 B17R1.1299 CCC#CCC(C)OCC(O)c1ccccc1 34a_200000035118_100000185958 [0,2,0,0,0,0|1,0,1]=4 9283 B17R1.1299 CCC#CCC(C)OCC(O)c1ccccc1 7a_200000035118_100000185958 [0,2,0,0,0,0|1,0,1]=4 9284 B17R1.1299 CCC#CCC(C)OC[C@@H](O)c1ccccc1 34a_200000035118_100011933945 [0,2,0,0,0,0|1,0,1]=4 9285 B17R1.1299 CCC#CCC(C)OC[C@@H](O)c1ccccc1 7a_200000035118_100011933945 [0,2,0,0,0,0|1,0,1]=4 9286 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 2230a_100000211957_100000756946 [0,2,0,0,0,0|2,0,0]=4 9287 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 2230a_100000701038_200011218191 [0,2,0,0,0,0|2,0,0]=4 9288 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 270004a_100000211957_100000212034 [0,2,0,0,0,0|2,0,0]=4 9289 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000211708 [0,2,0,0,0,0|2,0,0]=4 9290 B17R1.1299 CCCCCC(C)NCC(C)c1ccccc1 34a_100000701038_200011218191 [0,2,0,0,0,0|2,0,0]=4 9291 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 2230a_100000210709_200011218191 [0,2,0,0,0,0|2,0,0]=4 9292 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 2230a_100000211957_100000185958 [0,2,0,0,0,0|2,0,0]=4 9293 B17R1.1299 CCCCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000211708 [0,2,0,0,0,0|2,0,0]=4 9294 B17R1.1299 CCCCCC(C)NC[C@@H](O)c1ccccc1 2230a_100000211957_100011933945 [0,2,0,0,0,0|2,0,0]=4 9295 B17R1.1299 CCCCCC(C)OCC(=O)c1ccccc1 7a_100011215632_100000211460 [0,2,0,0,0,0|1,0,1]=4 9296 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215166_200011218191 [0,2,0,0,0,0|1,0,0]=3 9297 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 34a_100011215632_100000756946 [0,2,0,0,0,0|1,0,0]=3 9298 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215166_200011218191 [0,2,0,0,0,0|1,0,0]=3 9299 B17R1.1299 CCCCCC(C)OCC(C)c1ccccc1 7a_100011215632_100000756946 [0,2,0,0,0,0|1,0,0]=3 9300 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 34a_100011215632_100000185958 [0,2,0,0,0,0|1,0,0]=3 9301 B17R1.1299 CCCCCC(C)OCC(O)c1ccccc1 7a_100011215632_100000185958 [0,2,0,0,0,0|1,0,0]=3 9302 B17R1.1299 CCCCCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_200011218191 [0,2,0,0,0,0|1,0,0]=3 9303 B17R1.1299 CCCCCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_200011218191 [0,2,0,0,0,0|2,0,0]=4 9304 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 34a_100011215632_100011933945 [0,2,0,0,0,0|1,0,0]=3 9305 B17R1.1299 CCCCCC(C)OC[C@@H](O)c1ccccc1 7a_100011215632_100011933945 [0,2,0,0,0,0|1,0,0]=3 9306 B17R1.1299 CCCCCC(C)SCC(O)c1ccccc1 62a_100000185958_200011218191 [0,2,0,0,0,0|1,1,0]=4 9307 B17R1.1299 CCCCCC(C)SCC(O)c1ccccc1 62a_200011218191_100000185958 [0,2,0,0,0,0|1,1,0]=4 9308 B17R1.1299 CCCCCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_200011218191 [0,2,0,0,0,0|1,1,0]=4 9309 B17R1.1299 CCCCCC(C)SC[C@@H](O)c1ccccc1 62a_200011218191_100011933945 [0,2,0,0,0,0|1,1,0]=4 9310 B17R1.1299 CCCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210211 [0,2,0,0,0,0|1,0,1]=4 9311 B17R1.1299 CCCSCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011343953 [0,2,0,0,0,0|1,1,0]=4 9312 B17R1.1299 CCCSCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011343953 [0,2,0,0,0,0|1,1,0]=4 9313 B17R1.1299 CCOCCC(C)NCC(C)c1ccccc1 270004a_100000701038_200011216536 [0,2,0,0,0,0|2,0,0]=4 9314 B17R1.1299 CCOCCC(C)NCC(O)c1ccccc1 270004a_100000210709_200011216536 [0,2,0,0,0,0|2,0,0]=4 9315 B17R1.1299 COCCCC(C)OCC(=O)c1ccccc1 7a_200011539412_100000211460 [0,2,0,0,0,0|1,0,1]=4 9316 B17R1.1299 COCCCC(C)OCC(C)c1ccccc1 34a_200011539412_100000756946 [0,2,0,0,0,0|1,0,0]=3 9317 B17R1.1299 COCCCC(C)OCC(C)c1ccccc1 7a_200011539412_100000756946 [0,2,0,0,0,0|1,0,0]=3 9318 B17R1.1299 COCCCC(C)OCC(O)c1ccccc1 34a_200011539412_100000185958 [0,2,0,0,0,0|1,0,0]=3 9319 B17R1.1299 COCCCC(C)OCC(O)c1ccccc1 7a_200011539412_100000185958 [0,2,0,0,0,0|1,0,0]=3 9320 B17R1.1299 COCCCC(C)OC[C@@H](O)c1ccccc1 34a_200011539412_100011933945 [0,2,0,0,0,0|1,0,0]=3 9321 B17R1.1299 COCCCC(C)OC[C@@H](O)c1ccccc1 7a_200011539412_100011933945 [0,2,0,0,0,0|1,0,0]=3 9322 B17R1.1299 COCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000233755 [0,2,0,0,0,0|1,0,1]=4 9323 B17R1.1299 CSCCCC(C)NCC(C)c1ccccc1 270004a_100000701038_100011399439 [0,2,0,0,0,0|2,0,0]=4 9324 B17R1.1299 CSCCCC(C)NCC(O)c1ccccc1 270004a_100000210709_100011399439 [0,2,0,0,0,0|2,0,0]=4 9325 B17R1.1299 CSCCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000212216 [0,2,0,0,0,0|1,0,1]=4 9326 B17R1.1327 CC(C)CCC(C)NCC(C)c1ccccc1 2230a_100000701038_100011261404 [0,2,0,0,0,0|2,0,0]=4 9327 B17R1.1327 CC(C)CCC(C)NCC(C)c1ccccc1 2230a_100138410893_100000756946 [0,2,0,0,0,0|2,0,0]=4 9328 B17R1.1327 CC(C)CCC(C)NCC(C)c1ccccc1 270004a_100000701038_100000210476 [0,2,0,0,0,0|2,0,0]=4 9329 B17R1.1327 CC(C)CCC(C)NCC(C)c1ccccc1 270004a_100138410893_100000212034 [0,2,0,0,0,0|2,0,0]=4 9330 B17R1.1327 CC(C)CCC(C)NCC(C)c1ccccc1 34a_100000701038_100011261404 [0,2,0,0,0,0|2,0,0]=4 9331 B17R1.1327 CC(C)CCC(C)NCC(O)c1ccccc1 2230a_100000210709_100011261404 [0,2,0,0,0,0|2,0,0]=4 9332 B17R1.1327 CC(C)CCC(C)NCC(O)c1ccccc1 2230a_100138410893_100000185958 [0,2,0,0,0,0|2,0,0]=4 9333 B17R1.1327 CC(C)CCC(C)NCC(O)c1ccccc1 270004a_100000210709_100000210476 [0,2,0,0,0,0|2,0,0]=4 9334 B17R1.1327 CC(C)CCC(C)NC[C@@H](O)c1ccccc1 2230a_100138410893_100011933945 [0,2,0,0,0,0|2,0,0]=4 9335 B17R1.1327 CC(C)CCC(C)OCC(=O)c1ccccc1 7a_100011215350_100000211460 [0,2,0,0,0,0|1,0,1]=4 9336 B17R1.1327 CC(C)CCC(C)OCC(C)c1ccccc1 34a_100011215166_100011261404 [0,2,0,0,0,0|1,0,0]=3 9337 B17R1.1327 CC(C)CCC(C)OCC(C)c1ccccc1 34a_100011215350_100000756946 [0,2,0,0,0,0|1,0,0]=3 9338 B17R1.1327 CC(C)CCC(C)OCC(C)c1ccccc1 7a_100011215350_100000756946 [0,2,0,0,0,0|1,0,0]=3 9339 B17R1.1327 CC(C)CCC(C)OCC(O)c1ccccc1 34a_100011215350_100000185958 [0,2,0,0,0,0|1,0,0]=3 9340 B17R1.1327 CC(C)CCC(C)OCC(O)c1ccccc1 7a_100011215350_100000185958 [0,2,0,0,0,0|1,0,0]=3 9341 B17R1.1327 CC(C)CCC(C)OC[C@@H](N)c1ccccc1 34a_100000751927_100011261404 [0,2,0,0,0,0|1,0,0]=3 9342 B17R1.1327 CC(C)CCC(C)OC[C@@H](N)c1ccncc1 34a_100138412524_100011261404 [0,2,0,0,0,0|2,0,0]=4 9343 B17R1.1327 CC(C)CCC(C)OC[C@@H](O)c1ccccc1 34a_100011215350_100011933945 [0,2,0,0,0,0|1,0,0]=3 9344 B17R1.1327 CC(C)CCC(C)OC[C@@H](O)c1ccccc1 7a_100011215350_100011933945 [0,2,0,0,0,0|1,0,0]=3 9345 B17R1.1327 CC(C)CCC(C)SCC(O)c1ccccc1 62a_100000185958_100011261404 [0,2,0,0,0,0|1,1,0]=4 9346 B17R1.1327 CC(C)CCC(C)SCC(O)c1ccccc1 62a_100011261404_100000185958 [0,2,0,0,0,0|1,1,0]=4 9347 B17R1.1327 CC(C)CCC(C)SC[C@@H](O)c1ccccc1 62a_100011261404_100011933945 [0,2,0,0,0,0|1,1,0]=4 9348 B17R1.1327 CC(C)CCC(C)SC[C@@H](O)c1ccccc1 62a_100011933945_100011261404 [0,2,0,0,0,0|1,1,0]=4 9349 B17R1.1327 CC(C)COC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210760 [0,2,0,0,0,0|1,0,1]=4 9350 B17R1.1327 CC(CCC(=O)c1ccccc1)OC[C@@H](C)O 7a_200012571355_100009817552 [0,2,0,0,0,0|1,0,1]=4 9351 B17R1.1327 CC(O)COC(C)CCC(=O)c1ccccc1 7a_200012571355_100011218427 [0,2,0,0,0,0|1,0,1]=4 9352 B17R1.1538 CCCCC(C)C(=O)CC(C)c1ccccc1 1458a_100000183687_200011215066 [0,2,0,0,0,0|2,0,0]=4 9353 B17R1.1538 CCCCC(C)C(=O)CC(C)c1ccccc1 1458a_100000725509_100000756946 [0,2,0,0,0,0|2,0,0]=4 9354 B17R1.1538 CCCCC(C)C(=O)CC(O)c1ccccc1 1458a_100000690199_200011215066 [0,2,0,0,0,0|2,0,0]=4 9355 B17R1.1538 CCCCC(C)C(=O)CC(O)c1ccccc1 1458a_100000725509_100000185958 [0,2,0,0,0,0|2,0,0]=4 9356 B17R1.1538 CCCCC(C)C(=O)C[C@@H](O)c1ccccc1 1458a_100000725509_100011933945 [0,2,0,0,0,0|2,0,0]=4 9357 B17R1.1538 CCCCC(C)N(C)CC(O)c1ccccc1 2230a_100000227976_200011215066 [0,2,0,0,0,0|2,0,0]=4 9358 B17R1.1538 CCCCC(C)N(C)CC(O)c1ccccc1 269982a_100000227976_200011215066 [0,2,0,0,0,0|2,0,0]=4 9359 B17R1.1538 CCCCC(C)N(C)CC(O)c1ccccc1 270004a_100000227976_100000210087 [0,2,0,0,0,0|2,0,0]=4 9360 B17R1.1538 CCCOC(C)C(=O)NC(C)c1ccccc1 34a_100000210258_100000184655 [0,2,0,0,0,0|2,0,0]=4 9361 B17R1.1541 CCCCC(C)OC(C)C(=O)c1ccccc1 7a_100000687866_100000239700 [0,2,0,0,0,0|1,0,1]=4 9362 B17R1.1541 CCCCC(C)O[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200011215066 [0,2,0,0,0,0|1,0,0]=3 9363 B17R1.4951 C#CC(CCCC)OCC(C)c1ccccc1 34a_200011217967_100000756946 [0,2,0,0,0,0|1,0,1]=4 9364 B17R1.4951 C#CC(CCCC)OCC(C)c1ccccc1 7a_200011217967_100000756946 [0,2,0,0,0,0|1,0,1]=4 9365 B17R1.4951 C#CC(CCCC)OCC(O)c1ccccc1 34a_200011217967_100000185958 [0,2,0,0,0,0|1,0,1]=4 9366 B17R1.4951 C#CC(CCCC)OCC(O)c1ccccc1 7a_200011217967_100000185958 [0,2,0,0,0,0|1,0,1]=4 9367 B17R1.4951 C#CC(CCCC)OC[C@@H](O)c1ccccc1 34a_200011217967_100011933945 [0,2,0,0,0,0|1,0,1]=4 9368 B17R1.4951 C#CC(CCCC)OC[C@@H](O)c1ccccc1 7a_200011217967_100011933945 [0,2,0,0,0,0|1,0,1]=4 9369 B17R1.4951 C=CC(CCCC)OCC(C)c1ccccc1 34a_200011215037_100000756946 [0,2,0,0,0,0|1,0,1]=4 9370 B17R1.4951 C=CC(CCCC)OCC(C)c1ccccc1 7a_200011215037_100000756946 [0,2,0,0,0,0|1,0,1]=4 9371 B17R1.4951 C=CC(CCCC)OCC(O)c1ccccc1 34a_200011215037_100000185958 [0,2,0,0,0,0|1,0,1]=4 9372 B17R1.4951 C=CC(CCCC)OCC(O)c1ccccc1 7a_200011215037_100000185958 [0,2,0,0,0,0|1,0,1]=4 9373 B17R1.4951 C=CC(CCCC)OC[C@@H](O)c1ccccc1 34a_200011215037_100011933945 [0,2,0,0,0,0|1,0,1]=4 9374 B17R1.4951 C=CC(CCCC)OC[C@@H](O)c1ccccc1 7a_200011215037_100011933945 [0,2,0,0,0,0|1,0,1]=4 9375 B17R1.4951 CCCCC(CC)NCC(C)c1ccccc1 270004a_100000701038_100000753412 [0,2,0,0,0,0|2,0,0]=4 9376 B17R1.4951 CCCCC(CC)NCC(C)c1ccccc1 34a_100000701038_200011216223 [0,2,0,0,0,0|2,0,0]=4 9377 B17R1.4951 CCCCC(CC)NCC(O)c1ccccc1 270004a_100000210709_100000753412 [0,2,0,0,0,0|2,0,0]=4 9378 B17R1.4951 CCCCC(CC)OCC(=O)c1ccccc1 7a_100011215227_100000211460 [0,2,0,0,0,0|1,0,1]=4 9379 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 34a_100011215166_200011216223 [0,2,0,0,0,0|1,0,0]=3 9380 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 34a_100011215227_100000756946 [0,2,0,0,0,0|1,0,0]=3 9381 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 7a_100011215166_200011216223 [0,2,0,0,0,0|1,0,0]=3 9382 B17R1.4951 CCCCC(CC)OCC(C)c1ccccc1 7a_100011215227_100000756946 [0,2,0,0,0,0|1,0,0]=3 9383 B17R1.4951 CCCCC(CC)OCC(O)c1ccccc1 34a_100011215227_100000185958 [0,2,0,0,0,0|1,0,0]=3 9384 B17R1.4951 CCCCC(CC)OCC(O)c1ccccc1 7a_100011215227_100000185958 [0,2,0,0,0,0|1,0,0]=3 9385 B17R1.4951 CCCCC(CC)OC[C@@H](N)c1ccccc1 34a_100000751927_200011216223 [0,2,0,0,0,0|1,0,0]=3 9386 B17R1.4951 CCCCC(CC)OC[C@@H](N)c1ccncc1 34a_100138412524_200011216223 [0,2,0,0,0,0|2,0,0]=4 9387 B17R1.4951 CCCCC(CC)OC[C@@H](O)c1ccccc1 34a_100011215227_100011933945 [0,2,0,0,0,0|1,0,0]=3 9388 B17R1.4951 CCCCC(CC)OC[C@@H](O)c1ccccc1 7a_100011215227_100011933945 [0,2,0,0,0,0|1,0,0]=3 9389 B17R1.4951 CCCCC(CC)SCC(O)c1ccccc1 62a_100000185958_200011216223 [0,2,0,0,0,0|1,1,0]=4 9390 B17R1.4951 CCCCC(CC)SCC(O)c1ccccc1 62a_200011216223_100000185958 [0,2,0,0,0,0|1,1,0]=4 9391 B17R1.4951 CCCCC(CC)SC[C@@H](O)c1ccccc1 62a_100011933945_200011216223 [0,2,0,0,0,0|1,1,0]=4 9392 B17R1.4951 CCCCC(CC)SC[C@@H](O)c1ccccc1 62a_200011216223_100011933945 [0,2,0,0,0,0|1,1,0]=4 9393 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 2230a_100011934283_100000756946 [0,2,0,0,0,0|2,0,0]=4 9394 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 270004a_100011934283_100000212034 [0,2,0,0,0,0|2,0,0]=4 9395 B17R1.4951 CCCC[C@@H](CO)NCC(C)c1ccccc1 34a_100011934283_100000756946 [0,2,0,0,0,0|2,0,0]=4 9396 B17R1.4951 CCCC[C@@H](CO)NCC(O)c1ccccc1 2230a_100011934283_100000185958 [0,2,0,0,0,0|2,0,0]=4 9397 B17R1.4951 CCCC[C@@H](CO)NCC(O)c1ccccc1 34a_100011934283_100000185958 [0,2,0,0,0,0|2,0,0]=4 9398 B17R1.4951 CCCC[C@@H](CO)NC[C@@H](O)c1ccccc1 2230a_100011934283_100011933945 [0,2,0,0,0,0|2,0,0]=4 9399 B17R1.4951 CCCC[C@@H](CO)NC[C@@H](O)c1ccccc1 34a_100011934283_100011933945 [0,2,0,0,0,0|2,0,0]=4 9400 B17R1.4951 CCOCC(CN)OCC(C)c1ccccc1 34a_102515437182_100000756946 [0,2,0,0,0,0|2,0,0]=4 9401 B17R1.4951 CCOCC(CN)OCC(O)c1ccccc1 34a_102515437182_100000185958 [0,2,0,0,0,0|2,0,0]=4 9402 B17R1.4951 CCOCC(CN)OC[C@@H](O)c1ccccc1 34a_102515437182_100011933945 [0,2,0,0,0,0|2,0,0]=4 9403 B17R1.9307 CC(CCCCl)OCC(F)(F)c1ccccc1 34a_200000718107_100009875531 [0,2,0,0,0,0|2,0,0]=4 9404 B17R1.9307 CCC#CC(C)OCC(F)(F)c1ccccc1 34a_100000033903_100009875531 [0,2,0,0,0,0|1,0,1]=4 9405 B17R1.9307 CCCCC(C)NCC(C)(C)c1ccccc1 2230a_100011211644_200011215066 [0,2,0,0,0,0|2,0,0]=4 9406 B17R1.9307 CCCCC(C)NCC(C)(C)c1ccccc1 270004a_100011211644_100000210087 [0,2,0,0,0,0|2,0,0]=4 9407 B17R1.9307 CCCCC(C)NCC(C)(O)c1ccccc1 2230a_100011660926_200011215066 [0,2,0,0,0,0|2,0,0]=4 9408 B17R1.9307 CCCCC(C)NCC(C)(O)c1ccccc1 270004a_100011660926_100000210087 [0,2,0,0,0,0|2,0,0]=4 9409 B17R1.9307 CCCCC(C)NCC(F)(F)c1ccccc1 270004a_100000717977_100000210087 [0,2,0,0,0,0|2,0,0]=4 9410 B17R1.9307 CCCCC(C)NCC(F)(F)c1ccccc1 34a_100000717977_200011215066 [0,2,0,0,0,0|2,0,0]=4 9411 B17R1.9307 CCCCC(C)OCC(C)(C)c1ccccc1 7a_100000747608_200011215066 [0,2,0,0,0,0|1,0,0]=3 9412 B17R1.9307 CCCCC(C)OCC(F)(F)c1ccccc1 34a_100000687866_100009875531 [0,2,0,0,0,0|1,0,0]=3 9413 B17R1.9307 CCCCC(C)OCS(=O)(=O)c1ccccc1 34a_100000687866_200009813291 [0,2,0,0,0,0|2,0,0]=4 9414 B17R1.9307 CCCCC(C)OC[Si](C)(C)c1ccccc1 7a_100000687866_100000038972 [0,2,0,0,0,0|1,1,0]=4 9415 B17R1.9307 CCCOC(C)CNC(C)(C)c1ccccc1 2230a_100015185124_100000034625 [0,2,0,0,0,0|2,0,0]=4 9416 B17R1.9307 CCOCC(C)OCC(F)(F)c1ccccc1 34a_100000718985_100009875531 [0,2,0,0,0,0|2,0,0]=4 9417 B17R1.9312 C=CC(NCC(C)OCCC)c1ccccc1 2230a_100015185124_200000085779 [0,2,0,0,0,0|2,0,0]=4 9418 B17R1.9312 CCCCC(C)NCC(CC)c1ccccc1 270004a_100000126638_100000753018 [0,2,0,0,0,0|2,0,0]=4 9419 B17R1.9312 CCCCC(C)OCC(CC)c1ccccc1 34a_100000752371_200011215066 [0,2,0,0,0,0|1,0,0]=3 9420 B17R1.9312 CCCCC(C)OCC(CC)c1ccccc1 7a_100000752371_200011215066 [0,2,0,0,0,0|1,0,0]=3 9421 B17R1.9312 CCCCC(C)OCC(OC)c1ccccc1 34a_100011215540_200011215066 [0,2,0,0,0,0|1,0,0]=3 9422 B17R1.9312 CCCCC(C)OCC(OC)c1ccccc1 7a_100011215540_200011215066 [0,2,0,0,0,0|1,0,0]=3 9423 B17R1.9312 CCCOC(C)CNC(CC)c1ccccc1 269862a_100015185124_100000210124 [0,2,0,0,0,0|2,0,0]=4 9424 B17R1.9325 CC(C)(CCCBr)OCC(O)c1ccccc1 7a_100009888830_100000185958 [0,2,0,0,0,0|2,0,0]=4 9425 B17R1.9325 CC(C)(CCCBr)OC[C@@H](O)c1ccccc1 7a_100009888830_100011933945 [0,2,0,0,0,0|2,0,0]=4 9426 B17R1.9325 CC(COC(C)(C)CCCBr)c1ccccc1 7a_100009888830_100000756946 [0,2,0,0,0,0|2,0,0]=4 9427 B17R1.9325 CCCCC(C)(C)OCC(=O)c1ccccc1 7a_100011219641_100000211460 [0,2,0,0,0,0|1,0,1]=4 9428 B17R1.9325 CCCCC(C)(C)OCC(C)c1ccccc1 7a_100011219641_100000756946 [0,2,0,0,0,0|1,0,0]=3 9429 B17R1.9325 CCCCC(C)(C)OCC(O)c1ccccc1 7a_100011219641_100000185958 [0,2,0,0,0,0|1,0,0]=3 9430 B17R1.9325 CCCCC(C)(C)OC[C@@H](O)c1ccccc1 7a_100011219641_100011933945 [0,2,0,0,0,0|1,0,0]=3 9431 B17R1.18156 CCCCC(C)NCC(O)c1ccccc1Br 2230a_100011236429_200011215066 [0,2,0,0,0,0|2,0,0]=4 9432 B17R1.18156 CCCCC(C)NCC(O)c1ccccc1Br 270004a_100011236429_100000210087 [0,2,0,0,0,0|2,0,0]=4 9433 B17R1.18156 CCCCC(C)NCC(O)c1ccccc1Cl 2230a_200000759403_200011215066 [0,2,0,0,0,0|2,0,0]=4 9434 B17R1.18156 CCCCC(C)NCC(O)c1ccccc1Cl 270004a_200000759403_100000210087 [0,2,0,0,0,0|2,0,0]=4 9435 B17R1.18156 CCCCC(C)NCC(O)c1ccccc1Cl 34a_200000759403_200011215066 [0,2,0,0,0,0|2,0,0]=4 9436 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1Br 34a_100000687866_100000199116 [0,2,0,0,0,0|1,0,1]=4 9437 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1C 34a_100000687866_100000741374 [0,2,0,0,0,0|1,0,1]=4 9438 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1C 7a_100000687866_100000741374 [0,2,0,0,0,0|1,0,1]=4 9439 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1Cl 34a_100000687866_100000211432 [0,2,0,0,0,0|1,0,1]=4 9440 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1F 34a_100000687866_100000204681 [0,2,0,0,0,0|1,0,1]=4 9441 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1F 7a_100000687866_100000204681 [0,2,0,0,0,0|1,0,1]=4 9442 B17R1.18156 CCCCC(C)OCC(=O)c1ccccc1O 7a_100000687866_100000188908 [0,2,0,0,0,0|1,0,1]=4 9443 B17R1.18156 CCCCC(C)OCC(N)c1ccccc1Cl 34a_100138412506_200011215066 [0,2,0,0,0,0|1,0,0]=3 9444 B17R1.18156 CCCCC(C)OCC(N)c1ccncc1Cl 34a_200020642286_200011215066 [0,2,0,0,0,0|2,0,0]=4 9445 B17R1.18156 CCCCC(C)OC[C@@H](N)c1ccccc1Br 34a_100161155918_200011215066 [0,2,0,0,0,0|1,0,0]=3 9446 B17R1.18156 CCCCC(C)OC[C@H](N)c1ccccc1F 34a_100009818778_200011215066 [0,2,0,0,0,0|1,0,0]=3 9447 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1Br 269862a_100015185124_100000187085 [0,2,0,0,0,0|2,0,0]=4 9448 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1C 269862a_100015185124_100000211656 [0,2,0,0,0,0|2,0,0]=4 9449 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1Cl 2230a_100015185124_100000181259 [0,2,0,0,0,0|2,0,0]=4 9450 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1Cl 269862a_100015185124_100000210134 [0,2,0,0,0,0|2,0,0]=4 9451 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1F 2230a_100015185124_200000741388 [0,2,0,0,0,0|2,0,0]=4 9452 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1F 269862a_100015185124_100000210632 [0,2,0,0,0,0|2,0,0]=4 9453 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1F 34a_100015185124_200000741388 [0,2,0,0,0,0|2,0,0]=4 9454 B17R1.18156 CCCOC(C)CNC(C)c1ccccc1I 269862a_100015185124_100000751169 [0,2,0,0,0,0|2,0,0]=4 9455 B17R1.913 CCC(C)CC(C)N(C)CCc1ccccc1 270004a_100000207497_100011710205 [0,2,0,0,0,0|2,0,0]=4 9456 B17R1.913 CCC(C)OC(C)C(=O)NCc1ccccc1 7a_100000210228_100000183842 [0,2,0,0,0,0|2,0,0]=4 9457 B17R1.913 CCC(C)O[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000758301 [0,2,0,0,0,0|2,0,0]=4 9458 B17R1.2398 CCC(C)C(=O)C(C)CCCc1ccccc1 1458a_100011192722_200010759516 [0,2,0,0,0,0|2,0,0]=4 9459 B17R1.2398 CCC(C)C(C)C(C)OCCc1ccccc1 7a_200011290770_100000765856 [0,2,0,0,0,0|1,0,0]=3 9460 B17R1.2398 CCC(C)C(C)C(C)OCCc1ccccn1 7a_200011290770_100015183660 [0,2,0,0,0,0|2,0,0]=4 9461 B17R1.2398 CCC(C)C(C)C(C)OCCc1cccnc1 7a_200011290770_200011713674 [0,2,0,0,0,0|2,0,0]=4 9462 B17R1.2398 CCC(C)C(C)C(C)OCCc1ccncc1 7a_200011290770_100000723409 [0,2,0,0,0,0|2,0,0]=4 9463 B17R1.2398 CCC(C)N(C)C(C)CCCc1ccccc1 2230a_100000741768_200010759516 [0,2,0,0,0,0|2,0,0]=4 9464 B17R1.2398 CCC(C)N(C)C(C)CCCc1ccccc1 269982a_100000741768_200010759516 [0,2,0,0,0,0|2,0,0]=4 9465 B17R1.2398 CCC(O)C(=O)C(C)CCCc1ccccc1 1458a_100011196387_200010759516 [0,2,0,0,0,0|2,0,0]=4 9466 B17R1.2398 CCN(C)C(=O)C(C)OCCc1ccccc1 34a_100000210268_200012002205 [0,2,0,0,0,0|2,0,0]=4 9467 B17R1.2398 CCN(C)C(=O)C(C)OCCc1ccccc1 7a_100000210268_200012002205 [0,2,0,0,0,0|2,0,0]=4 9468 B17R1.7964 CCC(C)CC(CC)NCCc1ccccc1 270004a_100000106460_100000184709 [0,2,0,0,0,0|2,0,0]=4 9469 B17R1.7964 CCC(C)CC(CC)OCCc1ccccc1 7a_200011216566_100000765856 [0,2,0,0,0,0|1,0,0]=3 9470 B17R1.7964 CCC(C)CC(CC)OCCc1ccccn1 7a_200011216566_100015183660 [0,2,0,0,0,0|2,0,0]=4 9471 B17R1.7964 CCC(C)CC(CC)OCCc1cccnc1 7a_200011216566_200011713674 [0,2,0,0,0,0|2,0,0]=4 9472 B17R1.7964 CCC(C)CC(CC)OCCc1ccncc1 7a_200011216566_100000723409 [0,2,0,0,0,0|2,0,0]=4 9473 B17R1.13857 CC(CCCc1ccccc1)OC(C)(C)CCl 7a_100000764493_200010759516 [0,2,0,0,0,0|2,0,0]=4 9474 B17R1.13857 CCC(C)(C)NC(C)CCCc1ccccc1 2230a_100000211385_200010759516 [0,2,0,0,0,0|2,0,0]=4 9475 B17R1.13857 CCC(C)(C)OC(C)CCCc1ccccc1 7a_100000210230_200010759516 [0,2,0,0,0,0|1,0,0]=3 9476 B17R1.13857 CCC(C)(C)OC(C)COCc1ccccc1 7a_100000764311_100000210677 [0,2,0,0,0,0|2,0,0]=4 9477 B17R1.13857 COC(C)(C)CC(C)OCCc1ccccc1 7a_200011252547_100000765856 [0,2,0,0,0,0|2,0,0]=4 9478 B17R1.16104 C#CC(CC)OC(C)CCCc1ccccc1 34a_100000758843_200010759516 [0,2,0,0,0,0|1,0,0]=3 9479 B17R1.16104 C#CC(CC)OC(C)CCCc1ccccc1 7a_100000758843_200010759516 [0,2,0,0,0,0|1,0,0]=3 9480 B17R1.16104 C=CC(CC)OC(C)CCCc1ccccc1 34a_100000766422_200010759516 [0,2,0,0,0,0|1,0,0]=3 9481 B17R1.16104 C=CC(CC)OC(C)CCCc1ccccc1 7a_100000766422_200010759516 [0,2,0,0,0,0|1,0,0]=3 9482 B17R1.16104 CC(CCCc1ccccc1)OC(CCl)CCl 7a_100000737055_200010759516 [0,2,0,0,0,0|2,0,0]=4 9483 B17R1.16104 CC(CCCc1ccccc1)OC(CF)CF 34a_100000032261_200010759516 [0,2,0,0,0,0|2,0,0]=4 9484 B17R1.16104 CC(CCCc1ccccc1)OC(CF)CF 7a_100000032261_200010759516 [0,2,0,0,0,0|2,0,0]=4 9485 B17R1.16104 CC(CCCc1ccccc1)OC(CN)CN 34a_100000031598_200010759516 [0,2,0,0,0,0|2,0,0]=4 9486 B17R1.16104 CC(CCCc1ccccc1)O[C@@H](CF)CCl 34a_100015614560_200010759516 [0,2,0,0,0,0|2,0,0]=4 9487 B17R1.16104 CC(CCCc1ccccc1)O[C@@H](CF)CCl 7a_100015614560_200010759516 [0,2,0,0,0,0|2,0,0]=4 9488 B17R1.16104 CCC(CC)NC(C)CCCc1ccccc1 2230a_100000199018_200010759516 [0,2,0,0,0,0|2,0,0]=4 9489 B17R1.16104 CCC(CC)OC(C)CCCc1ccccc1 7a_100000688536_200010759516 [0,2,0,0,0,0|1,0,0]=3 9490 B17R1.16104 CCC(CC)OC(C)COCc1ccccc1 7a_100000764311_100000210505 [0,2,0,0,0,0|2,0,0]=4 9491 B17R1.16104 CC[C@@H](CO)NC(C)CCCc1ccccc1 2230a_100000709445_200010759516 [0,2,0,0,0,0|2,0,0]=4 9492 B17R1.16104 COC(CC(C)OCCc1ccccc1)OC 7a_100011018202_100000765856 [0,2,0,0,0,0|2,0,0]=4 9493 B17R1.16303 CC(=O)C(C)OC(C)CCCc1ccccc1 34a_100000212229_200010759516 [0,2,0,0,0,0|1,0,1]=4 9494 B17R1.16303 CC(CCCc1ccccc1)NC(C)C(C)C 2230a_100000211541_200010759516 [0,2,0,0,0,0|2,0,0]=4 9495 B17R1.16303 CC(CCCc1ccccc1)OC(C)C(C)C 7a_100000748068_200010759516 [0,2,0,0,0,0|1,0,0]=3 9496 B17R1.22068 C#CCC(C)OC(C)CCCc1ccccc1 34a_100000685586_200010759516 [0,2,0,0,0,0|1,0,1]=4 9497 B17R1.22068 C#CCC(C)OC(C)CCCc1ccccc1 7a_100000685586_200010759516 [0,2,0,0,0,0|1,0,1]=4 9498 B17R1.22068 C/C=C/C(C)OC(C)CCCc1ccccc1 34a_200102604097_200010759516 [0,2,0,0,0,0|1,0,1]=4 9499 B17R1.22068 C=CC[C@@H](C)OC(C)CCCc1ccccc1 34a_100000731007_200010759516 [0,2,0,0,0,0|1,0,1]=4 9500 B17R1.22068 C=CC[C@@H](C)OC(C)CCCc1ccccc1 7a_100000731007_200010759516 [0,2,0,0,0,0|1,0,1]=4 9501 B17R1.22068 CC#CC(C)OC(C)CCCc1ccccc1 34a_100011216543_200010759516 [0,2,0,0,0,0|1,0,1]=4 9502 B17R1.22068 CC(CCBr)OC(C)CCCc1ccccc1 34a_100012276601_200010759516 [0,2,0,0,0,0|1,0,0]=3 9503 B17R1.22068 CC(CCCc1ccccc1)N[C@H](C)CCO 2230a_100000706166_200010759516 [0,2,0,0,0,0|2,0,0]=4 9504 B17R1.22068 CC(CCCc1ccccc1)N[C@H](C)CCO 34a_100000706166_200010759516 [0,2,0,0,0,0|2,0,0]=4 9505 B17R1.22068 CC(CCO)OC(C)COCc1ccccc1 34a_100000764311_100009893172 [0,2,0,0,0,0|2,0,0]=4 9506 B17R1.22068 CC(CCO)OC(C)COCc1ccccc1 7a_100000764311_100009893172 [0,2,0,0,0,0|2,0,0]=4 9507 B17R1.22068 CC(CCO)SC(C)CCCc1ccccc1 62a_100009893172_200010759516 [0,2,0,0,0,0|1,1,0]=4 9508 B17R1.22068 CC(CCO)SC(C)CCCc1ccccc1 62a_200010759516_100009893172 [0,2,0,0,0,0|1,1,0]=4 9509 B17R1.22068 CCCC(C)NC(C)CCCc1ccccc1 2230a_100000741246_200010759516 [0,2,0,0,0,0|2,0,0]=4 9510 B17R1.22068 CCCC(C)OC(C)CCCc1ccccc1 34a_100000764384_200010759516 [0,2,0,0,0,0|1,0,0]=3 9511 B17R1.22068 CCCC(C)OC(C)CCCc1ccccc1 7a_100000764384_200010759516 [0,2,0,0,0,0|1,0,0]=3 9512 B17R1.22068 CCCC(C)OC(C)COCc1ccccc1 34a_100000764311_100000766640 [0,2,0,0,0,0|2,0,0]=4 9513 B17R1.22068 CCCC(C)OC(C)COCc1ccccc1 7a_100000764311_100000766640 [0,2,0,0,0,0|2,0,0]=4 9514 B17R1.22068 CCOC(=O)CC(C)OCCc1ccccc1 7a_100000210268_100009817359 [0,2,0,0,0,0|1,0,1]=4 9515 B17R1.22068 CCOC(=O)C[C@@H](C)OCCc1ccccc1 7a_100009816390_100000765856 [0,2,0,0,0,0|1,0,1]=4 9516 B17R1.22068 CCOC(=O)OC(C)SCCc1ccccc1 62a_100000036008_100011218657 [0,2,0,0,0,0|0,1,1]=4 9517 B17R1.22068 CCOC(=O)OC(C)SCCc1ccccc1 62a_100000765856_100000036008 [0,2,0,0,0,0|0,1,1]=4 9518 B17R1.22068 CCOC(C)O[C@H](C)COCc1ccccc1 34a_200015424329_100015291786 [0,2,0,0,0,0|2,0,0]=4 9519 B17R1.22068 CCOC(C)O[C@H](C)COCc1ccccc1 7a_200015424329_100000211182 [0,2,0,0,0,0|2,0,0]=4 9520 B17R1.22068 COCC(C)OC(C)COCc1ccccc1 34a_100000764311_100000765312 [0,2,0,0,0,0|2,0,0]=4 9521 B17R1.22068 COCC(C)OC(C)COCc1ccccc1 7a_100000764311_100000765312 [0,2,0,0,0,0|2,0,0]=4 9522 B17R1.22068 COCC(C)SC(C)CCCc1ccccc1 62a_100000765312_200010759516 [0,2,0,0,0,0|1,1,0]=4 9523 B17R1.22068 COCC(C)SC(C)CCCc1ccccc1 62a_200010759516_100000765312 [0,2,0,0,0,0|1,1,0]=4 9524 B17R1.22068 COC[C@@H](C)NC(C)CCCc1ccccc1 2230a_100000764878_200010759516 [0,2,0,0,0,0|2,0,0]=4 9525 B17R1.22068 COC[C@@H](C)OC(C)CCCc1ccccc1 34a_100011934205_200010759516 [0,2,0,0,0,0|1,0,0]=3 9526 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1Br 2230a_100000763565_100012161201 [0,2,0,0,0,0|2,0,0]=4 9527 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1Br 270004a_100000747383_100011710205 [0,2,0,0,0,0|2,0,0]=4 9528 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1C 2230a_100000763565_100011713688 [0,2,0,0,0,0|2,0,0]=4 9529 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1C 270004a_100000685071_100011710205 [0,2,0,0,0,0|2,0,0]=4 9530 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1Cl 2230a_100000763565_100011713703 [0,2,0,0,0,0|2,0,0]=4 9531 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1Cl 270004a_100000763565_200011713468 [0,2,0,0,0,0|2,0,0]=4 9532 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1Cl 270004a_100011207228_100011710205 [0,2,0,0,0,0|2,0,0]=4 9533 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1F 2230a_100000763565_100011713696 [0,2,0,0,0,0|2,0,0]=4 9534 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1F 270004a_100000185272_100011710205 [0,2,0,0,0,0|2,0,0]=4 9535 B17R1.24757 CCC(C)CC(C)NCCc1ccccc1O 270004a_100011207237_100011710205 [0,2,0,0,0,0|2,0,0]=4 9536 B17R1.1563 C#CC(Cc1ccccc1)OC(C)CCCC 34a_100000685211_200011215066 [0,2,0,0,0,0|1,0,0]=3 9537 B17R1.1563 C#CC(Cc1ccccc1)OC(C)CCCC 7a_100000685211_200011215066 [0,2,0,0,0,0|1,0,0]=3 9538 B17R1.1563 CC(CCCCl)OC(C#N)Cc1ccccc1 7a_200000718107_100000183401 [0,2,0,0,0,0|2,0,0]=4 9539 B17R1.1563 CCC#CC(C)OC(C#N)Cc1ccccc1 7a_100000033903_100000183401 [0,2,0,0,0,0|1,0,1]=4 9540 B17R1.1563 CCCCC(C)NC(C#N)Cc1ccccc1 2230a_100000746547_200011215066 [0,2,0,0,0,0|2,0,0]=4 9541 B17R1.1563 CCCCC(C)NC(CC)Cc1ccccc1 270004a_100000126638_100000212045 [0,2,0,0,0,0|2,0,0]=4 9542 B17R1.1563 CCCCC(C)NC(CO)Cc1ccccc1 2230a_100000739027_200011215066 [0,2,0,0,0,0|2,0,0]=4 9543 B17R1.1563 CCCCC(C)NC(CO)Cc1ccccc1 270004a_100000739027_100000210087 [0,2,0,0,0,0|2,0,0]=4 9544 B17R1.1563 CCCCC(C)OC(C#N)Cc1ccccc1 7a_100000687866_100000183401 [0,2,0,0,0,0|1,0,0]=3 9545 B17R1.1563 CCCCC(C)OC(CC)Cc1ccccc1 7a_100000760156_200011215066 [0,2,0,0,0,0|1,0,0]=3 9546 B17R1.1563 CCCCC(C)OC(CN)Cc1ccccc1 34a_100000752270_200011215066 [0,2,0,0,0,0|1,0,0]=3 9547 B17R1.1563 CCCCC(C)O[C@H](CCl)Cc1ccccc1 7a_100000729385_200011215066 [0,2,0,0,0,0|1,0,0]=3 9548 B17R1.1563 CCCCC(C)SC(C#N)Cc1ccccc1 62a_100000183401_200011215066 [0,2,0,0,0,0|1,1,0]=4 9549 B17R1.1563 CCCCC(C)SC(C#N)Cc1ccccc1 62a_200011215066_100000183401 [0,2,0,0,0,0|1,1,0]=4 9550 B17R1.1563 CCOCC(C)OC(C#N)Cc1ccccc1 7a_100000718985_100000183401 [0,2,0,0,0,0|2,0,0]=4 9551 B17R1.1572 CCCCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000725509_200011218536 [0,2,0,0,0,0|2,0,0]=4 9552 B17R1.1572 CCCCC(C)C(=O)C(C)Cc1ccccc1 1458a_100000754839_200011215066 [0,2,0,0,0,0|2,0,0]=4 9553 B17R1.1572 CCCCC(C)C(=O)[C@H](O)Cc1ccccc1 1458a_100009816399_200011215066 [0,2,0,0,0,0|2,0,0]=4 9554 B17R1.1889 C#CCOCC(C)OC(C)Cc1ccccc1 34a_100011025554_200011218536 [0,2,0,0,0,0|0,0,2]=4 9555 B17R1.1889 C#CCOCC(C)OC(C)Cc1ccccc1 7a_100011025554_200011218536 [0,2,0,0,0,0|0,0,2]=4 9556 B17R1.1889 CCC#CCC(C)OC(C)Cc1ccccc1 34a_200000035118_200011218536 [0,2,0,0,0,0|1,0,1]=4 9557 B17R1.1889 CCC#CCC(C)OC(C)Cc1ccccc1 7a_200000035118_200011218536 [0,2,0,0,0,0|1,0,1]=4 9558 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100000748627_200011218191 [0,2,0,0,0,0|1,0,0]=3 9559 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 34a_100011215632_200011218536 [0,2,0,0,0,0|1,0,0]=3 9560 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100000748627_200011218191 [0,2,0,0,0,0|1,0,0]=3 9561 B17R1.1889 CCCCCC(C)OC(C)Cc1ccccc1 7a_100011215632_200011218536 [0,2,0,0,0,0|1,0,0]=3 9562 B17R1.1889 COCCCC(C)OC(C)Cc1ccccc1 34a_200011539412_200011218536 [0,2,0,0,0,0|1,0,0]=3 9563 B17R1.1889 COCCCC(C)OC(C)Cc1ccccc1 7a_200011539412_200011218536 [0,2,0,0,0,0|1,0,0]=3 9564 B17R1.4081 C#CC(CCCC)OC(C)Cc1ccccc1 34a_200011217967_200011218536 [0,2,0,0,0,0|1,0,1]=4 9565 B17R1.4081 C#CC(CCCC)OC(C)Cc1ccccc1 7a_200011217967_200011218536 [0,2,0,0,0,0|1,0,1]=4 9566 B17R1.4081 C=CC(CCCC)OC(C)Cc1ccccc1 34a_200011215037_200011218536 [0,2,0,0,0,0|1,0,1]=4 9567 B17R1.4081 C=CC(CCCC)OC(C)Cc1ccccc1 7a_200011215037_200011218536 [0,2,0,0,0,0|1,0,1]=4 9568 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 34a_100000748627_200011216223 [0,2,0,0,0,0|1,0,0]=3 9569 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 34a_100011215227_200011218536 [0,2,0,0,0,0|1,0,0]=3 9570 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 7a_100000748627_200011216223 [0,2,0,0,0,0|1,0,0]=3 9571 B17R1.4081 CCCCC(CC)OC(C)Cc1ccccc1 7a_100011215227_200011218536 [0,2,0,0,0,0|1,0,0]=3 9572 B17R1.4081 CCCC[C@@H](CO)NC(C)Cc1ccccc1 34a_100011934283_200011218536 [0,2,0,0,0,0|2,0,0]=4 9573 B17R1.4081 CCOCC(CN)OC(C)Cc1ccccc1 34a_102515437182_200011218536 [0,2,0,0,0,0|2,0,0]=4 9574 B17R1.5005 CC(C)CCC(C)OC(C)Cc1ccccc1 34a_100000748627_100011261404 [0,2,0,0,0,0|1,0,0]=3 9575 B17R1.5005 CC(C)CCC(C)OC(C)Cc1ccccc1 34a_100011215350_200011218536 [0,2,0,0,0,0|1,0,0]=3 9576 B17R1.5005 CC(C)CCC(C)OC(C)Cc1ccccc1 7a_100011215350_200011218536 [0,2,0,0,0,0|1,0,0]=3 9577 B17R1.5054 CCCC(C)C(C)OC(C)Cc1ccccc1 34a_100000708338_200011218536 [0,2,0,0,0,0|1,0,0]=3 9578 B17R1.5054 CCCC(C)C(C)OC(C)Cc1ccccc1 7a_100000708338_200011218536 [0,2,0,0,0,0|1,0,0]=3 9579 B17R1.5054 CCNC(=O)C(C)OC(C)Cc1ccccc1 34a_100000748627_100000230173 [0,2,0,0,0,0|2,0,0]=4 9580 B17R1.5054 CCNC(=O)C(C)OC(C)Cc1ccccc1 7a_100000748627_100000230173 [0,2,0,0,0,0|2,0,0]=4 9581 B17R1.5054 CCOC(=O)C(C)OC(C)Cc1ccccc1 34a_100000748627_100011216346 [0,2,0,0,0,0|2,0,0]=4 9582 B17R1.5054 CCOC(=O)C(C)OC(C)Cc1ccccc1 7a_100000748627_100011216346 [0,2,0,0,0,0|2,0,0]=4 9583 B17R1.5054 CCOC(=O)[C@H](C)OC(C)Cc1ccccc1 7a_100000751109_200011218536 [0,2,0,0,0,0|2,0,0]=4 9584 B17R1.8046 CC(Cc1ccccc1)OC(C)(C)CCCBr 7a_100009888830_200011218536 [0,2,0,0,0,0|2,0,0]=4 9585 B17R1.8046 CCCCC(C)(C)OC(C)Cc1ccccc1 7a_100011219641_200011218536 [0,2,0,0,0,0|1,0,0]=3 9586 B17R1.8461 CCCCC(C)NC(C)Cc1ccccc1Br 270004a_100000126638_100011350739 [0,2,0,0,0,0|2,0,0]=4 9587 B17R1.8461 CCCCC(C)NC(C)Cc1ccccc1C 270004a_100000126638_200000764500 [0,2,0,0,0,0|2,0,0]=4 9588 B17R1.8461 CCCCC(C)NC(C)Cc1ccccc1Cl 270004a_100000126638_100000758791 [0,2,0,0,0,0|2,0,0]=4 9589 B17R1.8461 CCCCC(C)NC(C)Cc1ccccc1F 270004a_100000126638_100000709178 [0,2,0,0,0,0|2,0,0]=4 9590 B17R1.30269 CCCCC(C)OC(C)(C)Cc1ccccc1 7a_100011215222_200011215066 [0,2,0,0,0,0|1,0,0]=3 9591 B17R1.30269 CCCCC(C)OC(F)(F)Oc1ccccc1 7a_100000687866_200000057402 [0,2,0,0,0,0|2,0,0]=4 9592 B17R1.86 CCCCC(C)N(CC)CCc1ccccc1 2230a_100000741020_200011215066 [0,2,0,0,0,0|2,0,0]=4 9593 B17R1.86 CCCCC(C)N(CC)CCc1ccccc1 269982a_100000741020_200011215066 [0,2,0,0,0,0|2,0,0]=4 9594 B17R1.86 CCCCC(C)N(CC)CCc1ccccc1 270004a_100000741020_100000210087 [0,2,0,0,0,0|2,0,0]=4 9595 B17R1.1909 CC(OCCCBr)C(=O)NCc1ccccc1 34a_100011217188_200011934207 [0,2,0,0,0,0|2,0,0]=4 9596 B17R1.1909 CC(OCCCCl)C(=O)NCc1ccccc1 34a_100000230001_200011934207 [0,2,0,0,0,0|2,0,0]=4 9597 B17R1.1909 CC(OCCCF)C(=O)NCc1ccccc1 34a_100000759539_200011934207 [0,2,0,0,0,0|2,0,0]=4 9598 B17R1.1909 CC(OCCCN)C(=O)NCc1ccccc1 34a_100000182051_200011934207 [0,2,0,0,0,0|2,0,0]=4 9599 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccc1 1458a_100000185753_200011218191 [0,2,0,0,0,0|2,0,0]=4 9600 B17R1.1909 CCCCCC(C)C(=O)CCc1ccccc1 1458a_100011215998_100000765856 [0,2,0,0,0,0|2,0,0]=4 9601 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 2230a_100000207497_200011218191 [0,2,0,0,0,0|2,0,0]=4 9602 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 269982a_100000207497_200011218191 [0,2,0,0,0,0|2,0,0]=4 9603 B17R1.1909 CCCCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000211708 [0,2,0,0,0,0|2,0,0]=4 9604 B17R1.1909 CCCCOC(C)C(=O)NCc1ccccc1 34a_100000210227_200011934207 [0,2,0,0,0,0|2,0,0]=4 9605 B17R1.1909 CCCCOC(C)C(=O)NCc1ccccc1 7a_100000210227_100000183842 [0,2,0,0,0,0|2,0,0]=4 9606 B17R1.1909 CCCCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210211 [0,2,0,0,0,0|2,0,0]=4 9607 B17R1.1909 CCCCSC(C)C(=O)CCc1ccccc1 1458a_100000191163_100000765856 [0,2,0,0,0,0|1,1,0]=4 9608 B17R1.1909 CCCSCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011343953 [0,2,0,0,0,0|1,1,0]=4 9609 B17R1.1909 CCOCCC(C)N(C)CCc1ccccc1 270004a_100000207497_200011216536 [0,2,0,0,0,0|2,0,0]=4 9610 B17R1.1909 COCCOC(C)C(=O)NCc1ccccc1 34a_100000210237_200011934207 [0,2,0,0,0,0|2,0,0]=4 9611 B17R1.1909 COCCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000233755 [0,2,0,0,0,0|2,0,0]=4 9612 B17R1.1909 CSCCCC(C)N(C)CCc1ccccc1 270004a_100000207497_100011399439 [0,2,0,0,0,0|2,0,0]=4 9613 B17R1.1909 CSCCOC(C)C(=O)NCc1ccccc1 34a_100000230434_200011934207 [0,2,0,0,0,0|2,0,0]=4 9614 B17R1.1909 CSCCOC(C)C(=O)NCc1ccccc1 7a_100000230434_100000183842 [0,2,0,0,0,0|2,0,0]=4 9615 B17R1.1909 CSCCO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000212216 [0,2,0,0,0,0|2,0,0]=4 9616 B17R1.1909 C[C@H](OCCCF)C(=O)OCc1ccccc1 7a_100016105899_100011934791 [0,2,0,0,0,0|2,0,0]=4 9617 B17R1.1909 C[C@H](OCCCO)C(=O)OCc1ccccc1 7a_100016105899_100011215043 [0,2,0,0,0,0|2,0,0]=4 9618 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccc1 1458a_100000185753_200011216223 [0,2,0,0,0,0|2,0,0]=4 9619 B17R1.4100 CCCCC(CC)C(=O)CCc1ccccc1 1458a_100000211130_100000765856 [0,2,0,0,0,0|2,0,0]=4 9620 B17R1.4100 CCCCC(CC)N(C)CCc1ccccc1 269982a_100000207497_200011216223 [0,2,0,0,0,0|2,0,0]=4 9621 B17R1.4100 CCCCC(CC)N(C)CCc1ccccc1 270004a_100000207497_100000753412 [0,2,0,0,0,0|2,0,0]=4 9622 B17R1.5010 CC(Br)COC(C)C(=O)NCc1ccccc1 34a_100012180447_200011934207 [0,2,0,0,0,0|2,0,0]=4 9623 B17R1.5010 CC(C)CCC(C)C(=O)CCc1ccccc1 1458a_100000185753_100011261404 [0,2,0,0,0,0|2,0,0]=4 9624 B17R1.5010 CC(C)CCC(C)N(C)CCc1ccccc1 2230a_100000207497_100011261404 [0,2,0,0,0,0|2,0,0]=4 9625 B17R1.5010 CC(C)CCC(C)N(C)CCc1ccccc1 269982a_100000207497_100011261404 [0,2,0,0,0,0|2,0,0]=4 9626 B17R1.5010 CC(C)CCC(C)N(C)CCc1ccccc1 270004a_100000207497_100000210476 [0,2,0,0,0,0|2,0,0]=4 9627 B17R1.5010 CC(C)COC(C)C(=O)NCc1ccccc1 34a_100000210257_200011934207 [0,2,0,0,0,0|2,0,0]=4 9628 B17R1.5010 CC(C)CO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100000210760 [0,2,0,0,0,0|2,0,0]=4 9629 B17R1.5010 CC(F)COC(C)C(=O)NCc1ccccc1 34a_100015925927_200011934207 [0,2,0,0,0,0|2,0,0]=4 9630 B17R1.5010 CC(O)CO[C@@H](C)C(=O)OCc1ccccc1 7a_100016105899_100011218427 [0,2,0,0,0,0|2,0,0]=4 9631 B17R1.5010 CC(OC[C@@H](C)Cl)C(=O)NCc1ccccc1 34a_100016084084_200011934207 [0,2,0,0,0,0|2,0,0]=4 9632 B17R1.5010 CC(OC[C@@H](C)N)C(=O)NCc1ccccc1 34a_100000737577_200011934207 [0,2,0,0,0,0|2,0,0]=4 9633 B17R1.5010 C[C@H](OC[C@@H](C)O)C(=O)OCc1ccccc1 7a_100016105899_100009817552 [0,2,0,0,0,0|2,0,0]=4 9634 B17R1.5071 CCCC(C)C(C)N(C)CCc1ccccc1 270004a_100000207497_100011216282 [0,2,0,0,0,0|2,0,0]=4 9635 B17R1.8065 CCCCC(C)(C)C(=O)CCc1ccccc1 1458a_100011216040_100000765856 [0,2,0,0,0,0|2,0,0]=4 9636 B17R1.8065 CCCCC(C)(O)C(=O)CCc1ccccc1 1458a_100000137666_100000765856 [0,2,0,0,0,0|2,0,0]=4 9637 B17R1.8065 CCCOC(C)(C)C(=O)NCc1ccccc1 34a_100000210258_200012340349 [0,2,0,0,0,0|2,0,0]=4 9638 B17R1.8065 CCCOC(C)(C)C(=O)OCc1ccccc1 34a_200000058941_100000210303 [0,2,0,0,0,0|2,0,0]=4 9639 B17R1.8065 CCCOC(C)(C)C(=O)OCc1ccccc1 7a_200000058941_100000210303 [0,2,0,0,0,0|2,0,0]=4 9640 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1Br 1458a_100000725509_100012161201 [0,2,0,0,0,0|2,0,0]=4 9641 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1Br 1458a_100000740810_200011215066 [0,2,0,0,0,0|2,0,0]=4 9642 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1C 1458a_100000725509_100011713688 [0,2,0,0,0,0|2,0,0]=4 9643 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1C 1458a_100000748742_200011215066 [0,2,0,0,0,0|2,0,0]=4 9644 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1Cl 1458a_100000184300_200011215066 [0,2,0,0,0,0|2,0,0]=4 9645 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1Cl 1458a_100000725509_100011713703 [0,2,0,0,0,0|2,0,0]=4 9646 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1F 1458a_100000189703_200011215066 [0,2,0,0,0,0|2,0,0]=4 9647 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1F 1458a_100000725509_100000720011 [0,2,0,0,0,0|2,0,0]=4 9648 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1I 1458a_100000037306_200011215066 [0,2,0,0,0,0|2,0,0]=4 9649 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1O 1458a_100000181328_200011215066 [0,2,0,0,0,0|2,0,0]=4 9650 B17R1.9122 CCCCC(C)C(=O)CCc1ccccc1O 1458a_100000725509_100000722297 [0,2,0,0,0,0|2,0,0]=4 9651 B17R1.9122 CCCCC(C)N(C)CCc1ccccc1F 2230a_100000232559_200011215066 [0,2,0,0,0,0|2,0,0]=4 9652 B17R1.9122 CCCCC(C)N(C)CCc1ccccc1F 269982a_100000232559_200011215066 [0,2,0,0,0,0|2,0,0]=4 9653 B17R1.9122 CCCCC(C)N(C)CCc1ccccc1F 270004a_100000232559_100000210087 [0,2,0,0,0,0|2,0,0]=4 9654 B17R1.9122 CCCCC(C)N(C)CCc1ccccc1F 34a_100000232559_200011215066 [0,2,0,0,0,0|2,0,0]=4 9655 B17R1.9122 CCCOC(C)C(=O)NCc1ccccc1C 34a_100000210258_100000735952 [0,2,0,0,0,0|2,0,0]=4 9656 B17R1.9122 CCCOC(C)C(=O)NCc1ccccc1Cl 34a_100000210258_100000230298 [0,2,0,0,0,0|2,0,0]=4 9657 B17R1.9122 CCCOC(C)C(=O)NCc1ccccc1F 34a_100000210258_100000735943 [0,2,0,0,0,0|2,0,0]=4 9658 B17R1.1937 C#CC(CCCCC)OCCc1ccccc1 34a_100011216489_100000765856 [0,2,0,0,0,0|1,0,1]=4 9659 B17R1.1937 C#CC(CCCCC)OCCc1ccccc1 7a_100011216489_100000765856 [0,2,0,0,0,0|1,0,1]=4 9660 B17R1.1937 C=CC(CCCCC)OCCc1ccccc1 34a_100011216863_100000765856 [0,2,0,0,0,0|1,0,1]=4 9661 B17R1.1937 C=CC(CCCCC)OCCc1ccccc1 7a_100011216863_100000765856 [0,2,0,0,0,0|1,0,1]=4 9662 B17R1.1937 CCCCCC(CC)NCCc1ccccc1 270004a_100000106460_100011215316 [0,2,0,0,0,0|2,0,0]=4 9663 B17R1.1937 CCCCCC(CC)OCCc1ccccc1 34a_100011215405_100000765856 [0,2,0,0,0,0|1,0,0]=3 9664 B17R1.1937 CCCCCC(CC)OCCc1ccccc1 7a_100011215405_100000765856 [0,2,0,0,0,0|1,0,0]=3 9665 B17R1.1937 CCCCCC(CC)OCCc1ccccn1 7a_100011215405_100015183660 [0,2,0,0,0,0|2,0,0]=4 9666 B17R1.1937 CCCCCC(CC)OCCc1cccnc1 7a_100011215405_200011713674 [0,2,0,0,0,0|2,0,0]=4 9667 B17R1.1937 CCCCCC(CC)OCCc1ccncc1 7a_100011215405_100000723409 [0,2,0,0,0,0|2,0,0]=4 9668 B17R1.7823 C#CCCCNC(C)CCCc1ccccc1 34a_100000718082_200010759516 [0,2,0,0,0,0|2,0,0]=4 9669 B17R1.7823 C#CCCCOC(C)CCCc1ccccc1 34a_100000215630_200010759516 [0,2,0,0,0,0|1,0,0]=3 9670 B17R1.7823 C#CCCCOC(C)CCCc1ccccc1 7a_100000215630_200010759516 [0,2,0,0,0,0|1,0,0]=3 9671 B17R1.7823 C#CCCCOC(C)COCc1ccccc1 34a_100000764311_100000695029 [0,2,0,0,0,0|2,0,0]=4 9672 B17R1.7823 C#CCCCOC(C)COCc1ccccc1 7a_100000764311_100011215417 [0,2,0,0,0,0|2,0,0]=4 9673 B17R1.7823 C#CCCCSC(C)CCCc1ccccc1 62a_100011215417_200010759516 [0,2,0,0,0,0|1,1,0]=4 9674 B17R1.7823 C#CCCCSC(C)CCCc1ccccc1 62a_200010759516_100011215417 [0,2,0,0,0,0|1,1,0]=4 9675 B17R1.7823 C/C=C/CCOC(C)CCCc1ccccc1 34a_100016278192_200010759516 [0,2,0,0,0,0|1,0,0]=3 9676 B17R1.7823 C=CCCCNC(C)CCCc1ccccc1 2230a_100000700776_200010759516 [0,2,0,0,0,0|2,0,0]=4 9677 B17R1.7823 C=CCCCNC(C)CCCc1ccccc1 34a_100000700776_200010759516 [0,2,0,0,0,0|2,0,0]=4 9678 B17R1.7823 C=CCCCOC(C)CCCc1ccccc1 34a_100000758997_200010759516 [0,2,0,0,0,0|1,0,0]=3 9679 B17R1.7823 C=CCCCOC(C)CCCc1ccccc1 7a_100000758997_200010759516 [0,2,0,0,0,0|1,0,0]=3 9680 B17R1.7823 C=CCCCOC(C)COCc1ccccc1 34a_100000764311_100000757094 [0,2,0,0,0,0|2,0,0]=4 9681 B17R1.7823 C=CCCCOC(C)COCc1ccccc1 7a_100000764311_100000757094 [0,2,0,0,0,0|2,0,0]=4 9682 B17R1.7823 C=COCCOC(C)CCCc1ccccc1 34a_100000033082_200010759516 [0,2,0,0,0,0|1,0,1]=4 9683 B17R1.7823 CC#CCCOC(C)CCCc1ccccc1 34a_100000750427_200010759516 [0,2,0,0,0,0|1,0,0]=3 9684 B17R1.7823 CC(CCCc1ccccc1)NCCCCO 2230a_100000750430_200010759516 [0,2,0,0,0,0|2,0,0]=4 9685 B17R1.7823 CC(CCCc1ccccc1)NCCCCO 34a_100000750430_200010759516 [0,2,0,0,0,0|2,0,0]=4 9686 B17R1.7823 CC(CCCc1ccccc1)OCC#CCCl 34a_200000047223_200010759516 [0,2,0,0,0,0|1,0,1]=4 9687 B17R1.7823 CC(CCCc1ccccc1)OCCCCBr 34a_100011216708_200010759516 [0,2,0,0,0,0|1,0,0]=3 9688 B17R1.7823 CC(CCCc1ccccc1)OCCCCCl 34a_100000210776_200010759516 [0,2,0,0,0,0|1,0,0]=3 9689 B17R1.7823 CC(CCCc1ccccc1)OCCCCCl 7a_100000210776_200010759516 [0,2,0,0,0,0|1,0,0]=3 9690 B17R1.7823 CC(CCCc1ccccc1)OCCCCF 34a_100011995726_200010759516 [0,2,0,0,0,0|1,0,0]=3 9691 B17R1.7823 CC(CCCc1ccccc1)OCCCCF 7a_100011995726_200010759516 [0,2,0,0,0,0|1,0,0]=3 9692 B17R1.7823 CC(CCCc1ccccc1)OCCCCI 34a_200012148704_200010759516 [0,2,0,0,0,0|1,0,0]=3 9693 B17R1.7823 CC(CCCc1ccccc1)OCCCCN 34a_100000750430_200010759516 [0,2,0,0,0,0|1,0,0]=3 9694 B17R1.7823 CC(CCCc1ccccc1)SCCCC#N 62a_100000687738_200010759516 [0,2,0,0,0,0|1,1,0]=4 9695 B17R1.7823 CC(CCCc1ccccc1)SCCCC#N 62a_200010759516_100000687738 [0,2,0,0,0,0|1,1,0]=4 9696 B17R1.7823 CC(CCCc1ccccc1)SCCCC=O 62a_200010759516_200011292268 [0,2,0,0,0,0|1,1,0]=4 9697 B17R1.7823 CC(CCCc1ccccc1)SCCCC=O 62a_200011292268_200010759516 [0,2,0,0,0,0|1,1,0]=4 9698 B17R1.7823 CC(CCCc1ccccc1)SCCCCF 62a_100000729493_200010759516 [0,2,0,0,0,0|1,1,0]=4 9699 B17R1.7823 CC(CCCc1ccccc1)SCCCCF 62a_200010759516_100000729493 [0,2,0,0,0,0|1,1,0]=4 9700 B17R1.7823 CC(CCCc1ccccc1)SCCCCO 62a_100000210776_200010759516 [0,2,0,0,0,0|1,1,0]=4 9701 B17R1.7823 CC(CCCc1ccccc1)SCCCCO 62a_200010759516_100000210776 [0,2,0,0,0,0|1,1,0]=4 9702 B17R1.7823 CC(CNCc1ccccc1)COCCCF 34a_100015184949_100011934791 [0,2,0,0,0,0|2,0,0]=4 9703 B17R1.7823 CC(CNCc1ccccc1)COCCCO 34a_100015184949_100000230001 [0,2,0,0,0,0|2,0,0]=4 9704 B17R1.7823 CC(COCCCBr)COCc1ccccc1 34a_100011217188_100011216253 [0,2,0,0,0,0|2,0,0]=4 9705 B17R1.7823 CC(COCCCCl)COCc1ccccc1 34a_100000230001_100011216253 [0,2,0,0,0,0|2,0,0]=4 9706 B17R1.7823 CC(COCCCF)COCc1ccccc1 34a_100000759539_100011216253 [0,2,0,0,0,0|2,0,0]=4 9707 B17R1.7823 CC(COCCCF)COCc1ccccc1 34a_200011216033_100011934791 [0,2,0,0,0,0|2,0,0]=4 9708 B17R1.7823 CC(COCCCF)COCc1ccccc1 7a_200011216033_100011934791 [0,2,0,0,0,0|2,0,0]=4 9709 B17R1.7823 CC(COCCCN)COCc1ccccc1 34a_100000182051_100011216253 [0,2,0,0,0,0|2,0,0]=4 9710 B17R1.7823 CC(COCCCO)COCc1ccccc1 34a_200011216033_100000230001 [0,2,0,0,0,0|2,0,0]=4 9711 B17R1.7823 CC(COCCCO)COCc1ccccc1 7a_200011216033_100011215043 [0,2,0,0,0,0|2,0,0]=4 9712 B17R1.7823 CC(COCc1ccccc1)OCCCC#N 7a_100000764311_100000687738 [0,2,0,0,0,0|2,0,0]=4 9713 B17R1.7823 CC(COCc1ccccc1)OCCCC=O 7a_100000764311_200011292268 [0,2,0,0,0,0|2,0,0]=4 9714 B17R1.7823 CC(COCc1ccccc1)OCCCCF 34a_100000764311_100000729493 [0,2,0,0,0,0|2,0,0]=4 9715 B17R1.7823 CC(COCc1ccccc1)OCCCCF 7a_100000764311_100000729493 [0,2,0,0,0,0|2,0,0]=4 9716 B17R1.7823 CC(COCc1ccccc1)OCCCCO 34a_100000764311_100011216708 [0,2,0,0,0,0|2,0,0]=4 9717 B17R1.7823 CC(COCc1ccccc1)OCCCCO 7a_100000764311_100000210776 [0,2,0,0,0,0|2,0,0]=4 9718 B17R1.7823 CC/C=C\COC(C)CCCc1ccccc1 34a_100016268518_200010759516 [0,2,0,0,0,0|1,0,0]=3 9719 B17R1.7823 CC/C=C\COC(C)COCc1ccccc1 34a_100000764311_100103147603 [0,2,0,0,0,0|2,0,0]=4 9720 B17R1.7823 CC/C=C\COC(C)COCc1ccccc1 7a_100000764311_100103147603 [0,2,0,0,0,0|2,0,0]=4 9721 B17R1.7823 CCC#CCOC(C)CCCc1ccccc1 34a_100000032950_200010759516 [0,2,0,0,0,0|1,0,0]=3 9722 B17R1.7823 CCC#CCOC(C)COCc1ccccc1 34a_100000764311_100009813939 [0,2,0,0,0,0|2,0,0]=4 9723 B17R1.7823 CCC#CCOC(C)COCc1ccccc1 7a_100000764311_100009813939 [0,2,0,0,0,0|2,0,0]=4 9724 B17R1.7823 CCC#CCSC(C)CCCc1ccccc1 62a_100009813939_200010759516 [0,2,0,0,0,0|1,1,0]=4 9725 B17R1.7823 CCC#CCSC(C)CCCc1ccccc1 62a_200010759516_100009813939 [0,2,0,0,0,0|1,1,0]=4 9726 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 2230a_100000106460_100011215978 [0,2,0,0,0,0|2,0,0]=4 9727 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 2230a_100000210919_100000765856 [0,2,0,0,0,0|2,0,0]=4 9728 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 270004a_100000106460_100000210826 [0,2,0,0,0,0|2,0,0]=4 9729 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 34a_100000106460_100011215978 [0,2,0,0,0,0|2,0,0]=4 