0 B17R2.5753 CCOc1cc(ccc1O)c2nc(no2)C 270196a_100000212224_100011260950 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.539 CC=Cc1cc(ccc1F)C2OCCO2 271570a_100016259895_100010165081 [1,0,0,0,0,0|2,0,1]=4 2 B16R2.539 CCSc1cc(ccc1F)C2OCCO2 62a_100000210202_100010165081 [1,0,0,0,0,0|1,1,0]=3 3 B16R2.539 FCSc1cc(ccc1F)C2OCCO2 62a_100015361967_100010165081 [1,0,0,0,0,0|2,1,0]=4 4 B18R2.7258 CCOc1cc(ccc1OC)C2OCC(O2)C 34a_100009991348_200000210301 [0,1,0,0,0,0|0,0,0]=1 5 B18R2.7258 CCOc1cc(ccc1OC)C2OCC(O2)C 7a_100009991348_200000210301 [0,1,0,0,0,0|0,0,0]=1 6 B18R2.7258 CCOc1cc(ccc1O[13CH3])C2OCC(O2)C 34a_100009991348_200025704644 [0,1,0,0,0,0|0,0,0]=1 7 B18R2.7258 CCOc1cc(ccc1O[13CH3])C2OCC(O2)C 7a_100009991348_200025704644 [0,1,0,0,0,0|0,0,0]=1 8 B16R1.1502 CCCCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210211 [0,0,1,0,0,0|1,0,2]=4 9 B16R1.1502 CCCNC(=O)c1ccc(c(c1)OCC)O 240690a_100020643023_100011260950 [0,0,1,0,0,0|1,0,2]=4 10 B16R1.1502 CCCNC(C)c1ccc(c(c1)OCC)F 269862a_100020643023_200009852100 [0,0,1,0,0,0|3,0,0]=4 11 B16R1.12733 C=C(C)CNCc1ccc(c(c1)OCC)O 34a_200000751567_100000748629 [0,0,1,0,0,0|2,0,1]=4 12 B16R1.12733 CCOc1cc(ccc1Br)CNCC(C)C 207a_100000210953_200010381951 [0,0,1,0,0,0|3,0,0]=4 13 B16R1.12733 CCOc1cc(ccc1Br)CNCC(C)C 270004a_100000210953_200010381951 [0,0,1,0,0,0|3,0,0]=4 14 B16R1.12733 CCOc1cc(ccc1Br)CNCC(C)O 207a_100000210904_200010381951 [0,0,1,0,0,0|2,0,0]=3 15 B16R1.12733 CCOc1cc(ccc1Br)CNCC(C)O 270004a_100000210904_200010381951 [0,0,1,0,0,0|2,0,0]=3 16 B16R1.12733 CCOc1cc(ccc1Br)NCCC(C)O 2230a_200016990551_100012276601 [0,0,1,0,0,0|3,0,0]=4 17 B16R1.12733 CCOc1cc(ccc1Br)NCCC(C)O 34a_200016990551_100012276601 [0,0,1,0,0,0|3,0,0]=4 18 B16R1.12733 CCOc1cc(ccc1Br)NCCC(C)O 7a_200016990551_100012276601 [0,0,1,0,0,0|3,0,0]=4 19 B16R1.12733 CCOc1cc(ccc1C)SCCC(C)O 62a_100012276601_100012361169 [0,0,1,0,0,0|3,0,0]=4 20 B16R1.12733 CCOc1cc(ccc1C)SCCC(C)O 62a_100012361169_100012276601 [0,0,1,0,0,0|3,0,0]=4 21 B16R1.12733 CCOc1cc(ccc1Cl)NCCC(C)O 2230a_100011964961_100012276601 [0,0,1,0,0,0|3,0,0]=4 22 B16R1.12733 CCOc1cc(ccc1Cl)NCCC(C)O 34a_100011964961_100012276601 [0,0,1,0,0,0|3,0,0]=4 23 B16R1.12733 CCOc1cc(ccc1F)CNCC(C)C 207a_100000210953_200000106648 [0,0,1,0,0,0|3,0,0]=4 24 B16R1.12733 CCOc1cc(ccc1F)CNCC(C)C 270004a_100000210953_200000106648 [0,0,1,0,0,0|3,0,0]=4 