9730 B17R1.7823 CCCCCCC(C)NCCc1ccccc1 34a_100000210919_100000765856 [0,2,0,0,0,0|2,0,0]=4 9731 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 34a_100000210265_100000765856 [0,2,0,0,0,0|1,0,0]=3 9732 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 34a_100000210268_100011215978 [0,2,0,0,0,0|1,0,0]=3 9733 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 7a_100000210265_100000765856 [0,2,0,0,0,0|1,0,0]=3 9734 B17R1.7823 CCCCCCC(C)OCCc1ccccc1 7a_100000210268_100011215978 [0,2,0,0,0,0|1,0,0]=3 9735 B17R1.7823 CCCCCCC(C)OCCc1ccccn1 34a_100000210271_100011215978 [0,2,0,0,0,0|2,0,0]=4 9736 B17R1.7823 CCCCCCC(C)OCCc1ccccn1 7a_100000210265_100015183660 [0,2,0,0,0,0|2,0,0]=4 9737 B17R1.7823 CCCCCCC(C)OCCc1cccnc1 34a_100011217484_100011215978 [0,2,0,0,0,0|2,0,0]=4 9738 B17R1.7823 CCCCCCC(C)OCCc1cccnc1 7a_100000210265_200011713674 [0,2,0,0,0,0|2,0,0]=4 9739 B17R1.7823 CCCCCCC(C)OCCc1ccncc1 34a_100011216225_100011215978 [0,2,0,0,0,0|2,0,0]=4 9740 B17R1.7823 CCCCCCC(C)OCCc1ccncc1 7a_100000210265_100000723409 [0,2,0,0,0,0|2,0,0]=4 9741 B17R1.7823 CCCCCNC(C)CCCc1ccccc1 2230a_100000209983_200010759516 [0,2,0,0,0,0|2,0,0]=4 9742 B17R1.7823 CCCCCOC(C)CCCc1ccccc1 34a_100000210253_200010759516 [0,2,0,0,0,0|1,0,0]=3 9743 B17R1.7823 CCCCCOC(C)CCCc1ccccc1 7a_100000210253_200010759516 [0,2,0,0,0,0|1,0,0]=3 9744 B17R1.7823 CCCCCOC(C)COCc1ccccc1 34a_100000764311_100000718602 [0,2,0,0,0,0|2,0,0]=4 9745 B17R1.7823 CCCCCOC(C)COCc1ccccc1 7a_100000764311_100000210326 [0,2,0,0,0,0|2,0,0]=4 9746 B17R1.7823 CCCCOCC(=O)OCCc1ccccc1 34a_100000210227_200000077782 [0,2,0,0,0,0|1,0,1]=4 9747 B17R1.7823 CCCCOCC(=O)OCCc1ccccc1 7a_100000210227_200000077782 [0,2,0,0,0,0|1,0,1]=4 9748 B17R1.7823 CCCCOCC(C)CNCc1ccccc1 34a_100015184949_100000210210 [0,2,0,0,0,0|2,0,0]=4 9749 B17R1.7823 CCCCOCC(C)COCc1ccccc1 34a_100000210227_100011216253 [0,2,0,0,0,0|2,0,0]=4 9750 B17R1.7823 CCCCOCC(C)COCc1ccccc1 34a_200011216033_100000210210 [0,2,0,0,0,0|2,0,0]=4 9751 B17R1.7823 CCCCOCC(C)COCc1ccccc1 7a_100000210227_100011216253 [0,2,0,0,0,0|2,0,0]=4 9752 B17R1.7823 CCCCOCC(C)COCc1ccccc1 7a_200011216033_100000210211 [0,2,0,0,0,0|2,0,0]=4 9753 B17R1.7823 CCCCOCC(C)OCCc1ccccc1 34a_100011217071_100000765856 [0,2,0,0,0,0|0,0,0]=2 9754 B17R1.7823 CCCCOCC(C)OCCc1ccccc1 7a_100011217071_100000765856 [0,2,0,0,0,0|0,0,0]=2 9755 B17R1.7823 CCCCOCC(C)OCCc1ccccn1 7a_100011217071_100015183660 [0,2,0,0,0,0|1,0,0]=3 9756 B17R1.7823 CCCCOCC(C)OCCc1cccnc1 7a_100011217071_200011713674 [0,2,0,0,0,0|1,0,0]=3 9757 B17R1.7823 CCCCOCC(C)OCCc1ccncc1 7a_100011217071_100000723409 [0,2,0,0,0,0|1,0,0]=3 9758 B17R1.7823 CCCCOCN(C)CCCc1ccccc1 2230a_100000693637_100011995733 [0,2,0,0,0,0|2,0,0]=4 9759 B17R1.7823 CCCCOCN(C)CCCc1ccccc1 269982a_100000693637_100011995733 [0,2,0,0,0,0|2,0,0]=4 9760 B17R1.7823 CCCOCCN(C)CCCc1ccccc1 2230a_100000693637_100011215938 [0,2,0,0,0,0|2,0,0]=4 9761 B17R1.7823 CCCOCCN(C)CCCc1ccccc1 269982a_100000693637_100011215938 [0,2,0,0,0,0|2,0,0]=4 9762 B17R1.7823 CCOCCNC(C)CCCc1ccccc1 2230a_102516460346_200010759516 [0,2,0,0,0,0|2,0,0]=4 9763 B17R1.7823 CCOCCNC(C)CCCc1ccccc1 34a_102516460346_200010759516 [0,2,0,0,0,0|2,0,0]=4 9764 B17R1.7823 CCOCCOC(C)CCCc1ccccc1 34a_100000210136_200010759516 [0,2,0,0,0,0|1,0,0]=3 9765 B17R1.7823 CCOCCOC(C)CCCc1ccccc1 7a_100000210136_200010759516 [0,2,0,0,0,0|1,0,0]=3 9766 B17R1.7823 CCOCCOC(C)COCc1ccccc1 34a_100000764311_100000210147 [0,2,0,0,0,0|2,0,0]=4 9767 B17R1.7823 CCOCCOC(C)COCc1ccccc1 7a_100000764311_100011215890 [0,2,0,0,0,0|2,0,0]=4 9768 B17R1.7823 CCOCCSC(C)CCCc1ccccc1 62a_100000210147_200010759516 [0,2,0,0,0,0|1,1,0]=4 9769 B17R1.7823 CCOCCSC(C)CCCc1ccccc1 62a_200010759516_100011215890 [0,2,0,0,0,0|1,1,0]=4 9770 B17R1.7823 CCSCCNC(C)CCCc1ccccc1 2230a_100000106463_200010759516 [0,2,0,0,0,0|2,0,0]=4 9771 B17R1.7823 CCSCCOC(C)CCCc1ccccc1 34a_100000212035_200010759516 [0,2,0,0,0,0|1,0,0]=3 9772 B17R1.7823 CCSCCOC(C)CCCc1ccccc1 7a_100000212035_200010759516 [0,2,0,0,0,0|1,0,0]=3 9773 B17R1.7823 CCSCCOC(C)COCc1ccccc1 34a_100000764311_100000757381 [0,2,0,0,0,0|2,0,0]=4 9774 B17R1.7823 CCSCCOC(C)COCc1ccccc1 7a_100000764311_100000757381 [0,2,0,0,0,0|2,0,0]=4 9775 B17R1.7823 CCSCCSC(C)CCCc1ccccc1 62a_100000757381_200010759516 [0,2,0,0,0,0|1,1,0]=4 9776 B17R1.7823 CCSCCSC(C)CCCc1ccccc1 62a_200010759516_100000757381 [0,2,0,0,0,0|1,1,0]=4 9777 B17R1.7823 CNCCCOC(C)CCCc1ccccc1 34a_100000213112_200010759516 [0,2,0,0,0,0|1,0,0]=3 9778 B17R1.7823 COCCCNC(C)CCCc1ccccc1 34a_100150723488_200010759516 [0,2,0,0,0,0|2,0,0]=4 9779 B17R1.7823 COCCCOC(C)CCCc1ccccc1 34a_100000740835_200010759516 [0,2,0,0,0,0|1,0,0]=3 9780 B17R1.7823 COCCCOC(C)COCc1ccccc1 34a_100000764311_100000740836 [0,2,0,0,0,0|2,0,0]=4 9781 B17R1.7823 COCCCOC(C)COCc1ccccc1 7a_100000764311_100000740836 [0,2,0,0,0,0|2,0,0]=4 9782 B17R1.7823 COCCCSC(C)CCCc1ccccc1 62a_100000709357_200010759516 [0,2,0,0,0,0|1,1,0]=4 9783 B17R1.7823 COCCCSC(C)CCCc1ccccc1 62a_200010759516_100000709357 [0,2,0,0,0,0|1,1,0]=4 9784 B17R1.7823 COCCOCC(=O)OCCc1ccccc1 34a_100000210237_200000077782 [0,2,0,0,0,0|1,0,1]=4 9785 B17R1.7823 COCCOCC(C)CNCc1ccccc1 34a_100015184949_100011201679 [0,2,0,0,0,0|2,0,0]=4 9786 B17R1.7823 COCCOCC(C)COCc1ccccc1 34a_100000210237_100011216253 [0,2,0,0,0,0|2,0,0]=4 9787 B17R1.7823 COCCOCC(C)COCc1ccccc1 34a_200011216033_100011201679 [0,2,0,0,0,0|2,0,0]=4 9788 B17R1.7823 COCCOCC(C)COCc1ccccc1 7a_200011216033_100000233755 [0,2,0,0,0,0|2,0,0]=4 9789 B17R1.7823 COCCOCN(C)CCCc1ccccc1 2230a_100000693637_100000231047 [0,2,0,0,0,0|2,0,0]=4 9790 B17R1.7823 COCCOCN(C)CCCc1ccccc1 269982a_100000693637_100000231047 [0,2,0,0,0,0|2,0,0]=4 9791 B17R1.7823 CSCCCNC(C)CCCc1ccccc1 2230a_100000749238_200010759516 [0,2,0,0,0,0|2,0,0]=4 9792 B17R1.7823 CSCCCOC(C)CCCc1ccccc1 34a_100000690336_200010759516 [0,2,0,0,0,0|1,0,0]=3 9793 B17R1.7823 CSCCCOC(C)CCCc1ccccc1 7a_100000690336_200010759516 [0,2,0,0,0,0|1,0,0]=3 9794 B17R1.7823 CSCCOCC(=O)OCCc1ccccc1 34a_100000230434_200000077782 [0,2,0,0,0,0|1,0,1]=4 9795 B17R1.7823 CSCCOCC(=O)OCCc1ccccc1 7a_100000230434_200000077782 [0,2,0,0,0,0|1,0,1]=4 9796 B17R1.7823 CSCCOCC(C)CNCc1ccccc1 34a_100015184949_100000212216 [0,2,0,0,0,0|2,0,0]=4 9797 B17R1.7823 CSCCOCC(C)COCc1ccccc1 34a_100000230434_100011216253 [0,2,0,0,0,0|2,0,0]=4 9798 B17R1.7823 CSCCOCC(C)COCc1ccccc1 34a_200011216033_100000212216 [0,2,0,0,0,0|2,0,0]=4 9799 B17R1.7823 CSCCOCC(C)COCc1ccccc1 7a_100000230434_100011216253 [0,2,0,0,0,0|2,0,0]=4 9800 B17R1.7823 CSCCOCC(C)COCc1ccccc1 7a_200011216033_100000212216 [0,2,0,0,0,0|2,0,0]=4 9801 B17R1.7823 NCCCOCC(=O)OCCc1ccccc1 34a_100000182051_200000077782 [0,2,0,0,0,0|1,0,1]=4 9802 B17R1.7823 O=C(COCCCBr)OCCc1ccccc1 34a_100011217188_200000077782 [0,2,0,0,0,0|1,0,1]=4 9803 B17R1.7823 O=C(COCCCCl)OCCc1ccccc1 34a_100000230001_200000077782 [0,2,0,0,0,0|1,0,1]=4 9804 B17R1.7823 O=C(COCCCF)OCCc1ccccc1 34a_100000759539_200000077782 [0,2,0,0,0,0|1,0,1]=4 9805 B17R1.8944 C#CCOCC(C)OCCc1ccccc1Br 34a_100011025554_100012161201 [0,2,0,0,0,0|0,0,2]=4 9806 B17R1.8944 C#CCOCC(C)OCCc1ccccc1Br 7a_100011025554_100012161201 [0,2,0,0,0,0|0,0,2]=4 9807 B17R1.8944 C#CCOCC(C)OCCc1ccccc1C 34a_100011025554_100011713688 [0,2,0,0,0,0|0,0,2]=4 9808 B17R1.8944 C#CCOCC(C)OCCc1ccccc1C 7a_100011025554_100011713688 [0,2,0,0,0,0|0,0,2]=4 9809 B17R1.8944 C#CCOCC(C)OCCc1ccccc1Cl 34a_100011025554_100011713703 [0,2,0,0,0,0|0,0,2]=4 9810 B17R1.8944 C#CCOCC(C)OCCc1ccccc1Cl 7a_100011025554_100011713703 [0,2,0,0,0,0|0,0,2]=4 9811 B17R1.8944 C#CCOCC(C)OCCc1ccccc1F 34a_100011025554_100000720011 [0,2,0,0,0,0|0,0,2]=4 9812 B17R1.8944 C#CCOCC(C)OCCc1ccccc1F 7a_100011025554_100000720011 [0,2,0,0,0,0|0,0,2]=4 9813 B17R1.8944 C#CCOCC(C)OCCc1ccccc1O 34a_100011025554_100000722297 [0,2,0,0,0,0|0,0,2]=4 9814 B17R1.8944 C#CCOCC(C)OCCc1ccccc1O 7a_100011025554_100000722297 [0,2,0,0,0,0|0,0,2]=4 9815 B17R1.8944 CCC#CCC(C)OCCc1ccccc1Br 34a_200000035118_100012161201 [0,2,0,0,0,0|1,0,1]=4 9816 B17R1.8944 CCC#CCC(C)OCCc1ccccc1Br 7a_200000035118_100012161201 [0,2,0,0,0,0|1,0,1]=4 9817 B17R1.8944 CCC#CCC(C)OCCc1ccccc1C 34a_200000035118_100011713688 [0,2,0,0,0,0|1,0,1]=4 9818 B17R1.8944 CCC#CCC(C)OCCc1ccccc1C 7a_200000035118_100011713688 [0,2,0,0,0,0|1,0,1]=4 9819 B17R1.8944 CCC#CCC(C)OCCc1ccccc1Cl 34a_200000035118_100011713703 [0,2,0,0,0,0|1,0,1]=4 9820 B17R1.8944 CCC#CCC(C)OCCc1ccccc1Cl 7a_200000035118_100011713703 [0,2,0,0,0,0|1,0,1]=4 9821 B17R1.8944 CCC#CCC(C)OCCc1ccccc1F 34a_200000035118_100000720011 [0,2,0,0,0,0|1,0,1]=4 9822 B17R1.8944 CCC#CCC(C)OCCc1ccccc1F 7a_200000035118_100000720011 [0,2,0,0,0,0|1,0,1]=4 9823 B17R1.8944 CCC#CCC(C)OCCc1ccccc1O 34a_200000035118_100000722297 [0,2,0,0,0,0|1,0,1]=4 9824 B17R1.8944 CCC#CCC(C)OCCc1ccccc1O 7a_200000035118_100000722297 [0,2,0,0,0,0|1,0,1]=4 9825 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 2230a_100000211957_100012161201 [0,2,0,0,0,0|2,0,0]=4 9826 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 2230a_100000747383_200011218191 [0,2,0,0,0,0|2,0,0]=4 9827 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 270004a_100000747383_100000211708 [0,2,0,0,0,0|2,0,0]=4 9828 B17R1.8944 CCCCCC(C)NCCc1ccccc1Br 34a_100000747383_200011218191 [0,2,0,0,0,0|2,0,0]=4 9829 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 2230a_100000211957_100011713688 [0,2,0,0,0,0|2,0,0]=4 9830 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 2230a_100000685071_200011218191 [0,2,0,0,0,0|2,0,0]=4 9831 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 270004a_100000685071_100000211708 [0,2,0,0,0,0|2,0,0]=4 9832 B17R1.8944 CCCCCC(C)NCCc1ccccc1C 34a_100000685071_200011218191 [0,2,0,0,0,0|2,0,0]=4 9833 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 2230a_100000211957_100011713703 [0,2,0,0,0,0|2,0,0]=4 9834 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 2230a_100011207228_200011218191 [0,2,0,0,0,0|2,0,0]=4 9835 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 270004a_100000211957_200011713468 [0,2,0,0,0,0|2,0,0]=4 9836 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000211708 [0,2,0,0,0,0|2,0,0]=4 9837 B17R1.8944 CCCCCC(C)NCCc1ccccc1Cl 34a_100011207228_200011218191 [0,2,0,0,0,0|2,0,0]=4 9838 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 2230a_100000185272_200011218191 [0,2,0,0,0,0|2,0,0]=4 9839 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 2230a_100000211957_100011713696 [0,2,0,0,0,0|2,0,0]=4 9840 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 270004a_100000185272_100000211708 [0,2,0,0,0,0|2,0,0]=4 9841 B17R1.8944 CCCCCC(C)NCCc1ccccc1F 34a_100000185272_200011218191 [0,2,0,0,0,0|2,0,0]=4 9842 B17R1.8944 CCCCCC(C)NCCc1ccccc1O 270004a_100011207237_100000211708 [0,2,0,0,0,0|2,0,0]=4 9843 B17R1.8944 CCCCCC(C)NCCc1ccccc1O 34a_100011207237_200011218191 [0,2,0,0,0,0|2,0,0]=4 9844 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 34a_100000731337_200011218191 [0,2,0,0,0,0|1,0,0]=3 9845 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 34a_100011215632_100012161201 [0,2,0,0,0,0|1,0,0]=3 9846 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 7a_100000731337_200011218191 [0,2,0,0,0,0|1,0,0]=3 9847 B17R1.8944 CCCCCC(C)OCCc1ccccc1Br 7a_100011215632_100012161201 [0,2,0,0,0,0|1,0,0]=3 9848 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 34a_100011215632_100011713688 [0,2,0,0,0,0|1,0,0]=3 9849 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 34a_100011220023_200011218191 [0,2,0,0,0,0|1,0,0]=3 9850 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 7a_100011215632_100011713688 [0,2,0,0,0,0|1,0,0]=3 9851 B17R1.8944 CCCCCC(C)OCCc1ccccc1C 7a_100011220023_200011218191 [0,2,0,0,0,0|1,0,0]=3 9852 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 34a_100011215284_200011218191 [0,2,0,0,0,0|1,0,0]=3 9853 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 34a_100011215632_100011713703 [0,2,0,0,0,0|1,0,0]=3 9854 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 7a_100011215284_200011218191 [0,2,0,0,0,0|1,0,0]=3 9855 B17R1.8944 CCCCCC(C)OCCc1ccccc1Cl 7a_100011215632_100011713703 [0,2,0,0,0,0|1,0,0]=3 9856 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 34a_100000753711_200011218191 [0,2,0,0,0,0|1,0,0]=3 9857 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 34a_100011215632_100000720011 [0,2,0,0,0,0|1,0,0]=3 9858 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 7a_100000753711_200011218191 [0,2,0,0,0,0|1,0,0]=3 9859 B17R1.8944 CCCCCC(C)OCCc1ccccc1F 7a_100011215632_100000720011 [0,2,0,0,0,0|1,0,0]=3 9860 B17R1.8944 CCCCCC(C)OCCc1ccccc1I 34a_100010255290_200011218191 [0,2,0,0,0,0|1,0,0]=3 9861 B17R1.8944 CCCCCC(C)OCCc1ccccc1I 7a_100010255290_200011218191 [0,2,0,0,0,0|1,0,0]=3 9862 B17R1.8944 CCCCCC(C)OCCc1ccccc1N 34a_100011215289_200011218191 [0,2,0,0,0,0|1,0,0]=3 9863 B17R1.8944 CCCCCC(C)OCCc1ccccc1O 34a_100011215632_100000722297 [0,2,0,0,0,0|1,0,0]=3 9864 B17R1.8944 CCCCCC(C)OCCc1ccccc1O 7a_100011215632_100000722297 [0,2,0,0,0,0|1,0,0]=3 9865 B17R1.8944 CCCCCC(C)OCCc1ncccc1C 34a_100011997706_200011218191 [0,2,0,0,0,0|2,0,0]=4 9866 B17R1.8944 CCCCCC(C)OCCc1ncccc1C 7a_100011997706_200011218191 [0,2,0,0,0,0|2,0,0]=4 9867 B17R1.8944 CCCCCC(C)SCCc1ccccc1O 62a_100000722297_200011218191 [0,2,0,0,0,0|1,1,0]=4 9868 B17R1.8944 CCCCCC(C)SCCc1ccccc1O 62a_200011218191_100000722297 [0,2,0,0,0,0|1,1,0]=4 9869 B17R1.8944 CCCSCC(C)NCCc1ccccc1Br 270004a_100000747383_100011343953 [0,2,0,0,0,0|1,1,0]=4 9870 B17R1.8944 CCCSCC(C)NCCc1ccccc1C 270004a_100000685071_100011343953 [0,2,0,0,0,0|1,1,0]=4 9871 B17R1.8944 CCCSCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011343953 [0,2,0,0,0,0|1,1,0]=4 9872 B17R1.8944 CCCSCC(C)NCCc1ccccc1F 270004a_100000185272_100011343953 [0,2,0,0,0,0|1,1,0]=4 9873 B17R1.8944 CCCSCC(C)NCCc1ccccc1O 270004a_100011207237_100011343953 [0,2,0,0,0,0|1,1,0]=4 9874 B17R1.8944 CCOCCC(C)NCCc1ccccc1Br 270004a_100000747383_200011216536 [0,2,0,0,0,0|2,0,0]=4 9875 B17R1.8944 CCOCCC(C)NCCc1ccccc1C 270004a_100000685071_200011216536 [0,2,0,0,0,0|2,0,0]=4 9876 B17R1.8944 CCOCCC(C)NCCc1ccccc1Cl 270004a_100011207228_200011216536 [0,2,0,0,0,0|2,0,0]=4 9877 B17R1.8944 CCOCCC(C)NCCc1ccccc1F 270004a_100000185272_200011216536 [0,2,0,0,0,0|2,0,0]=4 9878 B17R1.8944 CCOCCC(C)NCCc1ccccc1O 270004a_100011207237_200011216536 [0,2,0,0,0,0|2,0,0]=4 9879 B17R1.8944 COCCCC(C)OCCc1ccccc1Br 34a_200011539412_100012161201 [0,2,0,0,0,0|1,0,0]=3 9880 B17R1.8944 COCCCC(C)OCCc1ccccc1Br 7a_200011539412_100012161201 [0,2,0,0,0,0|1,0,0]=3 9881 B17R1.8944 COCCCC(C)OCCc1ccccc1C 34a_200011539412_100011713688 [0,2,0,0,0,0|1,0,0]=3 9882 B17R1.8944 COCCCC(C)OCCc1ccccc1C 7a_200011539412_100011713688 [0,2,0,0,0,0|1,0,0]=3 9883 B17R1.8944 COCCCC(C)OCCc1ccccc1Cl 34a_200011539412_100011713703 [0,2,0,0,0,0|1,0,0]=3 9884 B17R1.8944 COCCCC(C)OCCc1ccccc1Cl 7a_200011539412_100011713703 [0,2,0,0,0,0|1,0,0]=3 9885 B17R1.8944 COCCCC(C)OCCc1ccccc1F 34a_200011539412_100000720011 [0,2,0,0,0,0|1,0,0]=3 9886 B17R1.8944 COCCCC(C)OCCc1ccccc1F 7a_200011539412_100000720011 [0,2,0,0,0,0|1,0,0]=3 9887 B17R1.8944 COCCCC(C)OCCc1ccccc1O 34a_200011539412_100000722297 [0,2,0,0,0,0|1,0,0]=3 9888 B17R1.8944 COCCCC(C)OCCc1ccccc1O 7a_200011539412_100000722297 [0,2,0,0,0,0|1,0,0]=3 9889 B17R1.8944 CSCCCC(C)NCCc1ccccc1Br 270004a_100000747383_100011399439 [0,2,0,0,0,0|2,0,0]=4 9890 B17R1.8944 CSCCCC(C)NCCc1ccccc1C 270004a_100000685071_100011399439 [0,2,0,0,0,0|2,0,0]=4 9891 B17R1.8944 CSCCCC(C)NCCc1ccccc1Cl 270004a_100011207228_100011399439 [0,2,0,0,0,0|2,0,0]=4 9892 B17R1.8944 CSCCCC(C)NCCc1ccccc1F 270004a_100000185272_100011399439 [0,2,0,0,0,0|2,0,0]=4 9893 B17R1.8944 CSCCCC(C)NCCc1ccccc1O 270004a_100011207237_100011399439 [0,2,0,0,0,0|2,0,0]=4 9894 B17R1.16611 C=C(Br)CCOC(C)CCCc1ccccc1 34a_100009813270_200010759516 [0,2,0,0,0,0|1,0,1]=4 9895 B17R1.16611 C=C(C)CCOC(C)CCCc1ccccc1 34a_100000764851_200010759516 [0,2,0,0,0,0|1,0,0]=3 9896 B17R1.16611 C=C(C)CCOC(C)COCc1ccccc1 34a_100000764311_100000730704 [0,2,0,0,0,0|2,0,0]=4 9897 B17R1.16611 C=C(C)CCOC(C)COCc1ccccc1 7a_100000764311_100000730704 [0,2,0,0,0,0|2,0,0]=4 9898 B17R1.16611 CC(=CCCC(C)OCCc1ccccc1)C 34a_100102619829_100000765856 [0,2,0,0,0,0|1,0,1]=4 9899 B17R1.16611 CC(=CCCC(C)OCCc1ccccc1)C 7a_100102619829_100000765856 [0,2,0,0,0,0|1,0,1]=4 9900 B17R1.16611 CC(=CCOC(C)CCCc1ccccc1)C 34a_100000753907_200010759516 [0,2,0,0,0,0|1,0,1]=4 9901 B17R1.16611 CC(=O)CCOC(C)CCCc1ccccc1 34a_100000759926_200010759516 [0,2,0,0,0,0|1,0,0]=3 9902 B17R1.16611 CC(=O)CCOC(C)CCCc1ccccc1 7a_100000759926_200010759516 [0,2,0,0,0,0|1,0,0]=3 9903 B17R1.16611 CC(=O)CCOC(C)COCc1ccccc1 7a_100000764311_100000053229 [0,2,0,0,0,0|2,0,0]=4 9904 B17R1.16611 CC(=O)CCSC(C)CCCc1ccccc1 62a_100000053229_200010759516 [0,2,0,0,0,0|1,1,0]=4 9905 B17R1.16611 CC(=O)CCSC(C)CCCc1ccccc1 62a_200010759516_100000053229 [0,2,0,0,0,0|1,1,0]=4 9906 B17R1.16611 CC(Br)CCOC(C)CCCc1ccccc1 34a_100009893172_200010759516 [0,2,0,0,0,0|1,0,0]=3 9907 B17R1.16611 CC(Br)COCC(=O)OCCc1ccccc1 34a_100012180447_200000077782 [0,2,0,0,0,0|1,0,1]=4 9908 B17R1.16611 CC(Br)COCC(C)COCc1ccccc1 34a_100012180447_100011216253 [0,2,0,0,0,0|2,0,0]=4 9909 B17R1.16611 CC(C)CCCC(C)NCCc1ccccc1 2230a_100000210607_100000765856 [0,2,0,0,0,0|2,0,0]=4 9910 B17R1.16611 CC(C)CCCC(C)NCCc1ccccc1 270004a_100000106460_100000753411 [0,2,0,0,0,0|2,0,0]=4 9911 B17R1.16611 CC(C)CCCC(C)OCCc1ccccc1 34a_200011218570_100000765856 [0,2,0,0,0,0|1,0,0]=3 9912 B17R1.16611 CC(C)CCCC(C)OCCc1ccccc1 7a_200011218570_100000765856 [0,2,0,0,0,0|1,0,0]=3 9913 B17R1.16611 CC(C)CCCC(C)OCCc1ccccn1 7a_200011218570_100015183660 [0,2,0,0,0,0|2,0,0]=4 9914 B17R1.16611 CC(C)CCCC(C)OCCc1cccnc1 7a_200011218570_200011713674 [0,2,0,0,0,0|2,0,0]=4 9915 B17R1.16611 CC(C)CCCC(C)OCCc1ccncc1 7a_200011218570_100000723409 [0,2,0,0,0,0|2,0,0]=4 9916 B17R1.16611 CC(C)CCOC(C)CCCc1ccccc1 34a_100000210254_200010759516 [0,2,0,0,0,0|1,0,0]=3 9917 B17R1.16611 CC(C)CCOC(C)CCCc1ccccc1 7a_100000210254_200010759516 [0,2,0,0,0,0|1,0,0]=3 9918 B17R1.16611 CC(C)CCOC(C)COCc1ccccc1 34a_100000764311_100000210312 [0,2,0,0,0,0|2,0,0]=4 9919 B17R1.16611 CC(C)CCOC(C)COCc1ccccc1 7a_100000764311_100000210626 [0,2,0,0,0,0|2,0,0]=4 9920 B17R1.16611 CC(C)COCC(=O)OCCc1ccccc1 34a_100000210257_200000077782 [0,2,0,0,0,0|1,0,1]=4 9921 B17R1.16611 CC(C)COCC(C)CNCc1ccccc1 34a_100015184949_100000210624 [0,2,0,0,0,0|2,0,0]=4 9922 B17R1.16611 CC(C)COCC(C)COCc1ccccc1 34a_100000210257_100011216253 [0,2,0,0,0,0|2,0,0]=4 9923 B17R1.16611 CC(C)COCC(C)COCc1ccccc1 34a_200011216033_100000210624 [0,2,0,0,0,0|2,0,0]=4 9924 B17R1.16611 CC(C)COCC(C)COCc1ccccc1 7a_200011216033_100000210760 [0,2,0,0,0,0|2,0,0]=4 9925 B17R1.16611 CC(C)OCOC(C)COCc1ccccc1 34a_100000764311_100000709892 [0,2,0,0,0,0|2,0,0]=4 9926 B17R1.16611 CC(C)OCSC(C)CCCc1ccccc1 62a_100000709892_200010759516 [0,2,0,0,0,0|1,1,0]=4 9927 B17R1.16611 CC(C)OCSC(C)CCCc1ccccc1 62a_200010759516_100000709892 [0,2,0,0,0,0|1,1,0]=4 9928 B17R1.16611 CC(CCCC(=O)[O-])OCCc1ccccc1 7a_100000761597_100000765856 [0,2,0,0,0,0|1,0,1]=4 9929 B17R1.16611 CC(CCCc1ccccc1)OCCC(=O)N 34a_100000757172_200010759516 [0,2,0,0,0,0|1,0,1]=4 9930 B17R1.16611 CC(CCCc1ccccc1)OCCC(=O)N 7a_100000757172_200010759516 [0,2,0,0,0,0|1,0,1]=4 9931 B17R1.16611 CC(CCCc1ccccc1)OCCC(F)F 34a_100103093639_200010759516 [0,2,0,0,0,0|1,0,0]=3 9932 B17R1.16611 CC(CCCc1ccccc1)OCC[C@@H](C)N 34a_100000706166_200010759516 [0,2,0,0,0,0|1,0,0]=3 9933 B17R1.16611 CC(CCCc1ccccc1)SCCN(C)C 62a_200010759516_100000755713 [0,2,0,0,0,0|1,1,0]=4 9934 B17R1.16611 CC(CCOC(C)C)NCCc1ccccc1 270004a_100000106460_200011219172 [0,2,0,0,0,0|2,0,0]=4 9935 B17R1.16611 CC(CNCc1ccccc1)COC[C@@H](C)O 34a_100015184949_100009817552 [0,2,0,0,0,0|2,0,0]=4 9936 B17R1.16611 CC(COCc1ccccc1)COC[C@@H](C)Cl 34a_100016084084_100011216253 [0,2,0,0,0,0|2,0,0]=4 9937 B17R1.16611 CC(COCc1ccccc1)COC[C@@H](C)N 34a_100000737577_100011216253 [0,2,0,0,0,0|2,0,0]=4 9938 B17R1.16611 CC(COCc1ccccc1)COC[C@@H](C)O 34a_200011216033_100009817552 [0,2,0,0,0,0|2,0,0]=4 9939 B17R1.16611 CC(COCc1ccccc1)COC[C@@H](C)O 7a_200011216033_100009817552 [0,2,0,0,0,0|2,0,0]=4 9940 B17R1.16611 CC(COCc1ccccc1)OCCN(C)C 7a_100000764311_100000755713 [0,2,0,0,0,0|2,0,0]=4 9941 B17R1.16611 CC(F)COCC(=O)OCCc1ccccc1 34a_100015925927_200000077782 [0,2,0,0,0,0|1,0,1]=4 9942 B17R1.16611 CC(F)COCC(C)COCc1ccccc1 34a_100015925927_100011216253 [0,2,0,0,0,0|2,0,0]=4 9943 B17R1.16611 CC(O)CCNC(C)CCCc1ccccc1 2230a_200000755665_200010759516 [0,2,0,0,0,0|2,0,0]=4 9944 B17R1.16611 CC(O)CCOC(C)COCc1ccccc1 34a_100000764311_100012276601 [0,2,0,0,0,0|2,0,0]=4 9945 B17R1.16611 CC(O)CCOC(C)COCc1ccccc1 7a_100000764311_100012276601 [0,2,0,0,0,0|2,0,0]=4 9946 B17R1.16611 CC(O)CCSC(C)CCCc1ccccc1 62a_100012276601_200010759516 [0,2,0,0,0,0|1,1,0]=4 9947 B17R1.16611 CC(O)CCSC(C)CCCc1ccccc1 62a_200010759516_100012276601 [0,2,0,0,0,0|1,1,0]=4 9948 B17R1.16611 CC(O)COCC(C)CNCc1ccccc1 34a_100015184949_100011218427 [0,2,0,0,0,0|2,0,0]=4 9949 B17R1.16611 CC(O)COCC(C)COCc1ccccc1 34a_200011216033_100011218427 [0,2,0,0,0,0|2,0,0]=4 9950 B17R1.16611 CC(O)COCC(C)COCc1ccccc1 7a_200011216033_100011218427 [0,2,0,0,0,0|2,0,0]=4 9951 B17R1.16611 C[C@@H](Cl)COCC(=O)OCCc1ccccc1 34a_100016084084_200000077782 [0,2,0,0,0,0|1,0,1]=4 9952 B17R1.16611 C[C@@H](N)COCC(=O)OCCc1ccccc1 34a_100000737577_200000077782 [0,2,0,0,0,0|1,0,1]=4 9953 B17R1.26833 C=CC(C)COC(C)CCCc1ccccc1 34a_100011215527_200010759516 [0,2,0,0,0,0|1,0,0]=3 9954 B17R1.26833 C=CC(C)COC(C)CCCc1ccccc1 7a_100011215527_200010759516 [0,2,0,0,0,0|1,0,0]=3 9955 B17R1.26833 C=C[C@H](N)COC(C)CCCc1ccccc1 34a_100016989147_200010759516 [0,2,0,0,0,0|1,0,1]=4 9956 B17R1.26833 CC(CCCc1ccccc1)NC[C@@H](F)CO 34a_100015665980_200010759516 [0,2,0,0,0,0|2,0,0]=4 9957 B17R1.26833 CC(CCCc1ccccc1)NC[C@H](O)CO 2230a_100020644852_200010759516 [0,2,0,0,0,0|2,0,0]=4 9958 B17R1.26833 CC(CCCc1ccccc1)OCC(Cl)CCl 34a_100000033668_200010759516 [0,2,0,0,0,0|1,0,0]=3 9959 B17R1.26833 CC(CCCc1ccccc1)OC[C@H](F)CN 34a_100015665980_200010759516 [0,2,0,0,0,0|1,0,0]=3 9960 B17R1.26833 CC(CCCc1ccccc1)SCC(O)CO 62a_100011219619_200010759516 [0,2,0,0,0,0|1,1,0]=4 9961 B17R1.26833 CC(CCCc1ccccc1)SCC(O)CO 62a_200010759516_100011219619 [0,2,0,0,0,0|1,1,0]=4 9962 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](C)CO 62a_100000059175_200010759516 [0,2,0,0,0,0|1,1,0]=4 9963 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](C)CO 62a_200010759516_100000059175 [0,2,0,0,0,0|1,1,0]=4 9964 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](O)CF 62a_100015614560_200010759516 [0,2,0,0,0,0|1,1,0]=4 9965 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](O)CF 62a_200010759516_100015614560 [0,2,0,0,0,0|1,1,0]=4 9966 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](O)CO 62a_100009815848_200010759516 [0,2,0,0,0,0|1,1,0]=4 9967 B17R1.26833 CC(CCCc1ccccc1)SC[C@@H](O)CO 62a_200010759516_100009815848 [0,2,0,0,0,0|1,1,0]=4 9968 B17R1.26833 CC(CN)COC(C)CCCc1ccccc1 34a_100000744482_200010759516 [0,2,0,0,0,0|1,0,0]=3 9969 B17R1.26833 CC(CO)CNC(C)CCCc1ccccc1 34a_100000744482_200010759516 [0,2,0,0,0,0|2,0,0]=4 9970 B17R1.26833 CC(COCc1ccccc1)OCC(O)CO 34a_100000764311_100011219619 [0,2,0,0,0,0|2,0,0]=4 9971 B17R1.26833 CC(COCc1ccccc1)OCC(O)CO 7a_100000764311_100011219619 [0,2,0,0,0,0|2,0,0]=4 9972 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](C)CO 34a_100000764311_100000059175 [0,2,0,0,0,0|2,0,0]=4 9973 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](C)CO 7a_100000764311_100000059175 [0,2,0,0,0,0|2,0,0]=4 9974 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](O)CF 34a_100000764311_100015614560 [0,2,0,0,0,0|2,0,0]=4 9975 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](O)CF 7a_100000764311_100015614560 [0,2,0,0,0,0|2,0,0]=4 9976 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](O)CO 34a_100000764311_100009815848 [0,2,0,0,0,0|2,0,0]=4 9977 B17R1.26833 CC(COCc1ccccc1)OC[C@@H](O)CO 7a_100000764311_100009815848 [0,2,0,0,0,0|2,0,0]=4 9978 B17R1.26833 CCC(=O)COC(C)CCCc1ccccc1 34a_100000725409_200010759516 [0,2,0,0,0,0|1,0,0]=3 9979 B17R1.26833 CCC(=O)COC(C)COCc1ccccc1 7a_100000764311_100000747405 [0,2,0,0,0,0|2,0,0]=4 9980 B17R1.26833 CCC(=O)CSC(C)CCCc1ccccc1 62a_100000747405_200010759516 [0,2,0,0,0,0|1,1,0]=4 9981 B17R1.26833 CCC(=O)CSC(C)CCCc1ccccc1 62a_200010759516_100000747405 [0,2,0,0,0,0|1,1,0]=4 9982 B17R1.26833 CCC(C)CCC(C)OCCc1ccccc1 7a_200011216552_100000765856 [0,2,0,0,0,0|1,0,0]=3 9983 B17R1.26833 CCC(C)CCC(C)OCCc1ccccn1 7a_200011216552_100015183660 [0,2,0,0,0,0|2,0,0]=4 9984 B17R1.26833 CCC(C)CCC(C)OCCc1cccnc1 7a_200011216552_200011713674 [0,2,0,0,0,0|2,0,0]=4 9985 B17R1.26833 CCC(C)CCC(C)OCCc1ccncc1 7a_200011216552_100000723409 [0,2,0,0,0,0|2,0,0]=4 9986 B17R1.26833 CCC(C)CNC(C)CCCc1ccccc1 2230a_100020588543_200010759516 [0,2,0,0,0,0|2,0,0]=4 9987 B17R1.26833 CCC(C)COC(C)COCc1ccccc1 34a_100000764311_100000748023 [0,2,0,0,0,0|2,0,0]=4 9988 B17R1.26833 CCC(C)COC(C)COCc1ccccc1 7a_100000764311_100000748023 [0,2,0,0,0,0|2,0,0]=4 9989 B17R1.26833 CCC(C)OCC(=O)OCCc1ccccc1 7a_100000210228_200000077782 [0,2,0,0,0,0|1,0,1]=4 9990 B17R1.26833 CCC(C)OCC(C)CNCc1ccccc1 34a_100015184949_100011215416 [0,2,0,0,0,0|2,0,0]=4 9991 B17R1.26833 CCC(C)OCC(C)COCc1ccccc1 34a_200011216033_100011215416 [0,2,0,0,0,0|2,0,0]=4 9992 B17R1.26833 CCC(C)OCC(C)COCc1ccccc1 7a_100000210228_100011216253 [0,2,0,0,0,0|2,0,0]=4 9993 B17R1.26833 CCC(C)OCC(C)COCc1ccccc1 7a_200011216033_100000758301 [0,2,0,0,0,0|2,0,0]=4 9994 B17R1.26833 CCC(O)CNC(C)CCCc1ccccc1 2230a_100011218483_200010759516 [0,2,0,0,0,0|2,0,0]=4 9995 B17R1.26833 CCC(O)COC(C)COCc1ccccc1 34a_100000764311_100011218378 [0,2,0,0,0,0|2,0,0]=4 9996 B17R1.26833 CCC(O)COC(C)COCc1ccccc1 7a_100000764311_100011218378 [0,2,0,0,0,0|2,0,0]=4 9997 B17R1.26833 CCC(O)CSC(C)CCCc1ccccc1 62a_100011218378_200010759516 [0,2,0,0,0,0|1,1,0]=4 9998 B17R1.26833 CCC(O)CSC(C)CCCc1ccccc1 62a_200010759516_100011218378 [0,2,0,0,0,0|1,1,0]=4 9999 B17R1.26833 CC[C@H](C)COC(C)CCCc1ccccc1 7a_100009816381_200010759516 [0,2,0,0,0,0|1,0,0]=3 10000 B17R1.26833 CC[C@H](C)COC(C)COCc1ccccc1 34a_100000764311_100009816398 [0,2,0,0,0,0|2,0,0]=4 10001 B17R1.26833 CC[C@H](C)COC(C)COCc1ccccc1 7a_100000764311_100009816398 [0,2,0,0,0,0|2,0,0]=4 10002 B17R1.26833 CNC(=O)COC(C)CCCc1ccccc1 34a_100000750040_200010759516 [0,2,0,0,0,0|1,0,1]=4 10003 B17R1.26833 COC(C)COC(C)CCCc1ccccc1 34a_100000690652_200010759516 [0,2,0,0,0,0|1,0,0]=3 10004 B17R1.26833 CO[C@H](C)CNC(C)CCCc1ccccc1 2230a_100020591295_200010759516 [0,2,0,0,0,0|2,0,0]=4 10005 B17R1.29550 CCCOCC(C)(C)COCc1ccccc1 7a_100012877123_100000210303 [0,2,0,0,0,0|2,0,0]=4 10006 B17R1.1575 CC(CCCCl)OCCc1ccccc1C#N 34a_200000718107_200013032965 [0,2,0,0,0,0|2,0,0]=4 10007 B17R1.1575 CC(CCCCl)OCCc1ccccc1C#N 7a_200000718107_200013032965 [0,2,0,0,0,0|2,0,0]=4 10008 B17R1.1575 CC(CCCCl)OCCc1ccccc1C=O 34a_200000718107_100010186698 [0,2,0,0,0,0|2,0,0]=4 10009 B17R1.1575 CC(CCCCl)OCCc1ccccc1C=O 7a_200000718107_100010186698 [0,2,0,0,0,0|2,0,0]=4 10010 B17R1.1575 CCC#CC(C)OCCc1ccccc1C#N 34a_100000033903_200013032965 [0,2,0,0,0,0|1,0,1]=4 10011 B17R1.1575 CCC#CC(C)OCCc1ccccc1C#N 7a_100000033903_200013032965 [0,2,0,0,0,0|1,0,1]=4 10012 B17R1.1575 CCC#CC(C)OCCc1ccccc1C=O 34a_100000033903_100010186698 [0,2,0,0,0,0|1,0,1]=4 10013 B17R1.1575 CCC#CC(C)OCCc1ccccc1C=O 7a_100000033903_100010186698 [0,2,0,0,0,0|1,0,1]=4 10014 B17R1.1575 CCC#CC(C)OCCc1ccccc1OC 34a_100000033903_100011713687 [0,2,0,0,0,0|1,0,1]=4 10015 B17R1.1575 CCC#CC(C)OCCc1ccccc1OC 7a_100000033903_100011713687 [0,2,0,0,0,0|1,0,1]=4 10016 B17R1.1575 CCCCC(C)NCCc1ccccc1C#N 2230a_100000126638_200013032965 [0,2,0,0,0,0|2,0,0]=4 10017 B17R1.1575 CCCCC(C)NCCc1ccccc1C=O 2230a_100000126638_100010186698 [0,2,0,0,0,0|2,0,0]=4 10018 B17R1.1575 CCCCC(C)NCCc1ccccc1CC 2230a_100011663701_200011215066 [0,2,0,0,0,0|2,0,0]=4 10019 B17R1.1575 CCCCC(C)NCCc1ccccc1CC 270004a_100011663701_100000210087 [0,2,0,0,0,0|2,0,0]=4 10020 B17R1.1575 CCCCC(C)NCCc1ccccc1CC 34a_100011663701_200011215066 [0,2,0,0,0,0|2,0,0]=4 10021 B17R1.1575 CCCCC(C)NCCc1ccccc1OC 2230a_100000126638_100011713687 [0,2,0,0,0,0|2,0,0]=4 10022 B17R1.1575 CCCCC(C)NCCc1ccccc1OC 2230a_100000211851_200011215066 [0,2,0,0,0,0|2,0,0]=4 10023 B17R1.1575 CCCCC(C)NCCc1ccccc1OC 270004a_100000126638_100011713418 [0,2,0,0,0,0|2,0,0]=4 10024 B17R1.1575 CCCCC(C)NCCc1ccccc1OC 270004a_100000211851_100000210087 [0,2,0,0,0,0|2,0,0]=4 10025 B17R1.1575 CCCCC(C)NCCc1ccccc1OC 34a_100000211851_200011215066 [0,2,0,0,0,0|2,0,0]=4 10026 B17R1.1575 CCCCC(C)NCCc1ccccc1[Pd]Cl 2230a_106741704370_200011215066 [0,2,0,0,0,0|2,0,0]=4 10027 B17R1.1575 CCCCC(C)NCCc1ccccc1[Pd]Cl 270004a_106741704370_100000210087 [0,2,0,0,0,0|2,0,0]=4 10028 B17R1.1575 CCCCC(C)NCCc1ccccc1[Pd]Cl 34a_106741704370_200011215066 [0,2,0,0,0,0|2,0,0]=4 10029 B17R1.1575 CCCCC(C)NCCc1ccccc1[Pd]Cl 7a_106741704370_200011215066 [0,2,0,0,0,0|2,0,0]=4 10030 B17R1.1575 CCCCC(C)OCCc1ccccc1C#N 34a_100000687866_200013032965 [0,2,0,0,0,0|1,0,0]=3 10031 B17R1.1575 CCCCC(C)OCCc1ccccc1C#N 7a_100000687866_200013032965 [0,2,0,0,0,0|1,0,0]=3 10032 B17R1.1575 CCCCC(C)OCCc1ccccc1C=O 34a_100000687866_100010186698 [0,2,0,0,0,0|1,0,0]=3 10033 B17R1.1575 CCCCC(C)OCCc1ccccc1C=O 7a_100000687866_100010186698 [0,2,0,0,0,0|1,0,0]=3 10034 B17R1.1575 CCCCC(C)OCCc1ccccc1OC 34a_100000687866_100011713687 [0,2,0,0,0,0|1,0,0]=3 10035 B17R1.1575 CCCCC(C)OCCc1ccccc1OC 34a_100011218620_200011215066 [0,2,0,0,0,0|1,0,0]=3 10036 B17R1.1575 CCCCC(C)OCCc1ccccc1OC 7a_100000687866_100011713687 [0,2,0,0,0,0|1,0,0]=3 10037 B17R1.1575 CCCCC(C)OCCc1ccccc1OC 7a_100011218620_200011215066 [0,2,0,0,0,0|1,0,0]=3 10038 B17R1.1575 CCCCC(C)SCCc1ccccc1C#N 62a_200011215066_200013032965 [0,2,0,0,0,0|1,1,0]=4 10039 B17R1.1575 CCCCC(C)SCCc1ccccc1C=O 62a_100010186698_200011215066 [0,2,0,0,0,0|1,1,0]=4 10040 B17R1.1575 CCCCC(C)SCCc1ccccc1C=O 62a_200011215066_100010186698 [0,2,0,0,0,0|1,1,0]=4 10041 B17R1.1575 CCCCC(C)SCCc1ccccc1OC 62a_100011713687_200011215066 [0,2,0,0,0,0|1,1,0]=4 10042 B17R1.1575 CCCCC(C)SCCc1ccccc1OC 62a_200011215066_100011713687 [0,2,0,0,0,0|1,1,0]=4 10043 B17R1.1575 CCCOC(C)CNCc1ccccc1C#N 2230a_100015185124_100000181865 [0,2,0,0,0,0|2,0,0]=4 10044 B17R1.1575 CCCOC(C)CNCc1ccccc1C#N 34a_100015185124_100000181865 [0,2,0,0,0,0|2,0,0]=4 10045 B17R1.1575 CCCOC(C)CNCc1ccccc1C=O 2230a_100015185124_200009853537 [0,2,0,0,0,0|2,0,0]=4 10046 B17R1.1575 CCCOC(C)CNCc1ccccc1C=O 34a_100015185124_200009853537 [0,2,0,0,0,0|2,0,0]=4 10047 B17R1.1575 CCCOC(C)CNCc1ccccc1CC 207a_100015185124_100011219594 [0,2,0,0,0,0|2,0,0]=4 10048 B17R1.1575 CCCOC(C)CNCc1ccccc1CC 270004a_100015185124_100011219594 [0,2,0,0,0,0|2,0,0]=4 10049 B17R1.1575 CCCOC(C)CNCc1ccccc1CO 2230a_100015185124_100009816955 [0,2,0,0,0,0|2,0,0]=4 10050 B17R1.1575 CCCOC(C)CNCc1ccccc1CO 34a_100015185124_100009816955 [0,2,0,0,0,0|2,0,0]=4 10051 B17R1.1575 CCCOC(C)CNCc1ccccc1OC 207a_100015185124_100000169842 [0,2,0,0,0,0|2,0,0]=4 10052 B17R1.1575 CCCOC(C)CNCc1ccccc1OC 2230a_100015185124_100000210004 [0,2,0,0,0,0|2,0,0]=4 10053 B17R1.1575 CCCOC(C)CNCc1ccccc1OC 270004a_100015185124_100000169842 [0,2,0,0,0,0|2,0,0]=4 10054 B17R1.1575 CCCOC(C)CNCc1ccccc1OC 34a_100015185124_100000210004 [0,2,0,0,0,0|2,0,0]=4 10055 B17R1.1575 CCCOC(C)CNCc1ccccc1SC 207a_100015185124_100011217347 [0,2,0,0,0,0|2,0,0]=4 10056 B17R1.1575 CCCOC(C)CNCc1ccccc1SC 2230a_100015185124_100000699184 [0,2,0,0,0,0|2,0,0]=4 10057 B17R1.1575 CCCOC(C)CNCc1ccccc1SC 270004a_100015185124_100011217347 [0,2,0,0,0,0|2,0,0]=4 10058 B17R1.1575 CCCOC(C)CNCc1ccccc1SC 34a_100015185124_100000699184 [0,2,0,0,0,0|2,0,0]=4 10059 B17R1.1575 CCOCC(C)OCCc1ccccc1C#N 34a_100000718985_200013032965 [0,2,0,0,0,0|2,0,0]=4 10060 B17R1.1575 CCOCC(C)OCCc1ccccc1C#N 7a_100000718985_200013032965 [0,2,0,0,0,0|2,0,0]=4 10061 B17R1.1575 CCOCC(C)OCCc1ccccc1C=O 34a_100000718985_100010186698 [0,2,0,0,0,0|2,0,0]=4 10062 B17R1.1575 CCOCC(C)OCCc1ccccc1C=O 7a_100000718985_100010186698 [0,2,0,0,0,0|2,0,0]=4 10063 B17R1.1575 CCOCC(C)OCCc1ccccc1OC 34a_100000718985_100011713687 [0,2,0,0,0,0|2,0,0]=4 10064 B17R1.1575 CCOCC(C)OCCc1ccccc1OC 7a_100000718985_100011713687 [0,2,0,0,0,0|2,0,0]=4 10065 B17R1.1575 COc1ccccc1CCOC(C)CCCCl 34a_200000718107_100011713687 [0,2,0,0,0,0|2,0,0]=4 10066 B17R1.1575 COc1ccccc1CCOC(C)CCCCl 7a_200000718107_100011713687 [0,2,0,0,0,0|2,0,0]=4 10067 B17R1.5672 CCCC(C)C(C)NCCc1ccccc1Br 270004a_100000747383_100011216282 [0,2,0,0,0,0|2,0,0]=4 10068 B17R1.5672 CCCC(C)C(C)NCCc1ccccc1C 270004a_100000685071_100011216282 [0,2,0,0,0,0|2,0,0]=4 10069 B17R1.5672 CCCC(C)C(C)NCCc1ccccc1Cl 270004a_100011207228_100011216282 [0,2,0,0,0,0|2,0,0]=4 10070 B17R1.5672 CCCC(C)C(C)NCCc1ccccc1F 270004a_100000185272_100011216282 [0,2,0,0,0,0|2,0,0]=4 10071 B17R1.5672 CCCC(C)C(C)NCCc1ccccc1O 270004a_100011207237_100011216282 [0,2,0,0,0,0|2,0,0]=4 10072 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1Br 34a_100000708338_100012161201 [0,2,0,0,0,0|1,0,0]=3 10073 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1Br 7a_100000708338_100012161201 [0,2,0,0,0,0|1,0,0]=3 10074 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1C 34a_100000708338_100011713688 [0,2,0,0,0,0|1,0,0]=3 10075 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1C 7a_100000708338_100011713688 [0,2,0,0,0,0|1,0,0]=3 10076 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1Cl 34a_100000708338_100011713703 [0,2,0,0,0,0|1,0,0]=3 10077 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1Cl 7a_100000708338_100011713703 [0,2,0,0,0,0|1,0,0]=3 10078 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1F 34a_100000708338_100000720011 [0,2,0,0,0,0|1,0,0]=3 10079 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1F 7a_100000708338_100000720011 [0,2,0,0,0,0|1,0,0]=3 10080 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1O 34a_100000708338_100000722297 [0,2,0,0,0,0|1,0,0]=3 10081 B17R1.5672 CCCC(C)C(C)OCCc1ccccc1O 7a_100000708338_100000722297 [0,2,0,0,0,0|1,0,0]=3 10082 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1Br 34a_100000731337_100000230173 [0,2,0,0,0,0|2,0,0]=4 10083 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1Br 7a_100000731337_100000230173 [0,2,0,0,0,0|2,0,0]=4 10084 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1C 34a_100011220023_100000230173 [0,2,0,0,0,0|2,0,0]=4 10085 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1C 7a_100011220023_100000230173 [0,2,0,0,0,0|2,0,0]=4 10086 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1Cl 34a_100011215284_100000230173 [0,2,0,0,0,0|2,0,0]=4 10087 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1Cl 7a_100011215284_100000230173 [0,2,0,0,0,0|2,0,0]=4 10088 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1F 34a_100000753711_100000230173 [0,2,0,0,0,0|2,0,0]=4 10089 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1F 7a_100000753711_100000230173 [0,2,0,0,0,0|2,0,0]=4 10090 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1I 34a_100010255290_100000230173 [0,2,0,0,0,0|2,0,0]=4 10091 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1I 7a_100010255290_100000230173 [0,2,0,0,0,0|2,0,0]=4 10092 B17R1.5672 CCNC(=O)C(C)OCCc1ccccc1N 34a_100011215289_100000230173 [0,2,0,0,0,0|2,0,0]=4 10093 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1Br 34a_100000731337_100011216346 [0,2,0,0,0,0|2,0,0]=4 10094 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1Br 7a_100000731337_100011216346 [0,2,0,0,0,0|2,0,0]=4 10095 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1C 34a_100011220023_100011216346 [0,2,0,0,0,0|2,0,0]=4 10096 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1C 7a_100011220023_100011216346 [0,2,0,0,0,0|2,0,0]=4 10097 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1Cl 34a_100011215284_100011216346 [0,2,0,0,0,0|2,0,0]=4 10098 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1Cl 7a_100011215284_100011216346 [0,2,0,0,0,0|2,0,0]=4 10099 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1F 34a_100000753711_100011216346 [0,2,0,0,0,0|2,0,0]=4 10100 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1F 7a_100000753711_100011216346 [0,2,0,0,0,0|2,0,0]=4 10101 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1I 34a_100010255290_100011216346 [0,2,0,0,0,0|2,0,0]=4 10102 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1I 7a_100010255290_100011216346 [0,2,0,0,0,0|2,0,0]=4 10103 B17R1.5672 CCOC(=O)C(C)OCCc1ccccc1N 34a_100011215289_100011216346 [0,2,0,0,0,0|2,0,0]=4 10104 B17R1.5672 CCOC(=O)[C@H](C)OCCc1ccccc1Br 7a_100000751109_100012161201 [0,2,0,0,0,0|2,0,0]=4 10105 B17R1.5672 CCOC(=O)[C@H](C)OCCc1ccccc1C 7a_100000751109_100011713688 [0,2,0,0,0,0|2,0,0]=4 10106 B17R1.5672 CCOC(=O)[C@H](C)OCCc1ccccc1Cl 7a_100000751109_100011713703 [0,2,0,0,0,0|2,0,0]=4 10107 B17R1.5672 CCOC(=O)[C@H](C)OCCc1ccccc1F 7a_100000751109_100000720011 [0,2,0,0,0,0|2,0,0]=4 10108 B17R1.5672 CCOC(=O)[C@H](C)OCCc1ccccc1O 7a_100000751109_100000722297 [0,2,0,0,0,0|2,0,0]=4 10109 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Br 2230a_100000747383_100011261404 [0,2,0,0,0,0|2,0,0]=4 10110 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Br 2230a_100138410893_100012161201 [0,2,0,0,0,0|2,0,0]=4 10111 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Br 270004a_100000747383_100000210476 [0,2,0,0,0,0|2,0,0]=4 10112 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Br 34a_100000747383_100011261404 [0,2,0,0,0,0|2,0,0]=4 10113 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Cl 2230a_100011207228_100011261404 [0,2,0,0,0,0|2,0,0]=4 10114 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Cl 2230a_100138410893_100011713703 [0,2,0,0,0,0|2,0,0]=4 10115 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Cl 270004a_100011207228_100000210476 [0,2,0,0,0,0|2,0,0]=4 10116 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Cl 270004a_100138410893_200011713468 [0,2,0,0,0,0|2,0,0]=4 10117 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1Cl 34a_100011207228_100011261404 [0,2,0,0,0,0|2,0,0]=4 10118 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1F 2230a_100000185272_100011261404 [0,2,0,0,0,0|2,0,0]=4 10119 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1F 2230a_100138410893_100011713696 [0,2,0,0,0,0|2,0,0]=4 10120 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1F 270004a_100000185272_100000210476 [0,2,0,0,0,0|2,0,0]=4 10121 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1F 34a_100000185272_100011261404 [0,2,0,0,0,0|2,0,0]=4 10122 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1O 270004a_100011207237_100000210476 [0,2,0,0,0,0|2,0,0]=4 10123 B17R1.11270 CC(C)CCC(C)NCCc1ccccc1O 34a_100011207237_100011261404 [0,2,0,0,0,0|2,0,0]=4 10124 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Br 34a_100000731337_100011261404 [0,2,0,0,0,0|1,0,0]=3 10125 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Br 34a_100011215350_100012161201 [0,2,0,0,0,0|1,0,0]=3 10126 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Br 7a_100011215350_100012161201 [0,2,0,0,0,0|1,0,0]=3 10127 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Cl 34a_100011215284_100011261404 [0,2,0,0,0,0|1,0,0]=3 10128 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Cl 34a_100011215350_100011713703 [0,2,0,0,0,0|1,0,0]=3 10129 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1Cl 7a_100011215350_100011713703 [0,2,0,0,0,0|1,0,0]=3 10130 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1F 34a_100000753711_100011261404 [0,2,0,0,0,0|1,0,0]=3 10131 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1F 34a_100011215350_100000720011 [0,2,0,0,0,0|1,0,0]=3 10132 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1F 7a_100011215350_100000720011 [0,2,0,0,0,0|1,0,0]=3 10133 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1I 34a_100010255290_100011261404 [0,2,0,0,0,0|1,0,0]=3 10134 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1N 34a_100011215289_100011261404 [0,2,0,0,0,0|1,0,0]=3 10135 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1O 34a_100011215350_100000722297 [0,2,0,0,0,0|1,0,0]=3 10136 B17R1.11270 CC(C)CCC(C)OCCc1ccccc1O 7a_100011215350_100000722297 [0,2,0,0,0,0|1,0,0]=3 10137 B17R1.11270 CC(C)CCC(C)SCCc1ccccc1F 62a_100011261404_100011713696 [0,2,0,0,0,0|1,1,0]=4 10138 B17R1.11270 CC(C)CCC(C)SCCc1ccccc1F 62a_100011713696_100011261404 [0,2,0,0,0,0|1,1,0]=4 10139 B17R1.11270 CC(C)CCC(C)SCCc1ccccc1O 62a_100000722297_100011261404 [0,2,0,0,0,0|1,1,0]=4 10140 B17R1.11270 CC(C)CCC(C)SCCc1ccccc1O 62a_100011261404_100000722297 [0,2,0,0,0,0|1,1,0]=4 10141 B17R1.11270 Cc1ccccc1CCNC(C)CCC(C)C 2230a_100000685071_100011261404 [0,2,0,0,0,0|2,0,0]=4 10142 B17R1.11270 Cc1ccccc1CCNC(C)CCC(C)C 2230a_100138410893_100011713688 [0,2,0,0,0,0|2,0,0]=4 10143 B17R1.11270 Cc1ccccc1CCNC(C)CCC(C)C 270004a_100000685071_100000210476 [0,2,0,0,0,0|2,0,0]=4 10144 B17R1.11270 Cc1ccccc1CCNC(C)CCC(C)C 34a_100000685071_100011261404 [0,2,0,0,0,0|2,0,0]=4 10145 B17R1.11270 Cc1ccccc1CCOC(C)CCC(C)C 34a_100011215350_100011713688 [0,2,0,0,0,0|1,0,0]=3 10146 B17R1.11270 Cc1ccccc1CCOC(C)CCC(C)C 34a_100011220023_100011261404 [0,2,0,0,0,0|1,0,0]=3 10147 B17R1.11270 Cc1ccccc1CCOC(C)CCC(C)C 7a_100011215350_100011713688 [0,2,0,0,0,0|1,0,0]=3 10148 B17R1.11270 Cc1cccnc1CCOC(C)CCC(C)C 34a_100011997706_100011261404 [0,2,0,0,0,0|2,0,0]=4 10149 B17R1.17709 C#CC(CCCC)OCCc1ccccc1Br 34a_200011217967_100012161201 [0,2,0,0,0,0|1,0,1]=4 10150 B17R1.17709 C#CC(CCCC)OCCc1ccccc1Br 7a_200011217967_100012161201 [0,2,0,0,0,0|1,0,1]=4 10151 B17R1.17709 C#CC(CCCC)OCCc1ccccc1C 34a_200011217967_100011713688 [0,2,0,0,0,0|1,0,1]=4 10152 B17R1.17709 C#CC(CCCC)OCCc1ccccc1C 7a_200011217967_100011713688 [0,2,0,0,0,0|1,0,1]=4 10153 B17R1.17709 C#CC(CCCC)OCCc1ccccc1Cl 34a_200011217967_100011713703 [0,2,0,0,0,0|1,0,1]=4 10154 B17R1.17709 C#CC(CCCC)OCCc1ccccc1Cl 7a_200011217967_100011713703 [0,2,0,0,0,0|1,0,1]=4 10155 B17R1.17709 C#CC(CCCC)OCCc1ccccc1F 34a_200011217967_100000720011 [0,2,0,0,0,0|1,0,1]=4 10156 B17R1.17709 C#CC(CCCC)OCCc1ccccc1F 7a_200011217967_100000720011 [0,2,0,0,0,0|1,0,1]=4 10157 B17R1.17709 C#CC(CCCC)OCCc1ccccc1O 34a_200011217967_100000722297 [0,2,0,0,0,0|1,0,1]=4 10158 B17R1.17709 C#CC(CCCC)OCCc1ccccc1O 7a_200011217967_100000722297 [0,2,0,0,0,0|1,0,1]=4 10159 B17R1.17709 C=CC(CCCC)OCCc1ccccc1Br 34a_200011215037_100012161201 [0,2,0,0,0,0|1,0,1]=4 10160 B17R1.17709 C=CC(CCCC)OCCc1ccccc1Br 7a_200011215037_100012161201 [0,2,0,0,0,0|1,0,1]=4 10161 B17R1.17709 C=CC(CCCC)OCCc1ccccc1C 34a_200011215037_100011713688 [0,2,0,0,0,0|1,0,1]=4 10162 B17R1.17709 C=CC(CCCC)OCCc1ccccc1C 7a_200011215037_100011713688 [0,2,0,0,0,0|1,0,1]=4 10163 B17R1.17709 C=CC(CCCC)OCCc1ccccc1Cl 34a_200011215037_100011713703 [0,2,0,0,0,0|1,0,1]=4 10164 B17R1.17709 C=CC(CCCC)OCCc1ccccc1Cl 7a_200011215037_100011713703 [0,2,0,0,0,0|1,0,1]=4 10165 B17R1.17709 C=CC(CCCC)OCCc1ccccc1F 34a_200011215037_100000720011 [0,2,0,0,0,0|1,0,1]=4 10166 B17R1.17709 C=CC(CCCC)OCCc1ccccc1F 7a_200011215037_100000720011 [0,2,0,0,0,0|1,0,1]=4 10167 B17R1.17709 C=CC(CCCC)OCCc1ccccc1O 34a_200011215037_100000722297 [0,2,0,0,0,0|1,0,1]=4 10168 B17R1.17709 C=CC(CCCC)OCCc1ccccc1O 7a_200011215037_100000722297 [0,2,0,0,0,0|1,0,1]=4 10169 B17R1.17709 CCCCC(CC)NCCc1ccccc1Br 270004a_100000747383_100000753412 [0,2,0,0,0,0|2,0,0]=4 10170 B17R1.17709 CCCCC(CC)NCCc1ccccc1Br 34a_100000747383_200011216223 [0,2,0,0,0,0|2,0,0]=4 10171 B17R1.17709 CCCCC(CC)NCCc1ccccc1C 270004a_100000685071_100000753412 [0,2,0,0,0,0|2,0,0]=4 10172 B17R1.17709 CCCCC(CC)NCCc1ccccc1C 34a_100000685071_200011216223 [0,2,0,0,0,0|2,0,0]=4 10173 B17R1.17709 CCCCC(CC)NCCc1ccccc1Cl 270004a_100011207228_100000753412 [0,2,0,0,0,0|2,0,0]=4 10174 B17R1.17709 CCCCC(CC)NCCc1ccccc1Cl 34a_100011207228_200011216223 [0,2,0,0,0,0|2,0,0]=4 10175 B17R1.17709 CCCCC(CC)NCCc1ccccc1F 270004a_100000185272_100000753412 [0,2,0,0,0,0|2,0,0]=4 10176 B17R1.17709 CCCCC(CC)NCCc1ccccc1F 34a_100000185272_200011216223 [0,2,0,0,0,0|2,0,0]=4 10177 B17R1.17709 CCCCC(CC)NCCc1ccccc1O 270004a_100011207237_100000753412 [0,2,0,0,0,0|2,0,0]=4 10178 B17R1.17709 CCCCC(CC)NCCc1ccccc1O 34a_100011207237_200011216223 [0,2,0,0,0,0|2,0,0]=4 10179 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 34a_100000731337_200011216223 [0,2,0,0,0,0|1,0,0]=3 10180 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 34a_100011215227_100012161201 [0,2,0,0,0,0|1,0,0]=3 10181 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 7a_100000731337_200011216223 [0,2,0,0,0,0|1,0,0]=3 10182 B17R1.17709 CCCCC(CC)OCCc1ccccc1Br 7a_100011215227_100012161201 [0,2,0,0,0,0|1,0,0]=3 10183 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 34a_100011215227_100011713688 [0,2,0,0,0,0|1,0,0]=3 10184 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 34a_100011220023_200011216223 [0,2,0,0,0,0|1,0,0]=3 10185 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 7a_100011215227_100011713688 [0,2,0,0,0,0|1,0,0]=3 10186 B17R1.17709 CCCCC(CC)OCCc1ccccc1C 7a_100011220023_200011216223 [0,2,0,0,0,0|1,0,0]=3 10187 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 34a_100011215227_100011713703 [0,2,0,0,0,0|1,0,0]=3 10188 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 34a_100011215284_200011216223 [0,2,0,0,0,0|1,0,0]=3 10189 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 7a_100011215227_100011713703 [0,2,0,0,0,0|1,0,0]=3 10190 B17R1.17709 CCCCC(CC)OCCc1ccccc1Cl 7a_100011215284_200011216223 [0,2,0,0,0,0|1,0,0]=3 10191 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 34a_100000753711_200011216223 [0,2,0,0,0,0|1,0,0]=3 10192 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 34a_100011215227_100000720011 [0,2,0,0,0,0|1,0,0]=3 10193 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 7a_100000753711_200011216223 [0,2,0,0,0,0|1,0,0]=3 10194 B17R1.17709 CCCCC(CC)OCCc1ccccc1F 7a_100011215227_100000720011 [0,2,0,0,0,0|1,0,0]=3 10195 B17R1.17709 CCCCC(CC)OCCc1ccccc1I 34a_100010255290_200011216223 [0,2,0,0,0,0|1,0,0]=3 10196 B17R1.17709 CCCCC(CC)OCCc1ccccc1I 7a_100010255290_200011216223 [0,2,0,0,0,0|1,0,0]=3 10197 B17R1.17709 CCCCC(CC)OCCc1ccccc1N 34a_100011215289_200011216223 [0,2,0,0,0,0|1,0,0]=3 10198 B17R1.17709 CCCCC(CC)OCCc1ccccc1O 34a_100011215227_100000722297 [0,2,0,0,0,0|1,0,0]=3 10199 B17R1.17709 CCCCC(CC)OCCc1ccccc1O 7a_100011215227_100000722297 [0,2,0,0,0,0|1,0,0]=3 10200 B17R1.17709 CCCCC(CC)OCCc1ncccc1C 34a_100011997706_200011216223 [0,2,0,0,0,0|2,0,0]=4 10201 B17R1.17709 CCCCC(CC)OCCc1ncccc1C 7a_100011997706_200011216223 [0,2,0,0,0,0|2,0,0]=4 10202 B17R1.17709 CCCCC(CC)SCCc1ccccc1O 62a_100000722297_200011216223 [0,2,0,0,0,0|1,1,0]=4 10203 B17R1.17709 CCCCC(CC)SCCc1ccccc1O 62a_200011216223_100000722297 [0,2,0,0,0,0|1,1,0]=4 10204 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Br 2230a_100011934283_100012161201 [0,2,0,0,0,0|2,0,0]=4 10205 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Br 34a_100011934283_100012161201 [0,2,0,0,0,0|2,0,0]=4 10206 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1C 2230a_100011934283_100011713688 [0,2,0,0,0,0|2,0,0]=4 10207 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1C 34a_100011934283_100011713688 [0,2,0,0,0,0|2,0,0]=4 10208 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 2230a_100011934283_100011713703 [0,2,0,0,0,0|2,0,0]=4 10209 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 270004a_100011934283_200011713468 [0,2,0,0,0,0|2,0,0]=4 10210 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1Cl 34a_100011934283_100011713703 [0,2,0,0,0,0|2,0,0]=4 10211 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1F 2230a_100011934283_100011713696 [0,2,0,0,0,0|2,0,0]=4 10212 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1F 34a_100011934283_100000720011 [0,2,0,0,0,0|2,0,0]=4 10213 B17R1.17709 CCCC[C@@H](CO)NCCc1ccccc1O 34a_100011934283_100000722297 [0,2,0,0,0,0|2,0,0]=4 10214 B17R1.17709 CCOCC(CN)OCCc1ccccc1Br 34a_102515437182_100012161201 [0,2,0,0,0,0|2,0,0]=4 10215 B17R1.17709 CCOCC(CN)OCCc1ccccc1C 34a_102515437182_100011713688 [0,2,0,0,0,0|2,0,0]=4 10216 B17R1.17709 CCOCC(CN)OCCc1ccccc1Cl 34a_102515437182_100011713703 [0,2,0,0,0,0|2,0,0]=4 10217 B17R1.17709 CCOCC(CN)OCCc1ccccc1F 34a_102515437182_100000720011 [0,2,0,0,0,0|2,0,0]=4 10218 B17R1.17709 CCOCC(CN)OCCc1ccccc1O 34a_102515437182_100000722297 [0,2,0,0,0,0|2,0,0]=4 10219 B17R1.67070 CC(C)(CCCBr)OCCc1ccccc1Br 7a_100009888830_100012161201 [0,2,0,0,0,0|2,0,0]=4 10220 B17R1.67070 CC(C)(CCCBr)OCCc1ccccc1Cl 7a_100009888830_100011713703 [0,2,0,0,0,0|2,0,0]=4 10221 B17R1.67070 CC(C)(CCCBr)OCCc1ccccc1F 7a_100009888830_100000720011 [0,2,0,0,0,0|2,0,0]=4 10222 B17R1.67070 CC(C)(CCCBr)OCCc1ccccc1O 7a_100009888830_100000722297 [0,2,0,0,0,0|2,0,0]=4 10223 B17R1.67070 CCCCC(C)(C)OCCc1ccccc1Br 7a_100011219641_100012161201 [0,2,0,0,0,0|1,0,0]=3 10224 B17R1.67070 CCCCC(C)(C)OCCc1ccccc1C 7a_100011219641_100011713688 [0,2,0,0,0,0|1,0,0]=3 10225 B17R1.67070 CCCCC(C)(C)OCCc1ccccc1Cl 7a_100011219641_100011713703 [0,2,0,0,0,0|1,0,0]=3 10226 B17R1.67070 CCCCC(C)(C)OCCc1ccccc1F 7a_100011219641_100000720011 [0,2,0,0,0,0|1,0,0]=3 10227 B17R1.67070 CCCCC(C)(C)OCCc1ccccc1O 7a_100011219641_100000722297 [0,2,0,0,0,0|1,0,0]=3 10228 B17R1.67070 Cc1ccccc1CCOC(C)(C)CCCBr 7a_100009888830_100011713688 [0,2,0,0,0,0|2,0,0]=4 10229 B17R1.169222 CC(CCCCl)OCCc1c(cccc1Cl)Cl 34a_200000718107_100012161200 [0,2,0,0,0,0|2,0,0]=4 10230 B17R1.169222 CC(CCCCl)OCCc1c(cccc1Cl)Cl 7a_200000718107_100012161200 [0,2,0,0,0,0|2,0,0]=4 10231 B17R1.169222 CCC#CC(C)OCCc1c(cccc1Cl)Cl 34a_100000033903_100012161200 [0,2,0,0,0,0|1,0,1]=4 10232 B17R1.169222 CCC#CC(C)OCCc1c(cccc1Cl)Cl 7a_100000033903_100012161200 [0,2,0,0,0,0|1,0,1]=4 10233 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)Cl 2230a_100000126638_100012161200 [0,2,0,0,0,0|2,0,0]=4 10234 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)Cl 2230a_100032004868_200011215066 [0,2,0,0,0,0|2,0,0]=4 10235 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)Cl 270004a_100032004868_100000210087 [0,2,0,0,0,0|2,0,0]=4 10236 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)Cl 34a_100032004868_200011215066 [0,2,0,0,0,0|2,0,0]=4 10237 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)F 2230a_100000688150_200011215066 [0,2,0,0,0,0|2,0,0]=4 10238 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)F 270004a_100000688150_100000210087 [0,2,0,0,0,0|2,0,0]=4 10239 B17R1.169222 CCCCC(C)NCCc1c(cccc1Cl)F 34a_100000688150_200011215066 [0,2,0,0,0,0|2,0,0]=4 10240 B17R1.169222 CCCCC(C)OCCc1c(cccc1Cl)F 34a_100011273940_200011215066 [0,2,0,0,0,0|1,0,0]=3 10241 B17R1.169222 CCCCC(C)OCCc1c(cccc1Cl)F 7a_100011273940_200011215066 [0,2,0,0,0,0|1,0,0]=3 10242 B17R1.169222 CCCCC(C)OCCc1c(cccc1F)F 34a_100011975733_200011215066 [0,2,0,0,0,0|1,0,0]=3 10243 B17R1.169222 CCCCC(C)OCCc1c(cccc1F)F 7a_100011975733_200011215066 [0,2,0,0,0,0|1,0,0]=3 10244 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Br 207a_100015185124_100010233043 [0,2,0,0,0,0|2,0,0]=4 10245 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Br 26a_100015185124_100000736428 [0,2,0,0,0,0|2,0,0]=4 10246 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Br 270004a_100015185124_100010233043 [0,2,0,0,0,0|2,0,0]=4 10247 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)C 207a_100015185124_100009881667 [0,2,0,0,0,0|2,0,0]=4 10248 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)C 2230a_100015185124_100010146847 [0,2,0,0,0,0|2,0,0]=4 10249 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)C 26a_100015185124_100009817157 [0,2,0,0,0,0|2,0,0]=4 10250 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)C 270004a_100015185124_100009881667 [0,2,0,0,0,0|2,0,0]=4 10251 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)C 34a_100015185124_100010146847 [0,2,0,0,0,0|2,0,0]=4 10252 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Cl 207a_100015185124_100011249081 [0,2,0,0,0,0|2,0,0]=4 10253 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Cl 2230a_100015185124_100010138402 [0,2,0,0,0,0|2,0,0]=4 10254 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Cl 26a_100015185124_100010214474 [0,2,0,0,0,0|2,0,0]=4 10255 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Cl 270004a_100015185124_100011249081 [0,2,0,0,0,0|2,0,0]=4 10256 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)Cl 34a_100015185124_100010138402 [0,2,0,0,0,0|2,0,0]=4 10257 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)F 207a_100015185124_100000752695 [0,2,0,0,0,0|2,0,0]=4 10258 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)F 2230a_100015185124_100012145669 [0,2,0,0,0,0|2,0,0]=4 10259 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)F 26a_100015185124_100009813666 [0,2,0,0,0,0|2,0,0]=4 10260 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)F 270004a_100015185124_100000752695 [0,2,0,0,0,0|2,0,0]=4 10261 B17R1.169222 CCCOC(C)CNCc1c(cccc1Br)F 34a_100015185124_100012145669 [0,2,0,0,0,0|2,0,0]=4 10262 B17R1.169222 CCCOC(C)CNCc1c(cccc1C)C 207a_100015185124_100000758299 [0,2,0,0,0,0|2,0,0]=4 10263 B17R1.169222 CCCOC(C)CNCc1c(cccc1C)C 2230a_100015185124_100000758300 [0,2,0,0,0,0|2,0,0]=4 10264 B17R1.169222 CCCOC(C)CNCc1c(cccc1C)C 270004a_100015185124_100000758299 [0,2,0,0,0,0|2,0,0]=4 10265 B17R1.169222 CCCOC(C)CNCc1c(cccc1C)C 34a_100015185124_100000758300 [0,2,0,0,0,0|2,0,0]=4 10266 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)C 207a_100015185124_100000041122 [0,2,0,0,0,0|2,0,0]=4 10267 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)C 270004a_100015185124_100000041122 [0,2,0,0,0,0|2,0,0]=4 10268 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)Cl 207a_100015185124_100000189306 [0,2,0,0,0,0|2,0,0]=4 10269 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)Cl 2230a_100015185124_100000187851 [0,2,0,0,0,0|2,0,0]=4 10270 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)Cl 26a_100015185124_100000211709 [0,2,0,0,0,0|2,0,0]=4 10271 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)Cl 270004a_100015185124_100000189306 [0,2,0,0,0,0|2,0,0]=4 10272 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)Cl 34a_100015185124_100000187851 [0,2,0,0,0,0|2,0,0]=4 10273 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)F 207a_100015185124_100000210083 [0,2,0,0,0,0|2,0,0]=4 10274 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)F 2230a_100015185124_100000187852 [0,2,0,0,0,0|2,0,0]=4 10275 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)F 270004a_100015185124_100000210083 [0,2,0,0,0,0|2,0,0]=4 10276 B17R1.169222 CCCOC(C)CNCc1c(cccc1Cl)F 34a_100015185124_100000187852 [0,2,0,0,0,0|2,0,0]=4 10277 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)C 207a_100015185124_100000069827 [0,2,0,0,0,0|2,0,0]=4 10278 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)C 2230a_100015185124_100009814554 [0,2,0,0,0,0|2,0,0]=4 10279 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)C 270004a_100015185124_100000069827 [0,2,0,0,0,0|2,0,0]=4 10280 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)C 34a_100015185124_100009814554 [0,2,0,0,0,0|2,0,0]=4 10281 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)F 207a_100015185124_100000211061 [0,2,0,0,0,0|2,0,0]=4 10282 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)F 2230a_100015185124_100000698325 [0,2,0,0,0,0|2,0,0]=4 10283 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)F 270004a_100015185124_100000211061 [0,2,0,0,0,0|2,0,0]=4 10284 B17R1.169222 CCCOC(C)CNCc1c(cccc1F)F 34a_100015185124_100000698325 [0,2,0,0,0,0|2,0,0]=4 10285 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)Br 2230a_100015185124_100010146611 [0,2,0,0,0,0|2,0,0]=4 10286 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)Br 26a_100015185124_100010084509 [0,2,0,0,0,0|2,0,0]=4 10287 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)Br 34a_100015185124_100010146611 [0,2,0,0,0,0|2,0,0]=4 10288 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)C 2230a_100015185124_100010150146 [0,2,0,0,0,0|2,0,0]=4 10289 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)C 34a_100015185124_100010150146 [0,2,0,0,0,0|2,0,0]=4 10290 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)Cl 207a_100015185124_100010147682 [0,2,0,0,0,0|2,0,0]=4 10291 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)Cl 270004a_100015185124_100010147682 [0,2,0,0,0,0|2,0,0]=4 10292 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)F 207a_100015185124_100010178011 [0,2,0,0,0,0|2,0,0]=4 10293 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)F 2230a_100015185124_100010149602 [0,2,0,0,0,0|2,0,0]=4 10294 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)F 270004a_100015185124_100010178011 [0,2,0,0,0,0|2,0,0]=4 10295 B17R1.169222 CCCOC(C)CNCc1c(cccc1I)F 34a_100015185124_100010149602 [0,2,0,0,0,0|2,0,0]=4 10296 B17R1.169222 CCOCC(C)OCCc1c(cccc1Cl)Cl 34a_100000718985_100012161200 [0,2,0,0,0,0|2,0,0]=4 10297 B17R1.169222 CCOCC(C)OCCc1c(cccc1Cl)Cl 7a_100000718985_100012161200 [0,2,0,0,0,0|2,0,0]=4 10298 B17R1.2442 CCC(CCC(C)C)OCCc1ccccc1 34a_100011216567_100000765856 [0,2,0,0,0,0|1,0,0]=3 10299 B17R1.2442 CCC(CCC(C)C)OCCc1ccccc1 7a_100011216567_100000765856 [0,2,0,0,0,0|1,0,0]=3 10300 B17R1.2442 CCC(CCC(C)C)OCCc1ccccn1 7a_100011216567_100015183660 [0,2,0,0,0,0|2,0,0]=4 10301 B17R1.2442 CCC(CCC(C)C)OCCc1cccnc1 7a_100011216567_200011713674 [0,2,0,0,0,0|2,0,0]=4 10302 B17R1.2442 CCC(CCC(C)C)OCCc1ccncc1 7a_100011216567_100000723409 [0,2,0,0,0,0|2,0,0]=4 10303 B17R1.9347 CCCCC(NCCc1ccccc1)C(C)C 270004a_100000106460_200011215219 [0,2,0,0,0,0|2,0,0]=4 10304 B17R1.9347 CCCCC(OCCc1ccccc1)C(=O)N 34a_100000210268_100000748834 [0,2,0,0,0,0|1,0,1]=4 10305 B17R1.9347 CCCCC(OCCc1ccccc1)C(=O)N 7a_100000210268_100000748834 [0,2,0,0,0,0|1,0,1]=4 10306 B17R1.9565 CCCCC(C)(CC)OCCc1ccccc1 7a_200011218725_100000765856 [0,2,0,0,0,0|1,0,0]=3 10307 B17R1.9565 CCCCC(C)(CC)OCCc1ccccn1 7a_200011218725_100015183660 [0,2,0,0,0,0|2,0,0]=4 10308 B17R1.9565 CCCCC(C)(CC)OCCc1cccnc1 7a_200011218725_200011713674 [0,2,0,0,0,0|2,0,0]=4 10309 B17R1.9565 CCCCC(C)(CC)OCCc1ccncc1 7a_200011218725_100000723409 [0,2,0,0,0,0|2,0,0]=4 10310 B17R1.16865 C=CCC(CCCC)OCCc1ccccc1 34a_200011216941_100000765856 [0,2,0,0,0,0|1,0,0]=3 10311 B17R1.16865 C=CCC(CCCC)OCCc1ccccc1 7a_200011216941_100000765856 [0,2,0,0,0,0|1,0,0]=3 10312 B17R1.16865 C=CCC(CCCC)OCCc1ccccn1 7a_200011216941_100015183660 [0,2,0,0,0,0|2,0,0]=4 10313 B17R1.16865 C=CCC(CCCC)OCCc1cccnc1 7a_200011216941_200011713674 [0,2,0,0,0,0|2,0,0]=4 10314 B17R1.16865 C=CCC(CCCC)OCCc1ccncc1 7a_200011216941_100000723409 [0,2,0,0,0,0|2,0,0]=4 10315 B17R1.16865 CCCCC(CCC)NCCc1ccccc1 34a_100000106460_100000211913 [0,2,0,0,0,0|2,0,0]=4 10316 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 34a_100000210268_100000211913 [0,2,0,0,0,0|1,0,0]=3 10317 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 34a_100011215800_100000765856 [0,2,0,0,0,0|1,0,0]=3 10318 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 7a_100000210268_100000211913 [0,2,0,0,0,0|1,0,0]=3 10319 B17R1.16865 CCCCC(CCC)OCCc1ccccc1 7a_100011215800_100000765856 [0,2,0,0,0,0|1,0,0]=3 10320 B17R1.16865 CCCCC(CCC)OCCc1ccccn1 34a_100000210271_100000211913 [0,2,0,0,0,0|2,0,0]=4 10321 B17R1.16865 CCCCC(CCC)OCCc1ccccn1 7a_100011215800_100015183660 [0,2,0,0,0,0|2,0,0]=4 10322 B17R1.16865 CCCCC(CCC)OCCc1cccnc1 34a_100011217484_100000211913 [0,2,0,0,0,0|2,0,0]=4 10323 B17R1.16865 CCCCC(CCC)OCCc1cccnc1 7a_100011215800_200011713674 [0,2,0,0,0,0|2,0,0]=4 10324 B17R1.16865 CCCCC(CCC)OCCc1ccncc1 34a_100011216225_100000211913 [0,2,0,0,0,0|2,0,0]=4 10325 B17R1.16865 CCCCC(CCC)OCCc1ccncc1 7a_100011215800_100000723409 [0,2,0,0,0,0|2,0,0]=4 10326 B17R1.18489 C#CC(OCCc1ccccc1)C(C)CCC 34a_200011216176_100000765856 [0,2,0,0,0,0|1,0,1]=4 10327 B17R1.18489 C#CC(OCCc1ccccc1)C(C)CCC 7a_200011216176_100000765856 [0,2,0,0,0,0|1,0,1]=4 10328 B17R1.18489 CCCC(C)C(CC)OCCc1ccccc1 34a_200011218412_100000765856 [0,2,0,0,0,0|1,0,0]=3 10329 B17R1.18489 CCCC(C)C(CC)OCCc1ccccc1 7a_200011218412_100000765856 [0,2,0,0,0,0|1,0,0]=3 10330 B17R1.18489 CCCC(C)C(CC)OCCc1ccccn1 7a_200011218412_100015183660 [0,2,0,0,0,0|2,0,0]=4 10331 B17R1.18489 CCCC(C)C(CC)OCCc1cccnc1 7a_200011218412_200011713674 [0,2,0,0,0,0|2,0,0]=4 10332 B17R1.18489 CCCC(C)C(CC)OCCc1ccncc1 7a_200011218412_100000723409 [0,2,0,0,0,0|2,0,0]=4 10333 B17R1.18489 CCOC(=O)C(CC)OCCc1ccccc1 34a_100000210268_100000212269 [0,2,0,0,0,0|2,0,0]=4 10334 B17R1.18489 CCOC(=O)C(CC)OCCc1ccccc1 34a_100011216719_100000765856 [0,2,0,0,0,0|2,0,0]=4 10335 B17R1.18489 CCOC(=O)C(CC)OCCc1ccccc1 7a_100000210268_100000212269 [0,2,0,0,0,0|2,0,0]=4 10336 B17R1.18489 CCOC(=O)C(CC)OCCc1ccccc1 7a_100011216719_100000765856 [0,2,0,0,0,0|2,0,0]=4 10337 B17R1.18489 CCOC(=O)C(OCCc1ccccc1)SC 34a_100000210268_100009893047 [0,2,0,0,0,0|2,0,0]=4 10338 B17R1.16318 C=C(CC(C)C)C(C)NCCc1ccccc1 269862a_100000106460_100009860644 [0,2,0,0,0,0|2,0,0]=4 10339 B17R1.16318 CC(C)CC(=O)C(C)CCCc1ccccc1 1458a_100000210554_200010759516 [0,2,0,0,0,0|2,0,0]=4 10340 B17R1.16318 CC(C)CN(C)C(C)CCCc1ccccc1 2230a_100000747067_200010759516 [0,2,0,0,0,0|2,0,0]=4 10341 B17R1.16318 CC(C)CN(C)C(C)CCCc1ccccc1 269982a_100000747067_200010759516 [0,2,0,0,0,0|2,0,0]=4 10342 B17R1.16318 CC(C)NC(=O)C(C)OCCc1ccccc1 34a_100000210268_100000195394 [0,2,0,0,0,0|2,0,0]=4 10343 B17R1.16318 CC(C)NC(=O)C(C)OCCc1ccccc1 7a_100000210268_100000195394 [0,2,0,0,0,0|2,0,0]=4 10344 B17R1.16318 CC(C)OC(=O)[C@@H](C)OCCc1ccccc1 34a_100015307928_100000765856 [0,2,0,0,0,0|2,0,0]=4 10345 B17R1.16318 CC(C)OC(=O)[C@@H](C)OCCc1ccccc1 7a_100015307928_100000765856 [0,2,0,0,0,0|2,0,0]=4 10346 B17R1.16318 CC(CCCc1ccccc1)C(=O)C[C@@H](C)O 1458a_100011933948_200010759516 [0,2,0,0,0,0|2,0,0]=4 10347 B17R1.16318 CC(O)CN(C)C(C)CCCc1ccccc1 2230a_100000227577_200010759516 [0,2,0,0,0,0|2,0,0]=4 10348 B17R1.16318 CC(O)CN(C)C(C)CCCc1ccccc1 269982a_100000227577_200010759516 [0,2,0,0,0,0|2,0,0]=4 10349 B17R1.21717 CCCC(C)C(C)(C)OCCc1ccccc1 7a_200011218223_100000765856 [0,2,0,0,0,0|1,0,0]=3 10350 B17R1.21717 CCCC(C)C(C)(C)OCCc1ccccn1 7a_200011218223_100015183660 [0,2,0,0,0,0|2,0,0]=4 10351 B17R1.21717 CCCC(C)C(C)(C)OCCc1cccnc1 7a_200011218223_200011713674 [0,2,0,0,0,0|2,0,0]=4 10352 B17R1.21717 CCCC(C)C(C)(C)OCCc1ccncc1 7a_200011218223_100000723409 [0,2,0,0,0,0|2,0,0]=4 10353 B17R1.21717 CCOC(=O)C(C)(C)OCCc1ccccc1 34a_100000686869_100000765856 [0,2,0,0,0,0|2,0,0]=4 10354 B17R1.21717 CCOC(=O)C(C)(C)OCCc1ccccc1 7a_100000210268_100011216345 [0,2,0,0,0,0|2,0,0]=4 10355 B17R1.21717 CCOC(=O)C(C)(C)OCCc1ccccc1 7a_100000686869_100000765856 [0,2,0,0,0,0|2,0,0]=4 10356 B17R1.31460 CCCN(CC)C(C)CCCc1ccccc1 2230a_100000226822_200010759516 [0,2,0,0,0,0|2,0,0]=4 10357 B17R1.31460 CCCN(CC)C(C)CCCc1ccccc1 269982a_100000226822_200010759516 [0,2,0,0,0,0|2,0,0]=4 10358 B17R1.26319 CC(C)CCC(C)(C)NCCc1ccccc1 34a_100000106460_200000037585 [0,2,0,0,0,0|2,0,0]=4 10359 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccccc1 34a_100000210268_200000037585 [0,2,0,0,0,0|1,0,0]=3 10360 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccccc1 7a_200011218267_100000765856 [0,2,0,0,0,0|1,0,0]=3 10361 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccccn1 34a_100000210271_200000037585 [0,2,0,0,0,0|2,0,0]=4 10362 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccccn1 7a_200011218267_100015183660 [0,2,0,0,0,0|2,0,0]=4 10363 B17R1.26319 CC(C)CCC(C)(C)OCCc1cccnc1 34a_100011217484_200000037585 [0,2,0,0,0,0|2,0,0]=4 10364 B17R1.26319 CC(C)CCC(C)(C)OCCc1cccnc1 7a_200011218267_200011713674 [0,2,0,0,0,0|2,0,0]=4 10365 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccncc1 34a_100011216225_200000037585 [0,2,0,0,0,0|2,0,0]=4 10366 B17R1.26319 CC(C)CCC(C)(C)OCCc1ccncc1 7a_200011218267_100000723409 [0,2,0,0,0,0|2,0,0]=4 10367 B17R1.104771 CC(CCC(F)(F)F)OCCc1ccccc1 34a_200012104943_100000765856 [0,2,0,0,0,0|2,0,0]=4 10368 B17R1.104771 CC(CCC(F)(F)F)OCCc1ccccc1 7a_200012104943_100000765856 [0,2,0,0,0,0|2,0,0]=4 10369 B17R1.104771 CC(CCCc1ccccc1)NCC(C)(C)C 2230a_100000743828_200010759516 [0,2,0,0,0,0|2,0,0]=4 10370 B17R1.104771 CC(CCCc1ccccc1)NCC(C)(C)F 2230a_100020643315_200010759516 [0,2,0,0,0,0|2,0,0]=4 10371 B17R1.104771 CC(CCCc1ccccc1)NCC(C)(C)O 2230a_100000751335_200010759516 [0,2,0,0,0,0|2,0,0]=4 10372 B17R1.104771 CC(CCCc1ccccc1)OCC(C)(C)F 34a_100000716592_200010759516 [0,2,0,0,0,0|1,0,0]=3 10373 B17R1.104771 CC(CCCc1ccccc1)OCC(C)(F)F 34a_100000068830_200010759516 [0,2,0,0,0,0|1,0,0]=3 10374 B17R1.104771 CC(CCCc1ccccc1)OCC(F)(F)Br 34a_100011217949_200010759516 [0,2,0,0,0,0|2,0,0]=4 10375 B17R1.104771 CC(CCCc1ccccc1)OCC(F)(F)Cl 34a_100000734434_200010759516 [0,2,0,0,0,0|2,0,0]=4 10376 B17R1.104771 CC(CCCc1ccccc1)OCC(F)(F)F 34a_100000210435_200010759516 [0,2,0,0,0,0|2,0,0]=4 10377 B17R1.104771 CC(CCCc1ccccc1)SCC(C)(C)F 62a_100011997219_200010759516 [0,2,0,0,0,0|1,1,0]=4 10378 B17R1.104771 CC(CCCc1ccccc1)SCC(C)(C)F 62a_200010759516_100011997219 [0,2,0,0,0,0|1,1,0]=4 10379 B17R1.104771 CC(CCCc1ccccc1)SCC(C)(C)O 62a_100000764493_200010759516 [0,2,0,0,0,0|1,1,0]=4 10380 B17R1.104771 CC(CCCc1ccccc1)SCC(C)(C)O 62a_200010759516_100000764493 [0,2,0,0,0,0|1,1,0]=4 10381 B17R1.104771 CC(COC(C)(C)C)OCCc1ccccc1 7a_100011215624_100000765856 [0,2,0,0,0,0|2,0,0]=4 10382 B17R1.104771 CC(COCc1ccccc1)OCC(C)(C)C 34a_100000764311_100011219605 [0,2,0,0,0,0|2,0,0]=4 10383 B17R1.104771 CC(COCc1ccccc1)OCC(C)(C)F 34a_100000764311_100011997219 [0,2,0,0,0,0|2,0,0]=4 10384 B17R1.104771 CC(COCc1ccccc1)OCC(C)(C)O 34a_100000764311_100000764493 [0,2,0,0,0,0|2,0,0]=4 10385 B17R1.104771 CC(COCc1ccccc1)OCC(C)(C)O 7a_100000764311_100000764493 [0,2,0,0,0,0|2,0,0]=4 10386 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [1,0,0,1,0,0|2,0,0]=4 10387 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [1,0,0,1,0,0|2,0,0]=4 10388 B15R2.21 CCN1CCOCC1c2ccccc2 2230a_100000765270_100000210202 [1,0,0,1,0,0|2,0,0]=4 10389 B15R2.21 CCN1CCOCC1c2ccccc2 269982a_100000765270_100000204670 [1,0,0,1,0,0|2,0,0]=4 10390 B15R2.21 CCN1CCOCC1c2ccccc2 34a_100000765270_100000210202 [1,0,0,1,0,0|2,0,0]=4 10391 B15R2.38 C[C@H]1COCCN1Cc2ccccc2 2230a_100009815349_100015291786 [1,0,0,1,0,0|2,0,0]=4 10392 B15R2.38 C[C@H]1COCCN1Cc2ccccc2 269982a_100009815349_100000211182 [1,0,0,1,0,0|2,0,0]=4 10393 B15R2.38 C[C@H]1COCCN1Cc2ccccc2 270004a_100009815349_100015611070 [1,0,0,1,0,0|2,0,0]=4 10394 B15R2.38 C[C@H]1COCCN1Cc2ccccc2 34a_100009815349_100015291786 [1,0,0,1,0,0|2,0,0]=4 10395 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 2230a_100015189458_100000765856 [1,0,0,1,0,0|2,0,0]=4 10396 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 269982a_100015189458_100000765856 [1,0,0,1,0,0|2,0,0]=4 10397 B15R2.55 C[C@@H]1CCCN1CCc2ccccc2 34a_100015189458_100000765856 [1,0,0,1,0,0|2,0,0]=4 10398 B15R2.55 C[C@H]1CCCN1CCc2ccccc2 2230a_100020605311_100000765856 [1,0,0,1,0,0|2,0,0]=4 10399 B15R2.55 C[C@H]1CCCN1CCc2ccccc2 269982a_100020605311_100000765856 [1,0,0,1,0,0|2,0,0]=4 10400 B15R2.72 CCCN1CCCC1c2ccccc2 2230a_100000243309_100000210303 [1,0,0,1,0,0|2,0,0]=4 10401 B15R2.72 CCCN1CCCC1c2ccccc2 269982a_100000243309_100000210303 [1,0,0,1,0,0|2,0,0]=4 10402 B15R2.72 CCCN1CCCC1c2ccccc2 34a_100000243309_100000210303 [1,0,0,1,0,0|2,0,0]=4 10403 B15R2.72 CCOC1COCC1c2ccccc2 34a_100010739164_100000210202 [1,0,0,1,0,0|2,0,0]=4 10404 B15R2.72 CCOC1COCC1c2ccccc2 7a_100010739164_100000210202 [1,0,0,1,0,0|2,0,0]=4 10405 B15R2.492 CC1CC1COCCc2ccccc2 34a_100000744939_100000765856 [1,0,0,1,0,0|1,0,0]=3 10406 B15R2.492 CC1CC1COCCc2ccccc2 7a_100000744939_100000765856 [1,0,0,1,0,0|1,0,0]=3 10407 B15R2.492 CC1CC1COCCc2ccccn2 7a_100000744939_100015183660 [1,0,0,1,0,0|2,0,0]=4 10408 B15R2.492 CC1CC1COCCc2cccnc2 7a_100000744939_200011713674 [1,0,0,1,0,0|2,0,0]=4 10409 B15R2.492 CC1CC1COCCc2ccncc2 7a_100000744939_100000723409 [1,0,0,1,0,0|2,0,0]=4 10410 B15R2.1262 CCCOCC1CC1c2ccccc2 34a_100011997005_100000210303 [1,0,0,1,0,0|1,0,0]=3 10411 B15R2.1262 CCCOCC1CC1c2ccccc2 7a_100011997005_100000210303 [1,0,0,1,0,0|1,0,0]=3 10412 B15R2.1262 CCCOCC1OC1c2ccccc2 34a_100000032844_100000210303 [1,0,0,1,0,0|2,0,0]=4 10413 B15R2.1262 CCCOCC1OC1c2ccccc2 7a_100000032844_100000210303 [1,0,0,1,0,0|2,0,0]=4 10414 B15R2.1262 CSCOCC1CC1c2ccccc2 34a_100011997005_100011218213 [1,0,0,1,0,0|2,0,0]=4 10415 B15R2.1262 FCCOCC1CC1c2ccccc2 34a_100011997005_100011217306 [1,0,0,1,0,0|2,0,0]=4 10416 B15R2.1262 FCCOCC1CC1c2ccccc2 7a_100011997005_100011217306 [1,0,0,1,0,0|2,0,0]=4 10417 B15R2.1262 OCCOCC1CC1c2ccccc2 34a_100011997005_100000211926 [1,0,0,1,0,0|2,0,0]=4 10418 B15R2.1262 OCCOCC1CC1c2ccccc2 7a_100011997005_100000211926 [1,0,0,1,0,0|2,0,0]=4 10419 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 2230a_100000685342_100015291786 [1,0,0,1,0,0|2,0,0]=4 10420 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 269982a_100000685342_100000211182 [1,0,0,1,0,0|2,0,0]=4 10421 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 270004a_100000685342_100015611070 [1,0,0,1,0,0|2,0,0]=4 10422 B15R2.2167 c1ccc(cc1)CN2CCCOCC2 34a_100000685342_100015291786 [1,0,0,1,0,0|2,0,0]=4 10423 B15R2.2195 c1cc(ccn1)CCN2CCCOC2 2230a_100000131196_100000723409 [1,0,0,1,0,0|2,0,0]=4 10424 B15R2.2195 c1cc(ccn1)CCN2CCCOC2 269982a_100000131196_100000723409 [1,0,0,1,0,0|2,0,0]=4 10425 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 2230a_100000131196_100000765856 [1,0,0,1,0,0|1,0,0]=3 10426 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 269982a_100000131196_100000765856 [1,0,0,1,0,0|1,0,0]=3 10427 B15R2.2195 c1ccc(cc1)CCN2CCCOC2 34a_100000131196_100000765856 [1,0,0,1,0,0|1,0,0]=3 10428 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 207a_100000719290_100015611070 [1,0,0,1,0,0|2,0,0]=4 10429 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 2230a_100000719290_100015291786 [1,0,0,1,0,0|2,0,0]=4 10430 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 270004a_100000719290_100015611070 [1,0,0,1,0,0|2,0,0]=4 10431 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 270004a_100015324214_100000753404 [1,0,0,1,0,0|2,0,0]=4 10432 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 34a_100000719290_100015291786 [1,0,0,1,0,0|2,0,0]=4 10433 B15R2.2195 c1ccc(cc1)CNC2CCCOC2 34a_100015324214_100000693364 [1,0,0,1,0,0|2,0,0]=4 10434 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000210790_100000693364 [1,0,0,1,0,0|2,0,0]=4 10435 B15R2.2195 c1ccc(cc1)COC2CCCOC2 34a_100000754041_100015291786 [1,0,0,1,0,0|2,0,0]=4 10436 B15R2.2195 c1ccc(cc1)COC2CCCOC2 7a_100000210790_100000693364 [1,0,0,1,0,0|2,0,0]=4 10437 B15R2.2195 c1ccc(cc1)CSC2CCCOC2 62a_100000211182_100000693364 [1,0,0,1,0,0|2,0,0]=4 10438 B15R2.2195 c1ccc(cc1)NCC2CCCOC2 34a_100000106764_100000741521 [1,0,0,1,0,0|2,0,0]=4 10439 B15R2.2195 c1ccc(cc1)OCC2CCCOC2 34a_100000210340_100000741521 [1,0,0,1,0,0|2,0,0]=4 10440 B15R2.2195 c1ccc(cc1)OCC2CCCOC2 7a_100000210340_100000741521 [1,0,0,1,0,0|2,0,0]=4 10441 B15R2.2195 c1ccc(cc1)SCC2CCCOC2 62a_100000719477_100000741521 [1,0,0,1,0,0|2,0,0]=4 10442 B15R2.2195 c1ccc(cc1)SCC2CCCOC2 62a_100000741521_100000041952 [1,0,0,1,0,0|2,0,0]=4 10443 B15R2.2195 c1ccc(cc1)SCN2CCCOC2 2230a_100000131196_100011218342 [1,0,0,1,0,0|2,0,0]=4 10444 B15R2.2195 c1ccc(cc1)SCN2CCCOC2 269982a_100000131196_100011218342 [1,0,0,1,0,0|2,0,0]=4 10445 B15R2.2195 c1ccc(nc1)CCN2CCCOC2 2230a_100000131196_100015183660 [1,0,0,1,0,0|2,0,0]=4 10446 B15R2.2195 c1ccc(nc1)CCN2CCCOC2 269982a_100000131196_100015183660 [1,0,0,1,0,0|2,0,0]=4 10447 B15R2.2195 c1cncc(c1)CCN2CCCOC2 2230a_100000131196_200011713674 [1,0,0,1,0,0|2,0,0]=4 10448 B15R2.2195 c1cncc(c1)CCN2CCCOC2 269982a_100000131196_200011713674 [1,0,0,1,0,0|2,0,0]=4 10449 B15R2.2196 c1cc(ccn1)CCOC2CCCC2 34a_100011216225_100000179811 [1,0,0,1,0,0|2,0,0]=4 10450 B15R2.2196 c1cc(ccn1)CCOC2CCCC2 7a_100000210269_100000723409 [1,0,0,1,0,0|2,0,0]=4 10451 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000106460_100000179811 [1,0,0,1,0,0|2,0,0]=4 10452 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 2230a_100000211070_100000765856 [1,0,0,1,0,0|2,0,0]=4 10453 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 270004a_100000106460_100000210133 [1,0,0,1,0,0|2,0,0]=4 10454 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000106460_100000179811 [1,0,0,1,0,0|2,0,0]=4 10455 B15R2.2196 c1ccc(cc1)CCNC2CCCC2 34a_100000211070_100000765856 [1,0,0,1,0,0|2,0,0]=4 10456 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210268_100000179811 [1,0,0,1,0,0|1,0,0]=3 10457 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 34a_100000210269_100000765856 [1,0,0,1,0,0|1,0,0]=3 10458 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210268_100000179811 [1,0,0,1,0,0|1,0,0]=3 10459 B15R2.2196 c1ccc(cc1)CCOC2CCCC2 7a_100000210269_100000765856 [1,0,0,1,0,0|1,0,0]=3 10460 B15R2.2196 c1ccc(cc1)CCOC2CCCO2 34a_100000085407_100000765856 [1,0,0,1,0,0|0,0,0]=2 10461 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 34a_100000210268_100000690089 [1,0,0,1,0,0|2,0,0]=4 10462 B15R2.2196 c1ccc(cc1)CCOC2CCOC2 7a_100000210268_100000731011 [1,0,0,1,0,0|2,0,0]=4 10463 B15R2.2196 c1ccc(cc1)CCOC2CCSC2 7a_100011232664_100000765856 [1,0,0,1,0,0|2,0,0]=4 10464 B15R2.2196 c1ccc(cc1)CCO[C@H]2CCOC2 34a_100000717292_100000765856 [1,0,0,1,0,0|2,0,0]=4 10465 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100000765856_100000179811 [1,0,0,1,0,0|1,1,0]=4 10466 B15R2.2196 c1ccc(cc1)CCSC2CCCC2 62a_100011217020_100011218657 [1,0,0,1,0,0|1,1,0]=4 10467 B15R2.2196 c1ccc(cc1)CNCC2CCCO2 2230a_100015324214_100000203698 [1,0,0,1,0,0|2,0,0]=4 10468 B15R2.2196 c1ccc(cc1)CNC[C@@H]2CCCO2 207a_100020590478_100015611070 [1,0,0,1,0,0|2,0,0]=4 10469 B15R2.2196 c1ccc(cc1)CNC[C@@H]2CCCO2 2230a_100020590478_100015291786 [1,0,0,1,0,0|2,0,0]=4 10470 B15R2.2196 c1ccc(cc1)CNC[C@@H]2CCCO2 270004a_100020590478_100015611070 [1,0,0,1,0,0|2,0,0]=4 10471 B15R2.2196 c1ccc(cc1)CNC[C@@H]2CCCO2 34a_100020590478_100015291786 [1,0,0,1,0,0|2,0,0]=4 10472 B15R2.2196 c1ccc(cc1)COCC2CCCO2 34a_100000210270_100015291786 [1,0,0,1,0,0|2,0,0]=4 10473 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210270_100000211182 [1,0,0,1,0,0|2,0,0]=4 10474 B15R2.2196 c1ccc(cc1)COCC2CCCO2 7a_100000210790_100000203698 [1,0,0,1,0,0|2,0,0]=4 10475 B15R2.2196 c1ccc(cc1)CSCC2CCCO2 62a_100000203698_100015291786 [1,0,0,1,0,0|2,0,0]=4 10476 B15R2.2196 c1ccc(cc1)CSCC2CCCO2 62a_100000211182_100000203698 [1,0,0,1,0,0|2,0,0]=4 10477 B15R2.2196 c1ccc(nc1)CCOC2CCCC2 34a_100000210271_100000179811 [1,0,0,1,0,0|2,0,0]=4 10478 B15R2.2196 c1ccc(nc1)CCOC2CCCC2 7a_100000210269_100015183660 [1,0,0,1,0,0|2,0,0]=4 10479 B15R2.2196 c1cncc(c1)CCOC2CCCC2 34a_100011217484_100000179811 [1,0,0,1,0,0|2,0,0]=4 10480 B15R2.2196 c1cncc(c1)CCOC2CCCC2 7a_100000210269_200011713674 [1,0,0,1,0,0|2,0,0]=4 10481 B15R2.4226 c1cc(ccn1)CCCCOC2CC2 34a_100011787716_100000211595 [1,0,0,1,0,0|2,0,0]=4 10482 B15R2.4226 c1cc(ccn1)CCOCCC2CC2 34a_100011216225_100000694398 [1,0,0,1,0,0|2,0,0]=4 10483 B15R2.4226 c1cc(ccn1)CCOCCC2CC2 7a_100000754188_100000723409 [1,0,0,1,0,0|2,0,0]=4 10484 B15R2.4226 c1ccc(cc1)CCCCNC2CC2 34a_100000212008_100000701786 [1,0,0,1,0,0|2,0,0]=4 10485 B15R2.4226 c1ccc(cc1)CCCCNC2CC2 34a_100015280158_100000211595 [1,0,0,1,0,0|2,0,0]=4 10486 B15R2.4226 c1ccc(cc1)CCCCOC2CC2 34a_100000703073_100000211595 [1,0,0,1,0,0|1,0,0]=3 10487 B15R2.4226 c1ccc(cc1)CCCCSC2CC2 62a_100000701786_100000211595 [1,0,0,1,0,0|1,1,0]=4 10488 B15R2.4226 c1ccc(cc1)CCNCCC2CC2 2230a_100000106460_100000694398 [1,0,0,1,0,0|2,0,0]=4 10489 B15R2.4226 c1ccc(cc1)CCNCCC2CC2 34a_100000106460_100000694398 [1,0,0,1,0,0|2,0,0]=4 10490 B15R2.4226 c1ccc(cc1)CCNCCC2CC2 34a_100000764129_100000765856 [1,0,0,1,0,0|2,0,0]=4 10491 B15R2.4226 c1ccc(cc1)CCOCCC2CC2 34a_100000210268_100000694398 [1,0,0,1,0,0|1,0,0]=3 10492 B15R2.4226 c1ccc(cc1)CCOCCC2CC2 34a_100000754188_100000765856 [1,0,0,1,0,0|1,0,0]=3 10493 B15R2.4226 c1ccc(cc1)CCOCCC2CC2 7a_100000210268_100000764125 [1,0,0,1,0,0|1,0,0]=3 10494 B15R2.4226 c1ccc(cc1)CCOCCC2CC2 7a_100000754188_100000765856 [1,0,0,1,0,0|1,0,0]=3 10495 B15R2.4226 c1ccc(cc1)CCOCCC2CO2 34a_100000210268_100000732470 [1,0,0,1,0,0|2,0,0]=4 10496 B15R2.4226 c1ccc(cc1)CCOCCC2CO2 7a_100000210268_100000732470 [1,0,0,1,0,0|2,0,0]=4 10497 B15R2.4226 c1ccc(cc1)CCOCC[C@@H]2CO2 34a_100009820653_100000765856 [1,0,0,1,0,0|2,0,0]=4 10498 B15R2.4226 c1ccc(cc1)CCSCCC2CC2 62a_100000764125_100011218657 [1,0,0,1,0,0|1,1,0]=4 10499 B15R2.4226 c1ccc(cc1)CCSCCC2CC2 62a_100000765856_100000764125 [1,0,0,1,0,0|1,1,0]=4 10500 B15R2.4226 c1ccc(cc1)CNCCOC2CC2 34a_100000180844_100000211595 [1,0,0,1,0,0|2,0,0]=4 10501 B15R2.4226 c1ccc(cc1)COCCOC2CC2 34a_100000759325_100000211595 [1,0,0,1,0,0|2,0,0]=4 10502 B15R2.4226 c1ccc(cc1)CSCCOC2CC2 34a_100011205989_100000211595 [1,0,0,1,0,0|2,0,0]=4 10503 B15R2.4226 c1ccc(cc1)NCCCOC2CC2 34a_100000212590_100000211595 [1,0,0,1,0,0|2,0,0]=4 10504 B15R2.4226 c1ccc(cc1)OCCCOC2CC2 34a_100011215863_100000211595 [1,0,0,1,0,0|2,0,0]=4 10505 B15R2.4226 c1ccc(nc1)CCCCOC2CC2 34a_100012186994_100000211595 [1,0,0,1,0,0|2,0,0]=4 10506 B15R2.4226 c1ccc(nc1)CCOCCC2CC2 34a_100000210271_100000694398 [1,0,0,1,0,0|2,0,0]=4 10507 B15R2.4226 c1ccc(nc1)CCOCCC2CC2 7a_100000754188_100015183660 [1,0,0,1,0,0|2,0,0]=4 10508 B15R2.4226 c1cncc(c1)CCCCOC2CC2 34a_100012039607_100000211595 [1,0,0,1,0,0|2,0,0]=4 10509 B15R2.4226 c1cncc(c1)CCOCCC2CC2 34a_100011217484_100000694398 [1,0,0,1,0,0|2,0,0]=4 10510 B15R2.4226 c1cncc(c1)CCOCCC2CC2 7a_100000754188_200011713674 [1,0,0,1,0,0|2,0,0]=4 10511 B15R2.18471 CCCNC1CCCc2c1cccc2 269862a_100020643023_100000210882 [1,0,0,1,0,0|2,0,0]=4 10512 B15R2.18471 CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210303 [1,0,0,1,0,0|2,0,0]=4 10513 B15R2.18471 CCCOC1CCCc2c1cccc2 34a_100000183665_100000210303 [1,0,0,1,0,0|1,0,0]=3 10514 B15R2.18471 CCCOC1CCCc2c1cccc2 7a_100000183665_100000210303 [1,0,0,1,0,0|1,0,0]=3 10515 B15R2.18471 CCCOC1CCOc2c1cccc2 7a_100000708930_100000210303 [1,0,0,1,0,0|2,0,0]=4 10516 B15R2.18471 CCCOC1COCc2c1cccc2 34a_100012179175_100000210303 [1,0,0,1,0,0|2,0,0]=4 10517 B15R2.18471 CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210202 [1,0,0,1,0,0|2,0,0]=4 10518 B15R2.18471 CCNCC1OCCc2c1cccc2 34a_100000755408_100000210202 [1,0,0,1,0,0|2,0,0]=4 10519 B15R2.18471 CSCOC1CCCc2c1cccc2 34a_100000183665_100011218213 [1,0,0,1,0,0|2,0,0]=4 10520 B15R2.18471 FCCOC1CCCc2c1cccc2 34a_100000183665_100011217306 [1,0,0,1,0,0|2,0,0]=4 10521 B15R2.18471 FCCOC1CCCc2c1cccc2 7a_100000183665_100011217306 [1,0,0,1,0,0|2,0,0]=4 10522 B15R2.18471 OCCOC1CCCc2c1cccc2 34a_100000183665_100000211926 [1,0,0,1,0,0|2,0,0]=4 10523 B15R2.18471 OCCOC1CCCc2c1cccc2 7a_100000183665_100000211926 [1,0,0,1,0,0|2,0,0]=4 10524 B15R2.27836 c1cc(ccn1)CCOCC2CCC2 34a_100011216225_100000763275 [1,0,0,1,0,0|2,0,0]=4 10525 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 269982a_100000754969_100000701786 [1,0,0,1,0,0|2,0,0]=4 10526 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 2230a_100000106460_100000763275 [1,0,0,1,0,0|2,0,0]=4 10527 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 2230a_100000738700_100000765856 [1,0,0,1,0,0|2,0,0]=4 10528 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 269862a_100000106460_100000753134 [1,0,0,1,0,0|2,0,0]=4 10529 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 34a_100000106460_100000763275 [1,0,0,1,0,0|2,0,0]=4 10530 B15R2.27836 c1ccc(cc1)CCNCC2CCC2 34a_100000738700_100000765856 [1,0,0,1,0,0|2,0,0]=4 10531 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 34a_100000210268_100000763275 [1,0,0,1,0,0|1,0,0]=3 10532 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 34a_100000760304_100000765856 [1,0,0,1,0,0|1,0,0]=3 10533 B15R2.27836 c1ccc(cc1)CCOCC2CCC2 7a_100000210268_100000763275 [1,0,0,1,0,0|1,0,0]=3 10534 B15R2.27836 c1ccc(cc1)CCOCC2CCO2 34a_100000039022_100000765856 [1,0,0,1,0,0|2,0,0]=4 10535 B15R2.27836 c1ccc(cc1)CCOCC2CCO2 34a_100000210268_100000103362 [1,0,0,1,0,0|2,0,0]=4 10536 B15R2.27836 c1ccc(cc1)CCOCC2CCO2 7a_100000210268_100000103362 [1,0,0,1,0,0|2,0,0]=4 10537 B15R2.27836 c1ccc(cc1)CCOCC2CNC2 34a_100016987283_100000765856 [1,0,0,1,0,0|2,0,0]=4 10538 B15R2.27836 c1ccc(cc1)CCOCC2COC2 34a_100000060846_100000765856 [1,0,0,1,0,0|2,0,0]=4 10539 B15R2.27836 c1ccc(cc1)CCOCC2COC2 34a_100000210268_100010264016 [1,0,0,1,0,0|2,0,0]=4 10540 B15R2.27836 c1ccc(cc1)CCOCC2COC2 7a_100000210268_100010264016 [1,0,0,1,0,0|2,0,0]=4 10541 B15R2.27836 c1ccc(cc1)CCSCC2CCC2 62a_100000763275_100011218657 [1,0,0,1,0,0|1,1,0]=4 10542 B15R2.27836 c1ccc(cc1)CCSCC2CCC2 62a_100000765856_100000763275 [1,0,0,1,0,0|1,1,0]=4 10543 B15R2.27836 c1ccc(nc1)CCOCC2CCC2 34a_100000210271_100000763275 [1,0,0,1,0,0|2,0,0]=4 10544 B15R2.27836 c1cncc(c1)CCOCC2CCC2 34a_100011217484_100000763275 [1,0,0,1,0,0|2,0,0]=4 10545 B15R2.71393 CCCCCOC1Cc2c1cccc2 7a_100000210253_100009813401 [1,0,0,1,0,0|1,0,0]=3 10546 B15R2.71393 CCCCCSC1Cc2c1cccc2 62a_100000210326_100009813401 [1,0,0,1,0,0|1,1,0]=4 10547 B15R2.71393 CCCCCSC1Cc2c1cccc2 62a_100009813401_100000210326 [1,0,0,1,0,0|1,1,0]=4 10548 B15R2.71393 CCOCCOC1Cc2c1cccc2 7a_100000210136_100009813401 [1,0,0,1,0,0|2,0,0]=4 10549 B15R2.71393 CCSCCOC1Cc2c1cccc2 7a_100000212035_100009813401 [1,0,0,1,0,0|2,0,0]=4 10550 B15R2.71393 CSCCCOC1Cc2c1cccc2 7a_100000690336_100009813401 [1,0,0,1,0,0|2,0,0]=4 10551 B15R2.71393 ClCCCCOC1Cc2c1cccc2 7a_100000210776_100009813401 [1,0,0,1,0,0|2,0,0]=4 10552 B15R2.71393 FCCCCOC1Cc2c1cccc2 7a_100011995726_100009813401 [1,0,0,1,0,0|2,0,0]=4 10553 B15R2.31 CC1CN(CCO1)Cc2ccccc2 2230a_100000729577_100015291786 [1,0,0,1,0,0|2,0,0]=4 10554 B15R2.31 CC1CN(CCO1)Cc2ccccc2 269982a_100000729577_100000211182 [1,0,0,1,0,0|2,0,0]=4 10555 B15R2.31 CC1CN(CCO1)Cc2ccccc2 270004a_100000729577_100015611070 [1,0,0,1,0,0|2,0,0]=4 10556 B15R2.31 CC1CN(CCO1)Cc2ccccc2 34a_100000729577_100015291786 [1,0,0,1,0,0|2,0,0]=4 10557 B15R2.31 CN1CCCC(C1)Cc2ccccc2 2230a_100000752525_200000210301 [1,0,0,1,0,0|2,0,0]=4 10558 B15R2.31 CN1CCCC(C1)Cc2ccccc2 269982a_100000752525_200000210301 [1,0,0,1,0,0|2,0,0]=4 10559 B15R2.31 CN1CCCC(C1)Cc2ccccc2 34a_100000752525_200000210301 [1,0,0,1,0,0|2,0,0]=4 10560 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 2230a_100000717927_100015291786 [1,0,0,1,0,0|2,0,0]=4 10561 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 269982a_100000717927_100000211182 [1,0,0,1,0,0|2,0,0]=4 10562 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 270004a_100000717927_100015611070 [1,0,0,1,0,0|2,0,0]=4 10563 B15R2.31 C[C@H]1CCCN(C1)Cc2ccccc2 34a_100000717927_100015291786 [1,0,0,1,0,0|2,0,0]=4 10564 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 2230a_100000752525_200025704644 [1,0,0,1,0,0|2,0,0]=4 10565 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 269982a_100000752525_200025704644 [1,0,0,1,0,0|2,0,0]=4 10566 B15R2.31 [13CH3]N1CCCC(C1)Cc2ccccc2 34a_100000752525_200025704644 [1,0,0,1,0,0|2,0,0]=4 10567 B15R2.50 CCOC1CN(C1)Cc2ccccc2 269982a_100000732654_100000211182 [1,0,0,1,0,0|2,0,0]=4 10568 B15R2.50 CCOC1CN(C1)Cc2ccccc2 270004a_100000732654_100015611070 [1,0,0,1,0,0|2,0,0]=4 10569 B15R2.50 CCOC1CN(C1)Cc2ccccc2 34a_100000732654_100015291786 [1,0,0,1,0,0|2,0,0]=4 10570 B15R2.66 CCCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210303 [1,0,0,1,0,0|2,0,0]=4 10571 B15R2.66 CCCN1CCC(C1)c2ccccc2 269982a_100000747531_100000210303 [1,0,0,1,0,0|2,0,0]=4 10572 B15R2.66 CCCN1CCC(C1)c2ccccc2 34a_100000747531_100000210303 [1,0,0,1,0,0|2,0,0]=4 10573 B15R2.66 CCNC1CCC(C1)c2ccccc2 270004a_100015525214_100000750937 [1,0,0,1,0,0|2,0,0]=4 10574 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000737437_200000210301 [1,0,0,1,0,0|2,0,0]=4 10575 B15R2.73 CCCN(C)C1CCc2c1cccc2 2230a_100000747261_200000721974 [1,0,0,1,0,0|2,0,0]=4 10576 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000737437_200000210301 [1,0,0,1,0,0|2,0,0]=4 10577 B15R2.73 CCCN(C)C1CCc2c1cccc2 269982a_100000747261_200000721974 [1,0,0,1,0,0|2,0,0]=4 10578 B15R2.73 CCCN(C)C1CCc2c1cccc2 34a_100000737437_200000210301 [1,0,0,1,0,0|2,0,0]=4 10579 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 2230a_100000737437_200025704644 [1,0,0,1,0,0|2,0,0]=4 10580 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 269982a_100000737437_200025704644 [1,0,0,1,0,0|2,0,0]=4 10581 B15R2.73 CCCN([13CH3])C1CCc2c1cccc2 34a_100000737437_200025704644 [1,0,0,1,0,0|2,0,0]=4 10582 B15R2.548 CN1CCCC(CC1)c2ccccc2 2230a_100015185863_200000210301 [1,0,0,1,0,0|2,0,0]=4 10583 B15R2.548 CN1CCCC(CC1)c2ccccc2 269982a_100015185863_200000210301 [1,0,0,1,0,0|2,0,0]=4 10584 B15R2.548 CN1CCCC(CC1)c2ccccc2 34a_100015185863_200000210301 [1,0,0,1,0,0|2,0,0]=4 10585 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 2230a_100015185863_200025704644 [1,0,0,1,0,0|2,0,0]=4 10586 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 269982a_100015185863_200025704644 [1,0,0,1,0,0|2,0,0]=4 10587 B15R2.548 [13CH3]N1CCCC(CC1)c2ccccc2 34a_100015185863_200025704644 [1,0,0,1,0,0|2,0,0]=4 10588 B15R2.617 CC1CN(C1)CCCc2ccccc2 2230a_100000702820_100000211621 [1,0,0,1,0,0|2,0,0]=4 10589 B15R2.617 CC1CN(C1)CCCc2ccccc2 269982a_100000702820_100000211621 [1,0,0,1,0,0|2,0,0]=4 10590 B15R2.617 CC1CN(C1)CCCc2ccccc2 34a_100000702820_100000211621 [1,0,0,1,0,0|2,0,0]=4 10591 B15R2.617 FC1CC(C1)NCCc2ccccc2 2230a_100016993743_100000765856 [1,0,0,1,0,0|2,0,0]=4 10592 B15R2.617 O[C@H]1C[C@@H](C1)NCCc2ccccc2 2230a_100020629032_100000765856 [1,0,0,1,0,0|2,0,0]=4 10593 B15R2.1291 CCCN1CCCc2ccccc2C1 2230a_100000059810_100000210303 [1,0,0,1,0,0|2,0,0]=4 10594 B15R2.1291 CCCN1CCCc2ccccc2C1 269982a_100000059810_100000210303 [1,0,0,1,0,0|2,0,0]=4 10595 B15R2.1291 CCCN1CCCc2ccccc2C1 34a_100000059810_100000210303 [1,0,0,1,0,0|2,0,0]=4 10596 B15R2.7507 CC1(CCC1)CNCc2ccccc2 207a_100000706607_100015611070 [1,0,0,1,0,0|2,0,0]=4 10597 B15R2.7507 CC1(CCC1)CNCc2ccccc2 2230a_100000706607_100015291786 [1,0,0,1,0,0|2,0,0]=4 10598 B15R2.7507 CC1(CCC1)CNCc2ccccc2 2230a_100015324214_100000726658 [1,0,0,1,0,0|2,0,0]=4 10599 B15R2.7507 CC1(CCC1)CNCc2ccccc2 270004a_100000706607_100015611070 [1,0,0,1,0,0|2,0,0]=4 10600 B15R2.7507 CC1(CCC1)CNCc2ccccc2 34a_100015324214_100000726658 [1,0,0,1,0,0|2,0,0]=4 10601 B15R2.7507 CC1(CCC1)COCc2ccccc2 34a_100000210790_100000726658 [1,0,0,1,0,0|2,0,0]=4 10602 B15R2.7507 CC1(CCC1)COCc2ccccc2 7a_100000210790_100000726658 [1,0,0,1,0,0|2,0,0]=4 10603 B15R2.7507 CC1(CCC1)CSCc2ccccc2 62a_100000211182_100000726658 [1,0,0,1,0,0|2,0,0]=4 10604 B15R2.7507 CC1(CCC1)CSCc2ccccc2 62a_100000726658_100015291786 [1,0,0,1,0,0|2,0,0]=4 10605 B15R2.7507 CC1(CCC1)NCCc2ccccc2 2230a_100000692455_100000765856 [1,0,0,1,0,0|1,0,0]=3 10606 B15R2.7507 CC1(CCC1)NCCc2ccccc2 34a_100000692455_100000765856 [1,0,0,1,0,0|1,0,0]=3 10607 B15R2.7507 CC1(CCC1)NCCc2ccccn2 2230a_100000692455_100015183660 [1,0,0,1,0,0|2,0,0]=4 10608 B15R2.7507 CC1(CCC1)NCCc2cccnc2 2230a_100000692455_200011713674 [1,0,0,1,0,0|2,0,0]=4 10609 B15R2.7507 CC1(CCC1)NCCc2ccncc2 2230a_100000692455_100000723409 [1,0,0,1,0,0|2,0,0]=4 10610 B15R2.7507 CC1(CCC1)NCSc2ccccc2 2230a_100000692455_100011218342 [1,0,0,1,0,0|2,0,0]=4 10611 B15R2.7507 CC1(CCC1)OCCc2ccccc2 34a_100000759064_100000765856 [1,0,0,1,0,0|0,0,0]=2 10612 B15R2.7507 CC1(CCC1)OCCc2ccccc2 7a_100000759064_100000765856 [1,0,0,1,0,0|0,0,0]=2 10613 B15R2.7507 CC1(CCC1)OCCc2ccccn2 7a_100000759064_100015183660 [1,0,0,1,0,0|1,0,0]=3 10614 B15R2.7507 CC1(CCC1)OCCc2cccnc2 7a_100000759064_200011713674 [1,0,0,1,0,0|1,0,0]=3 10615 B15R2.7507 CC1(CCC1)OCCc2ccncc2 7a_100000759064_100000723409 [1,0,0,1,0,0|1,0,0]=3 10616 B15R2.7507 CC1(COC1)NCCc2ccccc2 2230a_100000732644_100000765856 [1,0,0,1,0,0|2,0,0]=4 10617 B15R2.7507 CC1(CSC1)OCCc2ccccc2 7a_100016018533_100000765856 [1,0,0,1,0,0|1,0,0]=3 10618 B15R2.7507 CC1(CSC1)OCCc2ccccn2 7a_100016018533_100015183660 [1,0,0,1,0,0|2,0,0]=4 10619 B15R2.7507 CC1(CSC1)OCCc2cccnc2 7a_100016018533_200011713674 [1,0,0,1,0,0|2,0,0]=4 10620 B15R2.7507 CC1(CSC1)OCCc2ccncc2 7a_100016018533_100000723409 [1,0,0,1,0,0|2,0,0]=4 10621 B15R2.16438 CC(NCCc1ccccc1)C2CC2 2230a_100000700016_100000765856 [1,0,0,1,0,0|1,0,0]=3 10622 B15R2.16438 CC(NCCc1ccccc1)C2CC2 269862a_100000106460_100000210639 [1,0,0,1,0,0|1,0,0]=3 10623 B15R2.16438 CC(NCCc1ccccc1)C2CC2 34a_100000700016_100000765856 [1,0,0,1,0,0|1,0,0]=3 10624 B15R2.16438 CC(NCCc1ccccc1)C2CO2 270004a_100000106460_100000031964 [1,0,0,1,0,0|2,0,0]=4 10625 B15R2.16438 CC(NCCc1ccccn1)C2CC2 2230a_100000700016_100015183660 [1,0,0,1,0,0|2,0,0]=4 10626 B15R2.16438 CC(NCCc1ccccn1)C2CC2 269862a_100000211156_100000210639 [1,0,0,1,0,0|2,0,0]=4 10627 B15R2.16438 CC(NCCc1cccnc1)C2CC2 2230a_100000700016_200011713674 [1,0,0,1,0,0|2,0,0]=4 10628 B15R2.16438 CC(NCCc1cccnc1)C2CC2 269862a_100000736294_100000210639 [1,0,0,1,0,0|2,0,0]=4 10629 B15R2.16438 CC(NCCc1ccncc1)C2CC2 2230a_100000700016_100000723409 [1,0,0,1,0,0|2,0,0]=4 10630 B15R2.16438 CC(NCCc1ccncc1)C2CC2 269862a_100000742849_100000210639 [1,0,0,1,0,0|2,0,0]=4 10631 B15R2.16438 CC(NCSc1ccccc1)C2CC2 2230a_100000700016_100011218342 [1,0,0,1,0,0|2,0,0]=4 10632 B15R2.16438 CC(OCCc1ccccc1)C2CC2 34a_100000744524_100000765856 [1,0,0,1,0,0|0,0,0]=2 10633 B15R2.16438 CC(OCCc1ccccc1)C2CC2 7a_100000744524_100000765856 [1,0,0,1,0,0|0,0,0]=2 10634 B15R2.16438 CC(OCCc1ccccn1)C2CC2 7a_100000744524_100015183660 [1,0,0,1,0,0|1,0,0]=3 10635 B15R2.16438 CC(OCCc1cccnc1)C2CC2 7a_100000744524_200011713674 [1,0,0,1,0,0|1,0,0]=3 10636 B15R2.16438 CC(OCCc1ccncc1)C2CC2 7a_100000744524_100000723409 [1,0,0,1,0,0|1,0,0]=3 10637 B15R2.16438 CN(CCCc1ccccc1)C2CC2 2230a_100000226674_100000211621 [1,0,0,1,0,0|2,0,0]=4 10638 B15R2.16438 CN(CCCc1ccccc1)C2CC2 269982a_100000226674_100000211621 [1,0,0,1,0,0|2,0,0]=4 10639 B15R2.16438 CN(CCCc1ccccc1)C2CC2 269982a_100000693637_100000211595 [1,0,0,1,0,0|2,0,0]=4 10640 B15R2.16857 CC1(CCCc2c1cccc2)OCF 34a_200011345745_100015361967 [1,0,0,1,0,0|2,0,0]=4 10641 B15R2.16857 CC1(CCCc2c1cccc2)OCF 7a_200011345745_100015361967 [1,0,0,1,0,0|2,0,0]=4 10642 B15R2.16857 CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000210202 [1,0,0,1,0,0|1,0,0]=3 10643 B15R2.16857 CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000210202 [1,0,0,1,0,0|1,0,0]=3 10644 B15R2.93174 C#CCC(C)OC1Cc2c1cccc2 7a_100000685586_100009813401 [1,0,0,1,0,0|0,0,2]=4 10645 B15R2.93174 C=CC[C@@H](C)OC1Cc2c1cccc2 7a_100000731007_100009813401 [1,0,0,1,0,0|0,0,2]=4 10646 B15R2.93174 CC(CCO)SC1Cc2c1cccc2 62a_100009813401_100009893172 [1,0,0,1,0,0|1,1,0]=4 10647 B15R2.93174 CC(CCO)SC1Cc2c1cccc2 62a_100009893172_100009813401 [1,0,0,1,0,0|1,1,0]=4 10648 B15R2.93174 CCCC(C)OC1Cc2c1cccc2 7a_100000764384_100009813401 [1,0,0,1,0,0|0,0,0]=2 10649 B15R2.93174 CCCC(C)SC1Cc2c1cccc2 62a_100000766640_100009813401 [1,0,0,1,0,0|0,1,0]=3 10650 B15R2.93174 CCCC(C)SC1Cc2c1cccc2 62a_100009813401_100000766640 [1,0,0,1,0,0|0,1,0]=3 10651 B15R2.93174 COCC(C)SC1Cc2c1cccc2 62a_100000765312_100009813401 [1,0,0,1,0,0|1,1,0]=4 10652 B15R2.93174 COCC(C)SC1Cc2c1cccc2 62a_100009813401_100000765312 [1,0,0,1,0,0|1,1,0]=4 10653 B15R2.86 CCCNC1CC(C1)c2ccccc2 270004a_100020643023_100000741317 [0,0,0,1,1,0|1,0,0]=3 10654 B15R2.86 CCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000210303 [0,0,0,1,1,0|1,0,0]=3 10655 B15R2.86 COCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000766300 [0,0,0,1,1,0|2,0,0]=4 10656 B15R2.86 CSCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011218213 [0,0,0,1,1,0|2,0,0]=4 10657 B15R2.86 FCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100011217306 [0,0,0,1,1,0|2,0,0]=4 10658 B15R2.86 OCCNC1CC(C1)c2ccccc2 270004a_100000210304_100000741317 [0,0,0,1,1,0|2,0,0]=4 10659 B15R2.86 OCCN[C@H]1C[C@H](C1)c2ccccc2 2230a_102125402554_100000211926 [0,0,0,1,1,0|2,0,0]=4 10660 B15R2.283 CC1CCC(C1)NCc2ccccc2 270004a_100015324214_100011215218 [0,0,0,1,1,0|2,0,0]=4 10661 B15R2.283 CC1CCC(C1)OCc2ccccc2 34a_100000698185_100015291786 [0,0,0,1,1,0|1,0,0]=3 10662 B15R2.283 CC1CCC(C1)OCc2ccccn2 34a_100000698185_100000721315 [0,0,0,1,1,0|2,0,0]=4 10663 B15R2.283 CC1CCC(C1)OCc2cccnc2 34a_100000698185_100000733263 [0,0,0,1,1,0|2,0,0]=4 10664 B15R2.283 CN1CCC(C1)OCc2ccccc2 2230a_100011290789_200000210301 [0,0,0,1,1,0|2,0,0]=4 10665 B15R2.283 CN1CCC(C1)OCc2ccccc2 269982a_100011290789_200000210301 [0,0,0,1,1,0|2,0,0]=4 10666 B15R2.283 CN1CCC(C1)OCc2ccccc2 34a_100011290789_200000210301 [0,0,0,1,1,0|2,0,0]=4 10667 B15R2.283 CN1CCC(C1)OCc2ccccc2 7a_100000210790_200012183744 [0,0,0,1,1,0|2,0,0]=4 10668 B15R2.283 C[C@@H]1CCN(C1)CCc2ccccc2 2230a_100016987628_100000765856 [0,0,0,1,1,0|2,0,0]=4 10669 B15R2.283 C[C@@H]1CCN(C1)CCc2ccccc2 269982a_100016987628_100000765856 [0,0,0,1,1,0|2,0,0]=4 10670 B15R2.283 C[C@@H]1CCN(C1)CCc2ccccc2 34a_100016987628_100000765856 [0,0,0,1,1,0|2,0,0]=4 10671 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 2230a_100011290789_200025704644 [0,0,0,1,1,0|2,0,0]=4 10672 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 269982a_100011290789_200025704644 [0,0,0,1,1,0|2,0,0]=4 10673 B15R2.283 [13CH3]N1CCC(C1)OCc2ccccc2 34a_100011290789_200025704644 [0,0,0,1,1,0|2,0,0]=4 10674 B15R2.352 C#CCOC1CCc2ccccc2C1 34a_100011216300_100000184674 [0,0,0,1,1,0|0,0,2]=4 10675 B15R2.352 C#CCOC1CCc2ccccc2C1 7a_100011216300_100000038162 [0,0,0,1,1,0|0,0,2]=4 10676 B15R2.352 C#CCOC1Cc2ccccc2CO1 34a_200000095866_100000184674 [0,0,0,1,1,0|0,0,2]=4 10677 B15R2.352 C=CCOC1CCc2ccccc2C1 34a_100011216300_100015514636 [0,0,0,1,1,0|0,0,2]=4 10678 B15R2.352 C=CCOC1CCc2ccccc2C1 7a_100011216300_100015514636 [0,0,0,1,1,0|0,0,2]=4 10679 B15R2.352 C=CCOC1Cc2ccccc2CO1 34a_200000095866_100015514636 [0,0,0,1,1,0|0,0,2]=4 10680 B15R2.352 CCCCN1CCc2ccccc2C1 2230a_100000188457_100000210211 [0,0,0,1,1,0|2,0,0]=4 10681 B15R2.352 CCCCN1CCc2ccccc2C1 269982a_100000188457_100000210211 [0,0,0,1,1,0|2,0,0]=4 10682 B15R2.352 CCCCN1CCc2ccccc2C1 34a_100000188457_100000210210 [0,0,0,1,1,0|2,0,0]=4 10683 B15R2.352 CCCNC1CCc2ccccc2C1 2230a_100000748446_100000210303 [0,0,0,1,1,0|1,0,0]=3 10684 B15R2.352 CCCNC1CCc2ccccc2C1 270004a_100020643023_100000212018 [0,0,0,1,1,0|1,0,0]=3 10685 B15R2.352 CCCNC1CCc2ccccc2C1 34a_100000748446_100000210303 [0,0,0,1,1,0|1,0,0]=3 10686 B15R2.352 CCCNC1COc2ccccc2C1 2230a_100000739546_100000210303 [0,0,0,1,1,0|2,0,0]=4 10687 B15R2.352 CCCNC1COc2ccccc2C1 270004a_100020643023_100000048293 [0,0,0,1,1,0|2,0,0]=4 10688 B15R2.352 CCCOC1CCc2ccccc2C1 34a_100011216300_100000210303 [0,0,0,1,1,0|0,0,0]=2 10689 B15R2.352 CCCOC1CCc2ccccc2C1 7a_100011216300_100000210303 [0,0,0,1,1,0|0,0,0]=2 10690 B15R2.352 CCCOC1Cc2ccccc2CO1 34a_200000095866_100000210303 [0,0,0,1,1,0|0,0,0]=2 10691 B15R2.352 COCNC1CCc2ccccc2C1 2230a_100000748446_100000766300 [0,0,0,1,1,0|2,0,0]=4 10692 B15R2.352 CSCNC1CCc2ccccc2C1 2230a_100000748446_100011218213 [0,0,0,1,1,0|2,0,0]=4 10693 B15R2.352 CSCNC1CCc2ccccc2C1 34a_100000748446_100011218213 [0,0,0,1,1,0|2,0,0]=4 10694 B15R2.352 CSCOC1CCc2ccccc2C1 34a_100011216300_100011218213 [0,0,0,1,1,0|1,0,0]=3 10695 B15R2.352 CSCOC1Cc2ccccc2CO1 34a_200000095866_100011218213 [0,0,0,1,1,0|1,0,0]=3 10696 B15R2.352 FCCNC1CCc2ccccc2C1 2230a_100000748446_100011217306 [0,0,0,1,1,0|2,0,0]=4 10697 B15R2.352 FCCNC1CCc2ccccc2C1 34a_100000748446_100011217306 [0,0,0,1,1,0|2,0,0]=4 10698 B15R2.352 FCCOC1CCc2ccccc2C1 34a_100011216300_100011217306 [0,0,0,1,1,0|1,0,0]=3 10699 B15R2.352 FCCOC1CCc2ccccc2C1 7a_100011216300_100011217306 [0,0,0,1,1,0|1,0,0]=3 10700 B15R2.352 FCCOC1Cc2ccccc2CO1 34a_200000095866_100011217306 [0,0,0,1,1,0|1,0,0]=3 10701 B15R2.352 N#CCOC1CCc2ccccc2C1 7a_100011216300_100011215382 [0,0,0,1,1,0|1,0,1]=4 10702 B15R2.352 O=CCOC1CCc2ccccc2C1 34a_100011216300_200009817547 [0,0,0,1,1,0|1,0,1]=4 10703 B15R2.352 O=CCOC1CCc2ccccc2C1 7a_100011216300_200015260668 [0,0,0,1,1,0|1,0,1]=4 10704 B15R2.352 O=CCOC1Cc2ccccc2CO1 34a_200000095866_200009817547 [0,0,0,1,1,0|1,0,1]=4 10705 B15R2.352 OCCNC1CCc2ccccc2C1 2230a_100000748446_100000211926 [0,0,0,1,1,0|2,0,0]=4 10706 B15R2.352 OCCNC1CCc2ccccc2C1 270004a_100000210304_100000212018 [0,0,0,1,1,0|2,0,0]=4 10707 B15R2.352 OCCNC1CCc2ccccc2C1 34a_100000748446_100000211926 [0,0,0,1,1,0|2,0,0]=4 10708 B15R2.352 OCCOC1CCc2ccccc2C1 34a_100011216300_100000211926 [0,0,0,1,1,0|1,0,0]=3 10709 B15R2.352 OCCOC1CCc2ccccc2C1 7a_100011216300_100000211926 [0,0,0,1,1,0|1,0,0]=3 10710 B15R2.352 OCCOC1Cc2ccccc2CO1 34a_200000095866_100000211926 [0,0,0,1,1,0|1,0,0]=3 10711 B15R2.355 CC1CCC(N1Cc2ccccc2)C 2230a_100000687148_100015291786 [0,0,0,1,1,0|2,0,0]=4 10712 B15R2.355 CC1CCC(N1Cc2ccccc2)C 269982a_100000687148_100000211182 [0,0,0,1,1,0|2,0,0]=4 10713 B15R2.355 CC1CCC(N1Cc2ccccc2)C 34a_100000687148_100015291786 [0,0,0,1,1,0|2,0,0]=4 10714 B15R2.1995 CCC1CN(C1)CCc2ccccc2 2230a_100015205115_100000765856 [0,0,0,1,1,0|2,0,0]=4 10715 B15R2.1995 CCC1CN(C1)CCc2ccccc2 269982a_100015205115_100000765856 [0,0,0,1,1,0|2,0,0]=4 10716 B15R2.1995 CCN1CC(C1)OCc2ccccc2 269982a_100000692158_100000204670 [0,0,0,1,1,0|2,0,0]=4 10717 B15R2.1995 CCN1CC(C1)OCc2ccccc2 34a_100000692158_100000210202 [0,0,0,1,1,0|2,0,0]=4 10718 B15R2.1995 CNC1CC(C1)OCc2ccccc2 2230a_106832991635_100012470880 [0,0,0,1,1,0|2,0,0]=4 10719 B15R2.1995 CNC1CC(C1)OCc2ccccc2 270004a_106832991635_100000766647 [0,0,0,1,1,0|2,0,0]=4 10720 B15R2.1995 CNC1CC(C1)OCc2ccccc2 34a_100102657272_100012470880 [0,0,0,1,1,0|2,0,0]=4 10721 B15R2.1995 CNC1CC(C1)OCc2ccccc2 7a_106832991635_100012470880 [0,0,0,1,1,0|2,0,0]=4 10722 B15R2.1995 CN[C@H]1C[C@@H](C1)OCc2ccccc2 2230a_100015959148_200000210301 [0,0,0,1,1,0|2,0,0]=4 10723 B15R2.1995 COC1CC(C1)OCc2ccccc2 34a_100138415774_100012470880 [0,0,0,1,1,0|2,0,0]=4 10724 B15R2.1995 CO[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_200000210301 [0,0,0,1,1,0|2,0,0]=4 10725 B15R2.1995 CSC1CC(C1)OCc2ccccc2 62a_100012470880_200000210301 [0,0,0,1,1,0|2,0,0]=4 10726 B15R2.1995 CSC1CC(C1)OCc2ccccc2 62a_200000210301_100012470880 [0,0,0,1,1,0|2,0,0]=4 10727 B15R2.1995 [13CH3]N[C@H]1C[C@@H](C1)OCc2ccccc2 2230a_100015959148_200025704644 [0,0,0,1,1,0|2,0,0]=4 10728 B15R2.1995 [13CH3]O[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_200025704644 [0,0,0,1,1,0|2,0,0]=4 10729 B15R2.1995 [13CH3]SC1CC(C1)OCc2ccccc2 62a_100012470880_200025704644 [0,0,0,1,1,0|2,0,0]=4 10730 B15R2.1995 [13CH3]SC1CC(C1)OCc2ccccc2 62a_200025704644_100012470880 [0,0,0,1,1,0|2,0,0]=4 10731 B15R2.8863 CC1(CCCC1)OCc2ccccc2 34a_100000751722_100015291786 [0,0,0,1,1,0|1,0,0]=3 10732 B15R2.8863 CC1(CCCC1)OCc2ccccc2 7a_100000751722_100000211182 [0,0,0,1,1,0|1,0,0]=3 10733 B15R2.8863 CC1(CCCC1)OCc2ccccn2 34a_100000751722_100000721315 [0,0,0,1,1,0|2,0,0]=4 10734 B15R2.8863 CC1(CCCC1)OCc2ccccn2 7a_100000751722_100000721315 [0,0,0,1,1,0|2,0,0]=4 10735 B15R2.8863 CC1(CCCC1)OCc2cccnc2 34a_100000751722_100000733263 [0,0,0,1,1,0|2,0,0]=4 10736 B15R2.8863 CC1(CCCC1)OCc2cccnc2 7a_100000751722_100000741622 [0,0,0,1,1,0|2,0,0]=4 10737 B15R2.8863 CC1(CCCC1)OCc2ccncc2 7a_100000751722_100015193705 [0,0,0,1,1,0|2,0,0]=4 10738 B15R2.8863 CC1(OCCO1)CSc2ccccc2 62a_100000719477_100009818610 [0,0,0,1,1,0|2,0,0]=4 10739 B15R2.8863 CC1(OCCO1)CSc2ccccc2 62a_100009818610_100000041952 [0,0,0,1,1,0|2,0,0]=4 10740 B15R2.9941 CCNC1c2ccccc2CCC1C 269862a_100015525214_100000696181 [0,0,0,1,1,0|2,0,0]=4 10741 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 34a_100000685031_100000184674 [0,0,0,1,1,0|0,0,2]=4 10742 B15R2.19653 C#CCOC1(CCc2c1cccc2)C 7a_100000685031_100000038162 [0,0,0,1,1,0|0,0,2]=4 10743 B15R2.19653 C=CCOC1(CCc2c1cccc2)C 34a_100000685031_100015514636 [0,0,0,1,1,0|0,0,2]=4 10744 B15R2.19653 C=CCOC1(CCc2c1cccc2)C 7a_100000685031_100015514636 [0,0,0,1,1,0|0,0,2]=4 10745 B15R2.19653 CC1(CCc2c1cccc2)OCC#N 7a_100000685031_100011215382 [0,0,0,1,1,0|1,0,1]=4 10746 B15R2.19653 CC1(CCc2c1cccc2)OCC=O 34a_100000685031_200009817547 [0,0,0,1,1,0|1,0,1]=4 10747 B15R2.19653 CC1(CCc2c1cccc2)OCC=O 7a_100000685031_200015260668 [0,0,0,1,1,0|1,0,1]=4 10748 B15R2.19653 CC1(CCc2c1cccc2)OCCF 34a_100000685031_100011217306 [0,0,0,1,1,0|1,0,0]=3 10749 B15R2.19653 CC1(CCc2c1cccc2)OCCF 7a_100000685031_100011217306 [0,0,0,1,1,0|1,0,0]=3 10750 B15R2.19653 CC1(CCc2c1cccc2)OCCO 34a_100000685031_100000211926 [0,0,0,1,1,0|1,0,0]=3 10751 B15R2.19653 CC1(CCc2c1cccc2)OCCO 7a_100000685031_100000211926 [0,0,0,1,1,0|1,0,0]=3 10752 B15R2.19653 CCCOC1(CCc2c1cccc2)C 34a_100000685031_100000210303 [0,0,0,1,1,0|0,0,0]=2 10753 B15R2.19653 CCCOC1(CCc2c1cccc2)C 7a_100000685031_100000210303 [0,0,0,1,1,0|0,0,0]=2 10754 B15R2.19653 CSCOC1(CCc2c1cccc2)C 34a_100000685031_100011218213 [0,0,0,1,1,0|1,0,0]=3 10755 B15R2.24490 CC(NCc1ccccc1)C2CCC2 207a_100016994624_100015611070 [0,0,0,1,1,0|2,0,0]=4 10756 B15R2.24490 CC(NCc1ccccc1)C2CCC2 2230a_100016994624_100015291786 [0,0,0,1,1,0|2,0,0]=4 10757 B15R2.24490 CC(NCc1ccccc1)C2CCC2 269862a_100015324214_100000760154 [0,0,0,1,1,0|2,0,0]=4 10758 B15R2.24490 CC(NCc1ccccc1)C2CCC2 270004a_100016994624_100015611070 [0,0,0,1,1,0|2,0,0]=4 10759 B15R2.24490 CC(NCc1ccccc1)C2CCC2 34a_100016994624_100015291786 [0,0,0,1,1,0|2,0,0]=4 10760 B15R2.24490 CC(OCc1ccccc1)C2CCC2 34a_100000766398_100015291786 [0,0,0,1,1,0|1,0,0]=3 10761 B15R2.24490 CC(OCc1ccccc1)C2CCC2 7a_100000766398_100000211182 [0,0,0,1,1,0|1,0,0]=3 10762 B15R2.24490 CC(OCc1ccccn1)C2CCC2 34a_100000766398_100000721315 [0,0,0,1,1,0|2,0,0]=4 10763 B15R2.24490 CC(OCc1ccccn1)C2CCC2 7a_100000766398_100000721315 [0,0,0,1,1,0|2,0,0]=4 10764 B15R2.24490 CC(OCc1cccnc1)C2CCC2 34a_100000766398_100000733263 [0,0,0,1,1,0|2,0,0]=4 10765 B15R2.24490 CC(OCc1cccnc1)C2CCC2 7a_100000766398_100000741622 [0,0,0,1,1,0|2,0,0]=4 10766 B15R2.24490 CC(OCc1ccncc1)C2CCC2 7a_100000766398_100015193705 [0,0,0,1,1,0|2,0,0]=4 10767 B15R2.24490 CN(CCc1ccccc1)C2CCC2 2230a_100000758072_100000765856 [0,0,0,1,1,0|2,0,0]=4 10768 B15R2.24490 CN(CCc1ccccc1)C2CCC2 269982a_100000207497_100000749161 [0,0,0,1,1,0|2,0,0]=4 10769 B15R2.24490 CN(CCc1ccccc1)C2CCC2 269982a_100000758072_100000765856 [0,0,0,1,1,0|2,0,0]=4 10770 B15R2.24490 CN(CCc1ccccc1)C2CCC2 270004a_100000207497_100000241760 [0,0,0,1,1,0|2,0,0]=4 10771 B15R2.24490 CN(CCc1ccccc1)C2CCC2 34a_100000758072_100000765856 [0,0,0,1,1,0|2,0,0]=4 10772 B15R2.24494 CC(C#Cc1ccccc1)OC2CC2 34a_200000065209_100000211595 [0,0,0,1,1,0|0,0,2]=4 10773 B15R2.24494 CC(CC1CC1)NCc2ccccc2 270004a_100015324214_200000686933 [0,0,0,1,1,0|2,0,0]=4 10774 B15R2.24494 CC(CCc1ccccc1)NC2CC2 34a_100000210798_100000211595 [0,0,0,1,1,0|1,0,0]=3 10775 B15R2.24494 CC(COc1ccccc1)NC2CC2 34a_100000746794_100000211595 [0,0,0,1,1,0|2,0,0]=4 10776 B15R2.24494 CC(COc1ccccc1)OC2CC2 34a_100000210911_100000211595 [0,0,0,1,1,0|1,0,0]=3 10777 B15R2.24494 CN(CCc1ccccc1)CC2CC2 2230a_100000207497_100000742324 [0,0,0,1,1,0|2,0,0]=4 10778 B15R2.24494 CN(CCc1ccccc1)CC2CC2 2230a_100000741881_100000765856 [0,0,0,1,1,0|2,0,0]=4 10779 B15R2.24494 CN(CCc1ccccc1)CC2CC2 269982a_100000207497_100000756562 [0,0,0,1,1,0|2,0,0]=4 10780 B15R2.24494 CN(CCc1ccccc1)CC2CC2 269982a_100000741881_100000765856 [0,0,0,1,1,0|2,0,0]=4 10781 B15R2.24494 C[C@@H](CCc1ccccc1)OC2CC2 34a_100009815974_100000211595 [0,0,0,1,1,0|0,0,0]=2 10782 B15R2.92869 CCCCN(C)C1Cc2c1cccc2 269982a_100000207549_100009813401 [0,0,0,1,1,0|2,0,0]=4 10783 B15R2.286 CC1CCC(C1)OCCc2cccs2 34a_100000698185_100000748579 [0,0,0,1,1,0|2,0,0]=4 10784 B15R2.8865 CC1(CCCC1)OCCc2cccs2 34a_100000751722_100000748579 [0,0,0,1,1,0|2,0,0]=4 10785 B15R2.8865 CC1(CCCC1)OCCc2cccs2 7a_100000751722_100000748579 [0,0,0,1,1,0|2,0,0]=4 10786 B15R2.8865 CC1(CCCC1)OCCn2cccc2 7a_100000751722_200000035178 [0,0,0,1,1,0|2,0,0]=4 10787 B15R2.163937 CC(OCCc1cccs1)C2CCC2 34a_100000766398_100000748579 [0,0,0,1,1,0|2,0,0]=4 10788 B15R2.163937 CC(OCCc1cccs1)C2CCC2 7a_100000766398_100000748579 [0,0,0,1,1,0|2,0,0]=4 10789 B15R2.163937 CC(OCCn1cccc1)C2CCC2 7a_100000766398_200000035178 [0,0,0,1,1,0|2,0,0]=4 10790 B17R2.5 CCCCC(C)NC1CCc2c1cccc2 2230a_100000126638_200000721974 [0,0,0,1,0,1|2,0,0]=4 10791 B17R2.5 CCCCC(C)NC1CCc2c1cccc2 269862a_100000126638_100000212051 [0,0,0,1,0,1|2,0,0]=4 10792 B17R2.5 CCCCC(C)NC1COc2c1cccc2 2230a_100000747519_200011215066 [0,0,0,1,0,1|2,0,0]=4 10793 B17R2.5 CCCCC(C)NC1COc2c1cccc2 270004a_100000747519_100000210087 [0,0,0,1,0,1|2,0,0]=4 10794 B17R2.5 CCCCC(C)N[C@H]1CCc2c1cccc2 2230a_100016989578_200011215066 [0,0,0,1,0,1|2,0,0]=4 10795 B17R2.5 CCCCC(C)N[C@H]1CCc2c1cccc2 270004a_100016989578_100000210087 [0,0,0,1,0,1|2,0,0]=4 10796 B17R2.5 CCCCC(C)N[C@H]1CCc2c1cccc2 34a_100016989578_200011215066 [0,0,0,1,0,1|2,0,0]=4 10797 B17R2.5 CCCCC(C)OC1CCc2c1cccc2 34a_100000212247_200011215066 [0,0,0,1,0,1|1,0,0]=3 10798 B17R2.5 CCCCC(C)OC1CCc2c1cccc2 7a_100000212247_200011215066 [0,0,0,1,0,1|1,0,0]=3 10799 B17R2.5 CCCCC(C)SC1CCc2c1cccc2 62a_200011215066_200000721974 [0,0,0,1,0,1|1,1,0]=4 10800 B17R2.236 CCCSC1CCN(C1)Cc2ccccc2 62a_100000210303_200011861550 [0,0,0,1,0,1|1,1,0]=4 10801 B17R2.238 CCCNC1CCCC(C1)c2ccccc2 270004a_100020643023_100000718469 [0,0,0,1,0,1|2,0,0]=4 10802 B17R2.238 CCCNC1CCOC(C1)c2ccccc2 270004a_100020643023_100011986434 [0,0,0,1,0,1|2,0,0]=4 10803 B17R2.238 CCCOC1CCOC(C1)c2ccccc2 34a_100000692292_100000210303 [0,0,0,1,0,1|1,0,0]=3 10804 B17R2.238 CCCOC1CCOC(C1)c2ccccc2 7a_100000692292_100000210303 [0,0,0,1,0,1|1,0,0]=3 10805 B17R2.238 CCNC[C@H]1CN(CCO1)c2ccccc2 2230a_100116210242_100000210202 [0,0,0,1,0,1|2,0,0]=4 10806 B17R2.238 CCNC[C@H]1CN(CCO1)c2ccccc2 34a_100116210242_100000210202 [0,0,0,1,0,1|2,0,0]=4 10807 B17R2.238 CSCOC1CCOC(C1)c2ccccc2 34a_100000692292_100011218213 [0,0,0,1,0,1|2,0,0]=4 10808 B17R2.238 FCCOC1CCOC(C1)c2ccccc2 34a_100000692292_100011217306 [0,0,0,1,0,1|2,0,0]=4 10809 B17R2.238 FCCOC1CCOC(C1)c2ccccc2 7a_100000692292_100011217306 [0,0,0,1,0,1|2,0,0]=4 10810 B17R2.238 OCCOC1CCOC(C1)c2ccccc2 34a_100000692292_100000211926 [0,0,0,1,0,1|2,0,0]=4 10811 B17R2.238 OCCOC1CCOC(C1)c2ccccc2 7a_100000692292_100000211926 [0,0,0,1,0,1|2,0,0]=4 10812 B17R2.2060 CCCCC(C)N1C[C@@H]1Cc2ccccc2 2230a_100016998360_200011215066 [0,0,0,1,0,1|2,0,0]=4 10813 B17R2.2060 CCCCC(C)N1C[C@@H]1Cc2ccccc2 269982a_100016998360_200011215066 [0,0,0,1,0,1|2,0,0]=4 10814 B17R2.2060 CCCCC(C)N1C[C@@H]1Cc2ccccc2 270004a_100016998360_100000210087 [0,0,0,1,0,1|2,0,0]=4 10815 B17R2.2060 CCCCC(C)N1C[C@@H]1Cc2ccccc2 34a_100016998360_200011215066 [0,0,0,1,0,1|2,0,0]=4 10816 B17R2.2103 CCCCC(C)N1CCC1c2ccccc2 2230a_100000739605_200011215066 [0,0,0,1,0,1|2,0,0]=4 10817 B17R2.2103 CCCCC(C)N1CCC1c2ccccc2 269982a_100000739605_200011215066 [0,0,0,1,0,1|2,0,0]=4 10818 B17R2.2103 CCCCC(C)N1CCC1c2ccccc2 270004a_100000739605_100000210087 [0,0,0,1,0,1|2,0,0]=4 10819 B17R2.2127 CCCCC(C)N[C@H]1C[C@@H]1c2ccccc2 2230a_100020588832_200011215066 [0,0,0,1,0,1|2,0,0]=4 10820 B17R2.2127 CCCCC(C)N[C@H]1C[C@@H]1c2ccccc2 34a_100020588832_200011215066 [0,0,0,1,0,1|2,0,0]=4 10821 B17R2.2382 C(#Cc1ccccc1)COC2CCCCC2 34a_100000210231_100011352542 [0,0,0,1,0,1|1,0,1]=4 10822 B17R2.2382 C(#Cc1ccccc1)COC2CCCCC2 34a_100011217464_100000210327 [0,0,0,1,0,1|1,0,1]=4 10823 B17R2.2382 C(#Cc1ccccc1)COC2CCCCC2 7a_100000210231_100011352542 [0,0,0,1,0,1|1,0,1]=4 10824 B17R2.2382 C(#Cc1ccccc1)COC2CCCCC2 7a_100011217464_100000210327 [0,0,0,1,0,1|1,0,1]=4 10825 B17R2.2382 C(#Cc1ccccc1)COC2CCCCO2 34a_100000033831_100011352542 [0,0,0,1,0,1|0,0,1]=3 10826 B17R2.2382 C(=C/c1ccccc1)\COC2CCCCC2 34a_100000210231_100016265936 [0,0,0,1,0,1|1,0,1]=4 10827 B17R2.2382 C(=C/c1ccccc1)\COC2CCCCC2 34a_100000210256_100000210327 [0,0,0,1,0,1|1,0,1]=4 10828 B17R2.2382 C(=C/c1ccccc1)\COC2CCCCC2 7a_100000210231_100016265936 [0,0,0,1,0,1|1,0,1]=4 10829 B17R2.2382 C(=C/c1ccccc1)\COC2CCCCO2 34a_100000033831_100016265936 [0,0,0,1,0,1|0,0,1]=3 10830 B17R2.2382 C1=CC(CCC1)OCCCc2ccccc2 34a_100011215024_100000211621 [0,0,0,1,0,1|1,0,1]=4 10831 B17R2.2382 C1=CC(CCC1)OCCCc2ccccc2 7a_100000210828_100000751183 [0,0,0,1,0,1|1,0,1]=4 10832 B17R2.2382 C1=CC(CCC1)OCCOc2ccccc2 34a_100011215024_100000184471 [0,0,0,1,0,1|1,0,1]=4 10833 B17R2.2382 C1=CC(CCC1)OCCOc2ccccc2 7a_100000210260_100000751183 [0,0,0,1,0,1|1,0,1]=4 10834 B17R2.2382 C1=CC(CCC1)OCCSc2ccccc2 34a_100011215024_100000246102 [0,0,0,1,0,1|1,0,1]=4 10835 B17R2.2382 C1=CC(CCC1)OCCSc2ccccc2 7a_100000230494_100000751183 [0,0,0,1,0,1|1,0,1]=4 10836 B17R2.2382 C1=CC(CCC1)OCOCc2ccccc2 34a_100011215024_100000763385 [0,0,0,1,0,1|1,0,1]=4 10837 B17R2.2382 C1=CC(CCC1)OCSCc2ccccc2 34a_100011215024_200011217039 [0,0,0,1,0,1|1,0,1]=4 10838 B17R2.2382 C1=COC(CC1)COCCc2ccccc2 34a_100011217868_100000765856 [0,0,0,1,0,1|0,0,2]=4 10839 B17R2.2382 c1cc(ccn1)CCCOC2CCCCC2 34a_100000210659_100000210327 [0,0,0,1,0,1|2,0,0]=4 10840 B17R2.2382 c1cc(ccn1)CCNCC2CCCCO2 2230a_100000174945_100000723409 [0,0,0,1,0,1|2,0,0]=4 10841 B17R2.2382 c1cc(ccn1)CCOCC2CCCCC2 34a_100011216225_100000211423 [0,0,0,1,0,1|2,0,0]=4 10842 B17R2.2382 c1cc(ccn1)CCOCC2CCCCC2 7a_100000212181_100000723409 [0,0,0,1,0,1|2,0,0]=4 10843 B17R2.2382 c1cc(ccn1)CCOCC2CCCCO2 34a_100011216225_100000211543 [0,0,0,1,0,1|1,0,0]=3 10844 B17R2.2382 c1cc(ccn1)CCOCC2CCCCO2 7a_100000211370_100000723409 [0,0,0,1,0,1|1,0,0]=3 10845 B17R2.2382 c1cc(ccn1)CCSCC2CCCCO2 62a_100000211543_100000723409 [0,0,0,1,0,1|1,1,0]=4 10846 B17R2.2382 c1cc(ccn1)CCSCC2CCCCO2 62a_100000723409_100000211543 [0,0,0,1,0,1|1,1,0]=4 10847 B17R2.2382 c1cc(ccn1)CNCCC2CCCCO2 207a_100015183643_100000186114 [0,0,0,1,0,1|2,0,0]=4 10848 B17R2.2382 c1cc(ccn1)CNCCC2CCCCO2 2230a_100015183643_100015193705 [0,0,0,1,0,1|2,0,0]=4 10849 B17R2.2382 c1cc(ccn1)CSCOC2CCCCC2 62a_100011935260_100015193705 [0,0,0,1,0,1|2,0,0]=4 10850 B17R2.2382 c1cc(ccn1)CSCOC2CCCCC2 62a_100015193705_100011935260 [0,0,0,1,0,1|2,0,0]=4 10851 B17R2.2382 c1cc(ccn1)NCCOC2CCCCC2 34a_200011243140_100000210327 [0,0,0,1,0,1|2,0,0]=4 10852 B17R2.2382 c1cc(ccn1)OCCOC2CCCCC2 34a_100000212176_100011211530 [0,0,0,1,0,1|2,0,0]=4 10853 B17R2.2382 c1cc(ccn1)OCCOC2CCCCO2 34a_100000212176_100000744793 [0,0,0,1,0,1|1,0,0]=3 10854 B17R2.2382 c1cc(ccn1)SCCOC2CCCCC2 62a_100000728582_100011211530 [0,0,0,1,0,1|2,0,0]=4 10855 B17R2.2382 c1cc(ccn1)SCCOC2CCCCC2 62a_100011211530_100000728582 [0,0,0,1,0,1|2,0,0]=4 10856 B17R2.2382 c1cc(ccn1)SCCOC2CCCCO2 62a_100000728582_100000744793 [0,0,0,1,0,1|1,0,0]=3 10857 B17R2.2382 c1cc(ccn1)SCCOC2CCCCO2 62a_100000744793_100000728582 [0,0,0,1,0,1|1,0,0]=3 10858 B17R2.2382 c1cc(cnn1)OCCOC2CCCCO2 34a_100015204005_100000744793 [0,0,0,1,0,1|2,0,0]=4 10859 B17R2.2382 c1cc(cnn1)SCCOC2CCCCO2 62a_100000732662_100000744793 [0,0,0,1,0,1|2,0,0]=4 10860 B17R2.2382 c1cc(cnn1)SCCOC2CCCCO2 62a_100000744793_100000732662 [0,0,0,1,0,1|2,0,0]=4 10861 B17R2.2382 c1cc(ncn1)SCCOC2CCCCO2 62a_100000703185_100000744793 [0,0,0,1,0,1|2,0,0]=4 10862 B17R2.2382 c1cc(ncn1)SCCOC2CCCCO2 62a_100000744793_100000703185 [0,0,0,1,0,1|2,0,0]=4 10863 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 2230a_100000182618_100000211621 [0,0,0,1,0,1|2,0,0]=4 10864 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 270004a_100000211184_100000210434 [0,0,0,1,0,1|2,0,0]=4 10865 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000182618_100000211621 [0,0,0,1,0,1|2,0,0]=4 10866 B17R2.2382 c1ccc(cc1)CCCNC2CCCCC2 34a_100000211184_100000210327 [0,0,0,1,0,1|2,0,0]=4 10867 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210231_100000211621 [0,0,0,1,0,1|1,0,0]=3 10868 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 34a_100000210828_100000210327 [0,0,0,1,0,1|1,0,0]=3 10869 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210231_100000211621 [0,0,0,1,0,1|1,0,0]=3 10870 B17R2.2382 c1ccc(cc1)CCCOC2CCCCC2 7a_100000210828_100000210327 [0,0,0,1,0,1|1,0,0]=3 10871 B17R2.2382 c1ccc(cc1)CCCOC2CCCCO2 34a_100000033831_100000211621 [0,0,0,1,0,1|0,0,0]=2 10872 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 34a_100000210828_100000693364 [0,0,0,1,0,1|2,0,0]=4 10873 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 34a_100000754041_100000211621 [0,0,0,1,0,1|2,0,0]=4 10874 B17R2.2382 c1ccc(cc1)CCCOC2CCCOC2 7a_100000210828_100000693364 [0,0,0,1,0,1|2,0,0]=4 10875 B17R2.2382 c1ccc(cc1)CCCOC2CCCSC2 7a_100015962668_100000211621 [0,0,0,1,0,1|2,0,0]=4 10876 B17R2.2382 c1ccc(cc1)CCCOC2CCOCC2 34a_100000744328_100000211621 [0,0,0,1,0,1|2,0,0]=4 10877 B17R2.2382 c1ccc(cc1)CCCOC2CCOCC2 7a_100000210828_100000686592 [0,0,0,1,0,1|2,0,0]=4 10878 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 34a_100000210828_100000069128 [0,0,0,1,0,1|2,0,0]=4 10879 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 34a_100000731022_100000211621 [0,0,0,1,0,1|2,0,0]=4 10880 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 7a_100000210828_100011500858 [0,0,0,1,0,1|2,0,0]=4 10881 B17R2.2382 c1ccc(cc1)CCCOC2CCSCC2 7a_100000731022_100000211621 [0,0,0,1,0,1|2,0,0]=4 10882 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000210327_100000211621 [0,0,0,1,0,1|1,1,0]=4 10883 B17R2.2382 c1ccc(cc1)CCCSC2CCCCC2 62a_100000211621_100000210327 [0,0,0,1,0,1|1,1,0]=4 10884 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 2230a_100000106460_100000211423 [0,0,0,1,0,1|2,0,0]=4 10885 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 2230a_100000210473_100000765856 [0,0,0,1,0,1|2,0,0]=4 10886 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 269862a_100000106460_100000211278 [0,0,0,1,0,1|2,0,0]=4 10887 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 34a_100000106460_100000211423 [0,0,0,1,0,1|2,0,0]=4 10888 B17R2.2382 c1ccc(cc1)CCNCC2CCCCC2 34a_100000210473_100000765856 [0,0,0,1,0,1|2,0,0]=4 10889 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 2230a_100000106460_100000211543 [0,0,0,1,0,1|1,0,0]=3 10890 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 2230a_100000174945_100000765856 [0,0,0,1,0,1|1,0,0]=3 10891 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 34a_100000106460_100000211543 [0,0,0,1,0,1|1,0,0]=3 10892 B17R2.2382 c1ccc(cc1)CCNCC2CCCCO2 34a_100000174945_100000765856 [0,0,0,1,0,1|1,0,0]=3 10893 B17R2.2382 c1ccc(cc1)CCNC[C@H]2COCCO2 2230a_100010981119_100000765856 [0,0,0,1,0,1|2,0,0]=4 10894 B17R2.2382 c1ccc(cc1)CCNC[C@H]2COCCO2 34a_100010981119_100000765856 [0,0,0,1,0,1|2,0,0]=4 10895 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 34a_100000210268_100000211423 [0,0,0,1,0,1|1,0,0]=3 10896 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 34a_100000212181_100000765856 [0,0,0,1,0,1|1,0,0]=3 10897 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 7a_100000210268_100000211423 [0,0,0,1,0,1|1,0,0]=3 10898 B17R2.2382 c1ccc(cc1)CCOCC2CCCCC2 7a_100000212181_100000765856 [0,0,0,1,0,1|1,0,0]=3 10899 B17R2.2382 c1ccc(cc1)CCOCC2CCCCN2 34a_100000210821_100000765856 [0,0,0,1,0,1|1,0,0]=3 10900 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 34a_100000210268_100000211543 [0,0,0,1,0,1|0,0,0]=2 10901 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 34a_100000211370_100000765856 [0,0,0,1,0,1|0,0,0]=2 10902 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 7a_100000210268_100000211543 [0,0,0,1,0,1|0,0,0]=2 10903 B17R2.2382 c1ccc(cc1)CCOCC2CCCCO2 7a_100000211370_100000765856 [0,0,0,1,0,1|0,0,0]=2 10904 B17R2.2382 c1ccc(cc1)CCOCC2CCCNC2 34a_100000211344_100000765856 [0,0,0,1,0,1|2,0,0]=4 10905 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 34a_100000210268_100000741521 [0,0,0,1,0,1|2,0,0]=4 10906 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 34a_100000741520_100000765856 [0,0,0,1,0,1|2,0,0]=4 10907 B17R2.2382 c1ccc(cc1)CCOCC2CCCOC2 7a_100000210268_100000741521 [0,0,0,1,0,1|2,0,0]=4 10908 B17R2.2382 c1ccc(cc1)CCOCC2CCNCC2 34a_100000738675_100000765856 [0,0,0,1,0,1|2,0,0]=4 10909 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 34a_100000210268_100000754603 [0,0,0,1,0,1|2,0,0]=4 10910 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 34a_100000749013_100000765856 [0,0,0,1,0,1|2,0,0]=4 10911 B17R2.2382 c1ccc(cc1)CCOCC2CCOCC2 7a_100000210268_100000754603 [0,0,0,1,0,1|2,0,0]=4 10912 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 34a_100000070558_100000765856 [0,0,0,1,0,1|2,0,0]=4 10913 B17R2.2382 c1ccc(cc1)CCOCC2CCSCC2 7a_100000070558_100000765856 [0,0,0,1,0,1|2,0,0]=4 10914 B17R2.2382 c1ccc(cc1)CCOC[C@@H]2CNCCO2 34a_100015189573_100000765856 [0,0,0,1,0,1|1,0,0]=3 10915 B17R2.2382 c1ccc(cc1)CCOC[C@@H]2COCCN2 34a_100000717676_100000765856 [0,0,0,1,0,1|2,0,0]=4 10916 B17R2.2382 c1ccc(cc1)CCOC[C@H]2COCCO2 34a_100009875890_100000765856 [0,0,0,1,0,1|1,0,0]=3 10917 B17R2.2382 c1ccc(cc1)CCSCC2CCCCC2 62a_100000211423_100011218657 [0,0,0,1,0,1|1,1,0]=4 10918 B17R2.2382 c1ccc(cc1)CCSCC2CCCCC2 62a_100000765856_100000211423 [0,0,0,1,0,1|1,1,0]=4 10919 B17R2.2382 c1ccc(cc1)CCSCC2CCCCO2 62a_100000211543_100011218657 [0,0,0,1,0,1|0,1,0]=3 10920 B17R2.2382 c1ccc(cc1)CCSCC2CCCCO2 62a_100000765856_100000211543 [0,0,0,1,0,1|0,1,0]=3 10921 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 207a_100000738074_100015611070 [0,0,0,1,0,1|2,0,0]=4 10922 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 2230a_100000738074_100015291786 [0,0,0,1,0,1|2,0,0]=4 10923 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 2230a_100015324214_100012355289 [0,0,0,1,0,1|2,0,0]=4 10924 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 270004a_100000738074_100015611070 [0,0,0,1,0,1|2,0,0]=4 10925 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 270004a_100015324214_100011713444 [0,0,0,1,0,1|2,0,0]=4 10926 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 34a_100000738074_100015291786 [0,0,0,1,0,1|2,0,0]=4 10927 B17R2.2382 c1ccc(cc1)CNCCC2CCCCC2 34a_100015324214_100011209188 [0,0,0,1,0,1|2,0,0]=4 10928 B17R2.2382 c1ccc(cc1)CNCCC2CCCCO2 207a_100015183643_100015611070 [0,0,0,1,0,1|1,0,0]=3 10929 B17R2.2382 c1ccc(cc1)CNCCC2CCCCO2 2230a_100015183643_100015291786 [0,0,0,1,0,1|1,0,0]=3 10930 B17R2.2382 c1ccc(cc1)CNCCC2CCCCO2 270004a_100015183643_100015611070 [0,0,0,1,0,1|1,0,0]=3 10931 B17R2.2382 c1ccc(cc1)CNCCC2CCCCO2 34a_100015183643_100015291786 [0,0,0,1,0,1|1,0,0]=3 10932 B17R2.2382 c1ccc(cc1)CNCCC2OCCCO2 2230a_100015324214_100000764188 [0,0,0,1,0,1|2,0,0]=4 10933 B17R2.2382 c1ccc(cc1)CNCCC2OCCCO2 34a_100015324214_100000764188 [0,0,0,1,0,1|2,0,0]=4 10934 B17R2.2382 c1ccc(cc1)CNCOC2CCCCC2 2230a_100015324214_100011935260 [0,0,0,1,0,1|1,0,0]=3 10935 B17R2.2382 c1ccc(cc1)CNCOC2CCCCC2 34a_100015324214_100011935260 [0,0,0,1,0,1|1,0,0]=3 10936 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 34a_100000210790_100011209188 [0,0,0,1,0,1|2,0,0]=4 10937 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 34a_100011217863_100015291786 [0,0,0,1,0,1|2,0,0]=4 10938 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 7a_100000210790_100011273959 [0,0,0,1,0,1|2,0,0]=4 10939 B17R2.2382 c1ccc(cc1)COCCC2CCCCC2 7a_100011217863_100000211182 [0,0,0,1,0,1|2,0,0]=4 10940 B17R2.2382 c1ccc(cc1)COCCC2CCCCN2 34a_100000211664_100015291786 [0,0,0,1,0,1|2,0,0]=4 10941 B17R2.2382 c1ccc(cc1)COCCC2OCCCO2 34a_100000210790_100000764188 [0,0,0,1,0,1|2,0,0]=4 10942 B17R2.2382 c1ccc(cc1)COCCC2OCCCO2 7a_100000210790_100000764188 [0,0,0,1,0,1|2,0,0]=4 10943 B17R2.2382 c1ccc(cc1)COCNC2CCCCC2 2230a_100000182618_100000763385 [0,0,0,1,0,1|2,0,0]=4 10944 B17R2.2382 c1ccc(cc1)COCNC2CCCCC2 34a_100000182618_100000763385 [0,0,0,1,0,1|2,0,0]=4 10945 B17R2.2382 c1ccc(cc1)COCOC2CCCCC2 34a_100000210231_100000763385 [0,0,0,1,0,1|1,0,0]=3 10946 B17R2.2382 c1ccc(cc1)COCOC2CCCCC2 34a_100000210790_100011935260 [0,0,0,1,0,1|1,0,0]=3 10947 B17R2.2382 c1ccc(cc1)COCOC2CCCCC2 7a_100000210790_100011935260 [0,0,0,1,0,1|1,0,0]=3 10948 B17R2.2382 c1ccc(cc1)COCOC2CCCCO2 34a_100000033831_100000763385 [0,0,0,1,0,1|0,0,0]=2 10949 B17R2.2382 c1ccc(cc1)COCOC2CCCOC2 34a_100000754041_100000763385 [0,0,0,1,0,1|2,0,0]=4 10950 B17R2.2382 c1ccc(cc1)COCOC2CCOCC2 34a_100000744328_100000763385 [0,0,0,1,0,1|2,0,0]=4 10951 B17R2.2382 c1ccc(cc1)COCOC2CCSCC2 34a_100000731022_100000763385 [0,0,0,1,0,1|2,0,0]=4 10952 B17R2.2382 c1ccc(cc1)COCSC2CCCCC2 62a_100000210327_100000763385 [0,0,0,1,0,1|1,1,0]=4 10953 B17R2.2382 c1ccc(cc1)COCSC2CCCCC2 62a_100000763385_100000210327 [0,0,0,1,0,1|1,1,0]=4 10954 B17R2.2382 c1ccc(cc1)CSCCC2CCCCC2 62a_100000211182_100012355289 [0,0,0,1,0,1|2,0,0]=4 10955 B17R2.2382 c1ccc(cc1)CSCCC2CCCCC2 62a_100012355289_100015291786 [0,0,0,1,0,1|2,0,0]=4 10956 B17R2.2382 c1ccc(cc1)CSCCC2OCCCO2 62a_100000211182_100000764188 [0,0,0,1,0,1|2,0,0]=4 10957 B17R2.2382 c1ccc(cc1)CSCCC2OCCCO2 62a_100000764188_100015291786 [0,0,0,1,0,1|2,0,0]=4 10958 B17R2.2382 c1ccc(cc1)CSCNC2CCCCC2 2230a_100000182618_200011217039 [0,0,0,1,0,1|2,0,0]=4 10959 B17R2.2382 c1ccc(cc1)CSCNC2CCCCC2 34a_100000182618_200011217039 [0,0,0,1,0,1|2,0,0]=4 10960 B17R2.2382 c1ccc(cc1)CSCOC2CCCCC2 34a_100000210231_200011217039 [0,0,0,1,0,1|1,0,0]=3 10961 B17R2.2382 c1ccc(cc1)CSCOC2CCCCC2 62a_100000211182_100011935260 [0,0,0,1,0,1|1,0,0]=3 10962 B17R2.2382 c1ccc(cc1)CSCOC2CCCCC2 62a_100011935260_100015291786 [0,0,0,1,0,1|1,0,0]=3 10963 B17R2.2382 c1ccc(cc1)CSCOC2CCCCO2 34a_100000033831_200011217039 [0,0,0,1,0,1|0,0,0]=2 10964 B17R2.2382 c1ccc(cc1)CSCOC2CCCOC2 34a_100000754041_200011217039 [0,0,0,1,0,1|2,0,0]=4 10965 B17R2.2382 c1ccc(cc1)CSCOC2CCOCC2 34a_100000744328_200011217039 [0,0,0,1,0,1|2,0,0]=4 10966 B17R2.2382 c1ccc(cc1)CSCOC2CCSCC2 34a_100000731022_200011217039 [0,0,0,1,0,1|2,0,0]=4 10967 B17R2.2382 c1ccc(cc1)CSCSC2CCCCC2 62a_100000210327_200011217039 [0,0,0,1,0,1|1,1,0]=4 10968 B17R2.2382 c1ccc(cc1)CSCSC2CCCCC2 62a_200011217039_100000210327 [0,0,0,1,0,1|1,1,0]=4 10969 B17R2.2382 c1ccc(cc1)NCCCC2CCCCC2 34a_100000106764_100011713725 [0,0,0,1,0,1|2,0,0]=4 10970 B17R2.2382 c1ccc(cc1)NCCOC2CCCCC2 34a_100000106764_100011211530 [0,0,0,1,0,1|1,0,0]=3 10971 B17R2.2382 c1ccc(cc1)NCCOC2CCCCC2 34a_100000211345_100000210327 [0,0,0,1,0,1|1,0,0]=3 10972 B17R2.2382 c1ccc(cc1)NCCOC2CCCCO2 34a_100000106764_100000744793 [0,0,0,1,0,1|0,0,0]=2 10973 B17R2.2382 c1ccc(cc1)NCCOC2CCCOC2 34a_100000211345_100000693364 [0,0,0,1,0,1|2,0,0]=4 10974 B17R2.2382 c1ccc(cc1)NCCOC2CCSCC2 34a_100000211345_100000069128 [0,0,0,1,0,1|2,0,0]=4 10975 B17R2.2382 c1ccc(cc1)OCCCC2CCCCC2 34a_100000210340_100011713725 [0,0,0,1,0,1|2,0,0]=4 10976 B17R2.2382 c1ccc(cc1)OCCCC2CCCCC2 7a_100000210340_100011713725 [0,0,0,1,0,1|2,0,0]=4 10977 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 2230a_100000182618_100000184471 [0,0,0,1,0,1|2,0,0]=4 10978 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 270004a_100000174943_100000210434 [0,0,0,1,0,1|2,0,0]=4 10979 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 270004a_100000182618_100000758736 [0,0,0,1,0,1|2,0,0]=4 10980 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 34a_100000174943_100000210327 [0,0,0,1,0,1|2,0,0]=4 10981 B17R2.2382 c1ccc(cc1)OCCNC2CCCCC2 34a_100000182618_100000184471 [0,0,0,1,0,1|2,0,0]=4 10982 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 34a_100000210231_100000184471 [0,0,0,1,0,1|1,0,0]=3 10983 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 34a_100000210260_100000210327 [0,0,0,1,0,1|1,0,0]=3 10984 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 34a_100000210340_100011211530 [0,0,0,1,0,1|1,0,0]=3 10985 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 7a_100000210231_100000184471 [0,0,0,1,0,1|1,0,0]=3 10986 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 7a_100000210260_100000210327 [0,0,0,1,0,1|1,0,0]=3 10987 B17R2.2382 c1ccc(cc1)OCCOC2CCCCC2 7a_100000210340_100011211530 [0,0,0,1,0,1|1,0,0]=3 10988 B17R2.2382 c1ccc(cc1)OCCOC2CCCCO2 34a_100000033831_100000184471 [0,0,0,1,0,1|0,0,0]=2 10989 B17R2.2382 c1ccc(cc1)OCCOC2CCCCO2 34a_100000210340_100000744793 [0,0,0,1,0,1|0,0,0]=2 10990 B17R2.2382 c1ccc(cc1)OCCOC2CCCCO2 7a_100000210340_100000744793 [0,0,0,1,0,1|0,0,0]=2 10991 B17R2.2382 c1ccc(cc1)OCCOC2CCCOC2 34a_100000210260_100000693364 [0,0,0,1,0,1|2,0,0]=4 10992 B17R2.2382 c1ccc(cc1)OCCOC2CCCOC2 34a_100000754041_100000184471 [0,0,0,1,0,1|2,0,0]=4 10993 B17R2.2382 c1ccc(cc1)OCCOC2CCCOC2 7a_100000210260_100000693364 [0,0,0,1,0,1|2,0,0]=4 10994 B17R2.2382 c1ccc(cc1)OCCOC2CCCSC2 7a_100015962668_100000184471 [0,0,0,1,0,1|2,0,0]=4 10995 B17R2.2382 c1ccc(cc1)OCCOC2CCOCC2 34a_100000744328_100000184471 [0,0,0,1,0,1|2,0,0]=4 10996 B17R2.2382 c1ccc(cc1)OCCOC2CCOCC2 7a_100000210260_100000686592 [0,0,0,1,0,1|2,0,0]=4 10997 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 34a_100000210260_100000069128 [0,0,0,1,0,1|2,0,0]=4 10998 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 34a_100000731022_100000184471 [0,0,0,1,0,1|2,0,0]=4 10999 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 7a_100000210260_100011500858 [0,0,0,1,0,1|2,0,0]=4 11000 B17R2.2382 c1ccc(cc1)OCCOC2CCSCC2 7a_100000731022_100000184471 [0,0,0,1,0,1|2,0,0]=4 11001 B17R2.2382 c1ccc(cc1)OCCSC2CCCCC2 62a_100000184471_100000210327 [0,0,0,1,0,1|1,1,0]=4 11002 B17R2.2382 c1ccc(cc1)OCCSC2CCCCC2 62a_100000210327_100000184471 [0,0,0,1,0,1|1,1,0]=4 11003 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 2230a_100000182618_100000246102 [0,0,0,1,0,1|2,0,0]=4 11004 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 270004a_100000189519_100000210434 [0,0,0,1,0,1|2,0,0]=4 11005 B17R2.2382 c1ccc(cc1)SCCNC2CCCCC2 34a_100000182618_100000246102 [0,0,0,1,0,1|2,0,0]=4 11006 B17R2.2382 c1ccc(cc1)SCCOC2CCCCC2 34a_100000210231_100000246102 [0,0,0,1,0,1|1,0,0]=3 11007 B17R2.2382 c1ccc(cc1)SCCOC2CCCCC2 62a_100000719477_100011211530 [0,0,0,1,0,1|1,0,0]=3 11008 B17R2.2382 c1ccc(cc1)SCCOC2CCCCC2 62a_100011211530_100000041952 [0,0,0,1,0,1|1,0,0]=3 11009 B17R2.2382 c1ccc(cc1)SCCOC2CCCCC2 7a_100000210231_100000246102 [0,0,0,1,0,1|1,0,0]=3 11010 B17R2.2382 c1ccc(cc1)SCCOC2CCCCC2 7a_100000230494_100000210327 [0,0,0,1,0,1|1,0,0]=3 11011 B17R2.2382 c1ccc(cc1)SCCOC2CCCCO2 34a_100000033831_100000246102 [0,0,0,1,0,1|0,0,0]=2 11012 B17R2.2382 c1ccc(cc1)SCCOC2CCCCO2 62a_100000719477_100000744793 [0,0,0,1,0,1|0,0,0]=2 11013 B17R2.2382 c1ccc(cc1)SCCOC2CCCCO2 62a_100000744793_100000041952 [0,0,0,1,0,1|0,0,0]=2 11014 B17R2.2382 c1ccc(cc1)SCCOC2CCCOC2 34a_100000754041_100000246102 [0,0,0,1,0,1|2,0,0]=4 11015 B17R2.2382 c1ccc(cc1)SCCOC2CCCOC2 7a_100000230494_100000693364 [0,0,0,1,0,1|2,0,0]=4 11016 B17R2.2382 c1ccc(cc1)SCCOC2CCCSC2 7a_100015962668_100000246102 [0,0,0,1,0,1|2,0,0]=4 11017 B17R2.2382 c1ccc(cc1)SCCOC2CCOCC2 34a_100000744328_100000246102 [0,0,0,1,0,1|2,0,0]=4 11018 B17R2.2382 c1ccc(cc1)SCCOC2CCOCC2 7a_100000230494_100000686592 [0,0,0,1,0,1|2,0,0]=4 11019 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 34a_100000731022_100000246102 [0,0,0,1,0,1|2,0,0]=4 11020 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 7a_100000230494_100011500858 [0,0,0,1,0,1|2,0,0]=4 11021 B17R2.2382 c1ccc(cc1)SCCOC2CCSCC2 7a_100000731022_100000246102 [0,0,0,1,0,1|2,0,0]=4 11022 B17R2.2382 c1ccc(cc1)SCCSC2CCCCC2 62a_100000210327_100000246102 [0,0,0,1,0,1|1,1,0]=4 11023 B17R2.2382 c1ccc(cc1)SCCSC2CCCCC2 62a_100000246102_100000210327 [0,0,0,1,0,1|1,1,0]=4 11024 B17R2.2382 c1ccc(cc1)SCNCC2CCCCO2 2230a_100000174945_100011218342 [0,0,0,1,0,1|2,0,0]=4 11025 B17R2.2382 c1ccc(cc1)SCSCC2CCCCO2 62a_100000211543_100011218342 [0,0,0,1,0,1|1,1,0]=4 11026 B17R2.2382 c1ccc(cc1)SCSCC2CCCCO2 62a_100011218342_100000211543 [0,0,0,1,0,1|1,1,0]=4 11027 B17R2.2382 c1ccc(nc1)CCCOC2CCCCC2 34a_100011215068_100000210327 [0,0,0,1,0,1|2,0,0]=4 11028 B17R2.2382 c1ccc(nc1)CCNCC2CCCCO2 2230a_100000174945_100015183660 [0,0,0,1,0,1|2,0,0]=4 11029 B17R2.2382 c1ccc(nc1)CCOCC2CCCCC2 34a_100000210271_100000211423 [0,0,0,1,0,1|2,0,0]=4 11030 B17R2.2382 c1ccc(nc1)CCOCC2CCCCC2 7a_100000212181_100015183660 [0,0,0,1,0,1|2,0,0]=4 11031 B17R2.2382 c1ccc(nc1)CCOCC2CCCCO2 34a_100000210271_100000211543 [0,0,0,1,0,1|1,0,0]=3 11032 B17R2.2382 c1ccc(nc1)CCOCC2CCCCO2 7a_100000211370_100015183660 [0,0,0,1,0,1|1,0,0]=3 11033 B17R2.2382 c1ccc(nc1)CCSCC2CCCCO2 62a_100000211543_100015183660 [0,0,0,1,0,1|1,1,0]=4 11034 B17R2.2382 c1ccc(nc1)CCSCC2CCCCO2 62a_100015183660_100000211543 [0,0,0,1,0,1|1,1,0]=4 11035 B17R2.2382 c1ccc(nc1)CNCCC2CCCCO2 207a_100015183643_100000209966 [0,0,0,1,0,1|2,0,0]=4 11036 B17R2.2382 c1ccc(nc1)CNCCC2CCCCO2 2230a_100015183643_100000721315 [0,0,0,1,0,1|2,0,0]=4 11037 B17R2.2382 c1ccc(nc1)CNCCC2CCCCO2 270004a_100015183643_100000209966 [0,0,0,1,0,1|2,0,0]=4 11038 B17R2.2382 c1ccc(nc1)CNCCC2CCCCO2 34a_100015183643_100000721315 [0,0,0,1,0,1|2,0,0]=4 11039 B17R2.2382 c1ccc(nc1)CSCOC2CCCCC2 62a_100000721315_100011935260 [0,0,0,1,0,1|2,0,0]=4 11040 B17R2.2382 c1ccc(nc1)CSCOC2CCCCC2 62a_100011935260_100000721315 [0,0,0,1,0,1|2,0,0]=4 11041 B17R2.2382 c1ccc(nc1)SCCOC2CCCCC2 62a_100011211530_100011216584 [0,0,0,1,0,1|2,0,0]=4 11042 B17R2.2382 c1ccc(nc1)SCCOC2CCCCC2 62a_100011216584_100011211530 [0,0,0,1,0,1|2,0,0]=4 11043 B17R2.2382 c1ccc(nc1)SCCOC2CCCCC2 7a_100000156319_100000210327 [0,0,0,1,0,1|2,0,0]=4 11044 B17R2.2382 c1ccc(nc1)SCCOC2CCCCO2 62a_100000744793_100011216584 [0,0,0,1,0,1|1,0,0]=3 11045 B17R2.2382 c1ccc(nc1)SCCOC2CCCCO2 62a_100011216584_100000744793 [0,0,0,1,0,1|1,0,0]=3 11046 B17R2.2382 c1cnc(cn1)CCOCC2CCCCO2 34a_100011349526_100000211543 [0,0,0,1,0,1|2,0,0]=4 11047 B17R2.2382 c1cnc(cn1)SCCOC2CCCCO2 62a_100000211759_100000744793 [0,0,0,1,0,1|2,0,0]=4 11048 B17R2.2382 c1cnc(cn1)SCCOC2CCCCO2 62a_100000744793_100000211759 [0,0,0,1,0,1|2,0,0]=4 11049 B17R2.2382 c1cnc(nc1)SCCOC2CCCCO2 62a_100000211032_100000744793 [0,0,0,1,0,1|2,0,0]=4 11050 B17R2.2382 c1cnc(nc1)SCCOC2CCCCO2 62a_100000744793_100000211032 [0,0,0,1,0,1|2,0,0]=4 11051 B17R2.2382 c1cncc(c1)CCCOC2CCCCC2 34a_100000211284_100000210327 [0,0,0,1,0,1|2,0,0]=4 11052 B17R2.2382 c1cncc(c1)CCNCC2CCCCO2 2230a_100000174945_200011713674 [0,0,0,1,0,1|2,0,0]=4 11053 B17R2.2382 c1cncc(c1)CCNCC2CCCCO2 2230a_100000736294_100000211543 [0,0,0,1,0,1|2,0,0]=4 11054 B17R2.2382 c1cncc(c1)CCOCC2CCCCC2 34a_100011217484_100000211423 [0,0,0,1,0,1|2,0,0]=4 11055 B17R2.2382 c1cncc(c1)CCOCC2CCCCC2 7a_100000212181_200011713674 [0,0,0,1,0,1|2,0,0]=4 11056 B17R2.2382 c1cncc(c1)CCOCC2CCCCO2 34a_100011217484_100000211543 [0,0,0,1,0,1|1,0,0]=3 11057 B17R2.2382 c1cncc(c1)CCOCC2CCCCO2 7a_100000211370_200011713674 [0,0,0,1,0,1|1,0,0]=3 11058 B17R2.2382 c1cncc(c1)CCSCC2CCCCO2 62a_100000211543_200011713674 [0,0,0,1,0,1|1,1,0]=4 11059 B17R2.2382 c1cncc(c1)CCSCC2CCCCO2 62a_200011713674_100000211543 [0,0,0,1,0,1|1,1,0]=4 11060 B17R2.2382 c1cncc(c1)CNCCC2CCCCO2 207a_100015183643_100000209961 [0,0,0,1,0,1|2,0,0]=4 11061 B17R2.2382 c1cncc(c1)CNCCC2CCCCO2 2230a_100015183643_100000741622 [0,0,0,1,0,1|2,0,0]=4 11062 B17R2.2382 c1cncc(c1)CNCCC2CCCCO2 270004a_100015183643_100000209961 [0,0,0,1,0,1|2,0,0]=4 11063 B17R2.2382 c1cncc(c1)CNCCC2CCCCO2 34a_100015183643_100000733263 [0,0,0,1,0,1|2,0,0]=4 11064 B17R2.2382 c1cncc(c1)CSCOC2CCCCC2 62a_100000741622_100011935260 [0,0,0,1,0,1|2,0,0]=4 11065 B17R2.2382 c1cncc(c1)CSCOC2CCCCC2 62a_100011935260_100000741622 [0,0,0,1,0,1|2,0,0]=4 11066 B17R2.2382 c1cncc(c1)OCCOC2CCCCC2 34a_100000210849_100011211530 [0,0,0,1,0,1|2,0,0]=4 11067 B17R2.2382 c1cncc(c1)OCCOC2CCCCC2 7a_100000210849_100011211530 [0,0,0,1,0,1|2,0,0]=4 11068 B17R2.2382 c1cncc(c1)OCCOC2CCCCO2 34a_100000210849_100000744793 [0,0,0,1,0,1|1,0,0]=3 11069 B17R2.2382 c1cncc(c1)OCCOC2CCCCO2 7a_100000210849_100000744793 [0,0,0,1,0,1|1,0,0]=3 11070 B17R2.2382 c1cncc(c1)SCCOC2CCCCC2 62a_100000210063_100011211530 [0,0,0,1,0,1|2,0,0]=4 11071 B17R2.2382 c1cncc(c1)SCCOC2CCCCC2 62a_100011211530_100000210063 [0,0,0,1,0,1|2,0,0]=4 11072 B17R2.2382 c1cncc(c1)SCCOC2CCCCO2 62a_100000210063_100000744793 [0,0,0,1,0,1|1,0,0]=3 11073 B17R2.2382 c1cncc(c1)SCCOC2CCCCO2 62a_100000744793_100000210063 [0,0,0,1,0,1|1,0,0]=3 11074 B17R2.2382 c1cnnc(c1)SCCOC2CCCCO2 62a_100000744793_100016991348 [0,0,0,1,0,1|2,0,0]=4 11075 B17R2.2382 c1cnnc(c1)SCCOC2CCCCO2 62a_100016991348_100000744793 [0,0,0,1,0,1|2,0,0]=4 11076 B17R2.2382 c1ncc(cn1)CCOCC2CCCCO2 34a_100011709255_100000211543 [0,0,0,1,0,1|2,0,0]=4 11077 B17R2.2382 c1ncc(cn1)OCCOC2CCCCO2 7a_100000754086_100000744793 [0,0,0,1,0,1|2,0,0]=4 11078 B17R2.2382 c1ncc(cn1)SCCOC2CCCCO2 62a_100000744793_100011206942 [0,0,0,1,0,1|2,0,0]=4 11079 B17R2.2382 c1ncc(cn1)SCCOC2CCCCO2 62a_100011206942_100000744793 [0,0,0,1,0,1|2,0,0]=4 11080 B17R2.3230 CC1CCC(C1)NCCCc2ccccc2 270004a_100000211184_100011215218 [0,0,0,1,0,1|2,0,0]=4 11081 B17R2.3230 CC1CCC(C1)NCCOc2ccccc2 270004a_100000174943_100011215218 [0,0,0,1,0,1|2,0,0]=4 11082 B17R2.3230 CC1CCC(C1)NCCSc2ccccc2 270004a_100000189519_100011215218 [0,0,0,1,0,1|2,0,0]=4 11083 B17R2.3230 CC1CCC(C1)OC/C=C/c2ccccc2 34a_100000698185_100016265936 [0,0,0,1,0,1|1,0,1]=4 11084 B17R2.3230 CC1CCC(C1)OCC#Cc2ccccc2 34a_100000698185_100011352542 [0,0,0,1,0,1|1,0,1]=4 11085 B17R2.3230 CC1CCC(C1)OCCCc2ccccc2 34a_100000698185_100000211621 [0,0,0,1,0,1|1,0,0]=3 11086 B17R2.3230 CC1CCC(C1)OCCOc2ccccc2 34a_100000698185_100000184471 [0,0,0,1,0,1|1,0,0]=3 11087 B17R2.3230 CC1CCC(C1)OCCSc2ccccc2 34a_100000698185_100000246102 [0,0,0,1,0,1|1,0,0]=3 11088 B17R2.3230 CC1CCC(C1)OCOCc2ccccc2 34a_100000698185_100000763385 [0,0,0,1,0,1|1,0,0]=3 11089 B17R2.3230 CC1CCC(C1)OCSCc2ccccc2 34a_100000698185_200011217039 [0,0,0,1,0,1|1,0,0]=3 11090 B17R2.3230 CN1CCC(C1)COCCc2ccccc2 34a_100000210268_200000690779 [0,0,0,1,0,1|2,0,0]=4 11091 B17R2.3230 CN1CCC(C1)COCCc2ccccc2 7a_100000210268_200000690779 [0,0,0,1,0,1|2,0,0]=4 11092 B17R2.3230 CN1CCC(C1)OCCCc2ccccc2 7a_100000210828_200012183744 [0,0,0,1,0,1|2,0,0]=4 11093 B17R2.3230 CN1CCC(C1)OCCOc2ccccc2 7a_100000210260_200012183744 [0,0,0,1,0,1|2,0,0]=4 11094 B17R2.3230 CN1CCC(C1)OCCSc2ccccc2 7a_100000230494_200012183744 [0,0,0,1,0,1|2,0,0]=4 11095 B17R2.3230 F[C@@H]1CN[C@@H](C1)COCCc2ccccc2 34a_100015204000_100000765856 [0,0,0,1,0,1|2,0,0]=4 11096 B17R2.3956 CC1CCCCC1NCCc2ccccc2 2230a_100000211402_100000765856 [0,0,0,1,0,1|2,0,0]=4 11097 B17R2.3956 CC1CCCCC1NCCc2ccccc2 269862a_100000106460_100000210921 [0,0,0,1,0,1|2,0,0]=4 11098 B17R2.3956 CC1CCCCC1NCCc2ccccc2 270004a_100000106460_100000210921 [0,0,0,1,0,1|2,0,0]=4 11099 B17R2.3956 CC1CCCCC1NCCc2ccccc2 34a_100000211402_100000765856 [0,0,0,1,0,1|2,0,0]=4 11100 B17R2.3956 CC1CCCCC1OCCc2ccccc2 34a_100000211207_100000765856 [0,0,0,1,0,1|1,0,0]=3 11101 B17R2.3956 CC1CCCCC1OCCc2ccccc2 7a_100000211207_100000765856 [0,0,0,1,0,1|1,0,0]=3 11102 B17R2.3956 CC1CCCCC1OCCc2ccccn2 7a_100000211207_100015183660 [0,0,0,1,0,1|2,0,0]=4 11103 B17R2.3956 CC1CCCCC1OCCc2cccnc2 7a_100000211207_200011713674 [0,0,0,1,0,1|2,0,0]=4 11104 B17R2.3956 CC1CCCCC1OCCc2ccncc2 7a_100000211207_100000723409 [0,0,0,1,0,1|2,0,0]=4 11105 B17R2.3956 CC1CCCCN1CCCc2ccccc2 2230a_100000211376_100000211621 [0,0,0,1,0,1|2,0,0]=4 11106 B17R2.3956 CC1CCCCN1CCCc2ccccc2 269982a_100000211376_100000211621 [0,0,0,1,0,1|2,0,0]=4 11107 B17R2.3956 CC1CCCCN1CCCc2ccccc2 34a_100000211376_100000211621 [0,0,0,1,0,1|2,0,0]=4 11108 B17R2.3956 CC1CCCCN1CCOc2ccccc2 2230a_100000211376_100000184471 [0,0,0,1,0,1|2,0,0]=4 11109 B17R2.3956 CC1CCCCN1CCOc2ccccc2 269982a_100000211376_100000184471 [0,0,0,1,0,1|2,0,0]=4 11110 B17R2.3956 CC1CCCCN1CCOc2ccccc2 270004a_100000211376_100000758736 [0,0,0,1,0,1|2,0,0]=4 11111 B17R2.3956 CC1CCCCN1CCOc2ccccc2 34a_100000211376_100000184471 [0,0,0,1,0,1|2,0,0]=4 11112 B17R2.3956 CC1CCCCN1CCSc2ccccc2 2230a_100000211376_100000246102 [0,0,0,1,0,1|2,0,0]=4 11113 B17R2.3956 CC1CCCCN1CCSc2ccccc2 269982a_100000211376_100000246102 [0,0,0,1,0,1|2,0,0]=4 11114 B17R2.3956 CC1CCCCN1CCSc2ccccc2 34a_100000211376_100000246102 [0,0,0,1,0,1|2,0,0]=4 11115 B17R2.3956 CC1CCCCN1COCc2ccccc2 2230a_100000211376_100000763385 [0,0,0,1,0,1|2,0,0]=4 11116 B17R2.3956 CC1CCCCN1COCc2ccccc2 34a_100000211376_100000763385 [0,0,0,1,0,1|2,0,0]=4 11117 B17R2.3956 CC1CCCCN1CSCc2ccccc2 2230a_100000211376_200011217039 [0,0,0,1,0,1|2,0,0]=4 11118 B17R2.3956 CC1CCCCN1CSCc2ccccc2 269982a_100000211376_200011217039 [0,0,0,1,0,1|2,0,0]=4 11119 B17R2.3956 CC1CCCCN1CSCc2ccccc2 34a_100000211376_200011217039 [0,0,0,1,0,1|2,0,0]=4 11120 B17R2.3956 CC1CCNCC1OCCc2ccccc2 34a_100000696640_100000765856 [0,0,0,1,0,1|2,0,0]=4 11121 B17R2.3956 CC1CNCCC1OCCc2ccccc2 34a_100011998114_100000765856 [0,0,0,1,0,1|2,0,0]=4 11122 B17R2.3956 ClC1CCCCC1OCCc2ccccc2 34a_100000038908_100000765856 [0,0,0,1,0,1|2,0,0]=4 11123 B17R2.3956 ClC1CCCCC1OCCc2ccccc2 7a_100000038908_100000765856 [0,0,0,1,0,1|2,0,0]=4 11124 B17R2.3956 FC1CCCCC1OCCc2ccccc2 34a_100000210268_100015423560 [0,0,0,1,0,1|2,0,0]=4 11125 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccccc2 34a_100009816020_100000765856 [0,0,0,1,0,1|2,0,0]=4 11126 B17R2.3956 F[C@@H]1CCCC[C@H]1OCCc2ccccc2 7a_100009816020_100000765856 [0,0,0,1,0,1|2,0,0]=4 11127 B17R2.3956 N[C@@H]1CCCC[C@@H]1OCCc2ccccc2 34a_100015191688_100000765856 [0,0,0,1,0,1|2,0,0]=4 11128 B17R2.3956 OC1CCCCC1OCCc2ccccc2 34a_100000210268_100000038908 [0,0,0,1,0,1|2,0,0]=4 11129 B17R2.5365 CC1CCC(C(C1)NCc2ccccc2)C 269862a_100015324214_100000034887 [0,0,0,1,0,1|2,0,0]=4 11130 B17R2.5365 CC1CCC(C(C1)NCc2ccccc2)C 270004a_100015324214_100000034887 [0,0,0,1,0,1|2,0,0]=4 11131 B17R2.5365 CC1CCC(C(C1)OCc2ccccc2)C 34a_100011217446_100015291786 [0,0,0,1,0,1|2,0,0]=4 11132 B17R2.5365 CC1CCC(C(C1)OCc2ccccc2)C 7a_100011217446_100000211182 [0,0,0,1,0,1|2,0,0]=4 11133 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccccc2 2230a_100016991869_100000765856 [0,0,0,1,0,1|1,0,0]=3 11134 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccccc2 269982a_100016991869_100000765856 [0,0,0,1,0,1|1,0,0]=3 11135 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccccc2 34a_100016991869_100000765856 [0,0,0,1,0,1|1,0,0]=3 11136 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccccn2 2230a_100016991869_100015183660 [0,0,0,1,0,1|2,0,0]=4 11137 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccccn2 269982a_100016991869_100015183660 [0,0,0,1,0,1|2,0,0]=4 11138 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2cccnc2 2230a_100016991869_200011713674 [0,0,0,1,0,1|2,0,0]=4 11139 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2cccnc2 269982a_100016991869_200011713674 [0,0,0,1,0,1|2,0,0]=4 11140 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccncc2 2230a_100016991869_100000723409 [0,0,0,1,0,1|2,0,0]=4 11141 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CCc2ccncc2 269982a_100016991869_100000723409 [0,0,0,1,0,1|2,0,0]=4 11142 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CSc2ccccc2 2230a_100016991869_100011218342 [0,0,0,1,0,1|2,0,0]=4 11143 B17R2.5365 C[C@@H]1CN([C@@H](CO1)C)CSc2ccccc2 269982a_100016991869_100011218342 [0,0,0,1,0,1|2,0,0]=4 11144 B17R2.6539 BrCCOC1CC(C1)OCc2ccccc2 34a_100000211926_100012470880 [0,0,0,1,0,1|2,0,0]=4 11145 B17R2.6539 CCCNC1CC(C1)OCc2ccccc2 270004a_100020643023_100000766647 [0,0,0,1,0,1|2,0,0]=4 11146 B17R2.6539 CCCN[C@H]1C[C@@H](C1)OCc2ccccc2 2230a_100015959148_100000210303 [0,0,0,1,0,1|2,0,0]=4 11147 B17R2.6539 CCCOC1CC(C1)OCc2ccccc2 34a_100000210258_100012470880 [0,0,0,1,0,1|1,0,0]=3 11148 B17R2.6539 CCCOC1CN(C1)CCc2ccccc2 269982a_200020626125_100000765856 [0,0,0,1,0,1|1,0,0]=3 11149 B17R2.6539 CCCOC1CN(C1)CCc2ccccc2 34a_200020626125_100000765856 [0,0,0,1,0,1|1,0,0]=3 11150 B17R2.6539 CCCOC1CN(C1)CCc2ccccn2 269982a_200020626125_100015183660 [0,0,0,1,0,1|2,0,0]=4 11151 B17R2.6539 CCCOC1CN(C1)CCc2cccnc2 269982a_200020626125_200011713674 [0,0,0,1,0,1|2,0,0]=4 11152 B17R2.6539 CCCOC1CN(C1)CCc2ccncc2 269982a_200020626125_100000723409 [0,0,0,1,0,1|2,0,0]=4 11153 B17R2.6539 CCCOC1CN(C1)CSc2ccccc2 269982a_200020626125_100011218342 [0,0,0,1,0,1|2,0,0]=4 11154 B17R2.6539 CCCO[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_100000210303 [0,0,0,1,0,1|1,0,0]=3 11155 B17R2.6539 CCCSC1CC(C1)OCc2ccccc2 62a_100000210303_100012470880 [0,0,0,1,0,1|1,1,0]=4 11156 B17R2.6539 CCCSC1CC(C1)OCc2ccccc2 62a_100012470880_100000210303 [0,0,0,1,0,1|1,1,0]=4 11157 B17R2.6539 FCCO[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_100011217306 [0,0,0,1,0,1|2,0,0]=4 11158 B17R2.6539 NCCOC1CC(C1)OCc2ccccc2 34a_100000210304_100012470880 [0,0,0,1,0,1|2,0,0]=4 11159 B17R2.6539 OCCO[C@H]1C[C@H](C1)OCc2ccccc2 7a_100009820362_100000211926 [0,0,0,1,0,1|2,0,0]=4 11160 B17R2.8660 CC1CCC(N1CCCc2ccccc2)C 2230a_100000687148_100000211621 [0,0,0,1,0,1|2,0,0]=4 11161 B17R2.8660 CC1CCC(N1CCCc2ccccc2)C 269982a_100000687148_100000211621 [0,0,0,1,0,1|2,0,0]=4 11162 B17R2.8660 CC1CCC(N1CCCc2ccccc2)C 34a_100000687148_100000211621 [0,0,0,1,0,1|2,0,0]=4 11163 B17R2.8660 CC1CCC(N1CCOc2ccccc2)C 2230a_100000687148_100000184471 [0,0,0,1,0,1|2,0,0]=4 11164 B17R2.8660 CC1CCC(N1CCOc2ccccc2)C 269982a_100000687148_100000184471 [0,0,0,1,0,1|2,0,0]=4 11165 B17R2.8660 CC1CCC(N1CCOc2ccccc2)C 34a_100000687148_100000184471 [0,0,0,1,0,1|2,0,0]=4 11166 B17R2.8660 CC1CCC(N1CCSc2ccccc2)C 2230a_100000687148_100000246102 [0,0,0,1,0,1|2,0,0]=4 11167 B17R2.8660 CC1CCC(N1CCSc2ccccc2)C 269982a_100000687148_100000246102 [0,0,0,1,0,1|2,0,0]=4 11168 B17R2.8660 CC1CCC(N1CCSc2ccccc2)C 34a_100000687148_100000246102 [0,0,0,1,0,1|2,0,0]=4 11169 B17R2.8660 CC1CCC(N1COCc2ccccc2)C 2230a_100000687148_100000763385 [0,0,0,1,0,1|2,0,0]=4 11170 B17R2.8660 CC1CCC(N1COCc2ccccc2)C 34a_100000687148_100000763385 [0,0,0,1,0,1|2,0,0]=4 11171 B17R2.8660 CC1CCC(N1CSCc2ccccc2)C 2230a_100000687148_200011217039 [0,0,0,1,0,1|2,0,0]=4 11172 B17R2.8660 CC1CCC(N1CSCc2ccccc2)C 269982a_100000687148_200011217039 [0,0,0,1,0,1|2,0,0]=4 11173 B17R2.8660 CC1CCC(N1CSCc2ccccc2)C 34a_100000687148_200011217039 [0,0,0,1,0,1|2,0,0]=4 11174 B17R2.24547 CC1(CCCC1)OC/C=C/c2ccccc2 34a_100000751722_100016265936 [0,0,0,1,0,1|1,0,1]=4 11175 B17R2.24547 CC1(CCCC1)OC/C=C/c2ccccc2 7a_100000751722_100016265936 [0,0,0,1,0,1|1,0,1]=4 11176 B17R2.24547 CC1(CCCC1)OCC#Cc2ccccc2 34a_100000751722_100011352542 [0,0,0,1,0,1|1,0,1]=4 11177 B17R2.24547 CC1(CCCC1)OCC#Cc2ccccc2 7a_100000751722_100011352542 [0,0,0,1,0,1|1,0,1]=4 11178 B17R2.24547 CC1(CCCC1)OCCCc2ccccc2 34a_100000751722_100000211621 [0,0,0,1,0,1|1,0,0]=3 11179 B17R2.24547 CC1(CCCC1)OCCCc2ccccc2 7a_100000751722_100000211621 [0,0,0,1,0,1|1,0,0]=3 11180 B17R2.24547 CC1(CCCC1)OCCOc2ccccc2 34a_100000751722_100000184471 [0,0,0,1,0,1|1,0,0]=3 11181 B17R2.24547 CC1(CCCC1)OCCOc2ccccc2 7a_100000751722_100000184471 [0,0,0,1,0,1|1,0,0]=3 11182 B17R2.24547 CC1(CCCC1)OCCSc2ccccc2 34a_100000751722_100000246102 [0,0,0,1,0,1|1,0,0]=3 11183 B17R2.24547 CC1(CCCC1)OCCSc2ccccc2 7a_100000751722_100000246102 [0,0,0,1,0,1|1,0,0]=3 11184 B17R2.24547 CC1(CCCC1)OCOCc2ccccc2 34a_100000751722_100000763385 [0,0,0,1,0,1|1,0,0]=3 11185 B17R2.24547 CC1(CCCC1)OCSCc2ccccc2 34a_100000751722_200011217039 [0,0,0,1,0,1|1,0,0]=3 11186 B17R2.24547 CC1(OCCO1)CCCNc2ccccc2 34a_100000106764_100000037737 [0,0,0,1,0,1|2,0,0]=4 11187 B17R2.24547 CC1(OCCO1)CCCOc2ccccc2 34a_100000210340_100000037737 [0,0,0,1,0,1|2,0,0]=4 11188 B17R2.24547 CC1(OCCO1)CCCOc2ccccc2 7a_100000210340_100000037737 [0,0,0,1,0,1|2,0,0]=4 11189 B17R2.24547 CC1(OCCO1)CCCSc2ccccc2 62a_100000037737_100000041952 [0,0,0,1,0,1|2,0,0]=4 11190 B17R2.24547 CC1(OCCO1)CCCSc2ccccc2 62a_100000719477_100000037737 [0,0,0,1,0,1|2,0,0]=4 11191 B17R2.24547 CC1(OCCO1)CCNCc2ccccc2 207a_100000073055_100015611070 [0,0,0,1,0,1|2,0,0]=4 11192 B17R2.24547 CC1(OCCO1)CCNCc2ccccc2 2230a_100000073055_100015291786 [0,0,0,1,0,1|2,0,0]=4 11193 B17R2.24547 CC1(OCCO1)CCNCc2ccccc2 2230a_100015324214_100000758764 [0,0,0,1,0,1|2,0,0]=4 11194 B17R2.24547 CC1(OCCO1)CCNCc2ccccc2 270004a_100000073055_100015611070 [0,0,0,1,0,1|2,0,0]=4 11195 B17R2.24547 CC1(OCCO1)CCNCc2ccccc2 34a_100015324214_100000758764 [0,0,0,1,0,1|2,0,0]=4 11196 B17R2.24547 CC1(OCCO1)CCOCc2ccccc2 34a_100000210790_100000758764 [0,0,0,1,0,1|2,0,0]=4 11197 B17R2.24547 CC1(OCCO1)CCOCc2ccccc2 7a_100000210790_100000758764 [0,0,0,1,0,1|2,0,0]=4 11198 B17R2.24547 CC1(OCCO1)CCOCc2ccccc2 7a_100009861814_100000211182 [0,0,0,1,0,1|2,0,0]=4 11199 B17R2.24547 CC1(OCCO1)CCSCc2ccccc2 62a_100000211182_100000758764 [0,0,0,1,0,1|2,0,0]=4 11200 B17R2.24547 CC1(OCCO1)CCSCc2ccccc2 62a_100000758764_100015291786 [0,0,0,1,0,1|2,0,0]=4 11201 B17R2.24547 CC1(OCCO1)CNCCc2ccccc2 2230a_100000691740_100000765856 [0,0,0,1,0,1|2,0,0]=4 11202 B17R2.24547 CC1(OCCO1)CSCCc2ccccc2 62a_100000765856_100009818610 [0,0,0,1,0,1|1,1,0]=4 11203 B17R2.24547 CC1(OCCO1)CSCCc2ccccc2 62a_100009818610_100011218657 [0,0,0,1,0,1|1,1,0]=4 11204 B17R2.24547 C[C@]1(CCCN1)COCCc2ccccc2 34a_100016195882_100000765856 [0,0,0,1,0,1|1,0,0]=3 11205 B17R2.24547 NC1(CCCC1)COCCc2ccccc2 34a_100000749328_100000765856 [0,0,0,1,0,1|2,0,0]=4 11206 B17R2.294946 CC(NCCCc1ccccc1)C2CCC2 2230a_100016994624_100000211621 [0,0,0,1,0,1|2,0,0]=4 11207 B17R2.294946 CC(NCCCc1ccccc1)C2CCC2 269862a_100000211184_100000760154 [0,0,0,1,0,1|2,0,0]=4 11208 B17R2.294946 CC(NCCCc1ccccc1)C2CCC2 34a_100016994624_100000211621 [0,0,0,1,0,1|2,0,0]=4 11209 B17R2.294946 CC(NCCOc1ccccc1)C2CCC2 2230a_100016994624_100000184471 [0,0,0,1,0,1|2,0,0]=4 11210 B17R2.294946 CC(NCCOc1ccccc1)C2CCC2 269862a_100000174943_100000760154 [0,0,0,1,0,1|2,0,0]=4 11211 B17R2.294946 CC(NCCOc1ccccc1)C2CCC2 270004a_100016994624_100000758736 [0,0,0,1,0,1|2,0,0]=4 11212 B17R2.294946 CC(NCCOc1ccccc1)C2CCC2 34a_100016994624_100000184471 [0,0,0,1,0,1|2,0,0]=4 11213 B17R2.294946 CC(NCCSc1ccccc1)C2CCC2 2230a_100016994624_100000246102 [0,0,0,1,0,1|2,0,0]=4 11214 B17R2.294946 CC(NCCSc1ccccc1)C2CCC2 269862a_100000189519_100000760154 [0,0,0,1,0,1|2,0,0]=4 11215 B17R2.294946 CC(NCCSc1ccccc1)C2CCC2 34a_100016994624_100000246102 [0,0,0,1,0,1|2,0,0]=4 11216 B17R2.294946 CC(NCOCc1ccccc1)C2CCC2 2230a_100016994624_100000763385 [0,0,0,1,0,1|2,0,0]=4 11217 B17R2.294946 CC(NCOCc1ccccc1)C2CCC2 34a_100016994624_100000763385 [0,0,0,1,0,1|2,0,0]=4 11218 B17R2.294946 CC(NCSCc1ccccc1)C2CCC2 2230a_100016994624_200011217039 [0,0,0,1,0,1|2,0,0]=4 11219 B17R2.294946 CC(NCSCc1ccccc1)C2CCC2 34a_100016994624_200011217039 [0,0,0,1,0,1|2,0,0]=4 11220 B17R2.294946 CC(OC/C=C/c1ccccc1)C2CCC2 34a_100000766398_100016265936 [0,0,0,1,0,1|1,0,1]=4 11221 B17R2.294946 CC(OC/C=C/c1ccccc1)C2CCC2 7a_100000766398_100016265936 [0,0,0,1,0,1|1,0,1]=4 11222 B17R2.294946 CC(OCC#Cc1ccccc1)C2CCC2 34a_100000766398_100011352542 [0,0,0,1,0,1|1,0,1]=4 11223 B17R2.294946 CC(OCC#Cc1ccccc1)C2CCC2 7a_100000766398_100011352542 [0,0,0,1,0,1|1,0,1]=4 11224 B17R2.294946 CC(OCCCc1ccccc1)C2CCC2 34a_100000766398_100000211621 [0,0,0,1,0,1|1,0,0]=3 11225 B17R2.294946 CC(OCCCc1ccccc1)C2CCC2 7a_100000766398_100000211621 [0,0,0,1,0,1|1,0,0]=3 11226 B17R2.294946 CC(OCCOc1ccccc1)C2CCC2 34a_100000766398_100000184471 [0,0,0,1,0,1|1,0,0]=3 11227 B17R2.294946 CC(OCCOc1ccccc1)C2CCC2 7a_100000766398_100000184471 [0,0,0,1,0,1|1,0,0]=3 11228 B17R2.294946 CC(OCCSc1ccccc1)C2CCC2 34a_100000766398_100000246102 [0,0,0,1,0,1|1,0,0]=3 11229 B17R2.294946 CC(OCCSc1ccccc1)C2CCC2 7a_100000766398_100000246102 [0,0,0,1,0,1|1,0,0]=3 11230 B17R2.294946 CC(OCOCc1ccccc1)C2CCC2 34a_100000766398_100000763385 [0,0,0,1,0,1|1,0,0]=3 11231 B17R2.294946 CC(OCSCc1ccccc1)C2CCC2 34a_100000766398_200011217039 [0,0,0,1,0,1|1,0,0]=3 11232 B17R2.294950 CC(CC1CC1)NCCCc2ccccc2 270004a_100000211184_200000686933 [0,0,0,1,0,1|2,0,0]=4 11233 B17R2.294950 CC(CC1CC1)NCCOc2ccccc2 270004a_100000174943_200000686933 [0,0,0,1,0,1|2,0,0]=4 11234 B17R2.294950 CC(CC1CC1)NCCSc2ccccc2 270004a_100000189519_200000686933 [0,0,0,1,0,1|2,0,0]=4 11235 B17R2.440091 C#CCOC(C)COC1Cc2c1cccc2 7a_200000093152_100009813401 [0,0,0,1,0,1|0,0,2]=4 11236 B17R2.440091 CCCCC(C)COC1Cc2c1cccc2 7a_100011995851_100009813401 [0,0,0,1,0,1|1,0,0]=3 11237 B17R2.440091 CCCCC(C)OCC1Cc2c1cccc2 34a_100012476685_200011215066 [0,0,0,1,0,1|1,0,0]=3 11238 B17R2.440091 CCCCC(C)OCC1Cc2c1cccc2 7a_100012476685_200011215066 [0,0,0,1,0,1|1,0,0]=3 11239 B17R2.440091 COCO[C@H](C)COC1Cc2c1cccc2 7a_100016172286_100009813401 [0,0,0,1,0,1|1,0,0]=3 11240 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Br 269982a_200020626125_100011217064 [0,1,0,1,0,0|2,0,0]=4 11241 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Br 26a_200020626125_100000185759 [0,1,0,1,0,0|2,0,0]=4 11242 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Br 270004a_200020626125_100000186029 [0,1,0,1,0,0|2,0,0]=4 11243 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Br 34a_200020626125_100000189115 [0,1,0,1,0,0|2,0,0]=4 11244 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)C 269982a_200020626125_100000210814 [0,1,0,1,0,0|2,0,0]=4 11245 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)C 26a_200020626125_200020625495 [0,1,0,1,0,0|2,0,0]=4 11246 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)C 270004a_200020626125_100000211033 [0,1,0,1,0,0|2,0,0]=4 11247 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)C 34a_200020626125_100000210814 [0,1,0,1,0,0|2,0,0]=4 11248 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Cl 269982a_200020626125_100000187161 [0,1,0,1,0,0|2,0,0]=4 11249 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Cl 270004a_200020626125_100000189385 [0,1,0,1,0,0|2,0,0]=4 11250 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)Cl 34a_200020626125_100000694040 [0,1,0,1,0,0|2,0,0]=4 11251 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)F 269982a_200020626125_100000198546 [0,1,0,1,0,0|2,0,0]=4 11252 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)F 270004a_200020626125_100000210084 [0,1,0,1,0,0|2,0,0]=4 11253 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)F 34a_200020626125_100000198546 [0,1,0,1,0,0|2,0,0]=4 11254 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)I 269982a_200020626125_100000189116 [0,1,0,1,0,0|2,0,0]=4 11255 B17R2.188 CCCOC1CN(C1)Cc2ccc(cc2)I 34a_200020626125_100000189116 [0,1,0,1,0,0|2,0,0]=4 11256 B17R2.189 CCCOC1CCN(C1)c2ccc(cc2)N 34a_100011773713_100000210303 [0,1,0,1,0,0|2,0,0]=4 11257 B17R2.212 CC1CCC(C1)NCCc2ccc(cc2)Br 270004a_100000755846_100011215218 [0,1,0,1,0,0|2,0,0]=4 11258 B17R2.212 CC1CCC(C1)NCCc2ccc(cc2)Cl 270004a_100000185265_100011215218 [0,1,0,1,0,0|2,0,0]=4 11259 B17R2.212 CC1CCC(C1)NCCc2ccc(cc2)F 270004a_100000199005_100011215218 [0,1,0,1,0,0|2,0,0]=4 11260 B17R2.212 CC1CCC(C1)NCCc2ccc(cc2)O 270004a_100000743037_100011215218 [0,1,0,1,0,0|2,0,0]=4 11261 B17R2.212 CC1CCC(C1)OCCc2ccc(cc2)Br 34a_100000698185_100011740612 [0,1,0,1,0,0|1,0,0]=3 11262 B17R2.212 CC1CCC(C1)OCCc2ccc(cc2)Cl 34a_100000698185_100011713675 [0,1,0,1,0,0|1,0,0]=3 11263 B17R2.212 CC1CCC(C1)OCCc2ccc(cc2)F 34a_100000698185_100011217392 [0,1,0,1,0,0|1,0,0]=3 11264 B17R2.212 CN1CCC(C1)OCCc2ccc(cc2)Br 7a_100000766406_200012183744 [0,1,0,1,0,0|2,0,0]=4 11265 B17R2.212 CN1CCC(C1)OCCc2ccc(cc2)Cl 7a_100011219627_200012183744 [0,1,0,1,0,0|2,0,0]=4 11266 B17R2.212 CN1CCC(C1)OCCc2ccc(cc2)F 7a_100000754732_200012183744 [0,1,0,1,0,0|2,0,0]=4 11267 B17R2.212 CN1CCC(C1)OCCc2ccc(cc2)I 7a_100012291149_200012183744 [0,1,0,1,0,0|2,0,0]=4 11268 B17R2.212 Cc1ccc(cc1)CCNC2CCC(C2)C 270004a_100000705350_100011215218 [0,1,0,1,0,0|2,0,0]=4 11269 B17R2.212 Cc1ccc(cc1)CCOC2CCC(C2)C 34a_100000698185_100011713686 [0,1,0,1,0,0|1,0,0]=3 11270 B17R2.212 Cc1ccc(cc1)CCOC2CCN(C2)C 7a_100000756670_200012183744 [0,1,0,1,0,0|2,0,0]=4 11271 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011740612 [0,1,0,1,0,0|2,0,0]=4 11272 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 270004a_100000755846_100000210434 [0,1,0,1,0,0|2,0,0]=4 11273 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011740612 [0,1,0,1,0,0|2,0,0]=4 11274 B17R2.216 Brc1ccc(cc1)CCNC2CCCCC2 34a_100000755846_100000210327 [0,1,0,1,0,0|2,0,0]=4 11275 B17R2.216 Brc1ccc(cc1)CCOC2C=CCCC2 34a_100011215024_100011740612 [0,1,0,1,0,0|1,0,1]=4 11276 B17R2.216 Brc1ccc(cc1)CCOC2C=CCCC2 7a_100000766406_100000751183 [0,1,0,1,0,0|1,0,1]=4 11277 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011740612 [0,1,0,1,0,0|1,0,0]=3 11278 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 34a_100000766406_100000210327 [0,1,0,1,0,0|1,0,0]=3 11279 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011740612 [0,1,0,1,0,0|1,0,0]=3 11280 B17R2.216 Brc1ccc(cc1)CCOC2CCCCC2 7a_100000766406_100000210327 [0,1,0,1,0,0|1,0,0]=3 11281 B17R2.216 Brc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011740612 [0,1,0,1,0,0|0,0,0]=2 11282 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011740612 [0,1,0,1,0,0|2,0,0]=4 11283 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 34a_100000766406_100000693364 [0,1,0,1,0,0|2,0,0]=4 11284 B17R2.216 Brc1ccc(cc1)CCOC2CCCOC2 7a_100000766406_100000693364 [0,1,0,1,0,0|2,0,0]=4 11285 B17R2.216 Brc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011740612 [0,1,0,1,0,0|2,0,0]=4 11286 B17R2.216 Brc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011740612 [0,1,0,1,0,0|2,0,0]=4 11287 B17R2.216 Brc1ccc(cc1)CCOC2CCOCC2 7a_100000766406_100000686592 [0,1,0,1,0,0|2,0,0]=4 11288 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011740612 [0,1,0,1,0,0|2,0,0]=4 11289 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 34a_100000766406_100000069128 [0,1,0,1,0,0|2,0,0]=4 11290 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011740612 [0,1,0,1,0,0|2,0,0]=4 11291 B17R2.216 Brc1ccc(cc1)CCOC2CCSCC2 7a_100000766406_100011500858 [0,1,0,1,0,0|2,0,0]=4 11292 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100000186029 [0,1,0,1,0,0|2,0,0]=4 11293 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 2230a_100000174875_100000211543 [0,1,0,1,0,0|2,0,0]=4 11294 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100011217064 [0,1,0,1,0,0|2,0,0]=4 11295 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100000186029 [0,1,0,1,0,0|2,0,0]=4 11296 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 34a_100000174875_100000211543 [0,1,0,1,0,0|2,0,0]=4 11297 B17R2.216 Brc1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100000189115 [0,1,0,1,0,0|2,0,0]=4 11298 B17R2.216 Brc1ccc(cc1)COCC2CCCCO2 34a_100000211370_100000189115 [0,1,0,1,0,0|2,0,0]=4 11299 B17R2.216 Brc1ccc(cc1)COCC2CCCCO2 34a_100000695286_100000211543 [0,1,0,1,0,0|2,0,0]=4 11300 B17R2.216 Brc1ccc(cc1)COCC2CCCCO2 7a_100000211370_100011217064 [0,1,0,1,0,0|2,0,0]=4 11301 B17R2.216 Brc1ccc(cc1)CSCC2CCCCO2 62a_100000189115_100000211543 [0,1,0,1,0,0|2,0,0]=4 11302 B17R2.216 Brc1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100000189115 [0,1,0,1,0,0|2,0,0]=4 11303 B17R2.216 Brc1ccc(cc1)NCOC2CCCCC2 2230a_100000210018_100011935260 [0,1,0,1,0,0|2,0,0]=4 11304 B17R2.216 Brc1ccc(cc1)NCOC2CCCCC2 34a_100000210018_100011935260 [0,1,0,1,0,0|2,0,0]=4 11305 B17R2.216 Brc1ccc(cc1)OCOC2CCCCC2 34a_100000185759_100011935260 [0,1,0,1,0,0|2,0,0]=4 11306 B17R2.216 Brc1ccc(cc1)OCOC2CCCCC2 7a_100000185759_100011935260 [0,1,0,1,0,0|2,0,0]=4 11307 B17R2.216 Brc1ccc(cc1)SCOC2CCCCC2 62a_100000752885_100011935260 [0,1,0,1,0,0|2,0,0]=4 11308 B17R2.216 Brc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000752885 [0,1,0,1,0,0|2,0,0]=4 11309 B17R2.216 Brc1ccc(nc1)CCOC2CCCCC2 34a_100012357577_100000210327 [0,1,0,1,0,0|2,0,0]=4 11310 B17R2.216 CC1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100000185489 [0,1,0,1,0,0|2,0,0]=4 11311 B17R2.216 CC1CCC(CC1)NCCc2ccccc2 34a_100000106460_200011216234 [0,1,0,1,0,0|2,0,0]=4 11312 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 34a_100000210268_200011216234 [0,1,0,1,0,0|1,0,0]=3 11313 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 34a_100000210714_100000765856 [0,1,0,1,0,0|1,0,0]=3 11314 B17R2.216 CC1CCC(CC1)OCCc2ccccc2 7a_100000210714_100000765856 [0,1,0,1,0,0|1,0,0]=3 11315 B17R2.216 CC1CCC(CC1)OCCc2ccccn2 34a_100000210271_200011216234 [0,1,0,1,0,0|2,0,0]=4 11316 B17R2.216 CC1CCC(CC1)OCCc2ccccn2 7a_100000210714_100015183660 [0,1,0,1,0,0|2,0,0]=4 11317 B17R2.216 CC1CCC(CC1)OCCc2cccnc2 34a_100011217484_200011216234 [0,1,0,1,0,0|2,0,0]=4 11318 B17R2.216 CC1CCC(CC1)OCCc2cccnc2 7a_100000210714_200011713674 [0,1,0,1,0,0|2,0,0]=4 11319 B17R2.216 CC1CCC(CC1)OCCc2ccncc2 34a_100011216225_200011216234 [0,1,0,1,0,0|2,0,0]=4 11320 B17R2.216 CC1CCC(CC1)OCCc2ccncc2 7a_100000210714_100000723409 [0,1,0,1,0,0|2,0,0]=4 11321 B17R2.216 CC1CCC(CC1)SCCc2ccccc2 62a_100000765856_200011216234 [0,1,0,1,0,0|1,1,0]=4 11322 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccccc2 2230a_100020625639_100000765856 [0,1,0,1,0,0|2,0,0]=4 11323 B17R2.216 C[C@H]1CC[C@@H](CC1)NCCc2ccccc2 34a_100020625639_100000765856 [0,1,0,1,0,0|2,0,0]=4 11324 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011713686 [0,1,0,1,0,0|2,0,0]=4 11325 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 270004a_100000705350_100000210434 [0,1,0,1,0,0|2,0,0]=4 11326 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011713686 [0,1,0,1,0,0|2,0,0]=4 11327 B17R2.216 Cc1ccc(cc1)CCNC2CCCCC2 34a_100000705350_100000210327 [0,1,0,1,0,0|2,0,0]=4 11328 B17R2.216 Cc1ccc(cc1)CCOC2C=CCCC2 34a_100011215024_100011713686 [0,1,0,1,0,0|1,0,1]=4 11329 B17R2.216 Cc1ccc(cc1)CCOC2C=CCCC2 7a_100000756670_100000751183 [0,1,0,1,0,0|1,0,1]=4 11330 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011713686 [0,1,0,1,0,0|1,0,0]=3 11331 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 34a_100000756670_100000210327 [0,1,0,1,0,0|1,0,0]=3 11332 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011713686 [0,1,0,1,0,0|1,0,0]=3 11333 B17R2.216 Cc1ccc(cc1)CCOC2CCCCC2 7a_100000756670_100000210327 [0,1,0,1,0,0|1,0,0]=3 11334 B17R2.216 Cc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011713686 [0,1,0,1,0,0|0,0,0]=2 11335 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011713686 [0,1,0,1,0,0|2,0,0]=4 11336 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 34a_100000756670_100000693364 [0,1,0,1,0,0|2,0,0]=4 11337 B17R2.216 Cc1ccc(cc1)CCOC2CCCOC2 7a_100000756670_100000693364 [0,1,0,1,0,0|2,0,0]=4 11338 B17R2.216 Cc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011713686 [0,1,0,1,0,0|2,0,0]=4 11339 B17R2.216 Cc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011713686 [0,1,0,1,0,0|2,0,0]=4 11340 B17R2.216 Cc1ccc(cc1)CCOC2CCOCC2 7a_100000756670_100000686592 [0,1,0,1,0,0|2,0,0]=4 11341 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011713686 [0,1,0,1,0,0|2,0,0]=4 11342 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 34a_100000756670_100000069128 [0,1,0,1,0,0|2,0,0]=4 11343 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011713686 [0,1,0,1,0,0|2,0,0]=4 11344 B17R2.216 Cc1ccc(cc1)CCOC2CCSCC2 7a_100000756670_100011500858 [0,1,0,1,0,0|2,0,0]=4 11345 B17R2.216 Cc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011713686 [0,1,0,1,0,0|1,1,0]=4 11346 B17R2.216 Cc1ccc(cc1)CCSC2CCCCC2 62a_100011713686_100000210327 [0,1,0,1,0,0|1,1,0]=4 11347 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100000211033 [0,1,0,1,0,0|2,0,0]=4 11348 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 2230a_100000174908_100000211543 [0,1,0,1,0,0|2,0,0]=4 11349 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100000210814 [0,1,0,1,0,0|2,0,0]=4 11350 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100000211033 [0,1,0,1,0,0|2,0,0]=4 11351 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 34a_100000174908_100000211543 [0,1,0,1,0,0|2,0,0]=4 11352 B17R2.216 Cc1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100000210814 [0,1,0,1,0,0|2,0,0]=4 11353 B17R2.216 Cc1ccc(cc1)COCC2CCCCO2 34a_100000211370_100000210814 [0,1,0,1,0,0|2,0,0]=4 11354 B17R2.216 Cc1ccc(cc1)COCC2CCCCO2 34a_100011215236_100000211543 [0,1,0,1,0,0|2,0,0]=4 11355 B17R2.216 Cc1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000210814 [0,1,0,1,0,0|2,0,0]=4 11356 B17R2.216 Cc1ccc(cc1)COCC2CCCCO2 7a_100011215236_100000211543 [0,1,0,1,0,0|2,0,0]=4 11357 B17R2.216 Cc1ccc(cc1)CSCC2CCCCO2 62a_100000210814_100000211543 [0,1,0,1,0,0|2,0,0]=4 11358 B17R2.216 Cc1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100000210814 [0,1,0,1,0,0|2,0,0]=4 11359 B17R2.216 Cc1ccc(cc1)NCOC2CCCCC2 34a_100000124888_100011935260 [0,1,0,1,0,0|2,0,0]=4 11360 B17R2.216 Cc1ccc(cc1)OCOC2CCCCC2 34a_100000210336_100011935260 [0,1,0,1,0,0|2,0,0]=4 11361 B17R2.216 Cc1ccc(cc1)OCOC2CCCCC2 7a_100000210336_100011935260 [0,1,0,1,0,0|2,0,0]=4 11362 B17R2.216 Cc1ccc(cc1)SCOC2CCCCC2 62a_100000186775_100011935260 [0,1,0,1,0,0|2,0,0]=4 11363 B17R2.216 Cc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000186775 [0,1,0,1,0,0|2,0,0]=4 11364 B17R2.216 Cc1ccc(cn1)CCOC2CCCCC2 34a_100011815783_100000210327 [0,1,0,1,0,0|2,0,0]=4 11365 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011713675 [0,1,0,1,0,0|2,0,0]=4 11366 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 270004a_100000185265_100000210434 [0,1,0,1,0,0|2,0,0]=4 11367 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011713675 [0,1,0,1,0,0|2,0,0]=4 11368 B17R2.216 Clc1ccc(cc1)CCNC2CCCCC2 34a_100000185265_100000210327 [0,1,0,1,0,0|2,0,0]=4 11369 B17R2.216 Clc1ccc(cc1)CCOC2C=CCCC2 34a_100011215024_100011713675 [0,1,0,1,0,0|1,0,1]=4 11370 B17R2.216 Clc1ccc(cc1)CCOC2C=CCCC2 7a_100011219627_100000751183 [0,1,0,1,0,0|1,0,1]=4 11371 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011713675 [0,1,0,1,0,0|1,0,0]=3 11372 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 34a_100011219627_100000210327 [0,1,0,1,0,0|1,0,0]=3 11373 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011713675 [0,1,0,1,0,0|1,0,0]=3 11374 B17R2.216 Clc1ccc(cc1)CCOC2CCCCC2 7a_100011219627_100000210327 [0,1,0,1,0,0|1,0,0]=3 11375 B17R2.216 Clc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011713675 [0,1,0,1,0,0|0,0,0]=2 11376 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011713675 [0,1,0,1,0,0|2,0,0]=4 11377 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 34a_100011219627_100000693364 [0,1,0,1,0,0|2,0,0]=4 11378 B17R2.216 Clc1ccc(cc1)CCOC2CCCOC2 7a_100011219627_100000693364 [0,1,0,1,0,0|2,0,0]=4 11379 B17R2.216 Clc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011713675 [0,1,0,1,0,0|2,0,0]=4 11380 B17R2.216 Clc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011713675 [0,1,0,1,0,0|2,0,0]=4 11381 B17R2.216 Clc1ccc(cc1)CCOC2CCOCC2 7a_100011219627_100000686592 [0,1,0,1,0,0|2,0,0]=4 11382 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011713675 [0,1,0,1,0,0|2,0,0]=4 11383 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 34a_100011219627_100000069128 [0,1,0,1,0,0|2,0,0]=4 11384 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011713675 [0,1,0,1,0,0|2,0,0]=4 11385 B17R2.216 Clc1ccc(cc1)CCOC2CCSCC2 7a_100011219627_100011500858 [0,1,0,1,0,0|2,0,0]=4 11386 B17R2.216 Clc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011713675 [0,1,0,1,0,0|1,1,0]=4 11387 B17R2.216 Clc1ccc(cc1)CCSC2CCCCC2 62a_100011713675_100000210327 [0,1,0,1,0,0|1,1,0]=4 11388 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100000189385 [0,1,0,1,0,0|2,0,0]=4 11389 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 2230a_100000174871_100000211543 [0,1,0,1,0,0|2,0,0]=4 11390 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100000694040 [0,1,0,1,0,0|2,0,0]=4 11391 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100000189385 [0,1,0,1,0,0|2,0,0]=4 11392 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 34a_100000174871_100000211543 [0,1,0,1,0,0|2,0,0]=4 11393 B17R2.216 Clc1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100000694040 [0,1,0,1,0,0|2,0,0]=4 11394 B17R2.216 Clc1ccc(cc1)COCC2CCCCO2 34a_100000211118_100000211543 [0,1,0,1,0,0|2,0,0]=4 11395 B17R2.216 Clc1ccc(cc1)COCC2CCCCO2 34a_100000211370_100000694040 [0,1,0,1,0,0|2,0,0]=4 11396 B17R2.216 Clc1ccc(cc1)COCC2CCCCO2 7a_100000211118_100000211543 [0,1,0,1,0,0|2,0,0]=4 11397 B17R2.216 Clc1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000187161 [0,1,0,1,0,0|2,0,0]=4 11398 B17R2.216 Clc1ccc(cc1)CSCC2CCCCO2 62a_100000187161_100000211543 [0,1,0,1,0,0|2,0,0]=4 11399 B17R2.216 Clc1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100000187161 [0,1,0,1,0,0|2,0,0]=4 11400 B17R2.216 Clc1ccc(cc1)NCOC2CCCCC2 2230a_100000210052_100011935260 [0,1,0,1,0,0|2,0,0]=4 11401 B17R2.216 Clc1ccc(cc1)NCOC2CCCCC2 34a_100000210052_100011935260 [0,1,0,1,0,0|2,0,0]=4 11402 B17R2.216 Clc1ccc(cc1)OCOC2CCCCC2 34a_100000210216_100011935260 [0,1,0,1,0,0|2,0,0]=4 11403 B17R2.216 Clc1ccc(cc1)OCOC2CCCCC2 7a_100000210216_100011935260 [0,1,0,1,0,0|2,0,0]=4 11404 B17R2.216 Clc1ccc(cc1)SCOC2CCCCC2 62a_100000755918_100011935260 [0,1,0,1,0,0|2,0,0]=4 11405 B17R2.216 Clc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000755918 [0,1,0,1,0,0|2,0,0]=4 11406 B17R2.216 Clc1ccc(cn1)CCOC2CCCCC2 34a_100009880866_100000210327 [0,1,0,1,0,0|2,0,0]=4 11407 B17R2.216 Clc1ccc(cn1)CCOC2CCCCC2 7a_100009880866_100000210327 [0,1,0,1,0,0|2,0,0]=4 11408 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100011217392 [0,1,0,1,0,0|2,0,0]=4 11409 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 270004a_100000199005_100000210434 [0,1,0,1,0,0|2,0,0]=4 11410 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 34a_100000182618_100011217392 [0,1,0,1,0,0|2,0,0]=4 11411 B17R2.216 Fc1ccc(cc1)CCNC2CCCCC2 34a_100000199005_100000210327 [0,1,0,1,0,0|2,0,0]=4 11412 B17R2.216 Fc1ccc(cc1)CCOC2C=CCCC2 34a_100011215024_100011217392 [0,1,0,1,0,0|1,0,1]=4 11413 B17R2.216 Fc1ccc(cc1)CCOC2C=CCCC2 7a_100000754732_100000751183 [0,1,0,1,0,0|1,0,1]=4 11414 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 34a_100000210231_100011217392 [0,1,0,1,0,0|1,0,0]=3 11415 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 34a_100000754732_100000210327 [0,1,0,1,0,0|1,0,0]=3 11416 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100011217392 [0,1,0,1,0,0|1,0,0]=3 11417 B17R2.216 Fc1ccc(cc1)CCOC2CCCCC2 7a_100000754732_100000210327 [0,1,0,1,0,0|1,0,0]=3 11418 B17R2.216 Fc1ccc(cc1)CCOC2CCCCO2 34a_100000033831_100011217392 [0,1,0,1,0,0|0,0,0]=2 11419 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 34a_100000754041_100011217392 [0,1,0,1,0,0|2,0,0]=4 11420 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 34a_100000754732_100000693364 [0,1,0,1,0,0|2,0,0]=4 11421 B17R2.216 Fc1ccc(cc1)CCOC2CCCOC2 7a_100000754732_100000693364 [0,1,0,1,0,0|2,0,0]=4 11422 B17R2.216 Fc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100011217392 [0,1,0,1,0,0|2,0,0]=4 11423 B17R2.216 Fc1ccc(cc1)CCOC2CCOCC2 34a_100000744328_100011217392 [0,1,0,1,0,0|2,0,0]=4 11424 B17R2.216 Fc1ccc(cc1)CCOC2CCOCC2 7a_100000754732_100000686592 [0,1,0,1,0,0|2,0,0]=4 11425 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 34a_100000731022_100011217392 [0,1,0,1,0,0|2,0,0]=4 11426 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 34a_100000754732_100000069128 [0,1,0,1,0,0|2,0,0]=4 11427 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100011217392 [0,1,0,1,0,0|2,0,0]=4 11428 B17R2.216 Fc1ccc(cc1)CCOC2CCSCC2 7a_100000754732_100011500858 [0,1,0,1,0,0|2,0,0]=4 11429 B17R2.216 Fc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100011217392 [0,1,0,1,0,0|1,1,0]=4 11430 B17R2.216 Fc1ccc(cc1)CCSC2CCCCC2 62a_100011217392_100000210327 [0,1,0,1,0,0|1,1,0]=4 11431 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100000210084 [0,1,0,1,0,0|2,0,0]=4 11432 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 2230a_100000174882_100000211543 [0,1,0,1,0,0|2,0,0]=4 11433 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100000198546 [0,1,0,1,0,0|2,0,0]=4 11434 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 270004a_100000174945_100000210084 [0,1,0,1,0,0|2,0,0]=4 11435 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 34a_100000174882_100000211543 [0,1,0,1,0,0|2,0,0]=4 11436 B17R2.216 Fc1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100000198546 [0,1,0,1,0,0|2,0,0]=4 11437 B17R2.216 Fc1ccc(cc1)COCC2CCCCO2 34a_100000210977_100000211543 [0,1,0,1,0,0|2,0,0]=4 11438 B17R2.216 Fc1ccc(cc1)COCC2CCCCO2 34a_100000211370_100000198546 [0,1,0,1,0,0|2,0,0]=4 11439 B17R2.216 Fc1ccc(cc1)COCC2CCCCO2 7a_100000210977_100000211543 [0,1,0,1,0,0|2,0,0]=4 11440 B17R2.216 Fc1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000198546 [0,1,0,1,0,0|2,0,0]=4 11441 B17R2.216 Fc1ccc(cc1)CSCC2CCCCO2 62a_100000198546_100000211543 [0,1,0,1,0,0|2,0,0]=4 11442 B17R2.216 Fc1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100000187164 [0,1,0,1,0,0|2,0,0]=4 11443 B17R2.216 Fc1ccc(cc1)NCOC2CCCCC2 34a_100000185862_100011935260 [0,1,0,1,0,0|2,0,0]=4 11444 B17R2.216 Fc1ccc(cc1)OCOC2CCCCC2 34a_100000210339_100011935260 [0,1,0,1,0,0|2,0,0]=4 11445 B17R2.216 Fc1ccc(cc1)SCOC2CCCCC2 62a_100000211213_100011935260 [0,1,0,1,0,0|2,0,0]=4 11446 B17R2.216 Fc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000211213 [0,1,0,1,0,0|2,0,0]=4 11447 B17R2.216 Ic1ccc(cc1)CCOC2C=CCCC2 7a_100012291149_100000751183 [0,1,0,1,0,0|1,0,1]=4 11448 B17R2.216 Ic1ccc(cc1)CCOC2CCCCC2 34a_100012291149_100000210327 [0,1,0,1,0,0|1,0,0]=3 11449 B17R2.216 Ic1ccc(cc1)CCOC2CCCCC2 7a_100012291149_100000210327 [0,1,0,1,0,0|1,0,0]=3 11450 B17R2.216 Ic1ccc(cc1)CCOC2CCCOC2 34a_100012291149_100000693364 [0,1,0,1,0,0|2,0,0]=4 11451 B17R2.216 Ic1ccc(cc1)CCOC2CCCOC2 7a_100012291149_100000693364 [0,1,0,1,0,0|2,0,0]=4 11452 B17R2.216 Ic1ccc(cc1)CCOC2CCOCC2 7a_100012291149_100000686592 [0,1,0,1,0,0|2,0,0]=4 11453 B17R2.216 Ic1ccc(cc1)CCOC2CCSCC2 34a_100012291149_100000069128 [0,1,0,1,0,0|2,0,0]=4 11454 B17R2.216 Ic1ccc(cc1)CCOC2CCSCC2 7a_100012291149_100011500858 [0,1,0,1,0,0|2,0,0]=4 11455 B17R2.216 Ic1ccc(cc1)CNCC2CCCCO2 207a_100000174945_100000188517 [0,1,0,1,0,0|2,0,0]=4 11456 B17R2.216 Ic1ccc(cc1)CNCC2CCCCO2 2230a_100000174945_100000189116 [0,1,0,1,0,0|2,0,0]=4 11457 B17R2.216 Ic1ccc(cc1)CNCC2CCCCO2 2230a_100016989417_100000211543 [0,1,0,1,0,0|2,0,0]=4 11458 B17R2.216 Ic1ccc(cc1)CNCC2CCCCO2 34a_100000174945_100000189116 [0,1,0,1,0,0|2,0,0]=4 11459 B17R2.216 Ic1ccc(cc1)CNCC2CCCCO2 34a_100016989417_100000211543 [0,1,0,1,0,0|2,0,0]=4 11460 B17R2.216 Ic1ccc(cc1)COCC2CCCCO2 34a_100000211370_100000189116 [0,1,0,1,0,0|2,0,0]=4 11461 B17R2.216 Ic1ccc(cc1)COCC2CCCCO2 34a_100000690907_100000211543 [0,1,0,1,0,0|2,0,0]=4 11462 B17R2.216 Ic1ccc(cc1)COCC2CCCCO2 7a_100000211370_100000189116 [0,1,0,1,0,0|2,0,0]=4 11463 B17R2.216 Ic1ccc(cc1)COCC2CCCCO2 7a_100000690907_100000211543 [0,1,0,1,0,0|2,0,0]=4 11464 B17R2.216 Ic1ccc(cc1)CSCC2CCCCO2 62a_100000189116_100000211543 [0,1,0,1,0,0|2,0,0]=4 11465 B17R2.216 Ic1ccc(cc1)CSCC2CCCCO2 62a_100000211543_100000189116 [0,1,0,1,0,0|2,0,0]=4 11466 B17R2.216 Ic1ccc(cc1)NCOC2CCCCC2 34a_100000185761_100011935260 [0,1,0,1,0,0|2,0,0]=4 11467 B17R2.216 Ic1ccc(cc1)OCOC2CCCCC2 34a_100000212066_100011935260 [0,1,0,1,0,0|2,0,0]=4 11468 B17R2.216 Ic1ccc(cc1)OCOC2CCCCC2 7a_100000212066_100011935260 [0,1,0,1,0,0|2,0,0]=4 11469 B17R2.216 N[C@H]1CC[C@H](CC1)OCCc2ccccc2 34a_100020628982_100000765856 [0,1,0,1,0,0|1,0,0]=3 11470 B17R2.216 Nc1ccc(cc1)CCOC2CCCCC2 34a_100011204434_100000210327 [0,1,0,1,0,0|1,0,0]=3 11471 B17R2.216 Nc1ccc(cc1)CCOC2CCCOC2 34a_100011204434_100000693364 [0,1,0,1,0,0|2,0,0]=4 11472 B17R2.216 Nc1ccc(cc1)CCOC2CCSCC2 34a_100011204434_100000069128 [0,1,0,1,0,0|2,0,0]=4 11473 B17R2.216 Nc1ccc(cc1)COCC2CCCCO2 34a_100011215238_100000211543 [0,1,0,1,0,0|2,0,0]=4 11474 B17R2.216 Nc1ccc(cc1)OCOC2CCCCC2 34a_100000185829_100011935260 [0,1,0,1,0,0|2,0,0]=4 11475 B17R2.216 Nc1ccc(cc1)SCOC2CCCCC2 62a_100000185761_100011935260 [0,1,0,1,0,0|2,0,0]=4 11476 B17R2.216 Nc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000185761 [0,1,0,1,0,0|2,0,0]=4 11477 B17R2.216 O=C1CCC(CC1)OCCc2ccccc2 34a_100000764474_100000765856 [0,1,0,1,0,0|1,0,1]=4 11478 B17R2.216 O=C1CCC(CC1)OCCc2ccccc2 7a_100000764474_100000765856 [0,1,0,1,0,0|1,0,1]=4 11479 B17R2.216 OC1CCC(CC1)NCCc2ccccc2 270004a_100000106460_100000764474 [0,1,0,1,0,0|2,0,0]=4 11480 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 2230a_100000182618_100009816426 [0,1,0,1,0,0|2,0,0]=4 11481 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 270004a_100000743037_100000210434 [0,1,0,1,0,0|2,0,0]=4 11482 B17R2.216 Oc1ccc(cc1)CCNC2CCCCC2 34a_100000743037_100000210327 [0,1,0,1,0,0|2,0,0]=4 11483 B17R2.216 Oc1ccc(cc1)CCOC2CCCCC2 7a_100000210231_100009816426 [0,1,0,1,0,0|1,0,0]=3 11484 B17R2.216 Oc1ccc(cc1)CCOC2CCCCO2 271570a_203496583355_200010887420 [0,1,0,1,0,0|0,0,0]=2 11485 B17R2.216 Oc1ccc(cc1)CCOC2CCCSC2 7a_100015962668_100009816426 [0,1,0,1,0,0|2,0,0]=4 11486 B17R2.216 Oc1ccc(cc1)CCOC2CCSCC2 7a_100000731022_100009816426 [0,1,0,1,0,0|2,0,0]=4 11487 B17R2.216 Oc1ccc(cc1)CCSC2CCCCC2 62a_100000210327_100009816426 [0,1,0,1,0,0|1,1,0]=4 11488 B17R2.216 Oc1ccc(cc1)CCSC2CCCCC2 62a_100009816426_100000210327 [0,1,0,1,0,0|1,1,0]=4 11489 B17R2.216 Oc1ccc(cc1)CNCC2CCCCO2 34a_100000185549_100000211543 [0,1,0,1,0,0|2,0,0]=4 11490 B17R2.216 Oc1ccc(cc1)NCOC2CCCCC2 34a_100000185829_100011935260 [0,1,0,1,0,0|2,0,0]=4 11491 B17R2.216 Oc1ccc(cc1)SCOC2CCCCC2 62a_100011935260_100000185759 [0,1,0,1,0,0|2,0,0]=4 11492 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Br 2230a_100016991869_100011217064 [0,1,0,1,0,0|2,0,0]=4 11493 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Br 269982a_100016991869_100011217064 [0,1,0,1,0,0|2,0,0]=4 11494 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Br 26a_100016991869_100000185759 [0,1,0,1,0,0|2,0,0]=4 11495 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Br 270004a_100016991869_100000186029 [0,1,0,1,0,0|2,0,0]=4 11496 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Br 34a_100016991869_100000189115 [0,1,0,1,0,0|2,0,0]=4 11497 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Cl 2230a_100016991869_100000694040 [0,1,0,1,0,0|2,0,0]=4 11498 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Cl 269982a_100016991869_100000187161 [0,1,0,1,0,0|2,0,0]=4 11499 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Cl 270004a_100016991869_100000189385 [0,1,0,1,0,0|2,0,0]=4 11500 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)Cl 34a_100016991869_100000694040 [0,1,0,1,0,0|2,0,0]=4 11501 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)F 2230a_100016991869_100000198546 [0,1,0,1,0,0|2,0,0]=4 11502 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)F 269982a_100016991869_100000198546 [0,1,0,1,0,0|2,0,0]=4 11503 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)F 270004a_100016991869_100000210084 [0,1,0,1,0,0|2,0,0]=4 11504 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)F 34a_100016991869_100000198546 [0,1,0,1,0,0|2,0,0]=4 11505 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)I 2230a_100016991869_100000189116 [0,1,0,1,0,0|2,0,0]=4 11506 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)I 269982a_100016991869_100000189116 [0,1,0,1,0,0|2,0,0]=4 11507 B17R2.467 C[C@@H]1CN([C@@H](CO1)C)Cc2ccc(cc2)I 34a_100016991869_100000189116 [0,1,0,1,0,0|2,0,0]=4 11508 B17R2.467 Cc1ccc(cc1)CN2C[C@H](OC[C@H]2C)C 2230a_100016991869_100000210814 [0,1,0,1,0,0|2,0,0]=4 11509 B17R2.467 Cc1ccc(cc1)CN2C[C@H](OC[C@H]2C)C 269982a_100016991869_100000210814 [0,1,0,1,0,0|2,0,0]=4 11510 B17R2.467 Cc1ccc(cc1)CN2C[C@H](OC[C@H]2C)C 26a_100016991869_200020625495 [0,1,0,1,0,0|2,0,0]=4 11511 B17R2.467 Cc1ccc(cc1)CN2C[C@H](OC[C@H]2C)C 270004a_100016991869_100000211033 [0,1,0,1,0,0|2,0,0]=4 11512 B17R2.467 Cc1ccc(cc1)CN2C[C@H](OC[C@H]2C)C 34a_100016991869_100000210814 [0,1,0,1,0,0|2,0,0]=4 11513 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Br 2230a_100000211376_100011740612 [0,1,0,1,0,0|2,0,0]=4 11514 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Br 269982a_100000211376_100011740612 [0,1,0,1,0,0|2,0,0]=4 11515 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Br 34a_100000211376_100011740612 [0,1,0,1,0,0|2,0,0]=4 11516 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Cl 2230a_100000211376_100011713675 [0,1,0,1,0,0|2,0,0]=4 11517 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Cl 269982a_100000211376_100011713675 [0,1,0,1,0,0|2,0,0]=4 11518 B17R2.496 CC1CCCCN1CCc2ccc(cc2)Cl 34a_100000211376_100011713675 [0,1,0,1,0,0|2,0,0]=4 11519 B17R2.496 CC1CCCCN1CCc2ccc(cc2)F 2230a_100000211376_100011217392 [0,1,0,1,0,0|2,0,0]=4 11520 B17R2.496 CC1CCCCN1CCc2ccc(cc2)F 269982a_100000211376_100011217392 [0,1,0,1,0,0|2,0,0]=4 11521 B17R2.496 CC1CCCCN1CCc2ccc(cc2)F 34a_100000211376_100011217392 [0,1,0,1,0,0|2,0,0]=4 11522 B17R2.496 CC1CCCCN1CCc2ccc(cc2)O 2230a_100000211376_100009816426 [0,1,0,1,0,0|2,0,0]=4 11523 B17R2.496 CC1CCCCN1CCc2ccc(cc2)O 269982a_100000211376_100009816426 [0,1,0,1,0,0|2,0,0]=4 11524 B17R2.496 Cc1ccc(cc1)CCN2CCCCC2C 2230a_100000211376_100011713686 [0,1,0,1,0,0|2,0,0]=4 11525 B17R2.496 Cc1ccc(cc1)CCN2CCCCC2C 269982a_100000211376_100011713686 [0,1,0,1,0,0|2,0,0]=4 11526 B17R2.496 Cc1ccc(cc1)CCN2CCCCC2C 34a_100000211376_100011713686 [0,1,0,1,0,0|2,0,0]=4 11527 B17R2.56454 CC(CC1CC1)NCCc2ccc(cc2)Br 270004a_100000755846_200000686933 [0,1,0,1,0,0|2,0,0]=4 11528 B17R2.56454 CC(CC1CC1)NCCc2ccc(cc2)Cl 270004a_100000185265_200000686933 [0,1,0,1,0,0|2,0,0]=4 11529 B17R2.56454 CC(CC1CC1)NCCc2ccc(cc2)F 270004a_100000199005_200000686933 [0,1,0,1,0,0|2,0,0]=4 11530 B17R2.56454 CC(CC1CC1)NCCc2ccc(cc2)O 270004a_100000743037_200000686933 [0,1,0,1,0,0|2,0,0]=4 11531 B17R2.56454 Cc1ccc(cc1)CCNC(C)CC2CC2 270004a_100000705350_200000686933 [0,1,0,1,0,0|2,0,0]=4 11532 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Br)C 2230a_100000687148_100011740612 [0,1,0,1,0,0|2,0,0]=4 11533 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Br)C 269982a_100000687148_100011740612 [0,1,0,1,0,0|2,0,0]=4 11534 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Br)C 34a_100000687148_100011740612 [0,1,0,1,0,0|2,0,0]=4 11535 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Cl)C 2230a_100000687148_100011713675 [0,1,0,1,0,0|2,0,0]=4 11536 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Cl)C 269982a_100000687148_100011713675 [0,1,0,1,0,0|2,0,0]=4 11537 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)Cl)C 34a_100000687148_100011713675 [0,1,0,1,0,0|2,0,0]=4 11538 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)F)C 2230a_100000687148_100011217392 [0,1,0,1,0,0|2,0,0]=4 11539 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)F)C 269982a_100000687148_100011217392 [0,1,0,1,0,0|2,0,0]=4 11540 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)F)C 34a_100000687148_100011217392 [0,1,0,1,0,0|2,0,0]=4 11541 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)O)C 2230a_100000687148_100009816426 [0,1,0,1,0,0|2,0,0]=4 11542 B17R2.57002 CC1CCC(N1CCc2ccc(cc2)O)C 269982a_100000687148_100009816426 [0,1,0,1,0,0|2,0,0]=4 11543 B17R2.57002 Cc1ccc(cc1)CCN2C(CCC2C)C 2230a_100000687148_100011713686 [0,1,0,1,0,0|2,0,0]=4 11544 B17R2.57002 Cc1ccc(cc1)CCN2C(CCC2C)C 269982a_100000687148_100011713686 [0,1,0,1,0,0|2,0,0]=4 11545 B17R2.57002 Cc1ccc(cc1)CCN2C(CCC2C)C 34a_100000687148_100011713686 [0,1,0,1,0,0|2,0,0]=4 11546 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)Br 34a_100000751722_100011740612 [0,1,0,1,0,0|1,0,0]=3 11547 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)Br 7a_100000751722_100011740612 [0,1,0,1,0,0|1,0,0]=3 11548 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)Cl 34a_100000751722_100011713675 [0,1,0,1,0,0|1,0,0]=3 11549 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)Cl 7a_100000751722_100011713675 [0,1,0,1,0,0|1,0,0]=3 11550 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)F 34a_100000751722_100011217392 [0,1,0,1,0,0|1,0,0]=3 11551 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)F 7a_100000751722_100011217392 [0,1,0,1,0,0|1,0,0]=3 11552 B17R2.57066 CC1(CCCC1)OCCc2ccc(cc2)O 7a_100000751722_100009816426 [0,1,0,1,0,0|1,0,0]=3 11553 B17R2.57066 Cc1ccc(cc1)CCOC2(CCCC2)C 34a_100000751722_100011713686 [0,1,0,1,0,0|1,0,0]=3 11554 B17R2.57066 Cc1ccc(cc1)CCOC2(CCCC2)C 7a_100000751722_100011713686 [0,1,0,1,0,0|1,0,0]=3 11555 B17R2.346695 CC(NCCc1ccc(cc1)Br)C2CCC2 2230a_100016994624_100011740612 [0,1,0,1,0,0|2,0,0]=4 11556 B17R2.346695 CC(NCCc1ccc(cc1)Br)C2CCC2 269862a_100000755846_100000760154 [0,1,0,1,0,0|2,0,0]=4 11557 B17R2.346695 CC(NCCc1ccc(cc1)Br)C2CCC2 34a_100016994624_100011740612 [0,1,0,1,0,0|2,0,0]=4 11558 B17R2.346695 CC(NCCc1ccc(cc1)Cl)C2CCC2 2230a_100016994624_100011713675 [0,1,0,1,0,0|2,0,0]=4 11559 B17R2.346695 CC(NCCc1ccc(cc1)Cl)C2CCC2 269862a_100000185265_100000760154 [0,1,0,1,0,0|2,0,0]=4 11560 B17R2.346695 CC(NCCc1ccc(cc1)Cl)C2CCC2 34a_100016994624_100011713675 [0,1,0,1,0,0|2,0,0]=4 11561 B17R2.346695 CC(NCCc1ccc(cc1)F)C2CCC2 2230a_100016994624_100011217392 [0,1,0,1,0,0|2,0,0]=4 11562 B17R2.346695 CC(NCCc1ccc(cc1)F)C2CCC2 269862a_100000199005_100000760154 [0,1,0,1,0,0|2,0,0]=4 11563 B17R2.346695 CC(NCCc1ccc(cc1)F)C2CCC2 34a_100016994624_100011217392 [0,1,0,1,0,0|2,0,0]=4 11564 B17R2.346695 CC(NCCc1ccc(cc1)O)C2CCC2 2230a_100016994624_100009816426 [0,1,0,1,0,0|2,0,0]=4 11565 B17R2.346695 CC(NCCc1ccc(cc1)O)C2CCC2 269862a_100000743037_100000760154 [0,1,0,1,0,0|2,0,0]=4 11566 B17R2.346695 CC(OCCc1ccc(cc1)Br)C2CCC2 34a_100000766398_100011740612 [0,1,0,1,0,0|1,0,0]=3 11567 B17R2.346695 CC(OCCc1ccc(cc1)Br)C2CCC2 7a_100000766398_100011740612 [0,1,0,1,0,0|1,0,0]=3 11568 B17R2.346695 CC(OCCc1ccc(cc1)Cl)C2CCC2 34a_100000766398_100011713675 [0,1,0,1,0,0|1,0,0]=3 11569 B17R2.346695 CC(OCCc1ccc(cc1)Cl)C2CCC2 7a_100000766398_100011713675 [0,1,0,1,0,0|1,0,0]=3 11570 B17R2.346695 CC(OCCc1ccc(cc1)F)C2CCC2 34a_100000766398_100011217392 [0,1,0,1,0,0|1,0,0]=3 11571 B17R2.346695 CC(OCCc1ccc(cc1)F)C2CCC2 7a_100000766398_100011217392 [0,1,0,1,0,0|1,0,0]=3 11572 B17R2.346695 CC(OCCc1ccc(cc1)O)C2CCC2 7a_100000766398_100009816426 [0,1,0,1,0,0|1,0,0]=3 11573 B17R2.346695 Cc1ccc(cc1)CCNC(C)C2CCC2 2230a_100016994624_100011713686 [0,1,0,1,0,0|2,0,0]=4 11574 B17R2.346695 Cc1ccc(cc1)CCNC(C)C2CCC2 269862a_100000705350_100000760154 [0,1,0,1,0,0|2,0,0]=4 11575 B17R2.346695 Cc1ccc(cc1)CCNC(C)C2CCC2 34a_100016994624_100011713686 [0,1,0,1,0,0|2,0,0]=4 11576 B17R2.346695 Cc1ccc(cc1)CCOC(C)C2CCC2 34a_100000766398_100011713686 [0,1,0,1,0,0|1,0,0]=3 11577 B17R2.346695 Cc1ccc(cc1)CCOC(C)C2CCC2 7a_100000766398_100011713686 [0,1,0,1,0,0|1,0,0]=3 11578 B17R2.5296 CC1CCC(C1)NCCc2cccc(c2)Br 270004a_100011207229_100011215218 [0,1,0,1,0,0|2,0,0]=4 11579 B17R2.5296 CC1CCC(C1)NCCc2cccc(c2)Cl 270004a_100000185263_100011215218 [0,1,0,1,0,0|2,0,0]=4 11580 B17R2.5296 CC1CCC(C1)NCCc2cccc(c2)F 270004a_100000205154_100011215218 [0,1,0,1,0,0|2,0,0]=4 11581 B17R2.5296 CC1CCC(C1)OCCc2cccc(c2)Br 34a_100000698185_100011740638 [0,1,0,1,0,0|1,0,0]=3 11582 B17R2.5296 CC1CCC(C1)OCCc2cccc(c2)Cl 34a_100000698185_100011713710 [0,1,0,1,0,0|1,0,0]=3 11583 B17R2.5296 CC1CCC(C1)OCCc2cccc(c2)F 34a_100000698185_100011217235 [0,1,0,1,0,0|1,0,0]=3 11584 B17R2.5296 CN1CCC(C1)OCCc2cccc(c2)Br 7a_100011217444_200012183744 [0,1,0,1,0,0|2,0,0]=4 11585 B17R2.5296 CN1CCC(C1)OCCc2cccc(c2)Cl 7a_100000754733_200012183744 [0,1,0,1,0,0|2,0,0]=4 11586 B17R2.5296 CN1CCC(C1)OCCc2cccc(c2)F 7a_100000763591_200012183744 [0,1,0,1,0,0|2,0,0]=4 11587 B17R2.5296 Cc1cccc(c1)CCNC2CCC(C2)C 270004a_100000749837_100011215218 [0,1,0,1,0,0|2,0,0]=4 11588 B17R2.5296 Cc1cccc(c1)CCOC2CCC(C2)C 34a_100000698185_100011713685 [0,1,0,1,0,0|1,0,0]=3 11589 B17R2.5296 Cc1cccc(c1)CCOC2CCN(C2)C 7a_100011217157_200012183744 [0,1,0,1,0,0|2,0,0]=4 11590 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011740638 [0,1,0,1,0,0|2,0,0]=4 11591 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 270004a_100011207229_100000210434 [0,1,0,1,0,0|2,0,0]=4 11592 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011740638 [0,1,0,1,0,0|2,0,0]=4 11593 B17R2.5301 Brc1cccc(c1)CCNC2CCCCC2 34a_100011207229_100000210327 [0,1,0,1,0,0|2,0,0]=4 11594 B17R2.5301 Brc1cccc(c1)CCOC2C=CCCC2 34a_100011215024_100011740638 [0,1,0,1,0,0|1,0,1]=4 11595 B17R2.5301 Brc1cccc(c1)CCOC2C=CCCC2 7a_100011217444_100000751183 [0,1,0,1,0,0|1,0,1]=4 11596 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011740638 [0,1,0,1,0,0|1,0,0]=3 11597 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 34a_100011217444_100000210327 [0,1,0,1,0,0|1,0,0]=3 11598 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011740638 [0,1,0,1,0,0|1,0,0]=3 11599 B17R2.5301 Brc1cccc(c1)CCOC2CCCCC2 7a_100011217444_100000210327 [0,1,0,1,0,0|1,0,0]=3 11600 B17R2.5301 Brc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011740638 [0,1,0,1,0,0|0,0,0]=2 11601 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011740638 [0,1,0,1,0,0|2,0,0]=4 11602 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 34a_100011217444_100000693364 [0,1,0,1,0,0|2,0,0]=4 11603 B17R2.5301 Brc1cccc(c1)CCOC2CCCOC2 7a_100011217444_100000693364 [0,1,0,1,0,0|2,0,0]=4 11604 B17R2.5301 Brc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011740638 [0,1,0,1,0,0|2,0,0]=4 11605 B17R2.5301 Brc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011740638 [0,1,0,1,0,0|2,0,0]=4 11606 B17R2.5301 Brc1cccc(c1)CCOC2CCOCC2 7a_100011217444_100000686592 [0,1,0,1,0,0|2,0,0]=4 11607 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011740638 [0,1,0,1,0,0|2,0,0]=4 11608 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 34a_100011217444_100000069128 [0,1,0,1,0,0|2,0,0]=4 11609 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011740638 [0,1,0,1,0,0|2,0,0]=4 11610 B17R2.5301 Brc1cccc(c1)CCOC2CCSCC2 7a_100011217444_100011500858 [0,1,0,1,0,0|2,0,0]=4 11611 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000210085 [0,1,0,1,0,0|2,0,0]=4 11612 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100000698116 [0,1,0,1,0,0|2,0,0]=4 11613 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 2230a_100000174977_100000211543 [0,1,0,1,0,0|2,0,0]=4 11614 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000210085 [0,1,0,1,0,0|2,0,0]=4 11615 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 34a_100000174945_100000698116 [0,1,0,1,0,0|2,0,0]=4 11616 B17R2.5301 Brc1cccc(c1)CNCC2CCCCO2 34a_100000174977_100000211543 [0,1,0,1,0,0|2,0,0]=4 11617 B17R2.5301 Brc1cccc(c1)COCC2CCCCO2 34a_100000211370_100000698116 [0,1,0,1,0,0|2,0,0]=4 11618 B17R2.5301 Brc1cccc(c1)COCC2CCCCO2 34a_100000687537_100000211543 [0,1,0,1,0,0|2,0,0]=4 11619 B17R2.5301 Brc1cccc(c1)COCC2CCCCO2 7a_100000211370_100000211773 [0,1,0,1,0,0|2,0,0]=4 11620 B17R2.5301 Brc1cccc(c1)COCC2CCCCO2 7a_100000687537_100000211543 [0,1,0,1,0,0|2,0,0]=4 11621 B17R2.5301 Brc1cccc(c1)CSCC2CCCCO2 62a_100000211543_100000211773 [0,1,0,1,0,0|2,0,0]=4 11622 B17R2.5301 Brc1cccc(c1)CSCC2CCCCO2 62a_100000211773_100000211543 [0,1,0,1,0,0|2,0,0]=4 11623 B17R2.5301 Brc1cccc(c1)NCOC2CCCCC2 34a_100000210019_100011935260 [0,1,0,1,0,0|2,0,0]=4 11624 B17R2.5301 Brc1cccc(c1)OCOC2CCCCC2 34a_100000210342_100011935260 [0,1,0,1,0,0|2,0,0]=4 11625 B17R2.5301 Brc1cccc(c1)OCOC2CCCCC2 7a_100000210342_100011935260 [0,1,0,1,0,0|2,0,0]=4 11626 B17R2.5301 Brc1cccc(c1)SCOC2CCCCC2 62a_100000691529_100011935260 [0,1,0,1,0,0|2,0,0]=4 11627 B17R2.5301 Brc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000691529 [0,1,0,1,0,0|2,0,0]=4 11628 B17R2.5301 Brc1cccc(n1)CCOC2CCCCC2 34a_100010221043_100000210327 [0,1,0,1,0,0|2,0,0]=4 11629 B17R2.5301 Brc1cccc(n1)CCOC2CCCCC2 7a_100010221043_100000210327 [0,1,0,1,0,0|2,0,0]=4 11630 B17R2.5301 CC1=CC(CCC1)OCCc2ccccc2 34a_100011218613_100000765856 [0,1,0,1,0,0|1,0,1]=4 11631 B17R2.5301 CC1CC(CCO1)NCCc2ccccc2 270004a_100000106460_100000755752 [0,1,0,1,0,0|2,0,0]=4 11632 B17R2.5301 CC1CC(CCO1)OCCc2ccccc2 34a_100011986385_100000765856 [0,1,0,1,0,0|1,0,0]=3 11633 B17R2.5301 CC1CC(CCO1)OCCc2ccccc2 7a_100011986385_100000765856 [0,1,0,1,0,0|1,0,0]=3 11634 B17R2.5301 CC1CC(CCO1)OCCc2ccccn2 7a_100011986385_100015183660 [0,1,0,1,0,0|2,0,0]=4 11635 B17R2.5301 CC1CC(CCO1)OCCc2cccnc2 7a_100011986385_200011713674 [0,1,0,1,0,0|2,0,0]=4 11636 B17R2.5301 CC1CC(CCO1)OCCc2ccncc2 7a_100011986385_100000723409 [0,1,0,1,0,0|2,0,0]=4 11637 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 2230a_100011194320_100000765856 [0,1,0,1,0,0|2,0,0]=4 11638 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 270004a_100000106460_100000183594 [0,1,0,1,0,0|2,0,0]=4 11639 B17R2.5301 CC1CCCC(C1)NCCc2ccccc2 34a_100011194320_100000765856 [0,1,0,1,0,0|2,0,0]=4 11640 B17R2.5301 CC1CCCC(C1)OCCc2ccccc2 34a_100000211399_100000765856 [0,1,0,1,0,0|1,0,0]=3 11641 B17R2.5301 CN1CCOC(C1)CNCc2ccccc2 207a_100000747556_100015611070 [0,1,0,1,0,0|2,0,0]=4 11642 B17R2.5301 CN1CCOC(C1)CNCc2ccccc2 270004a_100000747556_100015611070 [0,1,0,1,0,0|2,0,0]=4 11643 B17R2.5301 C[C@@H]1CC(CCN1)NCCc2ccccc2 270004a_100000106460_100016994030 [0,1,0,1,0,0|2,0,0]=4 11644 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011713685 [0,1,0,1,0,0|2,0,0]=4 11645 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 270004a_100000749837_100000210434 [0,1,0,1,0,0|2,0,0]=4 11646 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011713685 [0,1,0,1,0,0|2,0,0]=4 11647 B17R2.5301 Cc1cccc(c1)CCNC2CCCCC2 34a_100000749837_100000210327 [0,1,0,1,0,0|2,0,0]=4 11648 B17R2.5301 Cc1cccc(c1)CCOC2C=CCCC2 34a_100011215024_100011713685 [0,1,0,1,0,0|1,0,1]=4 11649 B17R2.5301 Cc1cccc(c1)CCOC2C=CCCC2 7a_100011217157_100000751183 [0,1,0,1,0,0|1,0,1]=4 11650 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011713685 [0,1,0,1,0,0|1,0,0]=3 11651 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 34a_100011217157_100000210327 [0,1,0,1,0,0|1,0,0]=3 11652 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011713685 [0,1,0,1,0,0|1,0,0]=3 11653 B17R2.5301 Cc1cccc(c1)CCOC2CCCCC2 7a_100011217157_100000210327 [0,1,0,1,0,0|1,0,0]=3 11654 B17R2.5301 Cc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011713685 [0,1,0,1,0,0|0,0,0]=2 11655 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011713685 [0,1,0,1,0,0|2,0,0]=4 11656 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 34a_100011217157_100000693364 [0,1,0,1,0,0|2,0,0]=4 11657 B17R2.5301 Cc1cccc(c1)CCOC2CCCOC2 7a_100011217157_100000693364 [0,1,0,1,0,0|2,0,0]=4 11658 B17R2.5301 Cc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011713685 [0,1,0,1,0,0|2,0,0]=4 11659 B17R2.5301 Cc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011713685 [0,1,0,1,0,0|2,0,0]=4 11660 B17R2.5301 Cc1cccc(c1)CCOC2CCOCC2 7a_100011217157_100000686592 [0,1,0,1,0,0|2,0,0]=4 11661 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011713685 [0,1,0,1,0,0|2,0,0]=4 11662 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 34a_100011217157_100000069128 [0,1,0,1,0,0|2,0,0]=4 11663 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011713685 [0,1,0,1,0,0|2,0,0]=4 11664 B17R2.5301 Cc1cccc(c1)CCOC2CCSCC2 7a_100011217157_100011500858 [0,1,0,1,0,0|2,0,0]=4 11665 B17R2.5301 Cc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011713685 [0,1,0,1,0,0|1,1,0]=4 11666 B17R2.5301 Cc1cccc(c1)CCSC2CCCCC2 62a_100011713685_100000210327 [0,1,0,1,0,0|1,1,0]=4 11667 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000211157 [0,1,0,1,0,0|2,0,0]=4 11668 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100000211840 [0,1,0,1,0,0|2,0,0]=4 11669 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 2230a_100000185548_100000211543 [0,1,0,1,0,0|2,0,0]=4 11670 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000211157 [0,1,0,1,0,0|2,0,0]=4 11671 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 34a_100000174945_100000211840 [0,1,0,1,0,0|2,0,0]=4 11672 B17R2.5301 Cc1cccc(c1)CNCC2CCCCO2 34a_100000185548_100000211543 [0,1,0,1,0,0|2,0,0]=4 11673 B17R2.5301 Cc1cccc(c1)COCC2CCCCO2 34a_100000211370_100000211840 [0,1,0,1,0,0|2,0,0]=4 11674 B17R2.5301 Cc1cccc(c1)COCC2CCCCO2 34a_100011217746_100000211543 [0,1,0,1,0,0|2,0,0]=4 11675 B17R2.5301 Cc1cccc(c1)COCC2CCCCO2 7a_100000211370_100000211840 [0,1,0,1,0,0|2,0,0]=4 11676 B17R2.5301 Cc1cccc(c1)COCC2CCCCO2 7a_100011217746_100000211543 [0,1,0,1,0,0|2,0,0]=4 11677 B17R2.5301 Cc1cccc(c1)CSCC2CCCCO2 62a_100000211543_100000211840 [0,1,0,1,0,0|2,0,0]=4 11678 B17R2.5301 Cc1cccc(c1)CSCC2CCCCO2 62a_100000211840_100000211543 [0,1,0,1,0,0|2,0,0]=4 11679 B17R2.5301 Cc1cccc(c1)NCOC2CCCCC2 2230a_100000188690_100011935260 [0,1,0,1,0,0|2,0,0]=4 11680 B17R2.5301 Cc1cccc(c1)NCOC2CCCCC2 34a_100000188690_100011935260 [0,1,0,1,0,0|2,0,0]=4 11681 B17R2.5301 Cc1cccc(c1)OCOC2CCCCC2 34a_100000210337_100011935260 [0,1,0,1,0,0|2,0,0]=4 11682 B17R2.5301 Cc1cccc(c1)OCOC2CCCCC2 7a_100000210337_100011935260 [0,1,0,1,0,0|2,0,0]=4 11683 B17R2.5301 Cc1cccc(c1)SCOC2CCCCC2 62a_100011215228_100011935260 [0,1,0,1,0,0|2,0,0]=4 11684 B17R2.5301 Cc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100011215228 [0,1,0,1,0,0|2,0,0]=4 11685 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011713710 [0,1,0,1,0,0|2,0,0]=4 11686 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 270004a_100000185263_100000210434 [0,1,0,1,0,0|2,0,0]=4 11687 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011713710 [0,1,0,1,0,0|2,0,0]=4 11688 B17R2.5301 Clc1cccc(c1)CCNC2CCCCC2 34a_100000185263_100000210327 [0,1,0,1,0,0|2,0,0]=4 11689 B17R2.5301 Clc1cccc(c1)CCOC2C=CCCC2 34a_100011215024_100011713710 [0,1,0,1,0,0|1,0,1]=4 11690 B17R2.5301 Clc1cccc(c1)CCOC2C=CCCC2 7a_100000754733_100000751183 [0,1,0,1,0,0|1,0,1]=4 11691 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011713710 [0,1,0,1,0,0|1,0,0]=3 11692 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 34a_100000754733_100000210327 [0,1,0,1,0,0|1,0,0]=3 11693 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011713710 [0,1,0,1,0,0|1,0,0]=3 11694 B17R2.5301 Clc1cccc(c1)CCOC2CCCCC2 7a_100000754733_100000210327 [0,1,0,1,0,0|1,0,0]=3 11695 B17R2.5301 Clc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011713710 [0,1,0,1,0,0|0,0,0]=2 11696 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011713710 [0,1,0,1,0,0|2,0,0]=4 11697 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 34a_100000754733_100000693364 [0,1,0,1,0,0|2,0,0]=4 11698 B17R2.5301 Clc1cccc(c1)CCOC2CCCOC2 7a_100000754733_100000693364 [0,1,0,1,0,0|2,0,0]=4 11699 B17R2.5301 Clc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011713710 [0,1,0,1,0,0|2,0,0]=4 11700 B17R2.5301 Clc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011713710 [0,1,0,1,0,0|2,0,0]=4 11701 B17R2.5301 Clc1cccc(c1)CCOC2CCOCC2 7a_100000754733_100000686592 [0,1,0,1,0,0|2,0,0]=4 11702 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011713710 [0,1,0,1,0,0|2,0,0]=4 11703 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 34a_100000754733_100000069128 [0,1,0,1,0,0|2,0,0]=4 11704 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011713710 [0,1,0,1,0,0|2,0,0]=4 11705 B17R2.5301 Clc1cccc(c1)CCOC2CCSCC2 7a_100000754733_100011500858 [0,1,0,1,0,0|2,0,0]=4 11706 B17R2.5301 Clc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011713710 [0,1,0,1,0,0|1,1,0]=4 11707 B17R2.5301 Clc1cccc(c1)CCSC2CCCCC2 62a_100011713710_100000210327 [0,1,0,1,0,0|1,1,0]=4 11708 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000210801 [0,1,0,1,0,0|2,0,0]=4 11709 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 2230a_100000174878_100000211543 [0,1,0,1,0,0|2,0,0]=4 11710 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100000181238 [0,1,0,1,0,0|2,0,0]=4 11711 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000210801 [0,1,0,1,0,0|2,0,0]=4 11712 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 34a_100000174878_100000211543 [0,1,0,1,0,0|2,0,0]=4 11713 B17R2.5301 Clc1cccc(c1)CNCC2CCCCO2 34a_100000174945_100000187163 [0,1,0,1,0,0|2,0,0]=4 11714 B17R2.5301 Clc1cccc(c1)COCC2CCCCO2 34a_100000211370_100000187163 [0,1,0,1,0,0|2,0,0]=4 11715 B17R2.5301 Clc1cccc(c1)COCC2CCCCO2 34a_100000241301_100000211543 [0,1,0,1,0,0|2,0,0]=4 11716 B17R2.5301 Clc1cccc(c1)COCC2CCCCO2 7a_100000211370_100000187163 [0,1,0,1,0,0|2,0,0]=4 11717 B17R2.5301 Clc1cccc(c1)COCC2CCCCO2 7a_100000241301_100000211543 [0,1,0,1,0,0|2,0,0]=4 11718 B17R2.5301 Clc1cccc(c1)CSCC2CCCCO2 62a_100000187163_100000211543 [0,1,0,1,0,0|2,0,0]=4 11719 B17R2.5301 Clc1cccc(c1)CSCC2CCCCO2 62a_100000211543_100000187163 [0,1,0,1,0,0|2,0,0]=4 11720 B17R2.5301 Clc1cccc(c1)NCOC2CCCCC2 34a_100000185859_100011935260 [0,1,0,1,0,0|2,0,0]=4 11721 B17R2.5301 Clc1cccc(c1)OCOC2CCCCC2 34a_100000210295_100011935260 [0,1,0,1,0,0|2,0,0]=4 11722 B17R2.5301 Clc1cccc(c1)OCOC2CCCCC2 7a_100000210295_100011935260 [0,1,0,1,0,0|2,0,0]=4 11723 B17R2.5301 Clc1cccc(c1)SCOC2CCCCC2 62a_100000699651_100011935260 [0,1,0,1,0,0|2,0,0]=4 11724 B17R2.5301 Clc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000699651 [0,1,0,1,0,0|2,0,0]=4 11725 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 2230a_100000182618_100011217235 [0,1,0,1,0,0|2,0,0]=4 11726 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 270004a_100000205154_100000210434 [0,1,0,1,0,0|2,0,0]=4 11727 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 34a_100000182618_100011217235 [0,1,0,1,0,0|2,0,0]=4 11728 B17R2.5301 Fc1cccc(c1)CCNC2CCCCC2 34a_100000205154_100000210327 [0,1,0,1,0,0|2,0,0]=4 11729 B17R2.5301 Fc1cccc(c1)CCOC2C=CCCC2 34a_100011215024_100011217235 [0,1,0,1,0,0|1,0,1]=4 11730 B17R2.5301 Fc1cccc(c1)CCOC2C=CCCC2 7a_100000763591_100000751183 [0,1,0,1,0,0|1,0,1]=4 11731 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 34a_100000210231_100011217235 [0,1,0,1,0,0|1,0,0]=3 11732 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 34a_100000763591_100000210327 [0,1,0,1,0,0|1,0,0]=3 11733 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 7a_100000210231_100011217235 [0,1,0,1,0,0|1,0,0]=3 11734 B17R2.5301 Fc1cccc(c1)CCOC2CCCCC2 7a_100000763591_100000210327 [0,1,0,1,0,0|1,0,0]=3 11735 B17R2.5301 Fc1cccc(c1)CCOC2CCCCO2 34a_100000033831_100011217235 [0,1,0,1,0,0|0,0,0]=2 11736 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 34a_100000754041_100011217235 [0,1,0,1,0,0|2,0,0]=4 11737 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 34a_100000763591_100000693364 [0,1,0,1,0,0|2,0,0]=4 11738 B17R2.5301 Fc1cccc(c1)CCOC2CCCOC2 7a_100000763591_100000693364 [0,1,0,1,0,0|2,0,0]=4 11739 B17R2.5301 Fc1cccc(c1)CCOC2CCCSC2 7a_100015962668_100011217235 [0,1,0,1,0,0|2,0,0]=4 11740 B17R2.5301 Fc1cccc(c1)CCOC2CCOCC2 34a_100000744328_100011217235 [0,1,0,1,0,0|2,0,0]=4 11741 B17R2.5301 Fc1cccc(c1)CCOC2CCOCC2 7a_100000763591_100000686592 [0,1,0,1,0,0|2,0,0]=4 11742 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 34a_100000731022_100011217235 [0,1,0,1,0,0|2,0,0]=4 11743 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 34a_100000763591_100000069128 [0,1,0,1,0,0|2,0,0]=4 11744 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 7a_100000731022_100011217235 [0,1,0,1,0,0|2,0,0]=4 11745 B17R2.5301 Fc1cccc(c1)CCOC2CCSCC2 7a_100000763591_100011500858 [0,1,0,1,0,0|2,0,0]=4 11746 B17R2.5301 Fc1cccc(c1)CCSC2CCCCC2 62a_100000210327_100011217235 [0,1,0,1,0,0|1,1,0]=4 11747 B17R2.5301 Fc1cccc(c1)CCSC2CCCCC2 62a_100011217235_100000210327 [0,1,0,1,0,0|1,1,0]=4 11748 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000210812 [0,1,0,1,0,0|2,0,0]=4 11749 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100000230114 [0,1,0,1,0,0|2,0,0]=4 11750 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 2230a_100000174948_100000211543 [0,1,0,1,0,0|2,0,0]=4 11751 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000210812 [0,1,0,1,0,0|2,0,0]=4 11752 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 34a_100000174945_100000187166 [0,1,0,1,0,0|2,0,0]=4 11753 B17R2.5301 Fc1cccc(c1)CNCC2CCCCO2 34a_100000174948_100000211543 [0,1,0,1,0,0|2,0,0]=4 11754 B17R2.5301 Fc1cccc(c1)COCC2CCCCO2 34a_100000210976_100000211543 [0,1,0,1,0,0|2,0,0]=4 11755 B17R2.5301 Fc1cccc(c1)COCC2CCCCO2 34a_100000211370_100000187166 [0,1,0,1,0,0|2,0,0]=4 11756 B17R2.5301 Fc1cccc(c1)COCC2CCCCO2 7a_100000210976_100000211543 [0,1,0,1,0,0|2,0,0]=4 11757 B17R2.5301 Fc1cccc(c1)COCC2CCCCO2 7a_100000211370_100000230114 [0,1,0,1,0,0|2,0,0]=4 11758 B17R2.5301 Fc1cccc(c1)CSCC2CCCCO2 62a_100000211543_100000230114 [0,1,0,1,0,0|2,0,0]=4 11759 B17R2.5301 Fc1cccc(c1)CSCC2CCCCO2 62a_100000230114_100000211543 [0,1,0,1,0,0|2,0,0]=4 11760 B17R2.5301 Fc1cccc(c1)NCOC2CCCCC2 34a_100000210047_100011935260 [0,1,0,1,0,0|2,0,0]=4 11761 B17R2.5301 Fc1cccc(c1)OCOC2CCCCC2 34a_100000210426_100011935260 [0,1,0,1,0,0|2,0,0]=4 11762 B17R2.5301 Fc1cccc(c1)OCOC2CCCCC2 7a_100000210426_100011935260 [0,1,0,1,0,0|2,0,0]=4 11763 B17R2.5301 Fc1cccc(c1)SCOC2CCCCC2 62a_100000685547_100011935260 [0,1,0,1,0,0|2,0,0]=4 11764 B17R2.5301 Fc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000685547 [0,1,0,1,0,0|2,0,0]=4 11765 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000014684 [0,1,0,1,0,0|2,0,0]=4 11766 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 2230a_100000106179_100000211543 [0,1,0,1,0,0|2,0,0]=4 11767 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100011218688 [0,1,0,1,0,0|2,0,0]=4 11768 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000014684 [0,1,0,1,0,0|2,0,0]=4 11769 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 34a_100000106179_100000211543 [0,1,0,1,0,0|2,0,0]=4 11770 B17R2.5301 Ic1cccc(c1)CNCC2CCCCO2 34a_100000174945_100011218688 [0,1,0,1,0,0|2,0,0]=4 11771 B17R2.5301 Ic1cccc(c1)COCC2CCCCO2 34a_100000211370_100011218688 [0,1,0,1,0,0|2,0,0]=4 11772 B17R2.5301 Ic1cccc(c1)COCC2CCCCO2 34a_100011215336_100000211543 [0,1,0,1,0,0|2,0,0]=4 11773 B17R2.5301 Ic1cccc(c1)COCC2CCCCO2 7a_100000211370_100011218688 [0,1,0,1,0,0|2,0,0]=4 11774 B17R2.5301 Ic1cccc(c1)COCC2CCCCO2 7a_100011215336_100000211543 [0,1,0,1,0,0|2,0,0]=4 11775 B17R2.5301 Ic1cccc(c1)CSCC2CCCCO2 62a_100000211543_100011218688 [0,1,0,1,0,0|2,0,0]=4 11776 B17R2.5301 Ic1cccc(c1)CSCC2CCCCO2 62a_100011218688_100000211543 [0,1,0,1,0,0|2,0,0]=4 11777 B17R2.5301 Ic1cccc(c1)NCOC2CCCCC2 34a_100000211102_100011935260 [0,1,0,1,0,0|2,0,0]=4 11778 B17R2.5301 Ic1cccc(c1)OCOC2CCCCC2 34a_100000211634_100011935260 [0,1,0,1,0,0|2,0,0]=4 11779 B17R2.5301 Ic1cccc(c1)OCOC2CCCCC2 7a_100000211634_100011935260 [0,1,0,1,0,0|2,0,0]=4 11780 B17R2.5301 Nc1cccc(c1)CCOC2CCCCC2 34a_100011996697_100000210327 [0,1,0,1,0,0|1,0,0]=3 11781 B17R2.5301 Nc1cccc(c1)CCOC2CCCOC2 34a_100011996697_100000693364 [0,1,0,1,0,0|2,0,0]=4 11782 B17R2.5301 Nc1cccc(c1)CCOC2CCSCC2 34a_100011996697_100000069128 [0,1,0,1,0,0|2,0,0]=4 11783 B17R2.5301 Nc1cccc(c1)COCC2CCCCO2 34a_100000211919_100000211543 [0,1,0,1,0,0|2,0,0]=4 11784 B17R2.5301 Nc1cccc(c1)OCOC2CCCCC2 34a_100000210217_100011935260 [0,1,0,1,0,0|2,0,0]=4 11785 B17R2.5301 Nc1cccc(c1)SCOC2CCCCC2 62a_100000210019_100011935260 [0,1,0,1,0,0|2,0,0]=4 11786 B17R2.5301 Nc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000210019 [0,1,0,1,0,0|2,0,0]=4 11787 B17R2.5301 O=C1CCCC(C1)OCCc2ccccc2 34a_100012613340_100000765856 [0,1,0,1,0,0|1,0,1]=4 11788 B17R2.5301 OC1CCCC(C1)NCCc2ccccc2 2230a_100015190357_100000765856 [0,1,0,1,0,0|2,0,0]=4 11789 B17R2.5301 OC1CCCC(C1)NCCc2ccccc2 270004a_100000106460_100012613340 [0,1,0,1,0,0|2,0,0]=4 11790 B17R2.5301 Oc1cccc(c1)CCNC2CCCCC2 34a_100000747277_100000210327 [0,1,0,1,0,0|2,0,0]=4 11791 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 207a_100000174945_100000188321 [0,1,0,1,0,0|2,0,0]=4 11792 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 2230a_100000174945_100011660834 [0,1,0,1,0,0|2,0,0]=4 11793 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 2230a_100000743036_100000211543 [0,1,0,1,0,0|2,0,0]=4 11794 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 270004a_100000174945_100000188321 [0,1,0,1,0,0|2,0,0]=4 11795 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 34a_100000174945_100011660834 [0,1,0,1,0,0|2,0,0]=4 11796 B17R2.5301 Oc1cccc(c1)CNCC2CCCCO2 34a_100000743036_100000211543 [0,1,0,1,0,0|2,0,0]=4 11797 B17R2.5301 Oc1cccc(c1)COCC2CCCCO2 34a_100000211370_100011660834 [0,1,0,1,0,0|2,0,0]=4 11798 B17R2.5301 Oc1cccc(c1)COCC2CCCCO2 7a_100000211370_100000084143 [0,1,0,1,0,0|2,0,0]=4 11799 B17R2.5301 Oc1cccc(c1)CSCC2CCCCO2 62a_100000211543_100011660834 [0,1,0,1,0,0|2,0,0]=4 11800 B17R2.5301 Oc1cccc(c1)CSCC2CCCCO2 62a_100011660834_100000211543 [0,1,0,1,0,0|2,0,0]=4 11801 B17R2.5301 Oc1cccc(c1)NCOC2CCCCC2 34a_100000210217_100011935260 [0,1,0,1,0,0|2,0,0]=4 11802 B17R2.5301 Oc1cccc(c1)SCOC2CCCCC2 62a_100011935260_100000211634 [0,1,0,1,0,0|2,0,0]=4 11803 B17R2.5301 [S]c1cccc(c1)SCOC2CCCCC2 62a_100011935260_114929384022 [0,1,0,1,0,0|2,0,0]=4 11804 B17R2.5301 [S]c1cccc(c1)SCOC2CCCCC2 62a_114929384022_100011935260 [0,1,0,1,0,0|2,0,0]=4 11805 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Br 269982a_200020626125_100000211773 [0,1,0,1,0,0|2,0,0]=4 11806 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Br 26a_200020626125_100000210342 [0,1,0,1,0,0|2,0,0]=4 11807 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Br 270004a_200020626125_100000210085 [0,1,0,1,0,0|2,0,0]=4 11808 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Br 34a_200020626125_100000698116 [0,1,0,1,0,0|2,0,0]=4 11809 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)C 269982a_200020626125_100000211840 [0,1,0,1,0,0|2,0,0]=4 11810 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)C 270004a_200020626125_100000211157 [0,1,0,1,0,0|2,0,0]=4 11811 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)C 34a_200020626125_100000211840 [0,1,0,1,0,0|2,0,0]=4 11812 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Cl 269982a_200020626125_100000181238 [0,1,0,1,0,0|2,0,0]=4 11813 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Cl 270004a_200020626125_100000210801 [0,1,0,1,0,0|2,0,0]=4 11814 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)Cl 34a_200020626125_100000187163 [0,1,0,1,0,0|2,0,0]=4 11815 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)F 269982a_200020626125_100000230114 [0,1,0,1,0,0|2,0,0]=4 11816 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)F 270004a_200020626125_100000210812 [0,1,0,1,0,0|2,0,0]=4 11817 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)F 34a_200020626125_100000187166 [0,1,0,1,0,0|2,0,0]=4 11818 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)I 269982a_200020626125_100011218688 [0,1,0,1,0,0|2,0,0]=4 11819 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)I 270004a_200020626125_100000014684 [0,1,0,1,0,0|2,0,0]=4 11820 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)I 34a_200020626125_100011218688 [0,1,0,1,0,0|2,0,0]=4 11821 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)O 269982a_200020626125_100000084143 [0,1,0,1,0,0|2,0,0]=4 11822 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)O 270004a_200020626125_100000188321 [0,1,0,1,0,0|2,0,0]=4 11823 B17R2.6538 CCCOC1CN(C1)Cc2cccc(c2)O 34a_200020626125_100011660834 [0,1,0,1,0,0|2,0,0]=4 11824 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Br 2230a_100016991869_100000698116 [0,1,0,1,0,0|2,0,0]=4 11825 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Br 269982a_100016991869_100000211773 [0,1,0,1,0,0|2,0,0]=4 11826 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Br 26a_100016991869_100000210342 [0,1,0,1,0,0|2,0,0]=4 11827 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Br 270004a_100016991869_100000210085 [0,1,0,1,0,0|2,0,0]=4 11828 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Br 34a_100016991869_100000698116 [0,1,0,1,0,0|2,0,0]=4 11829 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Cl 2230a_100016991869_100000181238 [0,1,0,1,0,0|2,0,0]=4 11830 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Cl 269982a_100016991869_100000181238 [0,1,0,1,0,0|2,0,0]=4 11831 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Cl 270004a_100016991869_100000210801 [0,1,0,1,0,0|2,0,0]=4 11832 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)Cl 34a_100016991869_100000187163 [0,1,0,1,0,0|2,0,0]=4 11833 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)F 2230a_100016991869_100000230114 [0,1,0,1,0,0|2,0,0]=4 11834 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)F 269982a_100016991869_100000230114 [0,1,0,1,0,0|2,0,0]=4 11835 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)F 270004a_100016991869_100000210812 [0,1,0,1,0,0|2,0,0]=4 11836 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)F 34a_100016991869_100000187166 [0,1,0,1,0,0|2,0,0]=4 11837 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)I 2230a_100016991869_100011218688 [0,1,0,1,0,0|2,0,0]=4 11838 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)I 269982a_100016991869_100011218688 [0,1,0,1,0,0|2,0,0]=4 11839 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)I 270004a_100016991869_100000014684 [0,1,0,1,0,0|2,0,0]=4 11840 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)I 34a_100016991869_100011218688 [0,1,0,1,0,0|2,0,0]=4 11841 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)O 2230a_100016991869_100011660834 [0,1,0,1,0,0|2,0,0]=4 11842 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)O 269982a_100016991869_100000084143 [0,1,0,1,0,0|2,0,0]=4 11843 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)O 270004a_100016991869_100000188321 [0,1,0,1,0,0|2,0,0]=4 11844 B17R2.41855 C[C@@H]1CN([C@@H](CO1)C)Cc2cccc(c2)O 34a_100016991869_100011660834 [0,1,0,1,0,0|2,0,0]=4 11845 B17R2.41855 Cc1cccc(c1)CN2C[C@H](OC[C@H]2C)C 2230a_100016991869_100000211840 [0,1,0,1,0,0|2,0,0]=4 11846 B17R2.41855 Cc1cccc(c1)CN2C[C@H](OC[C@H]2C)C 269982a_100016991869_100000211840 [0,1,0,1,0,0|2,0,0]=4 11847 B17R2.41855 Cc1cccc(c1)CN2C[C@H](OC[C@H]2C)C 270004a_100016991869_100000211157 [0,1,0,1,0,0|2,0,0]=4 11848 B17R2.41855 Cc1cccc(c1)CN2C[C@H](OC[C@H]2C)C 34a_100016991869_100000211840 [0,1,0,1,0,0|2,0,0]=4 11849 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Br 2230a_100000211376_100011740638 [0,1,0,1,0,0|2,0,0]=4 11850 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Br 269982a_100000211376_100011740638 [0,1,0,1,0,0|2,0,0]=4 11851 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Br 34a_100000211376_100011740638 [0,1,0,1,0,0|2,0,0]=4 11852 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Cl 2230a_100000211376_100011713710 [0,1,0,1,0,0|2,0,0]=4 11853 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Cl 269982a_100000211376_100011713710 [0,1,0,1,0,0|2,0,0]=4 11854 B17R2.41893 CC1CCCCN1CCc2cccc(c2)Cl 34a_100000211376_100011713710 [0,1,0,1,0,0|2,0,0]=4 11855 B17R2.41893 CC1CCCCN1CCc2cccc(c2)F 2230a_100000211376_100011217235 [0,1,0,1,0,0|2,0,0]=4 11856 B17R2.41893 CC1CCCCN1CCc2cccc(c2)F 269982a_100000211376_100011217235 [0,1,0,1,0,0|2,0,0]=4 11857 B17R2.41893 CC1CCCCN1CCc2cccc(c2)F 34a_100000211376_100011217235 [0,1,0,1,0,0|2,0,0]=4 11858 B17R2.41893 Cc1cccc(c1)CCN2CCCCC2C 2230a_100000211376_100011713685 [0,1,0,1,0,0|2,0,0]=4 11859 B17R2.41893 Cc1cccc(c1)CCN2CCCCC2C 269982a_100000211376_100011713685 [0,1,0,1,0,0|2,0,0]=4 11860 B17R2.41893 Cc1cccc(c1)CCN2CCCCC2C 34a_100000211376_100011713685 [0,1,0,1,0,0|2,0,0]=4 11861 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Br)C 2230a_100000687148_100011740638 [0,1,0,1,0,0|2,0,0]=4 11862 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Br)C 269982a_100000687148_100011740638 [0,1,0,1,0,0|2,0,0]=4 11863 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Br)C 34a_100000687148_100011740638 [0,1,0,1,0,0|2,0,0]=4 11864 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Cl)C 2230a_100000687148_100011713710 [0,1,0,1,0,0|2,0,0]=4 11865 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Cl)C 269982a_100000687148_100011713710 [0,1,0,1,0,0|2,0,0]=4 11866 B17R2.150275 CC1CCC(N1CCc2cccc(c2)Cl)C 34a_100000687148_100011713710 [0,1,0,1,0,0|2,0,0]=4 11867 B17R2.150275 CC1CCC(N1CCc2cccc(c2)F)C 2230a_100000687148_100011217235 [0,1,0,1,0,0|2,0,0]=4 11868 B17R2.150275 CC1CCC(N1CCc2cccc(c2)F)C 269982a_100000687148_100011217235 [0,1,0,1,0,0|2,0,0]=4 11869 B17R2.150275 CC1CCC(N1CCc2cccc(c2)F)C 34a_100000687148_100011217235 [0,1,0,1,0,0|2,0,0]=4 11870 B17R2.150275 Cc1cccc(c1)CCN2C(CCC2C)C 2230a_100000687148_100011713685 [0,1,0,1,0,0|2,0,0]=4 11871 B17R2.150275 Cc1cccc(c1)CCN2C(CCC2C)C 269982a_100000687148_100011713685 [0,1,0,1,0,0|2,0,0]=4 11872 B17R2.150275 Cc1cccc(c1)CCN2C(CCC2C)C 34a_100000687148_100011713685 [0,1,0,1,0,0|2,0,0]=4 11873 B17R2.150329 CC(NCCc1cccc(c1)Br)C2CCC2 2230a_100016994624_100011740638 [0,1,0,1,0,0|2,0,0]=4 11874 B17R2.150329 CC(NCCc1cccc(c1)Br)C2CCC2 269862a_100011207229_100000760154 [0,1,0,1,0,0|2,0,0]=4 11875 B17R2.150329 CC(NCCc1cccc(c1)Br)C2CCC2 34a_100016994624_100011740638 [0,1,0,1,0,0|2,0,0]=4 11876 B17R2.150329 CC(NCCc1cccc(c1)Cl)C2CCC2 2230a_100016994624_100011713710 [0,1,0,1,0,0|2,0,0]=4 11877 B17R2.150329 CC(NCCc1cccc(c1)Cl)C2CCC2 269862a_100000185263_100000760154 [0,1,0,1,0,0|2,0,0]=4 11878 B17R2.150329 CC(NCCc1cccc(c1)Cl)C2CCC2 34a_100016994624_100011713710 [0,1,0,1,0,0|2,0,0]=4 11879 B17R2.150329 CC(NCCc1cccc(c1)F)C2CCC2 2230a_100016994624_100011217235 [0,1,0,1,0,0|2,0,0]=4 11880 B17R2.150329 CC(NCCc1cccc(c1)F)C2CCC2 269862a_100000205154_100000760154 [0,1,0,1,0,0|2,0,0]=4 11881 B17R2.150329 CC(NCCc1cccc(c1)F)C2CCC2 34a_100016994624_100011217235 [0,1,0,1,0,0|2,0,0]=4 11882 B17R2.150329 CC(NCCc1cccc(c1)O)C2CCC2 269862a_100000747277_100000760154 [0,1,0,1,0,0|2,0,0]=4 11883 B17R2.150329 CC(OCCc1cccc(c1)Br)C2CCC2 34a_100000766398_100011740638 [0,1,0,1,0,0|1,0,0]=3 11884 B17R2.150329 CC(OCCc1cccc(c1)Br)C2CCC2 7a_100000766398_100011740638 [0,1,0,1,0,0|1,0,0]=3 11885 B17R2.150329 CC(OCCc1cccc(c1)Cl)C2CCC2 34a_100000766398_100011713710 [0,1,0,1,0,0|1,0,0]=3 11886 B17R2.150329 CC(OCCc1cccc(c1)Cl)C2CCC2 7a_100000766398_100011713710 [0,1,0,1,0,0|1,0,0]=3 11887 B17R2.150329 CC(OCCc1cccc(c1)F)C2CCC2 34a_100000766398_100011217235 [0,1,0,1,0,0|1,0,0]=3 11888 B17R2.150329 CC(OCCc1cccc(c1)F)C2CCC2 7a_100000766398_100011217235 [0,1,0,1,0,0|1,0,0]=3 11889 B17R2.150329 Cc1cccc(c1)CCNC(C)C2CCC2 2230a_100016994624_100011713685 [0,1,0,1,0,0|2,0,0]=4 11890 B17R2.150329 Cc1cccc(c1)CCNC(C)C2CCC2 269862a_100000749837_100000760154 [0,1,0,1,0,0|2,0,0]=4 11891 B17R2.150329 Cc1cccc(c1)CCNC(C)C2CCC2 34a_100016994624_100011713685 [0,1,0,1,0,0|2,0,0]=4 11892 B17R2.150329 Cc1cccc(c1)CCOC(C)C2CCC2 34a_100000766398_100011713685 [0,1,0,1,0,0|1,0,0]=3 11893 B17R2.150329 Cc1cccc(c1)CCOC(C)C2CCC2 7a_100000766398_100011713685 [0,1,0,1,0,0|1,0,0]=3 11894 B17R2.273188 CC(CC1CC1)NCCc2cccc(c2)Br 270004a_100011207229_200000686933 [0,1,0,1,0,0|2,0,0]=4 11895 B17R2.273188 CC(CC1CC1)NCCc2cccc(c2)Cl 270004a_100000185263_200000686933 [0,1,0,1,0,0|2,0,0]=4 11896 B17R2.273188 CC(CC1CC1)NCCc2cccc(c2)F 270004a_100000205154_200000686933 [0,1,0,1,0,0|2,0,0]=4 11897 B17R2.273188 Cc1cccc(c1)CCNC(C)CC2CC2 270004a_100000749837_200000686933 [0,1,0,1,0,0|2,0,0]=4 11898 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)Br 34a_100000751722_100011740638 [0,1,0,1,0,0|1,0,0]=3 11899 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)Br 7a_100000751722_100011740638 [0,1,0,1,0,0|1,0,0]=3 11900 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)Cl 34a_100000751722_100011713710 [0,1,0,1,0,0|1,0,0]=3 11901 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)Cl 7a_100000751722_100011713710 [0,1,0,1,0,0|1,0,0]=3 11902 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)F 34a_100000751722_100011217235 [0,1,0,1,0,0|1,0,0]=3 11903 B17R2.273865 CC1(CCCC1)OCCc2cccc(c2)F 7a_100000751722_100011217235 [0,1,0,1,0,0|1,0,0]=3 11904 B17R2.273865 Cc1cccc(c1)CCOC2(CCCC2)C 34a_100000751722_100011713685 [0,1,0,1,0,0|1,0,0]=3 11905 B17R2.273865 Cc1cccc(c1)CCOC2(CCCC2)C 7a_100000751722_100011713685 [0,1,0,1,0,0|1,0,0]=3 11906 B17R2.30 CCCNC1CCC(CC1)c2ccccc2 270004a_100020643023_100000184041 [0,1,0,1,0,0|2,0,0]=4 11907 B17R2.30 CCCNC1CCC(CC1)c2ccccc2 34a_100000737527_100000210303 [0,1,0,1,0,0|2,0,0]=4 11908 B17R2.30 CCCOC1CCN(CC1)c2ccccc2 34a_100011217652_100000210303 [0,1,0,1,0,0|2,0,0]=4 11909 B17R2.30 CCCOC1CCN(CC1)c2ccccc2 7a_100011217652_100000210303 [0,1,0,1,0,0|2,0,0]=4 11910 B17R2.30 CCCO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_100000210303 [0,1,0,1,0,0|1,0,0]=3 11911 B17R2.30 CCCO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_100000210303 [0,1,0,1,0,0|1,0,0]=3 11912 B17R2.30 CCCO[C@H]1CO[C@H](OC1)c2ccccc2 34a_100015291175_100000210303 [0,1,0,1,0,0|2,0,0]=4 11913 B17R2.30 CCCO[C@H]1CO[C@H](OC1)c2ccccc2 7a_100015291175_100000210303 [0,1,0,1,0,0|2,0,0]=4 11914 B17R2.30 CSCO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_100011218213 [0,1,0,1,0,0|2,0,0]=4 11915 B17R2.30 FCCO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_100011217306 [0,1,0,1,0,0|2,0,0]=4 11916 B17R2.30 FCCO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_100011217306 [0,1,0,1,0,0|2,0,0]=4 11917 B17R2.30 OCCO[C@H]1CC[C@H](CC1)c2ccccc2 34a_100116294895_100000211926 [0,1,0,1,0,0|2,0,0]=4 11918 B17R2.30 OCCO[C@H]1CC[C@H](CC1)c2ccccc2 7a_100116294895_100000211926 [0,1,0,1,0,0|2,0,0]=4 11919 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000756946 [0,1,0,1,0,0|2,0,0]=4 11920 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000182618_100000212034 [0,1,0,1,0,0|2,0,0]=4 11921 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 270004a_100000701038_100000210434 [0,1,0,1,0,0|2,0,0]=4 11922 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000756946 [0,1,0,1,0,0|2,0,0]=4 11923 B17R2.2342 CC(CNC1CCCCC1)c2ccccc2 34a_100000701038_100000210327 [0,1,0,1,0,0|2,0,0]=4 11924 B17R2.2342 CC(COC1C=CCCC1)c2ccccc2 34a_100011215024_100000756946 [0,1,0,1,0,0|1,0,1]=4 11925 B17R2.2342 CC(COC1C=CCCC1)c2ccccc2 7a_100011215166_100000751183 [0,1,0,1,0,0|1,0,1]=4 11926 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000756946 [0,1,0,1,0,0|1,0,0]=3 11927 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 34a_100011215166_100000210327 [0,1,0,1,0,0|1,0,0]=3 11928 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000756946 [0,1,0,1,0,0|1,0,0]=3 11929 B17R2.2342 CC(COC1CCCCC1)c2ccccc2 7a_100011215166_100000210327 [0,1,0,1,0,0|1,0,0]=3 11930 B17R2.2342 CC(COC1CCCCO1)c2ccccc2 34a_100000033831_100000756946 [0,1,0,1,0,0|0,0,0]=2 11931 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100000754041_100000756946 [0,1,0,1,0,0|2,0,0]=4 11932 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 34a_100011215166_100000693364 [0,1,0,1,0,0|2,0,0]=4 11933 B17R2.2342 CC(COC1CCCOC1)c2ccccc2 7a_100011215166_100000693364 [0,1,0,1,0,0|2,0,0]=4 11934 B17R2.2342 CC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000756946 [0,1,0,1,0,0|2,0,0]=4 11935 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 34a_100000744328_100000756946 [0,1,0,1,0,0|2,0,0]=4 11936 B17R2.2342 CC(COC1CCOCC1)c2ccccc2 7a_100011215166_100000686592 [0,1,0,1,0,0|2,0,0]=4 11937 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000756946 [0,1,0,1,0,0|2,0,0]=4 11938 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 34a_100011215166_100000069128 [0,1,0,1,0,0|2,0,0]=4 11939 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000756946 [0,1,0,1,0,0|2,0,0]=4 11940 B17R2.2342 CC(COC1CCSCC1)c2ccccc2 7a_100011215166_100011500858 [0,1,0,1,0,0|2,0,0]=4 11941 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000756946 [0,1,0,1,0,0|1,1,0]=4 11942 B17R2.2342 CC(CSC1CCCCC1)c2ccccc2 62a_100000756946_100000210327 [0,1,0,1,0,0|1,1,0]=4 11943 B17R2.2342 CC(NCC1CCCCO1)c2ccccc2 2230a_100000174945_100000230085 [0,1,0,1,0,0|2,0,0]=4 11944 B17R2.2342 CC(NCC1CCCCO1)c2ccccc2 269862a_100000174945_100000185851 [0,1,0,1,0,0|2,0,0]=4 11945 B17R2.2342 CC(NCC1CCCCO1)c2ccccc2 34a_100000174945_100000211855 [0,1,0,1,0,0|2,0,0]=4 11946 B17R2.2342 CC(OCC1CCCCO1)c2ccccc2 34a_100000211370_100000211855 [0,1,0,1,0,0|2,0,0]=4 11947 B17R2.2342 CC(OCC1CCCCO1)c2ccccc2 7a_100000211370_100000230085 [0,1,0,1,0,0|2,0,0]=4 11948 B17R2.2342 CC(SCC1CCCCO1)c2ccccc2 62a_100000211543_100000230085 [0,1,0,1,0,0|2,0,0]=4 11949 B17R2.2342 CC(SCC1CCCCO1)c2ccccc2 62a_100000230085_100000211543 [0,1,0,1,0,0|2,0,0]=4 11950 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 2230a_100000207522_100000765856 [0,1,0,1,0,0|2,0,0]=4 11951 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 2230a_100015187258_200000210301 [0,1,0,1,0,0|2,0,0]=4 11952 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100000207497_100000210327 [0,1,0,1,0,0|2,0,0]=4 11953 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100000207522_100000765856 [0,1,0,1,0,0|2,0,0]=4 11954 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 269982a_100015187258_200000210301 [0,1,0,1,0,0|2,0,0]=4 11955 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 270004a_100000207497_100000210434 [0,1,0,1,0,0|2,0,0]=4 11956 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 34a_100000207522_100000765856 [0,1,0,1,0,0|2,0,0]=4 11957 B17R2.2342 CN(CCc1ccccc1)C2CCCCC2 34a_100015187258_200000210301 [0,1,0,1,0,0|2,0,0]=4 11958 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 2230a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 11959 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 269982a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 11960 B17R2.2342 CN(COC1CCCCC1)c2ccccc2 34a_100000210012_100011935260 [0,1,0,1,0,0|2,0,0]=4 11961 B17R2.2342 C[C@@H](NCC1CCCCO1)c2ccccc2 2230a_100000751104_100000211543 [0,1,0,1,0,0|2,0,0]=4 11962 B17R2.2342 C[C@@H](OCC1CCCCO1)c2ccccc2 34a_100000761318_100000211543 [0,1,0,1,0,0|2,0,0]=4 11963 B17R2.2342 C[C@@H](OCC1CCCCO1)c2ccccc2 7a_100000761318_100000211543 [0,1,0,1,0,0|2,0,0]=4 11964 B17R2.2342 N[C@H](COC1CCCCC1)c2ccccc2 34a_100000751927_100000210327 [0,1,0,1,0,0|1,0,0]=3 11965 B17R2.2342 N[C@H](COC1CCCCC1)c2ccncc2 34a_100138412524_100000210327 [0,1,0,1,0,0|2,0,0]=4 11966 B17R2.2342 N[C@H](COC1CCCOC1)c2ccccc2 34a_100000751927_100000693364 [0,1,0,1,0,0|2,0,0]=4 11967 B17R2.2342 N[C@H](COC1CCSCC1)c2ccccc2 34a_100000751927_100000069128 [0,1,0,1,0,0|2,0,0]=4 11968 B17R2.2342 O=C(CCc1ccccc1)C2CCCCC2 1458a_100000185753_100000210327 [0,1,0,1,0,0|2,0,0]=4 11969 B17R2.2342 O=C(CCc1ccccc1)C2CCCCC2 1458a_100000210647_100000765856 [0,1,0,1,0,0|2,0,0]=4 11970 B17R2.2342 O=C(CCc1ccccc1)C2CCCCO2 1458a_100000748299_100000765856 [0,1,0,1,0,0|1,0,0]=3 11971 B17R2.2342 O=C(CCc1ccccc1)C2COCCO2 1458a_100000045528_100000765856 [0,1,0,1,0,0|2,0,0]=4 11972 B17R2.2342 O=C(CCc1ccccn1)C2CCCCO2 1458a_100000748299_100015183660 [0,1,0,1,0,0|2,0,0]=4 11973 B17R2.2342 O=C(CCc1cccnc1)C2CCCCO2 1458a_100000748299_200011713674 [0,1,0,1,0,0|2,0,0]=4 11974 B17R2.2342 O=C(CCc1ccncc1)C2CCCCO2 1458a_100000748299_100000723409 [0,1,0,1,0,0|2,0,0]=4 11975 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 1458a_100000185807_100011935260 [0,1,0,1,0,0|1,0,1]=4 11976 B17R2.2342 O=C(COC1CCCCC1)c2ccccc2 7a_100000210231_100000211460 [0,1,0,1,0,0|1,0,1]=4 11977 B17R2.2342 O=C(COC1CCCCO1)c2ccccn2 34a_100000033831_100000027445 [0,1,0,1,0,0|1,0,1]=4 11978 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 11a_100015324214_100000748299 [0,1,0,1,0,0|2,0,0]=4 11979 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 1626a_100015324214_100000748299 [0,1,0,1,0,0|2,0,0]=4 11980 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 240690a_100015324214_100000748299 [0,1,0,1,0,0|2,0,0]=4 11981 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 527a_100015324214_100000748299 [0,1,0,1,0,0|2,0,0]=4 11982 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 2230a_100000182618_100000185958 [0,1,0,1,0,0|2,0,0]=4 11983 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 270004a_100000210709_100000210434 [0,1,0,1,0,0|2,0,0]=4 11984 B17R2.2342 OC(CNC1CCCCC1)c2ccccc2 34a_100000182618_100000185958 [0,1,0,1,0,0|2,0,0]=4 11985 B17R2.2342 OC(COC1C=CCCC1)c2ccccc2 34a_100011215024_100000185958 [0,1,0,1,0,0|1,0,1]=4 11986 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 34a_100000210231_100000185958 [0,1,0,1,0,0|1,0,0]=3 11987 B17R2.2342 OC(COC1CCCCC1)c2ccccc2 7a_100000210231_100000185958 [0,1,0,1,0,0|1,0,0]=3 11988 B17R2.2342 OC(COC1CCCCO1)c2ccccc2 34a_100000033831_100000185958 [0,1,0,1,0,0|0,0,0]=2 11989 B17R2.2342 OC(COC1CCCOC1)c2ccccc2 34a_100000754041_100000185958 [0,1,0,1,0,0|2,0,0]=4 11990 B17R2.2342 OC(COC1CCCSC1)c2ccccc2 7a_100015962668_100000185958 [0,1,0,1,0,0|2,0,0]=4 11991 B17R2.2342 OC(COC1CCOCC1)c2ccccc2 34a_100000744328_100000185958 [0,1,0,1,0,0|2,0,0]=4 11992 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 34a_100000731022_100000185958 [0,1,0,1,0,0|2,0,0]=4 11993 B17R2.2342 OC(COC1CCSCC1)c2ccccc2 7a_100000731022_100000185958 [0,1,0,1,0,0|2,0,0]=4 11994 B17R2.2342 OC(CSC1CCCCC1)c2ccccc2 62a_100000185958_100000210327 [0,1,0,1,0,0|1,1,0]=4 11995 B17R2.2342 OC(CSC1CCCCC1)c2ccccc2 62a_100000210327_100000185958 [0,1,0,1,0,0|1,1,0]=4 11996 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 2230a_100000182618_100011933945 [0,1,0,1,0,0|2,0,0]=4 11997 B17R2.2342 O[C@H](CNC1CCCCC1)c2ccccc2 34a_100000182618_100011933945 [0,1,0,1,0,0|2,0,0]=4 11998 B17R2.2342 O[C@H](COC1C=CCCC1)c2ccccc2 34a_100011215024_100011933945 [0,1,0,1,0,0|1,0,1]=4 11999 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 34a_100000210231_100011933945 [0,1,0,1,0,0|1,0,0]=3 12000 B17R2.2342 O[C@H](COC1CCCCC1)c2ccccc2 7a_100000210231_100011933945 [0,1,0,1,0,0|1,0,0]=3 12001 B17R2.2342 O[C@H](COC1CCCCO1)c2ccccc2 34a_100000033831_100011933945 [0,1,0,1,0,0|0,0,0]=2 12002 B17R2.2342 O[C@H](COC1CCCOC1)c2ccccc2 34a_100000754041_100011933945 [0,1,0,1,0,0|2,0,0]=4 12003 B17R2.2342 O[C@H](COC1CCCSC1)c2ccccc2 7a_100015962668_100011933945 [0,1,0,1,0,0|2,0,0]=4 12004 B17R2.2342 O[C@H](COC1CCOCC1)c2ccccc2 34a_100000744328_100011933945 [0,1,0,1,0,0|2,0,0]=4 12005 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 34a_100000731022_100011933945 [0,1,0,1,0,0|2,0,0]=4 12006 B17R2.2342 O[C@H](COC1CCSCC1)c2ccccc2 7a_100000731022_100011933945 [0,1,0,1,0,0|2,0,0]=4 12007 B17R2.2342 O[C@H](CSC1CCCCC1)c2ccccc2 62a_100000210327_100011933945 [0,1,0,1,0,0|1,1,0]=4 12008 B17R2.2342 O[C@H](CSC1CCCCC1)c2ccccc2 62a_100011933945_100000210327 [0,1,0,1,0,0|1,1,0]=4 12009 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 2230a_100015187258_200025704644 [0,1,0,1,0,0|2,0,0]=4 12010 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 269982a_100015187258_200025704644 [0,1,0,1,0,0|2,0,0]=4 12011 B17R2.2342 [13CH3]N(CCc1ccccc1)C2CCCCC2 34a_100015187258_200025704644 [0,1,0,1,0,0|2,0,0]=4 12012 B17R2.3241 CC(COC1CCN(C1)C)c2ccccc2 7a_100011215166_200012183744 [0,1,0,1,0,0|2,0,0]=4 12013 B17R2.3241 CC1CCC(C1)NCC(C)c2ccccc2 270004a_100000701038_100011215218 [0,1,0,1,0,0|2,0,0]=4 12014 B17R2.3241 CC1CCC(C1)NCC(O)c2ccccc2 270004a_100000210709_100011215218 [0,1,0,1,0,0|2,0,0]=4 12015 B17R2.3241 CC1CCC(C1)OCC(C)c2ccccc2 34a_100000698185_100000756946 [0,1,0,1,0,0|1,0,0]=3 12016 B17R2.3241 CC1CCC(C1)OCC(O)c2ccccc2 34a_100000698185_100000185958 [0,1,0,1,0,0|1,0,0]=3 12017 B17R2.3241 CC1CCC(C1)OC[C@@H](O)c2ccccc2 34a_100000698185_100011933945 [0,1,0,1,0,0|1,0,0]=3 12018 B17R2.3426 CC(CN1CCCCC1C)c2ccccc2 2230a_100000211376_100000756946 [0,1,0,1,0,0|2,0,0]=4 12019 B17R2.3426 CC(CN1CCCCC1C)c2ccccc2 269982a_100000211376_100000756946 [0,1,0,1,0,0|2,0,0]=4 12020 B17R2.3426 CC(CN1CCCCC1C)c2ccccc2 270004a_100000211376_100000212034 [0,1,0,1,0,0|2,0,0]=4 12021 B17R2.3426 CC(CN1CCCCC1C)c2ccccc2 34a_100000211376_100000756946 [0,1,0,1,0,0|2,0,0]=4 12022 B17R2.3426 CC1CCCCN1CC(O)c2ccccc2 2230a_100000211376_100000185958 [0,1,0,1,0,0|2,0,0]=4 12023 B17R2.3426 CC1CCCCN1CC(O)c2ccccc2 34a_100000211376_100000185958 [0,1,0,1,0,0|2,0,0]=4 12024 B17R2.3426 CC1CCCCN1C[C@@H](O)c2ccccc2 2230a_100000211376_100011933945 [0,1,0,1,0,0|2,0,0]=4 12025 B17R2.3426 CC1CCCCN1C[C@@H](O)c2ccccc2 34a_100000211376_100011933945 [0,1,0,1,0,0|2,0,0]=4 12026 B17R2.5356 CC(c1ccccc1)N2C[C@H](OC[C@H]2C)C 2230a_100016991869_100000230085 [0,1,0,1,0,0|2,0,0]=4 12027 B17R2.5356 CC(c1ccccc1)N2C[C@H](OC[C@H]2C)C 269982a_100016991869_100000230085 [0,1,0,1,0,0|2,0,0]=4 12028 B17R2.5356 CC(c1ccccc1)N2C[C@H](OC[C@H]2C)C 34a_100016991869_100000211855 [0,1,0,1,0,0|2,0,0]=4 12029 B17R2.6560 CCCOC1CN(C1)C(C)c2ccccc2 269982a_200020626125_100000230085 [0,1,0,1,0,0|2,0,0]=4 12030 B17R2.6560 CCCOC1CN(C1)C(C)c2ccccc2 34a_200020626125_100000211855 [0,1,0,1,0,0|2,0,0]=4 12031 B17R2.8659 CC(CN1C(CCC1C)C)c2ccccc2 2230a_100000687148_100000756946 [0,1,0,1,0,0|2,0,0]=4 12032 B17R2.8659 CC(CN1C(CCC1C)C)c2ccccc2 269982a_100000687148_100000756946 [0,1,0,1,0,0|2,0,0]=4 12033 B17R2.8659 CC(CN1C(CCC1C)C)c2ccccc2 34a_100000687148_100000756946 [0,1,0,1,0,0|2,0,0]=4 12034 B17R2.8659 CC1CCC(N1CC(O)c2ccccc2)C 2230a_100000687148_100000185958 [0,1,0,1,0,0|2,0,0]=4 12035 B17R2.8659 CC1CCC(N1CC(O)c2ccccc2)C 34a_100000687148_100000185958 [0,1,0,1,0,0|2,0,0]=4 12036 B17R2.8659 CC1CCC(N1C[C@@H](O)c2ccccc2)C 2230a_100000687148_100011933945 [0,1,0,1,0,0|2,0,0]=4 12037 B17R2.8659 CC1CCC(N1C[C@@H](O)c2ccccc2)C 34a_100000687148_100011933945 [0,1,0,1,0,0|2,0,0]=4 12038 B17R2.45541 CC(CNC(C)C1CCC1)c2ccccc2 2230a_100016994624_100000756946 [0,1,0,1,0,0|2,0,0]=4 12039 B17R2.45541 CC(CNC(C)C1CCC1)c2ccccc2 269862a_100000701038_100000760154 [0,1,0,1,0,0|2,0,0]=4 12040 B17R2.45541 CC(CNC(C)C1CCC1)c2ccccc2 270004a_100016994624_100000212034 [0,1,0,1,0,0|2,0,0]=4 12041 B17R2.45541 CC(CNC(C)C1CCC1)c2ccccc2 34a_100016994624_100000756946 [0,1,0,1,0,0|2,0,0]=4 12042 B17R2.45541 CC(COC(C)C1CCC1)c2ccccc2 34a_100000766398_100000756946 [0,1,0,1,0,0|1,0,0]=3 12043 B17R2.45541 CC(COC(C)C1CCC1)c2ccccc2 7a_100000766398_100000756946 [0,1,0,1,0,0|1,0,0]=3 12044 B17R2.45541 CC(NCC(O)c1ccccc1)C2CCC2 2230a_100016994624_100000185958 [0,1,0,1,0,0|2,0,0]=4 12045 B17R2.45541 CC(NCC(O)c1ccccc1)C2CCC2 269862a_100000210709_100000760154 [0,1,0,1,0,0|2,0,0]=4 12046 B17R2.45541 CC(NCC(O)c1ccccc1)C2CCC2 34a_100016994624_100000185958 [0,1,0,1,0,0|2,0,0]=4 12047 B17R2.45541 CC(NC[C@@H](O)c1ccccc1)C2CCC2 2230a_100016994624_100011933945 [0,1,0,1,0,0|2,0,0]=4 12048 B17R2.45541 CC(NC[C@@H](O)c1ccccc1)C2CCC2 34a_100016994624_100011933945 [0,1,0,1,0,0|2,0,0]=4 12049 B17R2.45541 CC(OCC(=O)c1ccccc1)C2CCC2 7a_100000766398_100000211460 [0,1,0,1,0,0|1,0,1]=4 12050 B17R2.45541 CC(OCC(O)c1ccccc1)C2CCC2 34a_100000766398_100000185958 [0,1,0,1,0,0|1,0,0]=3 12051 B17R2.45541 CC(OCC(O)c1ccccc1)C2CCC2 7a_100000766398_100000185958 [0,1,0,1,0,0|1,0,0]=3 12052 B17R2.45541 CC(OC[C@@H](O)c1ccccc1)C2CCC2 34a_100000766398_100011933945 [0,1,0,1,0,0|1,0,0]=3 12053 B17R2.45541 CC(OC[C@@H](O)c1ccccc1)C2CCC2 7a_100000766398_100011933945 [0,1,0,1,0,0|1,0,0]=3 12054 B17R2.294939 CC(CC1CC1)NCC(C)c2ccccc2 270004a_100000701038_200000686933 [0,1,0,1,0,0|2,0,0]=4 12055 B17R2.294939 CC(CC1CC1)NCC(O)c2ccccc2 270004a_100000210709_200000686933 [0,1,0,1,0,0|2,0,0]=4 12056 B17R2.295596 CC(COC1(CCCC1)C)c2ccccc2 34a_100000751722_100000756946 [0,1,0,1,0,0|1,0,0]=3 12057 B17R2.295596 CC(COC1(CCCC1)C)c2ccccc2 7a_100000751722_100000756946 [0,1,0,1,0,0|1,0,0]=3 12058 B17R2.295596 CC1(CCCC1)OCC(=O)c2ccccc2 7a_100000751722_100000211460 [0,1,0,1,0,0|1,0,1]=4 12059 B17R2.295596 CC1(CCCC1)OCC(O)c2ccccc2 34a_100000751722_100000185958 [0,1,0,1,0,0|1,0,0]=3 12060 B17R2.295596 CC1(CCCC1)OCC(O)c2ccccc2 7a_100000751722_100000185958 [0,1,0,1,0,0|1,0,0]=3 12061 B17R2.295596 CC1(CCCC1)OC[C@@H](O)c2ccccc2 34a_100000751722_100011933945 [0,1,0,1,0,0|1,0,0]=3 12062 B17R2.295596 CC1(CCCC1)OC[C@@H](O)c2ccccc2 7a_100000751722_100011933945 [0,1,0,1,0,0|1,0,0]=3 12063 B17R2.2443 CCC(C)NC1CCC(C1)c2ccccc2 270004a_100000209981_100000750937 [0,1,0,1,0,0|2,0,0]=4 12064 B17R2.2523 CCC1CCC(C1)NCCc2ccccc2 270004a_100000106460_100011218773 [0,1,0,1,0,0|2,0,0]=4 12065 B17R2.2523 CCN1CCC(C1)NCCc2ccccc2 2230a_100015188829_100000765856 [0,1,0,1,0,0|2,0,0]=4 12066 B17R2.2523 CCN1CCC(C1)OCCc2ccccc2 7a_100000210268_200011861547 [0,1,0,1,0,0|1,0,0]=3 12067 B17R2.2523 CCN1CCC(C1)SCCc2ccccc2 62a_100000765856_200011861547 [0,1,0,1,0,0|1,1,0]=4 12068 B17R2.3926 CC(CCCc1ccccc1)N[C@@H]2C[C@@H]2F 2230a_100015190264_200010759516 [0,1,0,1,0,0|2,0,0]=4 12069 B17R2.3926 CC(CCCc1ccccc1)N[C@@H]2C[C@H]2F 2230a_100025746932_200010759516 [0,1,0,1,0,0|2,0,0]=4 12070 B17R2.3926 CC(CCCc1ccccc1)N[C@@H]2C[C@H]2F 34a_100025746932_200010759516 [0,1,0,1,0,0|2,0,0]=4 12071 B17R2.4904 CC(CCCc1ccccc1)N2CCC2C 269982a_100000755817_200010759516 [0,1,0,1,0,0|2,0,0]=4 12072 B17R2.4904 CC(CCCc1ccccc1)N2CCC2C 34a_100000755817_200010759516 [0,1,0,1,0,0|2,0,0]=4 12073 B17R2.45543 CC(CCCc1ccccc1)NC2(CC2)C 2230a_100000757604_200010759516 [0,1,0,1,0,0|2,0,0]=4 12074 B17R2.45543 CC(CCCc1ccccc1)OC2(CC2)C 7a_100011725673_200010759516 [0,1,0,1,0,0|1,0,0]=3 12075 B17R2.87815 CC(CO)OC1(CCCc2c1cccc2)C 34a_200011345745_100012180447 [0,1,0,1,0,0|2,0,0]=4 12076 B17R2.87815 CC(CO)OC1(CCCc2c1cccc2)C 7a_200011345745_100012180447 [0,1,0,1,0,0|2,0,0]=4 12077 B17R2.87815 CCC(C)OC1(CCCc2c1cccc2)C 34a_200011345745_100011215416 [0,1,0,1,0,0|1,0,0]=3 12078 B17R2.87815 CCC(C)OC1(CCCc2c1cccc2)C 7a_200011345745_100000758301 [0,1,0,1,0,0|1,0,0]=3 12079 B17R2.294960 CC(CCCc1ccccc1)NC2CCC2 2230a_100000749019_200010759516 [0,1,0,1,0,0|2,0,0]=4 12080 B17R2.294960 CC(CCCc1ccccc1)NC2CCC2 34a_100000749019_200010759516 [0,1,0,1,0,0|2,0,0]=4 12081 B17R2.294960 CC(CCCc1ccccc1)NC2COC2 2230a_100016991112_200010759516 [0,1,0,1,0,0|2,0,0]=4 12082 B17R2.294960 CC(CCCc1ccccc1)OC2CCC2 34a_100000748187_200010759516 [0,1,0,1,0,0|1,0,0]=3 12083 B17R2.294960 CC(CCCc1ccccc1)OC2CSC2 7a_100000072292_200010759516 [0,1,0,1,0,0|1,0,0]=3 12084 B17R2.294960 CC(CCCc1ccccc1)SC2CCC2 62a_200010759516_100000749161 [0,1,0,1,0,0|1,1,0]=4 12085 B17R2.294960 CC(CCCc1ccccc1)SC2COC2 62a_200010759516_100009818527 [0,1,0,1,0,0|1,1,0]=4 12086 B17R2.294960 CC(COCc1ccccc1)OC2CCC2 34a_100000764311_100000749161 [0,1,0,1,0,0|2,0,0]=4 12087 B17R2.294960 CC(COCc1ccccc1)OC2COC2 34a_100000764311_100009818527 [0,1,0,1,0,0|2,0,0]=4 12088 B17R2.294960 CC(COCc1ccccc1)OC2COC2 7a_100000764311_100009818527 [0,1,0,1,0,0|2,0,0]=4 12089 B17R2.143 CC(Cc1ccccc1)NC2CCCCC2 34a_100000182618_200011218536 [0,1,0,1,0,0|2,0,0]=4 12090 B17R2.143 CC(Cc1ccccc1)OC2C=CCCC2 34a_100011215024_200011218536 [0,1,0,1,0,0|1,0,1]=4 12091 B17R2.143 CC(Cc1ccccc1)OC2C=CCCC2 7a_100000748627_100000751183 [0,1,0,1,0,0|1,0,1]=4 12092 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000210231_200011218536 [0,1,0,1,0,0|1,0,0]=3 12093 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 34a_100000748627_100000210327 [0,1,0,1,0,0|1,0,0]=3 12094 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000210231_200011218536 [0,1,0,1,0,0|1,0,0]=3 12095 B17R2.143 CC(Cc1ccccc1)OC2CCCCC2 7a_100000748627_100000210327 [0,1,0,1,0,0|1,0,0]=3 12096 B17R2.143 CC(Cc1ccccc1)OC2CCCCO2 34a_100000033831_200011218536 [0,1,0,1,0,0|0,0,0]=2 12097 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000748627_100000693364 [0,1,0,1,0,0|2,0,0]=4 12098 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 34a_100000754041_200011218536 [0,1,0,1,0,0|2,0,0]=4 12099 B17R2.143 CC(Cc1ccccc1)OC2CCCOC2 7a_100000748627_100000693364 [0,1,0,1,0,0|2,0,0]=4 12100 B17R2.143 CC(Cc1ccccc1)OC2CCCSC2 7a_100015962668_200011218536 [0,1,0,1,0,0|2,0,0]=4 12101 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 34a_100000744328_200011218536 [0,1,0,1,0,0|2,0,0]=4 12102 B17R2.143 CC(Cc1ccccc1)OC2CCOCC2 7a_100000748627_100000686592 [0,1,0,1,0,0|2,0,0]=4 12103 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000731022_200011218536 [0,1,0,1,0,0|2,0,0]=4 12104 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 34a_100000748627_100000069128 [0,1,0,1,0,0|2,0,0]=4 12105 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000731022_200011218536 [0,1,0,1,0,0|2,0,0]=4 12106 B17R2.143 CC(Cc1ccccc1)OC2CCSCC2 7a_100000748627_100011500858 [0,1,0,1,0,0|2,0,0]=4 12107 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_100000210327_200011218536 [0,1,0,1,0,0|1,1,0]=4 12108 B17R2.143 CC(Cc1ccccc1)SC2CCCCC2 62a_200011218536_100000210327 [0,1,0,1,0,0|1,1,0]=4 12109 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 2230a_100000186898_100000211543 [0,1,0,1,0,0|2,0,0]=4 12110 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 2230a_100000225654_100015291786 [0,1,0,1,0,0|2,0,0]=4 12111 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 269982a_100000186898_100000211543 [0,1,0,1,0,0|2,0,0]=4 12112 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 269982a_100000225654_100000211182 [0,1,0,1,0,0|2,0,0]=4 12113 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 270004a_100000225654_100015611070 [0,1,0,1,0,0|2,0,0]=4 12114 B17R2.143 CN(Cc1ccccc1)CC2CCCCO2 34a_100000225654_100015291786 [0,1,0,1,0,0|2,0,0]=4 12115 B17R2.143 O=C(Cc1ccccc1)CC2CCCCO2 1458a_100000238585_100015291786 [0,1,0,1,0,0|1,0,1]=4 12116 B17R2.2069 CC(CCCCl)OC1Cc2ccccc2C1 34a_200000718107_100000753484 [0,1,0,1,0,0|2,0,0]=4 12117 B17R2.2069 CC(CCCCl)OC1Cc2ccccc2C1 7a_200000718107_100000753484 [0,1,0,1,0,0|2,0,0]=4 12118 B17R2.2069 CCC#CC(C)OC1Cc2ccccc2C1 34a_100000033903_100000753484 [0,1,0,1,0,0|1,0,1]=4 12119 B17R2.2069 CCC#CC(C)OC1Cc2ccccc2C1 7a_100000033903_100000753484 [0,1,0,1,0,0|1,0,1]=4 12120 B17R2.2069 CCCCC(C)NC1Cc2ccccc2C1 2230a_100000753258_200011215066 [0,1,0,1,0,0|2,0,0]=4 12121 B17R2.2069 CCCCC(C)NC1Cc2ccccc2C1 270004a_100000753258_100000210087 [0,1,0,1,0,0|2,0,0]=4 12122 B17R2.2069 CCCCC(C)NC1Cc2ccccc2C1 34a_100000753258_200011215066 [0,1,0,1,0,0|2,0,0]=4 12123 B17R2.2069 CCCCC(C)OC1Cc2ccccc2C1 34a_100000687866_100000753484 [0,1,0,1,0,0|1,0,0]=3 12124 B17R2.2069 CCCCC(C)OC1Cc2ccccc2C1 34a_100011215286_200011215066 [0,1,0,1,0,0|1,0,0]=3 12125 B17R2.2069 CCCCC(C)OC1Cc2ccccc2C1 7a_100000687866_100000753484 [0,1,0,1,0,0|1,0,0]=3 12126 B17R2.2069 CCCCC(C)SC1Cc2ccccc2C1 62a_200011215066_100000753484 [0,1,0,1,0,0|1,1,0]=4 12127 B17R2.2069 CCOCC(C)OC1Cc2ccccc2C1 34a_100000718985_100000753484 [0,1,0,1,0,0|2,0,0]=4 12128 B17R2.2069 CCOCC(C)OC1Cc2ccccc2C1 7a_100000718985_100000753484 [0,1,0,1,0,0|2,0,0]=4 12129 B17R2.3229 CC(Cc1ccccc1)OC2CCN(C2)C 7a_100000748627_200012183744 [0,1,0,1,0,0|2,0,0]=4 12130 B17R2.3229 CC1CCC(C1)OC(C)Cc2ccccc2 34a_100000698185_200011218536 [0,1,0,1,0,0|1,0,0]=3 12131 B17R2.3417 CC1CCCCN1C(C)Cc2ccccc2 269982a_100000211376_200011218536 [0,1,0,1,0,0|2,0,0]=4 12132 B17R2.3417 CC1CCCCN1C(C)Cc2ccccc2 34a_100000211376_200011218536 [0,1,0,1,0,0|2,0,0]=4 12133 B17R2.8669 CC1CCC(N1C(C)Cc2ccccc2)C 269982a_100000687148_200011218536 [0,1,0,1,0,0|2,0,0]=4 12134 B17R2.8669 CC1CCC(N1C(C)Cc2ccccc2)C 34a_100000687148_200011218536 [0,1,0,1,0,0|2,0,0]=4 12135 B17R2.45579 CC(Cc1ccccc1)OC2(CCCC2)C 34a_100000751722_200011218536 [0,1,0,1,0,0|1,0,0]=3 12136 B17R2.45579 CC(Cc1ccccc1)OC2(CCCC2)C 7a_100000751722_200011218536 [0,1,0,1,0,0|1,0,0]=3 12137 B17R2.295447 CC(Cc1ccccc1)NC(C)C2CCC2 34a_100016994624_200011218536 [0,1,0,1,0,0|2,0,0]=4 12138 B17R2.295447 CC(Cc1ccccc1)OC(C)C2CCC2 34a_100000766398_200011218536 [0,1,0,1,0,0|1,0,0]=3 12139 B17R2.295447 CC(Cc1ccccc1)OC(C)C2CCC2 7a_100000766398_200011218536 [0,1,0,1,0,0|1,0,0]=3 12140 B17R2.2104 CCCCC(C)N1CCc2ccccc2C1 2230a_100000188457_200011215066 [0,1,0,1,0,0|2,0,0]=4 12141 B17R2.2104 CCCCC(C)N1CCc2ccccc2C1 269982a_100000188457_200011215066 [0,1,0,1,0,0|2,0,0]=4 12142 B17R2.2104 CCCCC(C)N1CCc2ccccc2C1 270004a_100000188457_100000210087 [0,1,0,1,0,0|2,0,0]=4 12143 B17R2.2104 CCCCC(C)N1CCc2ccccc2C1 34a_100000188457_200011215066 [0,1,0,1,0,0|2,0,0]=4 12144 B17R2.3231 CC1CCC(C1)N(C)CCc2ccccc2 270004a_100000207497_100011215218 [0,1,0,1,0,0|2,0,0]=4 12145 B17R2.76750 CC1(CCCC1)C(=O)CCc2ccccc2 1458a_100000239728_100000765856 [0,1,0,1,0,0|2,0,0]=4 12146 B17R2.76750 CC1(CCCO1)C(=O)CCc2ccccc2 1458a_100000684770_100000765856 [0,1,0,1,0,0|1,0,0]=3 12147 B17R2.76750 CC1(CCCO1)C(=O)CCc2ccccn2 1458a_100000684770_100015183660 [0,1,0,1,0,0|2,0,0]=4 12148 B17R2.76750 CC1(CCCO1)C(=O)CCc2cccnc2 1458a_100000684770_200011713674 [0,1,0,1,0,0|2,0,0]=4 12149 B17R2.76750 CC1(CCCO1)C(=O)CCc2ccncc2 1458a_100000684770_100000723409 [0,1,0,1,0,0|2,0,0]=4 12150 B17R2.76750 CC1(CCCO1)C(=O)NCc2ccccc2 11a_100015324214_100000684770 [0,1,0,1,0,0|2,0,0]=4 12151 B17R2.76750 CC1(CCCO1)C(=O)NCc2ccccc2 1626a_100015324214_100000684770 [0,1,0,1,0,0|2,0,0]=4 12152 B17R2.76750 CC1(CCCO1)C(=O)NCc2ccccc2 240690a_100015324214_100000684770 [0,1,0,1,0,0|2,0,0]=4 12153 B17R2.76750 CC1(CCCO1)C(=O)NCc2ccccc2 527a_100015324214_100000684770 [0,1,0,1,0,0|2,0,0]=4 12154 B17R2.76767 CC(CC1CC1)N(C)CCc2ccccc2 270004a_100000207497_200000686933 [0,1,0,1,0,0|2,0,0]=4 12155 B17R2.737505 CCCCC(C)C(=O)C1Cc2c1cccc2 1458a_200000238571_200011215066 [0,1,0,1,0,0|2,0,0]=4 12156 B17R2.268 CCCCNC1CCC(C1)c2ccccc2 270004a_100000102301_100000750937 [0,1,0,1,0,0|2,0,0]=4 12157 B17R2.268 CCCOCC1CC(=NO1)c2ccccc2 34a_100000210258_100009817038 [0,1,0,1,0,0|1,0,1]=4 12158 B17R2.268 CCCOCC1CCN(C1)c2ccccc2 34a_100000758375_100000210303 [0,1,0,1,0,0|2,0,0]=4 12159 B17R2.268 CCCOCC1CCN(C1)c2ccccc2 7a_100000758375_100000210303 [0,1,0,1,0,0|2,0,0]=4 12160 B17R2.268 COCCNC1CCC(C1)c2ccccc2 270004a_100000209980_100000750937 [0,1,0,1,0,0|2,0,0]=4 12161 B17R2.268 CSCCNC1CCC(C1)c2ccccc2 270004a_100020590264_100000750937 [0,1,0,1,0,0|2,0,0]=4 12162 B17R2.268 FCCCNC1CCC(C1)c2ccccc2 270004a_100015189416_100000750937 [0,1,0,1,0,0|2,0,0]=4 12163 B17R2.268 OCCCNC1CCC(C1)c2ccccc2 270004a_100000182051_100000750937 [0,1,0,1,0,0|2,0,0]=4 12164 B17R2.3539 C[C@]1(CCC[C@H]1N)OCCc2ccccc2 34a_100015977457_100000765856 [0,1,0,1,0,0|1,0,0]=3 12165 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 2230a_100000210447_100000765856 [0,1,0,1,0,0|2,0,0]=4 12166 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 269982a_100000210447_100000765856 [0,1,0,1,0,0|2,0,0]=4 12167 B17R2.3933 CC1CCCC(N1CCc2ccccc2)C 34a_100000210447_100000765856 [0,1,0,1,0,0|2,0,0]=4 12168 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 2230a_100103153222_100000765856 [0,1,0,1,0,0|1,0,0]=3 12169 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 269982a_100103153222_100000765856 [0,1,0,1,0,0|1,0,0]=3 12170 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccc2)C 34a_100103153222_100000765856 [0,1,0,1,0,0|1,0,0]=3 12171 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccn2)C 2230a_100103153222_100015183660 [0,1,0,1,0,0|2,0,0]=4 12172 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccccn2)C 269982a_100103153222_100015183660 [0,1,0,1,0,0|2,0,0]=4 12173 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2cccnc2)C 2230a_100103153222_200011713674 [0,1,0,1,0,0|2,0,0]=4 12174 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2cccnc2)C 269982a_100103153222_200011713674 [0,1,0,1,0,0|2,0,0]=4 12175 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccncc2)C 2230a_100103153222_100000723409 [0,1,0,1,0,0|2,0,0]=4 12176 B17R2.3933 C[C@@H]1COC[C@@H](N1CCc2ccncc2)C 269982a_100103153222_100000723409 [0,1,0,1,0,0|2,0,0]=4 12177 B17R2.3933 C[C@@H]1COC[C@@H](N1CSc2ccccc2)C 2230a_100103153222_100011218342 [0,1,0,1,0,0|2,0,0]=4 12178 B17R2.3933 C[C@@H]1COC[C@@H](N1CSc2ccccc2)C 269982a_100103153222_100011218342 [0,1,0,1,0,0|2,0,0]=4 12179 B17R2.4462 COCC1CC(C1)NCCc2ccccc2 2230a_100012180050_100000765856 [0,1,0,1,0,0|2,0,0]=4 12180 B17R2.4462 COCC1CC(C1)NCCc2ccccc2 270004a_100000106460_100010371266 [0,1,0,1,0,0|2,0,0]=4 12181 B17R2.5714 CC(CCCc1ccccc1)N2CCCC2 2230a_100000188435_200010759516 [0,1,0,1,0,0|2,0,0]=4 12182 B17R2.5714 CC(CCCc1ccccc1)N2CCCC2 269982a_100000188435_200010759516 [0,1,0,1,0,0|2,0,0]=4 12183 B17R2.5714 CC(CCCc1ccccc1)N2CCSC2 2230a_100011215254_200010759516 [0,1,0,1,0,0|2,0,0]=4 12184 B17R2.5714 CC(CCCc1ccccc1)N2CCSC2 269982a_100011215254_200010759516 [0,1,0,1,0,0|2,0,0]=4 12185 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 2230a_100015185923_100000765856 [0,1,0,1,0,0|2,0,0]=4 12186 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 269862a_100000106460_100000749594 [0,1,0,1,0,0|2,0,0]=4 12187 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 270004a_100000106460_100000749594 [0,1,0,1,0,0|2,0,0]=4 12188 B17R2.5714 CC(NCCc1ccccc1)C2CCCC2 34a_100015185923_100000765856 [0,1,0,1,0,0|2,0,0]=4 12189 B17R2.5714 CC(NCCc1ccccc1)C2CCCO2 2230a_100025754208_100000765856 [0,1,0,1,0,0|1,0,0]=3 12190 B17R2.5714 CC(NCCc1ccccc1)C2CCCO2 34a_100025754208_100000765856 [0,1,0,1,0,0|1,0,0]=3 12191 B17R2.5714 CC(NCCc1ccccn1)C2CCCO2 2230a_100025754208_100015183660 [0,1,0,1,0,0|2,0,0]=4 12192 B17R2.5714 CC(NCCc1cccnc1)C2CCCO2 2230a_100025754208_200011713674 [0,1,0,1,0,0|2,0,0]=4 12193 B17R2.5714 CC(NCCc1ccncc1)C2CCCO2 2230a_100025754208_100000723409 [0,1,0,1,0,0|2,0,0]=4 12194 B17R2.5714 CC(NCSc1ccccc1)C2CCCO2 2230a_100025754208_100011218342 [0,1,0,1,0,0|2,0,0]=4 12195 B17R2.5714 CC(OCCc1ccccc1)C2CCCC2 34a_100011216366_100000765856 [0,1,0,1,0,0|1,0,0]=3 12196 B17R2.5714 CC(OCCc1ccccc1)C2CCCC2 7a_100011216366_100000765856 [0,1,0,1,0,0|1,0,0]=3 12197 B17R2.5714 CC(OCCc1ccccn1)C2CCCC2 7a_100011216366_100015183660 [0,1,0,1,0,0|2,0,0]=4 12198 B17R2.5714 CC(OCCc1cccnc1)C2CCCC2 7a_100011216366_200011713674 [0,1,0,1,0,0|2,0,0]=4 12199 B17R2.5714 CC(OCCc1ccncc1)C2CCCC2 7a_100011216366_100000723409 [0,1,0,1,0,0|2,0,0]=4 12200 B17R2.24812 CC1(CCCCC1)NCCc2ccccc2 2230a_100000741114_100000765856 [0,1,0,1,0,0|2,0,0]=4 12201 B17R2.24812 CC1(CCCCC1)NCCc2ccccc2 34a_100000741114_100000765856 [0,1,0,1,0,0|2,0,0]=4 12202 B17R2.24812 CC1(CCCCC1)OCCc2ccccc2 34a_100011215885_100000765856 [0,1,0,1,0,0|1,0,0]=3 12203 B17R2.24812 CC1(CCCCC1)OCCc2ccccc2 7a_100011215885_100000765856 [0,1,0,1,0,0|1,0,0]=3 12204 B17R2.24812 CC1(CCCCC1)OCCc2ccccn2 7a_100011215885_100015183660 [0,1,0,1,0,0|2,0,0]=4 12205 B17R2.24812 CC1(CCCCC1)OCCc2cccnc2 7a_100011215885_200011713674 [0,1,0,1,0,0|2,0,0]=4 12206 B17R2.24812 CC1(CCCCC1)OCCc2ccncc2 7a_100011215885_100000723409 [0,1,0,1,0,0|2,0,0]=4 12207 B17R2.24812 CC1(CCOCC1)NCCc2ccccc2 2230a_100000692449_100000765856 [0,1,0,1,0,0|2,0,0]=4 12208 B17R2.24812 CC1(CCOCC1)NCCc2ccccc2 34a_100000692449_100000765856 [0,1,0,1,0,0|2,0,0]=4 12209 B17R2.24812 CC1(CCOCC1)OCCc2ccccc2 34a_100011827762_100000765856 [0,1,0,1,0,0|1,0,0]=3 12210 B17R2.24812 CC1(CCOCC1)OCCc2ccccc2 7a_100011827762_100000765856 [0,1,0,1,0,0|1,0,0]=3 12211 B17R2.24812 CC1(CCOCC1)OCCc2ccccn2 7a_100011827762_100015183660 [0,1,0,1,0,0|2,0,0]=4 12212 B17R2.24812 CC1(CCOCC1)OCCc2cccnc2 7a_100011827762_200011713674 [0,1,0,1,0,0|2,0,0]=4 12213 B17R2.24812 CC1(CCOCC1)OCCc2ccncc2 7a_100011827762_100000723409 [0,1,0,1,0,0|2,0,0]=4 12214 B17R2.24812 CC1(CCSCC1)OCCc2ccccc2 34a_200011004327_100000765856 [0,1,0,1,0,0|1,0,0]=3 12215 B17R2.24812 CC1(CCSCC1)OCCc2ccccc2 7a_200011004327_100000765856 [0,1,0,1,0,0|1,0,0]=3 12216 B17R2.24812 CC1(CCSCC1)OCCc2ccccn2 7a_200011004327_100015183660 [0,1,0,1,0,0|2,0,0]=4 12217 B17R2.24812 CC1(CCSCC1)OCCc2cccnc2 7a_200011004327_200011713674 [0,1,0,1,0,0|2,0,0]=4 12218 B17R2.24812 CC1(CCSCC1)OCCc2ccncc2 7a_200011004327_100000723409 [0,1,0,1,0,0|2,0,0]=4 12219 B17R2.74164 C#CCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000688953 [0,1,0,1,0,0|1,0,1]=4 12220 B17R2.74164 C#CCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000688953 [0,1,0,1,0,0|1,0,1]=4 12221 B17R2.74164 C/C=C/COC1(CCCc2c1cccc2)C 34a_200011345745_100102629194 [0,1,0,1,0,0|1,0,1]=4 12222 B17R2.74164 C/C=C/COC1(CCCc2c1cccc2)C 7a_200011345745_100102629194 [0,1,0,1,0,0|1,0,1]=4 12223 B17R2.74164 C=CCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000754431 [0,1,0,1,0,0|1,0,1]=4 12224 B17R2.74164 C=CCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000754431 [0,1,0,1,0,0|1,0,1]=4 12225 B17R2.74164 CC#CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000748600 [0,1,0,1,0,0|1,0,1]=4 12226 B17R2.74164 CC#CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000748600 [0,1,0,1,0,0|1,0,1]=4 12227 B17R2.74164 CC1(CCCc2c1cccc2)OCCC#N 7a_200011345745_100000184422 [0,1,0,1,0,0|1,0,1]=4 12228 B17R2.74164 CC1(CCCc2c1cccc2)OCCCF 34a_200011345745_100011934791 [0,1,0,1,0,0|1,0,0]=3 12229 B17R2.74164 CC1(CCCc2c1cccc2)OCCCF 7a_200011345745_100011934791 [0,1,0,1,0,0|1,0,0]=3 12230 B17R2.74164 CC1(CCCc2c1cccc2)OCCCO 34a_200011345745_100000230001 [0,1,0,1,0,0|1,0,0]=3 12231 B17R2.74164 CC1(CCCc2c1cccc2)OCCCO 7a_200011345745_100011215043 [0,1,0,1,0,0|1,0,0]=3 12232 B17R2.74164 CC=CCOC1(CCCc2c1cccc2)C 34a_200011345745_100000070051 [0,1,0,1,0,0|1,0,1]=4 12233 B17R2.74164 CC=CCOC1(CCCc2c1cccc2)C 7a_200011345745_100000070051 [0,1,0,1,0,0|1,0,1]=4 12234 B17R2.74164 CCCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000210210 [0,1,0,1,0,0|1,0,0]=3 12235 B17R2.74164 CCCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000210211 [0,1,0,1,0,0|1,0,0]=3 12236 B17R2.74164 COCCOC1(CCCc2c1cccc2)C 34a_200011345745_100011201679 [0,1,0,1,0,0|1,0,0]=3 12237 B17R2.74164 COCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000233755 [0,1,0,1,0,0|1,0,0]=3 12238 B17R2.74164 CSCCOC1(CCCc2c1cccc2)C 34a_200011345745_100000212216 [0,1,0,1,0,0|1,0,0]=3 12239 B17R2.74164 CSCCOC1(CCCc2c1cccc2)C 7a_200011345745_100000212216 [0,1,0,1,0,0|1,0,0]=3 12240 B17R2.75994 C#CCOCC(C)OC1Cc2c1cccc2 7a_100011025554_100009813401 [0,1,0,1,0,0|0,0,2]=4 12241 B17R2.75994 CCC#CCC(C)OC1Cc2c1cccc2 7a_200000035118_100009813401 [0,1,0,1,0,0|1,0,1]=4 12242 B17R2.75994 CCCCCC(C)OC1Cc2c1cccc2 7a_100011215632_100009813401 [0,1,0,1,0,0|1,0,0]=3 12243 B17R2.75994 CCCCCC(C)SC1Cc2c1cccc2 62a_100009813401_200011218191 [0,1,0,1,0,0|1,1,0]=4 12244 B17R2.75994 CCCCCC(C)SC1Cc2c1cccc2 62a_200011218191_100009813401 [0,1,0,1,0,0|1,1,0]=4 12245 B17R2.75994 COCCCC(C)OC1Cc2c1cccc2 7a_200011539412_100009813401 [0,1,0,1,0,0|1,0,0]=3 12246 B17R2.294966 CC(CCCc1ccccc1)NCC2CC2 2230a_100000735609_200010759516 [0,1,0,1,0,0|2,0,0]=4 12247 B17R2.294966 CC(CCCc1ccccc1)NCC2CC2 34a_100000735609_200010759516 [0,1,0,1,0,0|2,0,0]=4 12248 B17R2.294966 CC(CCCc1ccccc1)OCC2CC2 34a_100000211283_200010759516 [0,1,0,1,0,0|1,0,0]=3 12249 B17R2.294966 CC(CCCc1ccccc1)OC[C@@H]2CO2 34a_100000757423_200010759516 [0,1,0,1,0,0|1,0,0]=3 12250 B17R2.294966 CC(CCCc1ccccc1)SCC2CC2 62a_100000756562_200010759516 [0,1,0,1,0,0|1,1,0]=4 12251 B17R2.294966 CC(CCCc1ccccc1)SCC2CC2 62a_200010759516_100000742324 [0,1,0,1,0,0|1,1,0]=4 12252 B17R2.294966 CC(CCCc1ccccc1)SCC2CO2 62a_102125554688_200010759516 [0,1,0,1,0,0|1,1,0]=4 12253 B17R2.294966 CC(CCCc1ccccc1)SCC2CO2 62a_200010759516_102125554688 [0,1,0,1,0,0|1,1,0]=4 12254 B17R2.294966 CC(CCCc1ccccc1)SCC2CS2 62a_100000031435_200010759516 [0,1,0,1,0,0|1,1,0]=4 12255 B17R2.294966 CC(CCCc1ccccc1)SCC2CS2 62a_200010759516_100000031435 [0,1,0,1,0,0|1,1,0]=4 12256 B17R2.294966 CC(CCCc1ccccc1)SC[C@@H]2CO2 62a_100000745022_200010759516 [0,1,0,1,0,0|1,1,0]=4 12257 B17R2.294966 CC(CCCc1ccccc1)SC[C@@H]2CO2 62a_200010759516_100000745022 [0,1,0,1,0,0|1,1,0]=4 12258 B17R2.294966 CC(CNCc1ccccc1)COC2CC2 34a_100015184949_100000211595 [0,1,0,1,0,0|2,0,0]=4 12259 B17R2.294966 CC(COCc1ccccc1)COC2CC2 34a_200011216033_100000211595 [0,1,0,1,0,0|2,0,0]=4 12260 B17R2.294966 CC(COCc1ccccc1)OCC2CC2 34a_100000764311_100000742324 [0,1,0,1,0,0|2,0,0]=4 12261 B17R2.294966 CC(COCc1ccccc1)OCC2CC2 7a_100000764311_100000742324 [0,1,0,1,0,0|2,0,0]=4 12262 B17R2.294966 CC(COCc1ccccc1)OCC2CO2 34a_100000764311_102125554688 [0,1,0,1,0,0|2,0,0]=4 12263 B17R2.294966 CC(COCc1ccccc1)OCC2CO2 7a_100000764311_102125554688 [0,1,0,1,0,0|2,0,0]=4 12264 B17R2.294966 CC(COCc1ccccc1)OCC2CS2 7a_100000764311_100000031435 [0,1,0,1,0,0|2,0,0]=4 12265 B17R2.294966 CC(COCc1ccccc1)OC[C@@H]2CO2 7a_100000764311_100000745022 [0,1,0,1,0,0|2,0,0]=4 12266 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Br 2230a_100016991869_100000184730 [0,1,0,1,0,0|2,0,0]=4 12267 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Br 269982a_100016991869_100000184730 [0,1,0,1,0,0|2,0,0]=4 12268 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Br 26a_100016991869_100000181306 [0,1,0,1,0,0|2,0,0]=4 12269 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Br 270004a_100016991869_100000211189 [0,1,0,1,0,0|2,0,0]=4 12270 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Br 34a_100016991869_100000184730 [0,1,0,1,0,0|2,0,0]=4 12271 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Cl 2230a_100016991869_100000187162 [0,1,0,1,0,0|2,0,0]=4 12272 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Cl 269982a_100016991869_100000187162 [0,1,0,1,0,0|2,0,0]=4 12273 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Cl 26a_100016991869_100000210172 [0,1,0,1,0,0|2,0,0]=4 12274 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Cl 270004a_100016991869_100000210073 [0,1,0,1,0,0|2,0,0]=4 12275 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2Cl 34a_100016991869_100000187162 [0,1,0,1,0,0|2,0,0]=4 12276 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2F 2230a_100016991869_100000211605 [0,1,0,1,0,0|2,0,0]=4 12277 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2F 269982a_100016991869_100000211605 [0,1,0,1,0,0|2,0,0]=4 12278 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2F 270004a_100016991869_100000210811 [0,1,0,1,0,0|2,0,0]=4 12279 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2F 34a_100016991869_100000211605 [0,1,0,1,0,0|2,0,0]=4 12280 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2I 2230a_100016991869_100011215278 [0,1,0,1,0,0|2,0,0]=4 12281 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2I 269982a_100016991869_100011215278 [0,1,0,1,0,0|2,0,0]=4 12282 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2I 270004a_100016991869_100000010305 [0,1,0,1,0,0|2,0,0]=4 12283 B17R2.3493 C[C@@H]1CN([C@@H](CO1)C)Cc2ccccc2I 34a_100016991869_100011215278 [0,1,0,1,0,0|2,0,0]=4 12284 B17R2.3493 Cc1ccccc1CN2C[C@H](OC[C@H]2C)C 2230a_100016991869_100000211839 [0,1,0,1,0,0|2,0,0]=4 12285 B17R2.3493 Cc1ccccc1CN2C[C@H](OC[C@H]2C)C 269982a_100016991869_100000211839 [0,1,0,1,0,0|2,0,0]=4 12286 B17R2.3493 Cc1ccccc1CN2C[C@H](OC[C@H]2C)C 270004a_100016991869_100000211143 [0,1,0,1,0,0|2,0,0]=4 12287 B17R2.3493 Cc1ccccc1CN2C[C@H](OC[C@H]2C)C 34a_100016991869_100000211839 [0,1,0,1,0,0|2,0,0]=4 12288 B17R2.5121 CC1CCCCN1CCc2ccccc2Br 2230a_100000211376_100012161201 [0,1,0,1,0,0|2,0,0]=4 12289 B17R2.5121 CC1CCCCN1CCc2ccccc2Br 269982a_100000211376_100012161201 [0,1,0,1,0,0|2,0,0]=4 12290 B17R2.5121 CC1CCCCN1CCc2ccccc2Br 34a_100000211376_100012161201 [0,1,0,1,0,0|2,0,0]=4 12291 B17R2.5121 CC1CCCCN1CCc2ccccc2Cl 2230a_100000211376_100011713703 [0,1,0,1,0,0|2,0,0]=4 12292 B17R2.5121 CC1CCCCN1CCc2ccccc2Cl 269982a_100000211376_100011713703 [0,1,0,1,0,0|2,0,0]=4 12293 B17R2.5121 CC1CCCCN1CCc2ccccc2Cl 270004a_100000211376_200011713468 [0,1,0,1,0,0|2,0,0]=4 12294 B17R2.5121 CC1CCCCN1CCc2ccccc2Cl 34a_100000211376_100011713703 [0,1,0,1,0,0|2,0,0]=4 12295 B17R2.5121 CC1CCCCN1CCc2ccccc2F 2230a_100000211376_100011713696 [0,1,0,1,0,0|2,0,0]=4 12296 B17R2.5121 CC1CCCCN1CCc2ccccc2F 269982a_100000211376_100011713696 [0,1,0,1,0,0|2,0,0]=4 12297 B17R2.5121 CC1CCCCN1CCc2ccccc2F 34a_100000211376_100000720011 [0,1,0,1,0,0|2,0,0]=4 12298 B17R2.5121 CC1CCCCN1CCc2ccccc2O 269982a_100000211376_100000722297 [0,1,0,1,0,0|2,0,0]=4 12299 B17R2.5121 CC1CCCCN1CCc2ccccc2O 34a_100000211376_100000722297 [0,1,0,1,0,0|2,0,0]=4 12300 B17R2.5121 Cc1ccccc1CCN2CCCCC2C 2230a_100000211376_100011713688 [0,1,0,1,0,0|2,0,0]=4 12301 B17R2.5121 Cc1ccccc1CCN2CCCCC2C 269982a_100000211376_100011713688 [0,1,0,1,0,0|2,0,0]=4 12302 B17R2.5121 Cc1ccccc1CCN2CCCCC2C 34a_100000211376_100011713688 [0,1,0,1,0,0|2,0,0]=4 12303 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Br 269982a_200020626125_100000184730 [0,1,0,1,0,0|2,0,0]=4 12304 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Br 26a_200020626125_100000181306 [0,1,0,1,0,0|2,0,0]=4 12305 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Br 270004a_200020626125_100000211189 [0,1,0,1,0,0|2,0,0]=4 12306 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Br 34a_200020626125_100000184730 [0,1,0,1,0,0|2,0,0]=4 12307 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2C 269982a_200020626125_100000211839 [0,1,0,1,0,0|2,0,0]=4 12308 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2C 270004a_200020626125_100000211143 [0,1,0,1,0,0|2,0,0]=4 12309 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2C 34a_200020626125_100000211839 [0,1,0,1,0,0|2,0,0]=4 12310 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Cl 269982a_200020626125_100000187162 [0,1,0,1,0,0|2,0,0]=4 12311 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Cl 26a_200020626125_100000210172 [0,1,0,1,0,0|2,0,0]=4 12312 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Cl 270004a_200020626125_100000210073 [0,1,0,1,0,0|2,0,0]=4 12313 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2Cl 34a_200020626125_100000187162 [0,1,0,1,0,0|2,0,0]=4 12314 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2F 269982a_200020626125_100000211605 [0,1,0,1,0,0|2,0,0]=4 12315 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2F 270004a_200020626125_100000210811 [0,1,0,1,0,0|2,0,0]=4 12316 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2F 34a_200020626125_100000211605 [0,1,0,1,0,0|2,0,0]=4 12317 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2I 269982a_200020626125_100011215278 [0,1,0,1,0,0|2,0,0]=4 12318 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2I 270004a_200020626125_100000010305 [0,1,0,1,0,0|2,0,0]=4 12319 B17R2.6572 CCCOC1CN(C1)Cc2ccccc2I 34a_200020626125_100011215278 [0,1,0,1,0,0|2,0,0]=4 12320 B17R2.18638 CC1CCC(C1)NCCc2ccccc2Br 270004a_100000747383_100011215218 [0,1,0,1,0,0|2,0,0]=4 12321 B17R2.18638 CC1CCC(C1)NCCc2ccccc2Cl 270004a_100011207228_100011215218 [0,1,0,1,0,0|2,0,0]=4 12322 B17R2.18638 CC1CCC(C1)NCCc2ccccc2F 270004a_100000185272_100011215218 [0,1,0,1,0,0|2,0,0]=4 12323 B17R2.18638 CC1CCC(C1)NCCc2ccccc2O 270004a_100011207237_100011215218 [0,1,0,1,0,0|2,0,0]=4 12324 B17R2.18638 CC1CCC(C1)OCCc2ccccc2Br 34a_100000698185_100012161201 [0,1,0,1,0,0|1,0,0]=3 12325 B17R2.18638 CC1CCC(C1)OCCc2ccccc2Cl 34a_100000698185_100011713703 [0,1,0,1,0,0|1,0,0]=3 12326 B17R2.18638 CC1CCC(C1)OCCc2ccccc2F 34a_100000698185_100000720011 [0,1,0,1,0,0|1,0,0]=3 12327 B17R2.18638 CC1CCC(C1)OCCc2ccccc2O 34a_100000698185_100000722297 [0,1,0,1,0,0|1,0,0]=3 12328 B17R2.18638 CN1CCC(C1)OCCc2ccccc2Br 7a_100000731337_200012183744 [0,1,0,1,0,0|2,0,0]=4 12329 B17R2.18638 CN1CCC(C1)OCCc2ccccc2Cl 7a_100011215284_200012183744 [0,1,0,1,0,0|2,0,0]=4 12330 B17R2.18638 CN1CCC(C1)OCCc2ccccc2F 7a_100000753711_200012183744 [0,1,0,1,0,0|2,0,0]=4 12331 B17R2.18638 CN1CCC(C1)OCCc2ccccc2I 7a_100010255290_200012183744 [0,1,0,1,0,0|2,0,0]=4 12332 B17R2.18638 Cc1ccccc1CCNC2CCC(C2)C 270004a_100000685071_100011215218 [0,1,0,1,0,0|2,0,0]=4 12333 B17R2.18638 Cc1ccccc1CCOC2CCC(C2)C 34a_100000698185_100011713688 [0,1,0,1,0,0|1,0,0]=3 12334 B17R2.18638 Cc1ccccc1CCOC2CCN(C2)C 7a_100011220023_200012183744 [0,1,0,1,0,0|2,0,0]=4 12335 B17R2.20637 CC(CC1CC1)NCCc2ccccc2Br 270004a_100000747383_200000686933 [0,1,0,1,0,0|2,0,0]=4 12336 B17R2.20637 CC(CC1CC1)NCCc2ccccc2Cl 270004a_100011207228_200000686933 [0,1,0,1,0,0|2,0,0]=4 12337 B17R2.20637 CC(CC1CC1)NCCc2ccccc2F 270004a_100000185272_200000686933 [0,1,0,1,0,0|2,0,0]=4 12338 B17R2.20637 CC(CC1CC1)NCCc2ccccc2O 270004a_100011207237_200000686933 [0,1,0,1,0,0|2,0,0]=4 12339 B17R2.20637 Cc1ccccc1CCNC(C)CC2CC2 270004a_100000685071_200000686933 [0,1,0,1,0,0|2,0,0]=4 12340 B17R2.40301 CC1CCC(N1CCc2ccccc2Br)C 2230a_100000687148_100012161201 [0,1,0,1,0,0|2,0,0]=4 12341 B17R2.40301 CC1CCC(N1CCc2ccccc2Br)C 269982a_100000687148_100012161201 [0,1,0,1,0,0|2,0,0]=4 12342 B17R2.40301 CC1CCC(N1CCc2ccccc2Br)C 34a_100000687148_100012161201 [0,1,0,1,0,0|2,0,0]=4 12343 B17R2.40301 CC1CCC(N1CCc2ccccc2Cl)C 2230a_100000687148_100011713703 [0,1,0,1,0,0|2,0,0]=4 12344 B17R2.40301 CC1CCC(N1CCc2ccccc2Cl)C 269982a_100000687148_100011713703 [0,1,0,1,0,0|2,0,0]=4 12345 B17R2.40301 CC1CCC(N1CCc2ccccc2Cl)C 34a_100000687148_100011713703 [0,1,0,1,0,0|2,0,0]=4 12346 B17R2.40301 CC1CCC(N1CCc2ccccc2F)C 2230a_100000687148_100011713696 [0,1,0,1,0,0|2,0,0]=4 12347 B17R2.40301 CC1CCC(N1CCc2ccccc2F)C 269982a_100000687148_100011713696 [0,1,0,1,0,0|2,0,0]=4 12348 B17R2.40301 CC1CCC(N1CCc2ccccc2F)C 34a_100000687148_100000720011 [0,1,0,1,0,0|2,0,0]=4 12349 B17R2.40301 CC1CCC(N1CCc2ccccc2O)C 269982a_100000687148_100000722297 [0,1,0,1,0,0|2,0,0]=4 12350 B17R2.40301 CC1CCC(N1CCc2ccccc2O)C 34a_100000687148_100000722297 [0,1,0,1,0,0|2,0,0]=4 12351 B17R2.40301 Cc1ccccc1CCN2C(CCC2C)C 2230a_100000687148_100011713688 [0,1,0,1,0,0|2,0,0]=4 12352 B17R2.40301 Cc1ccccc1CCN2C(CCC2C)C 269982a_100000687148_100011713688 [0,1,0,1,0,0|2,0,0]=4 12353 B17R2.40301 Cc1ccccc1CCN2C(CCC2C)C 34a_100000687148_100011713688 [0,1,0,1,0,0|2,0,0]=4 12354 B17R2.156395 CC1(CCCC1)OCCc2ccccc2Br 34a_100000751722_100012161201 [0,1,0,1,0,0|1,0,0]=3 12355 B17R2.156395 CC1(CCCC1)OCCc2ccccc2Br 7a_100000751722_100012161201 [0,1,0,1,0,0|1,0,0]=3 12356 B17R2.156395 CC1(CCCC1)OCCc2ccccc2Cl 34a_100000751722_100011713703 [0,1,0,1,0,0|1,0,0]=3 12357 B17R2.156395 CC1(CCCC1)OCCc2ccccc2Cl 7a_100000751722_100011713703 [0,1,0,1,0,0|1,0,0]=3 12358 B17R2.156395 CC1(CCCC1)OCCc2ccccc2F 34a_100000751722_100000720011 [0,1,0,1,0,0|1,0,0]=3 12359 B17R2.156395 CC1(CCCC1)OCCc2ccccc2F 7a_100000751722_100000720011 [0,1,0,1,0,0|1,0,0]=3 12360 B17R2.156395 CC1(CCCC1)OCCc2ccccc2O 34a_100000751722_100000722297 [0,1,0,1,0,0|1,0,0]=3 12361 B17R2.156395 CC1(CCCC1)OCCc2ccccc2O 7a_100000751722_100000722297 [0,1,0,1,0,0|1,0,0]=3 12362 B17R2.156395 Cc1ccccc1CCOC2(CCCC2)C 34a_100000751722_100011713688 [0,1,0,1,0,0|1,0,0]=3 12363 B17R2.156395 Cc1ccccc1CCOC2(CCCC2)C 7a_100000751722_100011713688 [0,1,0,1,0,0|1,0,0]=3 12364 B17R2.156530 CC(NCCc1ccccc1Br)C2CCC2 2230a_100016994624_100012161201 [0,1,0,1,0,0|2,0,0]=4 12365 B17R2.156530 CC(NCCc1ccccc1Br)C2CCC2 269862a_100000747383_100000760154 [0,1,0,1,0,0|2,0,0]=4 12366 B17R2.156530 CC(NCCc1ccccc1Br)C2CCC2 34a_100016994624_100012161201 [0,1,0,1,0,0|2,0,0]=4 12367 B17R2.156530 CC(NCCc1ccccc1Cl)C2CCC2 2230a_100016994624_100011713703 [0,1,0,1,0,0|2,0,0]=4 12368 B17R2.156530 CC(NCCc1ccccc1Cl)C2CCC2 269862a_100011207228_100000760154 [0,1,0,1,0,0|2,0,0]=4 12369 B17R2.156530 CC(NCCc1ccccc1Cl)C2CCC2 270004a_100016994624_200011713468 [0,1,0,1,0,0|2,0,0]=4 12370 B17R2.156530 CC(NCCc1ccccc1Cl)C2CCC2 34a_100016994624_100011713703 [0,1,0,1,0,0|2,0,0]=4 12371 B17R2.156530 CC(NCCc1ccccc1F)C2CCC2 2230a_100016994624_100011713696 [0,1,0,1,0,0|2,0,0]=4 12372 B17R2.156530 CC(NCCc1ccccc1F)C2CCC2 269862a_100000185272_100000760154 [0,1,0,1,0,0|2,0,0]=4 12373 B17R2.156530 CC(NCCc1ccccc1F)C2CCC2 34a_100016994624_100000720011 [0,1,0,1,0,0|2,0,0]=4 12374 B17R2.156530 CC(NCCc1ccccc1O)C2CCC2 269862a_100011207237_100000760154 [0,1,0,1,0,0|2,0,0]=4 12375 B17R2.156530 CC(NCCc1ccccc1O)C2CCC2 34a_100016994624_100000722297 [0,1,0,1,0,0|2,0,0]=4 12376 B17R2.156530 CC(OCCc1ccccc1Br)C2CCC2 34a_100000766398_100012161201 [0,1,0,1,0,0|1,0,0]=3 12377 B17R2.156530 CC(OCCc1ccccc1Br)C2CCC2 7a_100000766398_100012161201 [0,1,0,1,0,0|1,0,0]=3 12378 B17R2.156530 CC(OCCc1ccccc1Cl)C2CCC2 34a_100000766398_100011713703 [0,1,0,1,0,0|1,0,0]=3 12379 B17R2.156530 CC(OCCc1ccccc1Cl)C2CCC2 7a_100000766398_100011713703 [0,1,0,1,0,0|1,0,0]=3 12380 B17R2.156530 CC(OCCc1ccccc1F)C2CCC2 34a_100000766398_100000720011 [0,1,0,1,0,0|1,0,0]=3 12381 B17R2.156530 CC(OCCc1ccccc1F)C2CCC2 7a_100000766398_100000720011 [0,1,0,1,0,0|1,0,0]=3 12382 B17R2.156530 CC(OCCc1ccccc1O)C2CCC2 34a_100000766398_100000722297 [0,1,0,1,0,0|1,0,0]=3 12383 B17R2.156530 CC(OCCc1ccccc1O)C2CCC2 7a_100000766398_100000722297 [0,1,0,1,0,0|1,0,0]=3 12384 B17R2.156530 Cc1ccccc1CCNC(C)C2CCC2 2230a_100016994624_100011713688 [0,1,0,1,0,0|2,0,0]=4 12385 B17R2.156530 Cc1ccccc1CCNC(C)C2CCC2 269862a_100000685071_100000760154 [0,1,0,1,0,0|2,0,0]=4 12386 B17R2.156530 Cc1ccccc1CCNC(C)C2CCC2 34a_100016994624_100011713688 [0,1,0,1,0,0|2,0,0]=4 12387 B17R2.156530 Cc1ccccc1CCOC(C)C2CCC2 34a_100000766398_100011713688 [0,1,0,1,0,0|1,0,0]=3 12388 B17R2.156530 Cc1ccccc1CCOC(C)C2CCC2 7a_100000766398_100011713688 [0,1,0,1,0,0|1,0,0]=3 12389 B17R2.262 CCC1CCCCN1CCc2ccccc2 2230a_100000210034_100000765856 [0,1,0,1,0,0|2,0,0]=4 12390 B17R2.262 CCC1CCCCN1CCc2ccccc2 269982a_100000210034_100000765856 [0,1,0,1,0,0|2,0,0]=4 12391 B17R2.262 CCC1CCCCN1CCc2ccccc2 34a_100000210034_100000765856 [0,1,0,1,0,0|2,0,0]=4 12392 B17R2.262 OCC1CCCCN1CCc2ccccc2 2230a_100000210821_100000765856 [0,1,0,1,0,0|2,0,0]=4 12393 B17R2.262 OCC1CCCCN1CCc2ccccc2 269982a_100000210821_100000765856 [0,1,0,1,0,0|2,0,0]=4 12394 B17R2.262 OCC1CCCCN1CCc2ccccc2 34a_100000210821_100000765856 [0,1,0,1,0,0|2,0,0]=4 12395 B17R2.81378 C#CC1(CCCC1)OCCc2ccccc2 34a_100000189447_100000765856 [0,1,0,1,0,0|1,0,1]=4 12396 B17R2.81378 C#CC1(CCCC1)OCCc2ccccc2 7a_100000189447_100000765856 [0,1,0,1,0,0|1,0,1]=4 12397 B17R2.81378 CCC1(CCCC1)NCCc2ccccc2 2230a_100015183760_100000765856 [0,1,0,1,0,0|2,0,0]=4 12398 B17R2.81378 CCC1(CCCC1)OCCc2ccccc2 7a_100000752416_100000765856 [0,1,0,1,0,0|1,0,0]=3 12399 B17R2.81378 CCC1(CCCC1)OCCc2ccccn2 7a_100000752416_100015183660 [0,1,0,1,0,0|2,0,0]=4 12400 B17R2.81378 CCC1(CCCC1)OCCc2cccnc2 7a_100000752416_200011713674 [0,1,0,1,0,0|2,0,0]=4 12401 B17R2.81378 CCC1(CCCC1)OCCc2ccncc2 7a_100000752416_100000723409 [0,1,0,1,0,0|2,0,0]=4 12402 B17R2.81378 N#CC1(CCCC1)OCCc2ccccc2 34a_100000744759_100000765856 [0,1,0,1,0,0|1,0,1]=4 12403 B17R2.81378 N#CC1(CCCC1)OCCc2ccccc2 7a_100000744759_100000765856 [0,1,0,1,0,0|1,0,1]=4 12404 B17R2.81378 NCC1(CCCC1)OCCc2ccccc2 34a_100000737848_100000765856 [0,1,0,1,0,0|1,0,0]=3 12405 B17R2.81378 OCC1(CCCC1)NCCc2ccccc2 2230a_100000749328_100000765856 [0,1,0,1,0,0|2,0,0]=4 12406 B17R2.81378 OCC1(CCCC1)NCCc2ccccc2 34a_100000749328_100000765856 [0,1,0,1,0,0|2,0,0]=4 12407 B17R2.371157 CCCOC1(CCCc2c1cccc2)CN 34a_100000753875_100000210303 [0,1,0,1,0,0|1,0,0]=3 12408 B17R2.371157 CSCOC1(CCCc2c1cccc2)CN 34a_100000753875_100011218213 [0,1,0,1,0,0|2,0,0]=4 12409 B17R2.371157 NCC1(CCCc2c1cccc2)OCCF 34a_100000753875_100011217306 [0,1,0,1,0,0|2,0,0]=4 12410 B17R2.371157 NCC1(CCCc2c1cccc2)OCCO 34a_100000753875_100000211926 [0,1,0,1,0,0|2,0,0]=4 12411 B17R2.983769 C#CC(CCCC)OC1Cc2c1cccc2 7a_200011217967_100009813401 [0,1,0,1,0,0|1,0,1]=4 12412 B17R2.983769 C=CC(CCCC)OC1Cc2c1cccc2 7a_200011215037_100009813401 [0,1,0,1,0,0|1,0,1]=4 12413 B17R2.983769 CCCCC(CC)OC1Cc2c1cccc2 7a_100011215227_100009813401 [0,1,0,1,0,0|1,0,0]=3 12414 B17R2.983769 CCCCC(CC)SC1Cc2c1cccc2 62a_100009813401_200011216223 [0,1,0,1,0,0|1,1,0]=4 12415 B17R2.983769 CCCCC(CC)SC1Cc2c1cccc2 62a_200011216223_100009813401 [0,1,0,1,0,0|1,1,0]=4 12416 B17R2.172 CCCN(C)C1CCC(C1)c2ccccc2 270004a_100000747261_100000750937 [0,1,0,1,0,0|2,0,0]=4 12417 B17R2.3348 CC1CC(C(=O)O1)OCCc2ccccc2 34a_100000210268_200000216747 [0,1,0,1,0,0|2,0,0]=4 12418 B17R2.3348 CC1CC(C(=O)O1)OCCc2ccccc2 7a_100000210268_200000216747 [0,1,0,1,0,0|2,0,0]=4 12419 B17R2.5242 CC(CCCc1ccccc1)N2CC(C2)F 2230a_100000690557_200010759516 [0,1,0,1,0,0|2,0,0]=4 12420 B17R2.5242 CC(CCCc1ccccc1)N2CC(C2)F 269982a_100000690557_200010759516 [0,1,0,1,0,0|2,0,0]=4 12421 B17R2.5242 CC(CCCc1ccccc1)N2CC(C2)F 34a_100000690557_200010759516 [0,1,0,1,0,0|2,0,0]=4 12422 B17R2.5242 CC(CCCc1ccccc1)N2CC(C2)O 269982a_100000749847_200010759516 [0,1,0,1,0,0|2,0,0]=4 12423 B17R2.5242 CC1CN(C1)C(C)CCCc2ccccc2 2230a_100000702820_200010759516 [0,1,0,1,0,0|2,0,0]=4 12424 B17R2.5242 CC1CN(C1)C(C)CCCc2ccccc2 269982a_100000702820_200010759516 [0,1,0,1,0,0|2,0,0]=4 12425 B17R2.5242 CC1CN(C1)C(C)CCCc2ccccc2 34a_100000702820_200010759516 [0,1,0,1,0,0|2,0,0]=4 12426 B17R2.294958 CC(OCCc1ccccc1)C2(COC2)C 7a_200021536307_100000765856 [0,1,0,1,0,0|2,0,0]=4 12427 B17R2.294964 CC(CCCc1ccccc1)C(=O)C2CC2 1458a_100000210395_200010759516 [0,1,0,1,0,0|2,0,0]=4 12428 B17R2.294964 CC(CCCc1ccccc1)N(C)C2CC2 2230a_100000226674_200010759516 [0,1,0,1,0,0|2,0,0]=4 12429 B17R2.294964 CC(CCCc1ccccc1)N(C)C2CC2 269982a_100000226674_200010759516 [0,1,0,1,0,0|2,0,0]=4 12430 B17R2.559093 CCCC(C)C(C)OC1Cc2c1cccc2 7a_100000708338_100009813401 [0,1,0,1,0,0|1,0,0]=3 12431 B17R2.559093 CCOC(=O)[C@H](C)OC1Cc2c1cccc2 7a_100000751109_100009813401 [0,1,0,1,0,0|2,0,0]=4 12432 B17R2.20376 CC1CCC(N1CCc2ccccc2)(C)C 2230a_100015204717_100000765856 [0,1,0,1,0,0|2,0,0]=4 12433 B17R2.20376 CC1CCC(N1CCc2ccccc2)(C)C 269982a_100015204717_100000765856 [0,1,0,1,0,0|2,0,0]=4 12434 B17R2.20376 CC1CCC(N1CCc2ccccc2)(C)C 34a_100015204717_100000765856 [0,1,0,1,0,0|2,0,0]=4 12435 B17R2.710313 CC(C)(CCCBr)OC1Cc2c1cccc2 7a_100009888830_100009813401 [0,1,0,1,0,0|2,0,0]=4 12436 B17R2.710313 CCCCC(C)(C)OC1Cc2c1cccc2 7a_100011219641_100009813401 [0,1,0,1,0,0|1,0,0]=3 12437 B17R2.3543 CC(C)CNC1CCC(C1)c2ccccc2 270004a_100000210953_100000750937 [0,1,0,1,0,0|2,0,0]=4 12438 B17R2.3543 CC(O)CNC1CCC(C1)c2ccccc2 270004a_100000210904_100000750937 [0,1,0,1,0,0|2,0,0]=4 12439 B17R2.20821 CC1(CCC(C1)NCCc2ccccc2)C 270004a_100000106460_100000759959 [0,1,0,1,0,0|2,0,0]=4 12440 B17R2.159276 C=C(C)COC1(CCCc2c1cccc2)C 34a_200011345745_100000748629 [0,1,0,1,0,0|1,0,1]=4 12441 B17R2.159276 C=C(C)COC1(CCCc2c1cccc2)C 7a_200011345745_100000748629 [0,1,0,1,0,0|1,0,1]=4 12442 B17R2.159276 CC(C)COC1(CCCc2c1cccc2)C 34a_200011345745_100000210624 [0,1,0,1,0,0|1,0,0]=3 12443 B17R2.159276 CC(C)COC1(CCCc2c1cccc2)C 7a_200011345745_100000210760 [0,1,0,1,0,0|1,0,0]=3 12444 B17R2.159276 CC(O)COC1(CCCc2c1cccc2)C 34a_200011345745_100011218427 [0,1,0,1,0,0|1,0,0]=3 12445 B17R2.159276 CC(O)COC1(CCCc2c1cccc2)C 7a_200011345745_100011218427 [0,1,0,1,0,0|1,0,0]=3 12446 B17R2.159276 CC1(CCCc2c1cccc2)OCC(F)F 34a_200011345745_100011934356 [0,1,0,1,0,0|2,0,0]=4 12447 B17R2.159276 CC1(CCCc2c1cccc2)OCC(F)F 7a_200011345745_100011934356 [0,1,0,1,0,0|2,0,0]=4 12448 B17R2.159276 C[C@@H](O)COC1(CCCc2c1cccc2)C 34a_200011345745_100009817552 [0,1,0,1,0,0|1,0,0]=3 12449 B17R2.159276 C[C@@H](O)COC1(CCCc2c1cccc2)C 7a_200011345745_100009817552 [0,1,0,1,0,0|1,0,0]=3 12450 B17R2.956801 CC(C)CCC(C)OC1Cc2c1cccc2 7a_100011215350_100009813401 [0,1,0,1,0,0|1,0,0]=3 12451 B17R2.956801 CC(C)CCC(C)SC1Cc2c1cccc2 62a_100009813401_100011261404 [0,1,0,1,0,0|1,1,0]=4 12452 B17R2.956801 CC(C)CCC(C)SC1Cc2c1cccc2 62a_100011261404_100009813401 [0,1,0,1,0,0|1,1,0]=4 12453 B17R3.1939 c1ccc2c(c1)CC2OC3CCCCC3 7a_100000210231_100009813401 [0,0,0,2,0,0|1,0,0]=3 12454 B17R3.1939 c1ccc2c(c1)CC2OC3CCCSC3 7a_100015962668_100009813401 [0,0,0,2,0,0|2,0,0]=4 12455 B17R3.1939 c1ccc2c(c1)CC2OC3CCSCC3 7a_100000731022_100009813401 [0,0,0,2,0,0|2,0,0]=4 12456 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100000210327_100009813401 [0,0,0,2,0,0|1,1,0]=4 12457 B17R3.1939 c1ccc2c(c1)CC2SC3CCCCC3 62a_100009813401_100000210327 [0,0,0,2,0,0|1,1,0]=4 12458 B17R3.3061 CC1CCCCN1C2Cc3c2cccc3 269982a_100000211376_100009813401 [0,0,0,2,0,0|2,0,0]=4 12459 B17R3.8723 c1ccc(cc1)CCN2CC3CCC2C3 2230a_100000743476_100000765856 [0,0,0,2,0,0|2,0,0]=4 12460 B17R3.8723 c1ccc(cc1)CCN2CC3CCC2C3 269982a_100000743476_100000765856 [0,0,0,2,0,0|2,0,0]=4 12461 B17R3.8723 c1ccc(cc1)CCN2CC3CCC2C3 34a_100000743476_100000765856 [0,0,0,2,0,0|2,0,0]=4 12462 B17R3.8753 c1ccc(cc1)CCNC2CC3(C2)CC3 270004a_100000106460_100000718549 [0,0,0,2,0,0|2,0,0]=4 12463 B17R3.1937 c1ccc(cc1)CCNC2CC3CC3C2 270004a_100000106460_100010340937 [0,0,0,2,0,0|2,0,0]=4 12464 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 2230a_100000735658_100000765856 [0,0,0,2,0,0|2,0,0]=4 12465 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 269982a_100000735658_100000765856 [0,0,0,2,0,0|2,0,0]=4 12466 B17R3.8720 c1ccc(cc1)CCN2C3CCC2CC3 34a_100000735658_100000765856 [0,0,0,2,0,0|2,0,0]=4 12467 B17R3.8750 c1ccc(cc1)CCNC2CCC3C2C3 269862a_100000106460_100000692480 [0,0,0,2,0,0|2,0,0]=4 12468 B17R3.8750 c1ccc(cc1)CCNC2CCC3C2C3 270004a_100000106460_100000692480 [0,0,0,2,0,0|2,0,0]=4 12469 B17R3.8750 c1ccc(cc1)CCOC2CCC3C2C3 34a_200012295571_100000765856 [0,0,0,2,0,0|1,0,0]=3 12470 B17R3.204133 CC1CCC(N1C2Cc3c2cccc3)C 269982a_100000687148_100009813401 [0,0,0,2,0,0|2,0,0]=4 12471 B17R3.28407 CC1(CCCC1)OC2Cc3c2cccc3 7a_100000751722_100009813401 [0,0,0,2,0,0|1,0,0]=3 12472 B17R3.213381 CC1(CCCc2c1cccc2)OC3CC3 34a_200011345745_100000211595 [0,0,0,2,0,0|1,0,0]=3 12473 B17R3.483735 CC(OC1Cc2c1cccc2)C3CCC3 7a_100000766398_100009813401 [0,0,0,2,0,0|1,0,0]=3 12474 B13R0.176 C=CC=CC(=O)NCC(C)OCCC 1626a_100015185124_100016291481 [0,0,1,0,1,0|2,0,0]=4 12475 B13R1.119 CCCCCOCCc1cccs1 34a_100000210253_100000748579 [1,0,0,0,1,0|2,0,0]=4 12476 B13R1.119 CCCCCOCCc1cccs1 34a_100011216825_100000718602 [1,0,0,0,1,0|2,0,0]=4 12477 B13R1.119 CCCCCOCCc1cccs1 7a_100000210253_100000748579 [1,0,0,0,1,0|2,0,0]=4 12478 B13R1.119 CCCCCOCCc1cccs1 7a_100011216825_100000210326 [1,0,0,0,1,0|2,0,0]=4 12479 B13R1.119 CCCCCOCCc1ccsc1 34a_100000748821_100000718602 [1,0,0,0,1,0|2,0,0]=4 12480 B13R1.119 CCCCCOCCn1cccc1 34a_100000179382_100000718602 [1,0,0,0,1,0|2,0,0]=4 12481 B13R1.119 CCCCCOCCn1cccc1 7a_100000210253_200000035178 [1,0,0,0,1,0|2,0,0]=4 12482 B13R1.42 C#CCC(C)OCc1ccccc1 34a_100000685586_100015291786 [1,0,0,0,1,0|0,0,2]=4 12483 B13R1.42 C#CCC(C)OCc1ccccc1 7a_100000685586_100000211182 [1,0,0,0,1,0|0,0,2]=4 12484 B13R1.42 C/C=C/C(C)OCc1ccccc1 34a_200102604097_100015291786 [1,0,0,0,1,0|0,0,2]=4 12485 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 34a_100000731007_100015291786 [1,0,0,0,1,0|0,0,2]=4 12486 B13R1.42 C=CC[C@@H](C)OCc1ccccc1 7a_100000731007_100000211182 [1,0,0,0,1,0|0,0,2]=4 12487 B13R1.42 CC#CC(C)OCc1ccccc1 34a_100011216543_100015291786 [1,0,0,0,1,0|0,0,2]=4 12488 B13R1.42 CC(CC#N)OCc1ccccc1 7a_100000210790_100009813641 [1,0,0,0,1,0|1,0,1]=4 12489 B13R1.42 CC(CCBr)OCc1ccccc1 34a_100012276601_100015291786 [1,0,0,0,1,0|1,0,0]=3 12490 B13R1.42 CC(CCBr)OCc1ccccn1 34a_100012276601_100000721315 [1,0,0,0,1,0|2,0,0]=4 12491 B13R1.42 CC(CCBr)OCc1cccnc1 34a_100012276601_100000733263 [1,0,0,0,1,0|2,0,0]=4 12492 B13R1.42 CC(CCO)NCc1ccccc1 2230a_100015324214_100009893172 [1,0,0,0,1,0|2,0,0]=4 12493 B13R1.42 CC(CCO)NCc1ccccc1 34a_100015324214_100009893172 [1,0,0,0,1,0|2,0,0]=4 12494 B13R1.42 CC(CCO)OCc1ccccc1 34a_100000210790_100009893172 [1,0,0,0,1,0|1,0,0]=3 12495 B13R1.42 CC(CCO)OCc1ccccc1 7a_100000210790_100009893172 [1,0,0,0,1,0|1,0,0]=3 12496 B13R1.42 CC(CCO)SCc1ccccc1 62a_100000211182_100009893172 [1,0,0,0,1,0|1,1,0]=4 12497 B13R1.42 CC(CCO)SCc1ccccc1 62a_100009893172_100015291786 [1,0,0,0,1,0|1,1,0]=4 12498 B13R1.42 CC(CCc1ccccc1)NCF 34a_100000210798_100015361967 [1,0,0,0,1,0|2,0,0]=4 12499 B13R1.42 CC(COc1ccccc1)OCF 34a_100000210911_100015361967 [1,0,0,0,1,0|2,0,0]=4 12500 B13R1.42 CC(COc1ccccc1)OCF 7a_100000210911_100015361967 [1,0,0,0,1,0|2,0,0]=4 12501 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000185753_100000210303 [1,0,0,0,1,0|1,0,1]=4 12502 B13R1.42 CCCC(=O)CCc1ccccc1 1458a_100000211992_100000765856 [1,0,0,0,1,0|1,0,1]=4 12503 B13R1.42 CCCC(C)CNc1ccccc1 34a_100000106764_100011216630 [1,0,0,0,1,0|1,0,0]=3 12504 B13R1.42 CCCC(C)COc1ccccc1 34a_100000210340_100011216630 [1,0,0,0,1,0|1,0,0]=3 12505 B13R1.42 CCCC(C)COc1ccccc1 7a_100000210340_100011216630 [1,0,0,0,1,0|1,0,0]=3 12506 B13R1.42 CCCC(C)COc1cccnc1 34a_100000210849_100011216630 [1,0,0,0,1,0|2,0,0]=4 12507 B13R1.42 CCCC(C)COc1cccnc1 7a_100000210849_100011216630 [1,0,0,0,1,0|2,0,0]=4 12508 B13R1.42 CCCC(C)COc1ccncc1 34a_100000212176_100011216630 [1,0,0,0,1,0|2,0,0]=4 12509 B13R1.42 CCCC(C)CSc1ccccc1 62a_100000719477_100011216630 [1,0,0,0,1,0|1,0,0]=3 12510 B13R1.42 CCCC(C)CSc1ccccc1 62a_100011216630_100000041952 [1,0,0,0,1,0|1,0,0]=3 12511 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216584_100011216630 [1,0,0,0,1,0|2,0,0]=4 12512 B13R1.42 CCCC(C)CSc1ccccn1 62a_100011216630_100011216584 [1,0,0,0,1,0|2,0,0]=4 12513 B13R1.42 CCCC(C)CSc1cccnc1 62a_100000210063_100011216630 [1,0,0,0,1,0|2,0,0]=4 12514 B13R1.42 CCCC(C)CSc1cccnc1 62a_100011216630_100000210063 [1,0,0,0,1,0|2,0,0]=4 12515 B13R1.42 CCCC(C)CSc1ccncc1 62a_100000728582_100011216630 [1,0,0,0,1,0|2,0,0]=4 12516 B13R1.42 CCCC(C)CSc1ccncc1 62a_100011216630_100000728582 [1,0,0,0,1,0|2,0,0]=4 12517 B13R1.42 CCCC(C)NCc1ccccc1 207a_100000741246_100015611070 [1,0,0,0,1,0|1,0,0]=3 12518 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100000741246_100015291786 [1,0,0,0,1,0|1,0,0]=3 12519 B13R1.42 CCCC(C)NCc1ccccc1 2230a_100015324214_100000766640 [1,0,0,0,1,0|1,0,0]=3 12520 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100000741246_100015611070 [1,0,0,0,1,0|1,0,0]=3 12521 B13R1.42 CCCC(C)NCc1ccccc1 270004a_100015324214_100000211909 [1,0,0,0,1,0|1,0,0]=3 12522 B13R1.42 CCCC(C)NCc1ccccc1 34a_100015324214_100000766640 [1,0,0,0,1,0|1,0,0]=3 12523 B13R1.42 CCCC(C)NCc1ccccn1 207a_100000741246_100000209966 [1,0,0,0,1,0|2,0,0]=4 12524 B13R1.42 CCCC(C)NCc1ccccn1 2230a_100000741246_100000721315 [1,0,0,0,1,0|2,0,0]=4 12525 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000210449_100000211909 [1,0,0,0,1,0|2,0,0]=4 12526 B13R1.42 CCCC(C)NCc1ccccn1 270004a_100000741246_100000209966 [1,0,0,0,1,0|2,0,0]=4 12527 B13R1.42 CCCC(C)NCc1cccnc1 207a_100000741246_100000209961 [1,0,0,0,1,0|2,0,0]=4 12528 B13R1.42 CCCC(C)NCc1cccnc1 2230a_100000741246_100000741622 [1,0,0,0,1,0|2,0,0]=4 12529 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000210453_100000211909 [1,0,0,0,1,0|2,0,0]=4 12530 B13R1.42 CCCC(C)NCc1cccnc1 270004a_100000741246_100000209961 [1,0,0,0,1,0|2,0,0]=4 12531 B13R1.42 CCCC(C)NCc1ccncc1 207a_100000741246_100000186114 [1,0,0,0,1,0|2,0,0]=4 12532 B13R1.42 CCCC(C)NCc1ccncc1 2230a_100000741246_100015193705 [1,0,0,0,1,0|2,0,0]=4 12533 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000210790_100000766640 [1,0,0,0,1,0|0,0,0]=2 12534 B13R1.42 CCCC(C)OCc1ccccc1 34a_100000764384_100015291786 [1,0,0,0,1,0|0,0,0]=2 12535 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000210790_100000766640 [1,0,0,0,1,0|0,0,0]=2 12536 B13R1.42 CCCC(C)OCc1ccccc1 7a_100000764384_100000211182 [1,0,0,0,1,0|0,0,0]=2 12537 B13R1.42 CCCC(C)OCc1ccccn1 34a_100000764384_100000721315 [1,0,0,0,1,0|1,0,0]=3 12538 B13R1.42 CCCC(C)OCc1ccccn1 7a_100000764384_100000721315 [1,0,0,0,1,0|1,0,0]=3 12539 B13R1.42 CCCC(C)OCc1cccnc1 34a_100000764384_100000733263 [1,0,0,0,1,0|1,0,0]=3 12540 B13R1.42 CCCC(C)OCc1cccnc1 7a_100000764384_100000741622 [1,0,0,0,1,0|1,0,0]=3 12541 B13R1.42 CCCC(C)OCc1cccnn1 34a_100000764384_100016990269 [1,0,0,0,1,0|2,0,0]=4 12542 B13R1.42 CCCC(C)OCc1cccnn1 7a_100000764384_100016990269 [1,0,0,0,1,0|2,0,0]=4 12543 B13R1.42 CCCC(C)OCc1ccncc1 7a_100000764384_100015193705 [1,0,0,0,1,0|1,0,0]=3 12544 B13R1.42 CCCC(C)OCc1cnccn1 34a_100000764384_100016995436 [1,0,0,0,1,0|2,0,0]=4 12545 B13R1.42 CCCC(C)OCc1cnccn1 7a_100000764384_100016995436 [1,0,0,0,1,0|2,0,0]=4 12546 B13R1.42 CCCC(C)OCc1cncnc1 34a_100000764384_100015196519 [1,0,0,0,1,0|2,0,0]=4 12547 B13R1.42 CCCC(C)OCc1cncnc1 7a_100000764384_100015196519 [1,0,0,0,1,0|2,0,0]=4 12548 B13R1.42 CCCC(C)OCc1ncccn1 34a_100000764384_100000703007 [1,0,0,0,1,0|2,0,0]=4 12549 B13R1.42 CCCC(C)OCc1ncccn1 7a_100000764384_100000703007 [1,0,0,0,1,0|2,0,0]=4 12550 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000211182_100000766640 [1,0,0,0,1,0|0,1,0]=3 12551 B13R1.42 CCCC(C)SCc1ccccc1 62a_100000766640_100015291786 [1,0,0,0,1,0|0,1,0]=3 12552 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000721315_100000766640 [1,0,0,0,1,0|1,1,0]=4 12553 B13R1.42 CCCC(C)SCc1ccccn1 62a_100000766640_100000721315 [1,0,0,0,1,0|1,1,0]=4 12554 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000741622_100000766640 [1,0,0,0,1,0|1,1,0]=4 12555 B13R1.42 CCCC(C)SCc1cccnc1 62a_100000766640_100000741622 [1,0,0,0,1,0|1,1,0]=4 12556 B13R1.42 CCCC(C)SCc1ccncc1 62a_100000766640_100015193705 [1,0,0,0,1,0|1,1,0]=4 12557 B13R1.42 CCCC(C)SCc1ccncc1 62a_100015193705_100000766640 [1,0,0,0,1,0|1,1,0]=4 12558 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000207497_100000210303 [1,0,0,0,1,0|1,0,0]=3 12559 B13R1.42 CCCN(C)CCc1ccccc1 2230a_100000747261_100000765856 [1,0,0,0,1,0|1,0,0]=3 12560 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000207497_100000210303 [1,0,0,0,1,0|1,0,0]=3 12561 B13R1.42 CCCN(C)CCc1ccccc1 269982a_100000747261_100000765856 [1,0,0,0,1,0|1,0,0]=3 12562 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000176852_200000210301 [1,0,0,0,1,0|2,0,0]=4 12563 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000737206_100000210303 [1,0,0,0,1,0|2,0,0]=4 12564 B13R1.42 CCCN(C)CCc1ccccn1 2230a_100000747261_100015183660 [1,0,0,0,1,0|2,0,0]=4 12565 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000176852_200000210301 [1,0,0,0,1,0|2,0,0]=4 12566 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000737206_100000210303 [1,0,0,0,1,0|2,0,0]=4 12567 B13R1.42 CCCN(C)CCc1ccccn1 269982a_100000747261_100015183660 [1,0,0,0,1,0|2,0,0]=4 12568 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000747261_200011713674 [1,0,0,0,1,0|2,0,0]=4 12569 B13R1.42 CCCN(C)CCc1cccnc1 2230a_100000763209_100000210303 [1,0,0,0,1,0|2,0,0]=4 12570 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000747261_200011713674 [1,0,0,0,1,0|2,0,0]=4 12571 B13R1.42 CCCN(C)CCc1cccnc1 269982a_100000763209_100000210303 [1,0,0,0,1,0|2,0,0]=4 12572 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000742850_100000210303 [1,0,0,0,1,0|2,0,0]=4 12573 B13R1.42 CCCN(C)CCc1ccncc1 2230a_100000747261_100000723409 [1,0,0,0,1,0|2,0,0]=4 12574 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000742850_100000210303 [1,0,0,0,1,0|2,0,0]=4 12575 B13R1.42 CCCN(C)CCc1ccncc1 269982a_100000747261_100000723409 [1,0,0,0,1,0|2,0,0]=4 12576 B13R1.42 CCCN(C)CSc1ccccc1 2230a_100000747261_100011218342 [1,0,0,0,1,0|2,0,0]=4 12577 B13R1.42 CCCN(C)CSc1ccccc1 269982a_100000747261_100011218342 [1,0,0,0,1,0|2,0,0]=4 12578 B13R1.42 CCCN([13CH3])CCc1ccccn1 2230a_100000176852_200025704644 [1,0,0,0,1,0|2,0,0]=4 12579 B13R1.42 CCCN([13CH3])CCc1ccccn1 269982a_100000176852_200025704644 [1,0,0,0,1,0|2,0,0]=4 12580 B13R1.42 CCNC(C)CCc1ccccc1 2230a_100000210798_100000210202 [1,0,0,0,1,0|1,0,0]=3 12581 B13R1.42 CCNC(C)CCc1ccccc1 270004a_100015525214_100000210092 [1,0,0,0,1,0|1,0,0]=3 12582 B13R1.42 CCNC(C)CCc1ccccc1 34a_100000210798_100000210202 [1,0,0,0,1,0|1,0,0]=3 12583 B13R1.42 CCNC(C)COc1ccccc1 2230a_100000746794_100000210202 [1,0,0,0,1,0|2,0,0]=4 12584 B13R1.42 CCNC(C)COc1ccccc1 270004a_100015525214_100000150576 [1,0,0,0,1,0|2,0,0]=4 12585 B13R1.42 CCNC(C)COc1ccccc1 34a_100000746794_100000210202 [1,0,0,0,1,0|2,0,0]=4 12586 B13R1.42 CCNC(C)CSc1ccccc1 270004a_100015525214_100000150717 [1,0,0,0,1,0|2,0,0]=4 12587 B13R1.42 CCOC(C)C#Cc1ccccc1 34a_200000065209_100000210202 [1,0,0,0,1,0|0,0,2]=4 12588 B13R1.42 CCOC(C)C#Cc1ccccc1 7a_200000065209_100000210202 [1,0,0,0,1,0|0,0,2]=4 12589 B13R1.42 CCOC(C)COc1ccccc1 34a_100000210911_100000210202 [1,0,0,0,1,0|1,0,0]=3 12590 B13R1.42 CCOC(C)COc1ccccc1 7a_100000210911_100000210202 [1,0,0,0,1,0|1,0,0]=3 12591 B13R1.42 CCO[C@@H](C)CCc1ccccc1 34a_100009815974_100000210202 [1,0,0,0,1,0|0,0,0]=2 12592 B13R1.42 CCO[C@@H](C)CCc1ccccc1 7a_100009815974_100000210202 [1,0,0,0,1,0|0,0,0]=2 12593 B13R1.42 CN(CCF)CCc1ccccc1 2230a_100000207497_100011217306 [1,0,0,0,1,0|2,0,0]=4 12594 B13R1.42 CN(CCF)CCc1ccccc1 269982a_100000207497_100011217306 [1,0,0,0,1,0|2,0,0]=4 12595 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000207497_100000211926 [1,0,0,0,1,0|2,0,0]=4 12596 B13R1.42 CN(CCO)CCc1ccccc1 2230a_100000210263_100000765856 [1,0,0,0,1,0|2,0,0]=4 12597 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000207497_100000211926 [1,0,0,0,1,0|2,0,0]=4 12598 B13R1.42 CN(CCO)CCc1ccccc1 269982a_100000210263_100000765856 [1,0,0,0,1,0|2,0,0]=4 12599 B13R1.42 COCC(C)NCc1ccccc1 2230a_100015324214_100000765312 [1,0,0,0,1,0|2,0,0]=4 12600 B13R1.42 COCC(C)NCc1ccccc1 270004a_100015324214_100000749346 [1,0,0,0,1,0|2,0,0]=4 12601 B13R1.42 COCC(C)NCc1ccccc1 34a_100015324214_100000765312 [1,0,0,0,1,0|2,0,0]=4 12602 B13R1.42 COCC(C)OCc1ccccc1 34a_100000210790_100000765312 [1,0,0,0,1,0|1,0,0]=3 12603 B13R1.42 COCC(C)OCc1ccccc1 7a_100000210790_100000765312 [1,0,0,0,1,0|1,0,0]=3 12604 B13R1.42 COCC(C)SCc1ccccc1 62a_100000211182_100000765312 [1,0,0,0,1,0|1,1,0]=4 12605 B13R1.42 COCC(C)SCc1ccccc1 62a_100000765312_100015291786 [1,0,0,0,1,0|1,1,0]=4 12606 B13R1.42 COCN(C)CCc1ccccc1 2230a_100000207497_100000766300 [1,0,0,0,1,0|2,0,0]=4 12607 B13R1.42 COCN(C)CCc1ccccc1 269982a_100000207497_100000766300 [1,0,0,0,1,0|2,0,0]=4 12608 B13R1.42 COC[C@@H](C)NCc1ccccc1 207a_100000764878_100015611070 [1,0,0,0,1,0|2,0,0]=4 12609 B13R1.42 COC[C@@H](C)NCc1ccccc1 2230a_100000764878_100015291786 [1,0,0,0,1,0|2,0,0]=4 12610 B13R1.42 COC[C@@H](C)NCc1ccccc1 270004a_100000764878_100015611070 [1,0,0,0,1,0|2,0,0]=4 12611 B13R1.42 COC[C@@H](C)NCc1ccccc1 34a_100000762708_200000210301 [1,0,0,0,1,0|2,0,0]=4 12612 B13R1.42 COC[C@@H](C)OCc1ccccc1 34a_100011934205_100015291786 [1,0,0,0,1,0|1,0,0]=3 12613 B13R1.42 COC[C@@H](C)OCc1ccccn1 34a_100011934205_100000721315 [1,0,0,0,1,0|2,0,0]=4 12614 B13R1.42 COC[C@@H](C)OCc1cccnc1 34a_100011934205_100000733263 [1,0,0,0,1,0|2,0,0]=4 12615 B13R1.42 CSCC(C)NCc1ccccc1 270004a_100015324214_100011216314 [1,0,0,0,1,0|2,0,0]=4 12616 B13R1.42 CSCN(C)CCc1ccccc1 2230a_100000207497_100011218213 [1,0,0,0,1,0|2,0,0]=4 12617 B13R1.42 CSCN(C)CCc1ccccc1 269982a_100000207497_100011218213 [1,0,0,0,1,0|2,0,0]=4 12618 B13R1.42 C[C@@H](CCc1ccccc1)OCF 34a_100009815974_100015361967 [1,0,0,0,1,0|1,0,0]=3 12619 B13R1.42 C[C@@H](CCc1ccccc1)OCF 7a_100009815974_100015361967 [1,0,0,0,1,0|1,0,0]=3 12620 B13R1.42 C[C@H](CCO)NCc1ccccc1 207a_100000706166_100015611070 [1,0,0,0,1,0|2,0,0]=4 12621 B13R1.42 C[C@H](CCO)NCc1ccccc1 2230a_100000706166_100015291786 [1,0,0,0,1,0|2,0,0]=4 12622 B13R1.42 C[C@H](CCO)NCc1ccccc1 270004a_100000706166_100015611070 [1,0,0,0,1,0|2,0,0]=4 12623 B13R1.42 C[C@H](CCO)NCc1ccccc1 34a_100000706166_100015291786 [1,0,0,0,1,0|2,0,0]=4 12624 B13R1.42 C[C@H](CO[13CH3])NCc1ccccc1 34a_100000762708_200025704644 [1,0,0,0,1,0|2,0,0]=4 12625 B13R1.404 CC(CCBr)OCCc1cccs1 34a_100012276601_100000748579 [1,0,0,0,1,0|2,0,0]=4 12626 B13R1.404 CC(CCO)OCCc1cccs1 34a_100011216825_100009893172 [1,0,0,0,1,0|2,0,0]=4 12627 B13R1.404 CC(CCO)OCCc1cccs1 7a_100011216825_100009893172 [1,0,0,0,1,0|2,0,0]=4 12628 B13R1.404 CC(CCO)OCCc1ccsc1 34a_100000748821_100009893172 [1,0,0,0,1,0|2,0,0]=4 12629 B13R1.404 CC(CCO)OCCn1cccc1 34a_100000179382_100009893172 [1,0,0,0,1,0|2,0,0]=4 12630 B13R1.404 CCCC(C)NCCc1ccco1 2230a_100000694680_100000766640 [1,0,0,0,1,0|2,0,0]=4 12631 B13R1.404 CCCC(C)NCCc1ccco1 270004a_100000694680_100000211909 [1,0,0,0,1,0|2,0,0]=4 12632 B13R1.404 CCCC(C)NCCc1ccco1 34a_100000694680_100000766640 [1,0,0,0,1,0|2,0,0]=4 12633 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000203755_100000766640 [1,0,0,0,1,0|2,0,0]=4 12634 B13R1.404 CCCC(C)NCCc1cccs1 2230a_100000741246_100000748579 [1,0,0,0,1,0|2,0,0]=4 12635 B13R1.404 CCCC(C)NCCc1cccs1 270004a_100000203755_100000211909 [1,0,0,0,1,0|2,0,0]=4 12636 B13R1.404 CCCC(C)NCCc1cccs1 34a_100000203755_100000766640 [1,0,0,0,1,0|2,0,0]=4 12637 B13R1.404 CCCC(C)NCCc1ccsc1 2230a_100000692642_100000766640 [1,0,0,0,1,0|2,0,0]=4 12638 B13R1.404 CCCC(C)NCCc1ccsc1 270004a_100000692642_100000211909 [1,0,0,0,1,0|2,0,0]=4 12639 B13R1.404 CCCC(C)NCCc1ccsc1 34a_100000692642_100000766640 [1,0,0,0,1,0|2,0,0]=4 12640 B13R1.404 CCCC(C)NCCn1cccc1 2230a_100000741246_200009811947 [1,0,0,0,1,0|2,0,0]=4 12641 B13R1.404 CCCC(C)NCCn1cccc1 270004a_100011368172_100000211909 [1,0,0,0,1,0|2,0,0]=4 12642 B13R1.404 CCCC(C)NCCn1cccc1 34a_100011368172_100000766640 [1,0,0,0,1,0|2,0,0]=4 12643 B13R1.404 CCCC(C)OCC[n+]1ccsc1 34a_200000100414_100000766640 [1,0,0,0,1,0|2,0,0]=4 12644 B13R1.404 CCCC(C)OCCc1c[nH]cn1 7a_100000764384_100020628418 [1,0,0,0,1,0|2,0,0]=4 12645 B13R1.404 CCCC(C)OCCc1cccs1 34a_100000764384_100000748579 [1,0,0,0,1,0|1,0,0]=3 12646 B13R1.404 CCCC(C)OCCc1cccs1 34a_100011216825_100000766640 [1,0,0,0,1,0|1,0,0]=3 12647 B13R1.404 CCCC(C)OCCc1cccs1 7a_100000764384_100000748579 [1,0,0,0,1,0|1,0,0]=3 12648 B13R1.404 CCCC(C)OCCc1cccs1 7a_100011216825_100000766640 [1,0,0,0,1,0|1,0,0]=3 12649 B13R1.404 CCCC(C)OCCc1ccsc1 34a_100000748821_100000766640 [1,0,0,0,1,0|1,0,0]=3 12650 B13R1.404 CCCC(C)OCCc1cn[nH]c1 34a_100000766553_100000766640 [1,0,0,0,1,0|2,0,0]=4 12651 B13R1.404 CCCC(C)OCCc1cn[nH]c1 7a_100000764384_100000743252 [1,0,0,0,1,0|2,0,0]=4 12652 B13R1.404 CCCC(C)OCCc1cnoc1 34a_100000732699_100000766640 [1,0,0,0,1,0|2,0,0]=4 12653 B13R1.404 CCCC(C)OCCc1ncc[nH]1 34a_103549771195_100000766640 [1,0,0,0,1,0|2,0,0]=4 12654 B13R1.404 CCCC(C)OCCn1cccc1 34a_100000179382_100000766640 [1,0,0,0,1,0|1,0,0]=3 12655 B13R1.404 CCCC(C)OCCn1cccc1 7a_100000764384_200000035178 [1,0,0,0,1,0|1,0,0]=3 12656 B13R1.404 CCCC(C)OCCn1cccn1 34a_100000743371_100000766640 [1,0,0,0,1,0|2,0,0]=4 12657 B13R1.404 CCCC(C)OCCn1cccn1 34a_100000764384_100015204718 [1,0,0,0,1,0|2,0,0]=4 12658 B13R1.404 CCCC(C)OCCn1cccn1 7a_100000764384_100000685285 [1,0,0,0,1,0|2,0,0]=4 12659 B13R1.404 CCCC(C)OCCn1ccnc1 34a_100000719764_100000766640 [1,0,0,0,1,0|2,0,0]=4 12660 B13R1.404 CCCC(C)OCCn1ccnc1 7a_100000764384_100000702546 [1,0,0,0,1,0|2,0,0]=4 12661 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000748579_100000766640 [1,0,0,0,1,0|1,1,0]=4 12662 B13R1.404 CCCC(C)SCCc1cccs1 62a_100000766640_100000748579 [1,0,0,0,1,0|1,1,0]=4 12663 B13R1.404 CCCC(C)SCCn1cccc1 62a_100000766640_200000035178 [1,0,0,0,1,0|1,1,0]=4 12664 B13R1.404 CCCC(C)SCCn1cccc1 62a_200009811947_100000766640 [1,0,0,0,1,0|1,1,0]=4 12665 B13R1.404 COCC(C)OCCc1cccs1 34a_100011216825_100000765312 [1,0,0,0,1,0|2,0,0]=4 12666 B13R1.404 COCC(C)OCCc1cccs1 7a_100011216825_100000765312 [1,0,0,0,1,0|2,0,0]=4 12667 B13R1.404 COCC(C)OCCc1ccsc1 34a_100000748821_100000765312 [1,0,0,0,1,0|2,0,0]=4 12668 B13R1.404 COCC(C)OCCn1cccc1 34a_100000179382_100000765312 [1,0,0,0,1,0|2,0,0]=4 12669 B13R1.404 COC[C@@H](C)OCCc1cccs1 34a_100011934205_100000748579 [1,0,0,0,1,0|2,0,0]=4 12670 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000210247_200011218536 [0,0,0,0,2,0|0,0,2]=4 12671 B13R1.44 C#CCOC(C)Cc1ccccc1 34a_100000748627_100000184674 [0,0,0,0,2,0|0,0,2]=4 12672 B13R1.44 C#CCOC(C)Cc1ccccc1 7a_100000748627_100000038162 [0,0,0,0,2,0|0,0,2]=4 12673 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_100000748627_100015514636 [0,0,0,0,2,0|0,0,2]=4 12674 B13R1.44 C=CCOC(C)Cc1ccccc1 34a_200000210373_200011218536 [0,0,0,0,2,0|0,0,2]=4 12675 B13R1.44 C=CCOC(C)Cc1ccccc1 7a_100000748627_100015514636 [0,0,0,0,2,0|0,0,2]=4 12676 B13R1.44 CC(Cc1ccccc1)NCCF 34a_100000724931_200011218536 [0,0,0,0,2,0|2,0,0]=4 12677 B13R1.44 CC(Cc1ccccc1)NCCO 34a_100016990907_200011218536 [0,0,0,0,2,0|2,0,0]=4 12678 B13R1.44 CC(Cc1ccccc1)OCC#N 7a_100000748627_100011215382 [0,0,0,0,2,0|1,0,1]=4 12679 B13R1.44 CC(Cc1ccccc1)OCC=O 34a_100000748627_200009817547 [0,0,0,0,2,0|1,0,1]=4 12680 B13R1.44 CC(Cc1ccccc1)OCC=O 7a_100000748627_200015260668 [0,0,0,0,2,0|1,0,1]=4 12681 B13R1.44 CC(Cc1ccccc1)OCCBr 34a_100000211926_200011218536 [0,0,0,0,2,0|1,0,0]=3 12682 B13R1.44 CC(Cc1ccccc1)OCCF 34a_100000748627_100011217306 [0,0,0,0,2,0|1,0,0]=3 12683 B13R1.44 CC(Cc1ccccc1)OCCF 7a_100000748627_100011217306 [0,0,0,0,2,0|1,0,0]=3 12684 B13R1.44 CC(Cc1ccccc1)OCCN 34a_100000210304_200011218536 [0,0,0,0,2,0|1,0,0]=3 12685 B13R1.44 CC(Cc1ccccc1)OCCO 34a_100000748627_100000211926 [0,0,0,0,2,0|1,0,0]=3 12686 B13R1.44 CC(Cc1ccccc1)OCCO 7a_100000748627_100000211926 [0,0,0,0,2,0|1,0,0]=3 12687 B13R1.44 CC(Cc1ccccc1)SCCF 62a_100011217306_200011218536 [0,0,0,0,2,0|1,1,0]=4 12688 B13R1.44 CC(Cc1ccccc1)SCCF 62a_200011218536_100011217306 [0,0,0,0,2,0|1,1,0]=4 12689 B13R1.44 CC(Cc1ccccc1)SCCO 62a_100000211926_200011218536 [0,0,0,0,2,0|1,1,0]=4 12690 B13R1.44 CC(Cc1ccccc1)SCCO 62a_200011218536_100000211926 [0,0,0,0,2,0|1,1,0]=4 12691 B13R1.44 CCCCC(C)Nc1ccccc1 34a_100000106764_200011215066 [0,0,0,0,2,0|2,0,0]=4 12692 B13R1.44 CCCCC(C)Oc1ccccc1 34a_100000210340_200011215066 [0,0,0,0,2,0|1,0,0]=3 12693 B13R1.44 CCCCC(C)Oc1ccccc1 7a_100000210340_200011215066 [0,0,0,0,2,0|1,0,0]=3 12694 B13R1.44 CCCCC(C)Oc1cccnc1 34a_100000210849_200011215066 [0,0,0,0,2,0|2,0,0]=4 12695 B13R1.44 CCCCC(C)Oc1cccnc1 7a_100000210849_200011215066 [0,0,0,0,2,0|2,0,0]=4 12696 B13R1.44 CCCCC(C)Oc1ccncc1 34a_100000212176_200011215066 [0,0,0,0,2,0|2,0,0]=4 12697 B13R1.44 CCCCC(C)Sc1ccccc1 62a_100000719477_200011215066 [0,0,0,0,2,0|1,1,0]=4 12698 B13R1.44 CCCCC(C)Sc1ccccc1 62a_200011215066_100000041952 [0,0,0,0,2,0|1,1,0]=4 12699 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000186898_100000210211 [0,0,0,0,2,0|2,0,0]=4 12700 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_100000207549_100015291786 [0,0,0,0,2,0|2,0,0]=4 12701 B13R1.44 CCCCN(C)Cc1ccccc1 2230a_200000196024_200000210301 [0,0,0,0,2,0|2,0,0]=4 12702 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000186898_100000210211 [0,0,0,0,2,0|2,0,0]=4 12703 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_100000207549_100000211182 [0,0,0,0,2,0|2,0,0]=4 12704 B13R1.44 CCCCN(C)Cc1ccccc1 269982a_200000196024_200000210301 [0,0,0,0,2,0|2,0,0]=4 12705 B13R1.44 CCCCN(C)Cc1ccccc1 270004a_100000207549_100015611070 [0,0,0,0,2,0|2,0,0]=4 12706 B13R1.44 CCCCN([13CH3])Cc1ccccc1 2230a_200000196024_200025704644 [0,0,0,0,2,0|2,0,0]=4 12707 B13R1.44 CCCCN([13CH3])Cc1ccccc1 269982a_200000196024_200025704644 [0,0,0,0,2,0|2,0,0]=4 12708 B13R1.44 CCCNC(C)C[n+]1ccccc1 270004a_100020643023_100000034229 [0,0,0,0,2,0|2,0,0]=4 12709 B13R1.44 CCCNC(C)Cc1ccccn1 2230a_100000238496_100000210303 [0,0,0,0,2,0|2,0,0]=4 12710 B13R1.44 CCCNC(C)Cc1cccnc1 2230a_100011207255_100000210303 [0,0,0,0,2,0|2,0,0]=4 12711 B13R1.44 CCCNC(C)Cc1cccnc1 270004a_100020643023_100015187140 [0,0,0,0,2,0|2,0,0]=4 12712 B13R1.44 CCCNC(C)Cc1ccncc1 270004a_100020643023_100000238508 [0,0,0,0,2,0|2,0,0]=4 12713 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000210258_200011218536 [0,0,0,0,2,0|0,0,0]=2 12714 B13R1.44 CCCOC(C)Cc1ccccc1 34a_100000748627_100000210303 [0,0,0,0,2,0|0,0,0]=2 12715 B13R1.44 CCCOC(C)Cc1ccccc1 7a_100000748627_100000210303 [0,0,0,0,2,0|0,0,0]=2 12716 B13R1.44 CCCSC(C)Cc1ccccc1 62a_100000210303_200011218536 [0,0,0,0,2,0|0,1,0]=3 12717 B13R1.44 CCCSC(C)Cc1ccccc1 62a_200011218536_100000210303 [0,0,0,0,2,0|0,1,0]=3 12718 B13R1.44 CCNCC(C)Oc1ccccc1 2230a_100000755676_100000210202 [0,0,0,0,2,0|2,0,0]=4 12719 B13R1.44 CCNCC(C)Oc1ccccc1 34a_100000755676_100000210202 [0,0,0,0,2,0|2,0,0]=4 12720 B13R1.44 CCOCC(C)Cc1ccccc1 34a_100012125295_100000210202 [0,0,0,0,2,0|2,0,0]=4 12721 B13R1.44 CCOCC(C)Cc1ccccc1 7a_100012125295_100000210202 [0,0,0,0,2,0|2,0,0]=4 12722 B13R1.44 CCOCC(C)Oc1ccccc1 34a_200000036796_100000210202 [0,0,0,0,2,0|2,0,0]=4 12723 B13R1.44 CCOCC(C)Oc1ccccc1 7a_200000036796_100000210202 [0,0,0,0,2,0|2,0,0]=4 12724 B13R1.44 COCSC(C)Cc1ccccc1 62a_100000766300_200011218536 [0,0,0,0,2,0|1,1,0]=4 12725 B13R1.44 COCSC(C)Cc1ccccc1 62a_200011218536_100000766300 [0,0,0,0,2,0|1,1,0]=4 12726 B13R1.44 CSCOC(C)Cc1ccccc1 34a_100000748627_100011218213 [0,0,0,0,2,0|1,0,0]=3 12727 B13R1.44 CSCSC(C)Cc1ccccc1 62a_100011218213_200011218536 [0,0,0,0,2,0|1,1,0]=4 12728 B13R1.44 CSCSC(C)Cc1ccccc1 62a_200011218536_100011218213 [0,0,0,0,2,0|1,1,0]=4 12729 B13R1.153 CCCCC(C)OCc1ccco1 34a_100000210059_200011215066 [0,0,0,0,2,0|2,0,0]=4 12730 B13R1.153 CCCCC(C)OCc1cccs1 34a_100000211240_200011215066 [0,0,0,0,2,0|2,0,0]=4 12731 B13R1.153 CCCCC(C)OCc1ccoc1 34a_100011215357_200011215066 [0,0,0,0,2,0|2,0,0]=4 12732 B13R1.153 CCCCC(C)OCc1ccsc1 34a_100000687866_100011261437 [0,0,0,0,2,0|2,0,0]=4 12733 B13R1.153 CCCCC(C)OCc1ccsc1 34a_100011215551_200011215066 [0,0,0,0,2,0|2,0,0]=4 12734 B13R1.153 CCCCC(C)OCc1ccsc1 7a_100000687866_100011261437 [0,0,0,0,2,0|2,0,0]=4 12735 B13R1.153 CCCNC(C)CCc1ccco1 2230a_100000199034_100000210303 [0,0,0,0,2,0|2,0,0]=4 12736 B13R1.153 CCCNC(C)CCc1ccco1 34a_100000199034_100000210303 [0,0,0,0,2,0|2,0,0]=4 12737 B17R1.1559 C#CCOC(C)COCCCc1ccccc1 34a_200000093152_100000211621 [0,0,0,0,0,2|0,0,2]=4 12738 B17R1.1559 C#CCOC(C)COCCCc1ccccc1 7a_200000093152_100000211621 [0,0,0,0,0,2|0,0,2]=4 12739 B17R1.1559 C#CCOC(C)COCCOc1ccccc1 34a_200000093152_100000184471 [0,0,0,0,0,2|0,0,2]=4 12740 B17R1.1559 C#CCOC(C)COCCOc1ccccc1 7a_200000093152_100000184471 [0,0,0,0,0,2|0,0,2]=4 12741 B17R1.1559 C#CCOC(C)COCCSc1ccccc1 34a_200000093152_100000246102 [0,0,0,0,0,2|0,0,2]=4 12742 B17R1.1559 C#CCOC(C)COCCSc1ccccc1 7a_200000093152_100000246102 [0,0,0,0,0,2|0,0,2]=4 12743 B17R1.1559 C#CCOC(C)COCOCc1ccccc1 34a_200000093152_100000763385 [0,0,0,0,0,2|0,0,2]=4 12744 B17R1.1559 C#CCOC(C)COCSCc1ccccc1 34a_200000093152_200011217039 [0,0,0,0,0,2|0,0,2]=4 12745 B17R1.1559 CC(CCCCl)OCCCCc1ccccc1 34a_200000718107_100000701786 [0,0,0,0,0,2|2,0,0]=4 12746 B17R1.1559 CC(CCCCl)OCCCCc1ccccc1 7a_200000718107_100000701786 [0,0,0,0,0,2|2,0,0]=4 12747 B17R1.1559 CC(CCCCl)OCCCOc1ccccc1 34a_200000718107_100000199009 [0,0,0,0,0,2|2,0,0]=4 12748 B17R1.1559 CC(CCCCl)OCCCOc1ccccc1 7a_200000718107_100000199009 [0,0,0,0,0,2|2,0,0]=4 12749 B17R1.1559 CC(CCCCl)OCCCSc1ccccc1 34a_200000718107_200011203293 [0,0,0,0,0,2|2,0,0]=4 12750 B17R1.1559 CC(CCCCl)OCCCSc1ccccc1 7a_200000718107_200011203293 [0,0,0,0,0,2|2,0,0]=4 12751 B17R1.1559 CC(CCCCl)OCCOCc1ccccc1 34a_200000718107_100000234347 [0,0,0,0,0,2|2,0,0]=4 12752 B17R1.1559 CC(CCCCl)OCCOCc1ccccc1 7a_200000718107_100000234347 [0,0,0,0,0,2|2,0,0]=4 12753 B17R1.1559 CC(CCCCl)OCCSCc1ccccc1 34a_200000718107_200011297719 [0,0,0,0,0,2|2,0,0]=4 12754 B17R1.1559 CCC#CC(C)OCCCCc1ccccc1 34a_100000033903_100000701786 [0,0,0,0,0,2|1,0,1]=4 12755 B17R1.1559 CCC#CC(C)OCCCCc1ccccc1 7a_100000033903_100000701786 [0,0,0,0,0,2|1,0,1]=4 12756 B17R1.1559 CCC#CC(C)OCCCOc1ccccc1 34a_100000033903_100000199009 [0,0,0,0,0,2|1,0,1]=4 12757 B17R1.1559 CCC#CC(C)OCCCOc1ccccc1 7a_100000033903_100000199009 [0,0,0,0,0,2|1,0,1]=4 12758 B17R1.1559 CCC#CC(C)OCCCSc1ccccc1 34a_100000033903_200011203293 [0,0,0,0,0,2|1,0,1]=4 12759 B17R1.1559 CCC#CC(C)OCCCSc1ccccc1 7a_100000033903_200011203293 [0,0,0,0,0,2|1,0,1]=4 12760 B17R1.1559 CCC#CC(C)OCCOCc1ccccc1 34a_100000033903_100000234347 [0,0,0,0,0,2|1,0,1]=4 12761 B17R1.1559 CCC#CC(C)OCCOCc1ccccc1 7a_100000033903_100000234347 [0,0,0,0,0,2|1,0,1]=4 12762 B17R1.1559 CCC#CC(C)OCCSCc1ccccc1 34a_100000033903_200011297719 [0,0,0,0,0,2|1,0,1]=4 12763 B17R1.1559 CCCCC(C)COC/C=C/c1ccccc1 34a_100011995851_100016265936 [0,0,0,0,0,2|1,0,1]=4 12764 B17R1.1559 CCCCC(C)COC/C=C/c1ccccc1 7a_100011995851_100016265936 [0,0,0,0,0,2|1,0,1]=4 12765 B17R1.1559 CCCCC(C)COCC#Cc1ccccc1 34a_100011995851_100011352542 [0,0,0,0,0,2|1,0,1]=4 12766 B17R1.1559 CCCCC(C)COCC#Cc1ccccc1 7a_100011995851_100011352542 [0,0,0,0,0,2|1,0,1]=4 12767 B17R1.1559 CCCCC(C)COCCCc1ccccc1 34a_100011995851_100000211621 [0,0,0,0,0,2|1,0,0]=3 12768 B17R1.1559 CCCCC(C)COCCCc1ccccc1 7a_100011995851_100000211621 [0,0,0,0,0,2|1,0,0]=3 12769 B17R1.1559 CCCCC(C)COCCOc1ccccc1 34a_100011995851_100000184471 [0,0,0,0,0,2|1,0,0]=3 12770 B17R1.1559 CCCCC(C)COCCOc1ccccc1 7a_100011995851_100000184471 [0,0,0,0,0,2|1,0,0]=3 12771 B17R1.1559 CCCCC(C)COCCSc1ccccc1 34a_100011995851_100000246102 [0,0,0,0,0,2|1,0,0]=3 12772 B17R1.1559 CCCCC(C)COCCSc1ccccc1 7a_100011995851_100000246102 [0,0,0,0,0,2|1,0,0]=3 12773 B17R1.1559 CCCCC(C)COCOCc1ccccc1 34a_100011995851_100000763385 [0,0,0,0,0,2|1,0,0]=3 12774 B17R1.1559 CCCCC(C)COCSCc1ccccc1 34a_100011995851_200011217039 [0,0,0,0,0,2|1,0,0]=3 12775 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 2230a_100000126638_100000701786 [0,0,0,0,0,2|2,0,0]=4 12776 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 2230a_100015280158_200011215066 [0,0,0,0,0,2|2,0,0]=4 12777 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 270004a_100015280158_100000210087 [0,0,0,0,0,2|2,0,0]=4 12778 B17R1.1559 CCCCC(C)NCCCCc1ccccc1 34a_100015280158_200011215066 [0,0,0,0,0,2|2,0,0]=4 12779 B17R1.1559 CCCCC(C)NCCCOc1ccccc1 2230a_100000126638_100000199009 [0,0,0,0,0,2|2,0,0]=4 12780 B17R1.1559 CCCCC(C)NCCCOc1ccccc1 2230a_100000216521_200011215066 [0,0,0,0,0,2|2,0,0]=4 12781 B17R1.1559 CCCCC(C)NCCCOc1ccccc1 270004a_100000216521_100000210087 [0,0,0,0,0,2|2,0,0]=4 12782 B17R1.1559 CCCCC(C)NCCCOc1ccccc1 34a_100000216521_200011215066 [0,0,0,0,0,2|2,0,0]=4 12783 B17R1.1559 CCCCC(C)NCCCSc1ccccc1 2230a_100000126638_200011203293 [0,0,0,0,0,2|2,0,0]=4 12784 B17R1.1559 CCCCC(C)NCCCSc1ccccc1 2230a_100000184639_200011215066 [0,0,0,0,0,2|2,0,0]=4 12785 B17R1.1559 CCCCC(C)NCCCSc1ccccc1 270004a_100000184639_100000210087 [0,0,0,0,0,2|2,0,0]=4 12786 B17R1.1559 CCCCC(C)NCCOCc1ccccc1 2230a_100000126638_100000234347 [0,0,0,0,0,2|2,0,0]=4 12787 B17R1.1559 CCCCC(C)NCCOCc1ccccc1 2230a_100000753106_200011215066 [0,0,0,0,0,2|2,0,0]=4 12788 B17R1.1559 CCCCC(C)NCCOCc1ccccc1 270004a_100000753106_100000210087 [0,0,0,0,0,2|2,0,0]=4 12789 B17R1.1559 CCCCC(C)NCCOCc1ccccc1 34a_100000753106_200011215066 [0,0,0,0,0,2|2,0,0]=4 12790 B17R1.1559 CCCCC(C)NCCSCc1ccccc1 2230a_100000126638_200011297719 [0,0,0,0,0,2|2,0,0]=4 12791 B17R1.1559 CCCCC(C)NCCSCc1ccccc1 2230a_100000189534_200011215066 [0,0,0,0,0,2|2,0,0]=4 12792 B17R1.1559 CCCCC(C)NCCSCc1ccccc1 270004a_100000189534_100000210087 [0,0,0,0,0,2|2,0,0]=4 12793 B17R1.1559 CCCCC(C)NCCSCc1ccccc1 34a_100000189534_200011215066 [0,0,0,0,0,2|2,0,0]=4 12794 B17R1.1559 CCCCC(C)NCCSCc1ccccc1 7a_100000189534_200011215066 [0,0,0,0,0,2|2,0,0]=4 12795 B17R1.1559 CCCCC(C)OCCC#Cc1ccccc1 34a_100000760064_200011215066 [0,0,0,0,0,2|1,0,0]=3 12796 B17R1.1559 CCCCC(C)OCCC#Cc1ccccc1 7a_100000760064_200011215066 [0,0,0,0,0,2|1,0,0]=3 12797 B17R1.1559 CCCCC(C)OCCC#Cc1ccccn1 34a_200011894334_200011215066 [0,0,0,0,0,2|2,0,0]=4 12798 B17R1.1559 CCCCC(C)OCCC#Cc1cccnc1 34a_200011376248_200011215066 [0,0,0,0,0,2|2,0,0]=4 12799 B17R1.1559 CCCCC(C)OCCC#Cc1ccncc1 34a_100011894394_200011215066 [0,0,0,0,0,2|2,0,0]=4 12800 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 34a_100000687866_100000701786 [0,0,0,0,0,2|1,0,0]=3 12801 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 34a_100000703073_200011215066 [0,0,0,0,0,2|1,0,0]=3 12802 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 7a_100000687866_100000701786 [0,0,0,0,0,2|1,0,0]=3 12803 B17R1.1559 CCCCC(C)OCCCCc1ccccc1 7a_100000703073_200011215066 [0,0,0,0,0,2|1,0,0]=3 12804 B17R1.1559 CCCCC(C)OCCCCc1ccccn1 34a_100012186994_200011215066 [0,0,0,0,0,2|2,0,0]=4 12805 B17R1.1559 CCCCC(C)OCCCCc1cccnc1 34a_100012039607_200011215066 [0,0,0,0,0,2|2,0,0]=4 12806 B17R1.1559 CCCCC(C)OCCCCc1cccnc1 7a_100012039607_200011215066 [0,0,0,0,0,2|2,0,0]=4 12807 B17R1.1559 CCCCC(C)OCCCCc1ccncc1 34a_100011787716_200011215066 [0,0,0,0,0,2|2,0,0]=4 12808 B17R1.1559 CCCCC(C)OCCCCc1ccncc1 7a_100000687866_100020630000 [0,0,0,0,0,2|2,0,0]=4 12809 B17R1.1559 CCCCC(C)OCCCNc1ccccc1 34a_100000212590_200011215066 [0,0,0,0,0,2|1,0,0]=3 12810 B17R1.1559 CCCCC(C)OCCCOc1ccccc1 34a_100000687866_100000199009 [0,0,0,0,0,2|1,0,0]=3 12811 B17R1.1559 CCCCC(C)OCCCOc1ccccc1 34a_100011215863_200011215066 [0,0,0,0,0,2|1,0,0]=3 12812 B17R1.1559 CCCCC(C)OCCCOc1ccccc1 7a_100000687866_100000199009 [0,0,0,0,0,2|1,0,0]=3 12813 B17R1.1559 CCCCC(C)OCCCOc1ccccc1 7a_100011215863_200011215066 [0,0,0,0,0,2|1,0,0]=3 12814 B17R1.1559 CCCCC(C)OCCCSc1ccccc1 34a_100000687866_200011203293 [0,0,0,0,0,2|1,0,0]=3 12815 B17R1.1559 CCCCC(C)OCCCSc1ccccc1 7a_100000687866_200011203293 [0,0,0,0,0,2|1,0,0]=3 12816 B17R1.1559 CCCCC(C)OCCNCc1ccccc1 34a_100000180844_200011215066 [0,0,0,0,0,2|1,0,0]=3 12817 B17R1.1559 CCCCC(C)OCCOCc1ccccc1 34a_100000687866_100000234347 [0,0,0,0,0,2|1,0,0]=3 12818 B17R1.1559 CCCCC(C)OCCOCc1ccccc1 34a_100000759325_200011215066 [0,0,0,0,0,2|1,0,0]=3 12819 B17R1.1559 CCCCC(C)OCCOCc1ccccc1 7a_100000687866_100000234347 [0,0,0,0,0,2|1,0,0]=3 12820 B17R1.1559 CCCCC(C)OCCOCc1ccccc1 7a_100000759325_200011215066 [0,0,0,0,0,2|1,0,0]=3 12821 B17R1.1559 CCCCC(C)OCCSCc1ccccc1 34a_100000687866_200011297719 [0,0,0,0,0,2|1,0,0]=3 12822 B17R1.1559 CCCCC(C)OCCSCc1ccccc1 34a_100011205989_200011215066 [0,0,0,0,0,2|1,0,0]=3 12823 B17R1.1559 CCCCC(C)OCCSCc1ccccc1 7a_100011205989_200011215066 [0,0,0,0,0,2|1,0,0]=3 12824 B17R1.1559 CCCCC(C)OCCSSc1ccccn1 7a_100009993218_200011215066 [0,0,0,0,0,2|2,0,0]=4 12825 B17R1.1559 CCCCC(C)SCCCOc1ccccc1 62a_100000199009_200011215066 [0,0,0,0,0,2|1,1,0]=4 12826 B17R1.1559 CCCCC(C)SCCCOc1ccccc1 62a_200011215066_100000199009 [0,0,0,0,0,2|1,1,0]=4 12827 B17R1.1559 CCCCC(C)SCCOCc1ccccc1 62a_100000234347_200011215066 [0,0,0,0,0,2|1,1,0]=4 12828 B17R1.1559 CCCCC(C)SCCOCc1ccccc1 62a_200011215066_100000234347 [0,0,0,0,0,2|1,1,0]=4 12829 B17R1.1559 CCCC[C@H](N)COCCCc1ccccc1 34a_100011934283_100000211621 [0,0,0,0,0,2|2,0,0]=4 12830 B17R1.1559 CCCC[C@H](N)COCCOc1ccccc1 34a_100011934283_100000184471 [0,0,0,0,0,2|2,0,0]=4 12831 B17R1.1559 CCCC[C@H](N)COCCSc1ccccc1 34a_100011934283_100000246102 [0,0,0,0,0,2|2,0,0]=4 12832 B17R1.1559 CCCC[C@H](N)COCOCc1ccccc1 34a_100011934283_100000763385 [0,0,0,0,0,2|2,0,0]=4 12833 B17R1.1559 CCCC[C@H](N)COCSCc1ccccc1 34a_100011934283_200011217039 [0,0,0,0,0,2|2,0,0]=4 12834 B17R1.1559 CCCOC(=O)COCCCc1ccccc1 34a_100000210828_200011215008 [0,0,0,0,0,2|1,0,1]=4 12835 B17R1.1559 CCCOC(=O)COCCCc1ccccc1 7a_100000210828_200011215008 [0,0,0,0,0,2|1,0,1]=4 12836 B17R1.1559 CCCOC(=O)COCCNc1ccccc1 34a_100000211345_200011215008 [0,0,0,0,0,2|1,0,1]=4 12837 B17R1.1559 CCCOC(=O)COCCOc1ccccc1 34a_100000210260_200011215008 [0,0,0,0,0,2|1,0,1]=4 12838 B17R1.1559 CCCOC(=O)COCCOc1ccccc1 7a_100000210260_200011215008 [0,0,0,0,0,2|1,0,1]=4 12839 B17R1.1559 CCCOC(=O)COCCSc1ccccc1 7a_100000230494_200011215008 [0,0,0,0,0,2|1,0,1]=4 12840 B17R1.1559 CCCOC(=O)OCNCCc1ccccc1 34a_100000106460_200000139673 [0,0,0,0,0,2|1,0,1]=4 12841 B17R1.1559 CCCOC(=O)OCOCCc1ccccc1 34a_100000210268_200000139673 [0,0,0,0,0,2|1,0,1]=4 12842 B17R1.1559 CCCOC(=O)OCOCCc1ccccc1 7a_100000210268_200000139673 [0,0,0,0,0,2|1,0,1]=4 12843 B17R1.1559 CCCOC(=O)OCSCCc1ccccc1 62a_100000765856_200000139673 [0,0,0,0,0,2|1,0,1]=4 12844 B17R1.1559 CCCOC(=O)OCSCSc1ccccc1 62a_100011218342_200000139673 [0,0,0,0,0,2|1,0,1]=4 12845 B17R1.1559 CCCOC(C)CNC/C=C/c1ccccc1 2230a_100015185124_100016265936 [0,0,0,0,0,2|1,0,1]=4 12846 B17R1.1559 CCCOC(C)CNC/C=C/c1ccccc1 34a_100015185124_100016265936 [0,0,0,0,0,2|1,0,1]=4 12847 B17R1.1559 CCCOC(C)CNCC#Cc1ccccc1 2230a_100015185124_100011352542 [0,0,0,0,0,2|1,0,1]=4 12848 B17R1.1559 CCCOC(C)CNCC#Cc1ccccc1 34a_100015185124_100011352542 [0,0,0,0,0,2|1,0,1]=4 12849 B17R1.1559 CCCOC(C)CNCC=Cc1ccccc1 270004a_100015185124_100000210105 [0,0,0,0,0,2|1,0,1]=4 12850 B17R1.1559 CCCOC(C)CNCCCc1ccccc1 2230a_100015185124_100000211621 [0,0,0,0,0,2|1,0,0]=3 12851 B17R1.1559 CCCOC(C)CNCCCc1ccccc1 34a_100015185124_100000211621 [0,0,0,0,0,2|1,0,0]=3 12852 B17R1.1559 CCCOC(C)CNCCOc1ccccc1 2230a_100015185124_100000184471 [0,0,0,0,0,2|1,0,0]=3 12853 B17R1.1559 CCCOC(C)CNCCOc1ccccc1 270004a_100015185124_100000758736 [0,0,0,0,0,2|1,0,0]=3 12854 B17R1.1559 CCCOC(C)CNCCOc1ccccc1 34a_100015185124_100000184471 [0,0,0,0,0,2|1,0,0]=3 12855 B17R1.1559 CCCOC(C)CNCCSc1ccccc1 2230a_100015185124_100000246102 [0,0,0,0,0,2|1,0,0]=3 12856 B17R1.1559 CCCOC(C)CNCCSc1ccccc1 34a_100015185124_100000246102 [0,0,0,0,0,2|1,0,0]=3 12857 B17R1.1559 CCCOC(C)CNCOCc1ccccc1 2230a_100015185124_100000763385 [0,0,0,0,0,2|1,0,0]=3 12858 B17R1.1559 CCCOC(C)CNCOCc1ccccc1 34a_100015185124_100000763385 [0,0,0,0,0,2|1,0,0]=3 12859 B17R1.1559 CCCOC(C)CNCSCc1ccccc1 2230a_100015185124_200011217039 [0,0,0,0,0,2|1,0,0]=3 12860 B17R1.1559 CCCOC(C)CNCSCc1ccccc1 34a_100015185124_200011217039 [0,0,0,0,0,2|1,0,0]=3 12861 B17R1.1559 CCOCC(C)OCCCCc1ccccc1 34a_100000718985_100000701786 [0,0,0,0,0,2|2,0,0]=4 12862 B17R1.1559 CCOCC(C)OCCCCc1ccccc1 7a_100000718985_100000701786 [0,0,0,0,0,2|2,0,0]=4 12863 B17R1.1559 CCOCC(C)OCCCOc1ccccc1 34a_100000718985_100000199009 [0,0,0,0,0,2|2,0,0]=4 12864 B17R1.1559 CCOCC(C)OCCCOc1ccccc1 7a_100000718985_100000199009 [0,0,0,0,0,2|2,0,0]=4 12865 B17R1.1559 CCOCC(C)OCCCSc1ccccc1 34a_100000718985_200011203293 [0,0,0,0,0,2|2,0,0]=4 12866 B17R1.1559 CCOCC(C)OCCCSc1ccccc1 7a_100000718985_200011203293 [0,0,0,0,0,2|2,0,0]=4 12867 B17R1.1559 CCOCC(C)OCCOCc1ccccc1 34a_100000718985_100000234347 [0,0,0,0,0,2|2,0,0]=4 12868 B17R1.1559 CCOCC(C)OCCOCc1ccccc1 7a_100000718985_100000234347 [0,0,0,0,0,2|2,0,0]=4 12869 B17R1.1559 CCOCC(C)OCCSCc1ccccc1 34a_100000718985_200011297719 [0,0,0,0,0,2|2,0,0]=4 12870 B17R1.1559 COCO[C@H](C)COC/C=C/c1ccccc1 34a_100016172286_100016265936 [0,0,0,0,0,2|1,0,1]=4 12871 B17R1.1559 COCO[C@H](C)COC/C=C/c1ccccc1 7a_100016172286_100016265936 [0,0,0,0,0,2|1,0,1]=4 12872 B17R1.1559 COCO[C@H](C)COCC#Cc1ccccc1 34a_100016172286_100011352542 [0,0,0,0,0,2|1,0,1]=4 12873 B17R1.1559 COCO[C@H](C)COCC#Cc1ccccc1 7a_100016172286_100011352542 [0,0,0,0,0,2|1,0,1]=4 12874 B17R1.1559 COCO[C@H](C)COCCCc1ccccc1 34a_100016172286_100000211621 [0,0,0,0,0,2|1,0,0]=3 12875 B17R1.1559 COCO[C@H](C)COCCCc1ccccc1 7a_100016172286_100000211621 [0,0,0,0,0,2|1,0,0]=3 12876 B17R1.1559 COCO[C@H](C)COCCOc1ccccc1 34a_100016172286_100000184471 [0,0,0,0,0,2|1,0,0]=3 12877 B17R1.1559 COCO[C@H](C)COCCOc1ccccc1 7a_100016172286_100000184471 [0,0,0,0,0,2|1,0,0]=3 12878 B17R1.1559 COCO[C@H](C)COCCSc1ccccc1 34a_100016172286_100000246102 [0,0,0,0,0,2|1,0,0]=3 12879 B17R1.1559 COCO[C@H](C)COCCSc1ccccc1 7a_100016172286_100000246102 [0,0,0,0,0,2|1,0,0]=3 12880 B17R1.1559 COCO[C@H](C)COCOCc1ccccc1 34a_100016172286_100000763385 [0,0,0,0,0,2|1,0,0]=3 12881 B17R1.1559 COCO[C@H](C)COCSCc1ccccc1 34a_100016172286_200011217039 [0,0,0,0,0,2|1,0,0]=3