25 B16R1.12733 CCOc1cc(ccc1F)CNCC(C)O 207a_100000210904_200000106648 [0,0,1,0,0,0|2,0,0]=3 26 B16R1.12733 CCOc1cc(ccc1F)CNCC(C)O 270004a_100000210904_200000106648 [0,0,1,0,0,0|2,0,0]=3 27 B16R1.12733 CCOc1cc(ccc1F)SCCC(C)O 62a_100012276601_200012344967 [0,0,1,0,0,0|3,0,0]=4 28 B16R1.12733 CCOc1cc(ccc1F)SCCC(C)O 62a_200012344967_100012276601 [0,0,1,0,0,0|3,0,0]=4 29 B16R1.12733 CCOc1cc(ccc1N)SCCC(C)O 62a_100000688918_100012276601 [0,0,1,0,0,0|3,0,0]=4 30 B16R1.12733 CCOc1cc(ccc1O)CNCC(C)C 270004a_200000751567_100000210432 [0,0,1,0,0,0|2,0,0]=3 31 B16R1.12733 CCOc1cc(ccc1O)CNCC(C)C 34a_200000751567_100000210624 [0,0,1,0,0,0|2,0,0]=3 32 B16R1.12733 CCOc1cc(ccc1O)CNCC(C)O 34a_200000751567_100011218427 [0,0,1,0,0,0|1,0,0]=2 33 B16R1.12733 CCOc1cc(ccc1O)CNCC(F)F 34a_200000751567_100011934356 [0,0,1,0,0,0|3,0,0]=4 34 B16R1.12733 CCOc1cc(ccc1O)CNC[C@@H](C)O 34a_200000751567_100009817552 [0,0,1,0,0,0|1,0,0]=2 35 B16R1.12748 CCOc1cc(ccc1C)[C@@H](N)CC(C)C 271570a_100015190218_100012361169 [0,0,1,0,0,0|3,0,0]=4 36 B16R1.12748 CCOc1cc(ccc1F)[C@@H](N)CC(C)C 271570a_100015190218_200012344967 [0,0,1,0,0,0|3,0,0]=4 37 B16R1.12748 CCOc1cc(ccc1N)[C@@H](N)CC(C)C 271570a_100015190218_100000688918 [0,0,1,0,0,0|3,0,0]=4 38 B16R1.12748 CCOc1cc(ccc1O)C(=O)CC(C)C 1458a_100011260950_100000210624 [0,0,1,0,0,0|1,0,2]=4 39 B16R1.12748 CCOc1cc(ccc1O)C(=O)NC(C)C 240690a_100138425928_100011260950 [0,0,1,0,0,0|1,0,2]=4 40 B16R1.12750 C#CC(C)NCc1ccc(c(c1)OCC)O 34a_200000751567_200000035995 [0,0,1,0,0,0|2,0,1]=4 41 B16R1.12750 CCOc1cc(ccc1Br)CNC(C)CC 207a_100000209981_200010381951 [0,0,1,0,0,0|3,0,0]=4 42 B16R1.12750 CCOc1cc(ccc1Br)CNC(C)CC 270004a_100000209981_200010381951 [0,0,1,0,0,0|3,0,0]=4 43 B16R1.12750 CCOc1cc(ccc1Br)CN[C@H](C)CF 207a_100102880703_200010381951 [0,0,1,0,0,0|3,0,0]=4 44 B16R1.12750 CCOc1cc(ccc1Br)CN[C@H](C)CF 270004a_100102880703_200010381951 [0,0,1,0,0,0|3,0,0]=4 45 B16R1.12750 CCOc1cc(ccc1Br)CN[C@H](C)CO 207a_100000737577_200010381951 [0,0,1,0,0,0|2,0,0]=3 46 B16R1.12750 CCOc1cc(ccc1Br)CN[C@H](C)CO 270004a_100000737577_200010381951 [0,0,1,0,0,0|2,0,0]=3 47 B16R1.12750 CCOc1cc(ccc1Br)NC[C@@H](C)CO 2230a_200016990551_100000059175 [0,0,1,0,0,0|3,0,0]=4 48 B16R1.12750 CCOc1cc(ccc1Br)NC[C@@H](C)CO 34a_200016990551_100000059175 [0,0,1,0,0,0|3,0,0]=4 49 B16R1.12750 CCOc1cc(ccc1Br)NC[C@@H](C)CO 7a_200016990551_100000059175 [0,0,1,0,0,0|3,0,0]=4 50 B16R1.12750 CCOc1cc(ccc1C)SC[C@@H](C)CO 62a_100000059175_100012361169 [0,0,1,0,0,0|3,0,0]=4 51 B16R1.12750 CCOc1cc(ccc1C)SC[C@@H](C)CO 62a_100012361169_100000059175 [0,0,1,0,0,0|3,0,0]=4 52 B16R1.12750 CCOc1cc(ccc1Cl)NC[C@@H](C)CO 2230a_100011964961_100000059175 [0,0,1,0,0,0|3,0,0]=4 53 B16R1.12750 CCOc1cc(ccc1Cl)NC[C@@H](C)CO 34a_100011964961_100000059175 [0,0,1,0,0,0|3,0,0]=4 54 B16R1.12750 CCOc1cc(ccc1F)CNC(C)CC 207a_100000209981_200000106648 [0,0,1,0,0,0|3,0,0]=4 55 B16R1.12750 CCOc1cc(ccc1F)CNC(C)CC 270004a_100000209981_200000106648 [0,0,1,0,0,0|3,0,0]=4 56 B16R1.12750 CCOc1cc(ccc1F)CN[C@H](C)CF 207a_100102880703_200000106648 [0,0,1,0,0,0|3,0,0]=4 57 B16R1.12750 CCOc1cc(ccc1F)CN[C@H](C)CF 270004a_100102880703_200000106648 [0,0,1,0,0,0|3,0,0]=4 58 B16R1.12750 CCOc1cc(ccc1F)CN[C@H](C)CO 207a_100000737577_200000106648 [0,0,1,0,0,0|2,0,0]=3 59 B16R1.12750 CCOc1cc(ccc1F)CN[C@H](C)CO 270004a_100000737577_200000106648 [0,0,1,0,0,0|2,0,0]=3 60 B16R1.12750 CCOc1cc(ccc1F)SC[C@@H](C)CO 62a_100000059175_200012344967 [0,0,1,0,0,0|3,0,0]=4 61 B16R1.12750 CCOc1cc(ccc1F)SC[C@@H](C)CO 62a_200012344967_100000059175 [0,0,1,0,0,0|3,0,0]=4 62 B16R1.12750 CCOc1cc(ccc1N)SC[C@@H](C)CO 62a_100000688918_100000059175 [0,0,1,0,0,0|3,0,0]=4 63 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 240690a_200000751567_100000210174 [0,0,1,0,0,0|2,0,1]=4 64 B16R1.12750 CCOc1cc(ccc1O)CNC(=O)CO 527a_200000751567_100000210174 [0,0,1,0,0,0|2,0,1]=4 65 B16R1.12750 CCOc1cc(ccc1O)CNC(C)CC 34a_200000751567_100011215416 [0,0,1,0,0,0|2,0,0]=3 66 B16R1.12750 CCOc1cc(ccc1O)CNC(C)CO 34a_200000751567_100012180447 [0,0,1,0,0,0|1,0,0]=2 67 B15R1.9230 CCCC(=O)c1ccc(c(c1)OCC)O 1458a_100011260950_100000210303 [1,0,1,0,0,0|0,0,2]=4 68 B15R1.9230 CCNC(C)c1ccc(c(c1)OCC)F 269862a_100015525214_200009852100 [1,0,1,0,0,0|2,0,0]=4 69 B15R1.1193 CCCNCc1ccc(c(c1)OCC)Br 207a_100020643023_200010381951 [1,0,1,0,0,0|2,0,0]=4 70 B15R1.1193 CCCNCc1ccc(c(c1)OCC)Br 270004a_100020643023_200010381951 [1,0,1,0,0,0|2,0,0]=4 71 B15R1.1193 CCCNCc1ccc(c(c1)OCC)F 207a_100020643023_200000106648 [1,0,1,0,0,0|2,0,0]=4 72 B15R1.1193 CCCNCc1ccc(c(c1)OCC)F 270004a_100020643023_200000106648 [1,0,1,0,0,0|2,0,0]=4 73 B15R1.1193 CCCNCc1ccc(c(c1)OCC)O 34a_200000751567_100000210303 [1,0,1,0,0,0|1,0,0]=3 74 B15R1.1193 CCOc1cc(ccc1Br)CNCCO 207a_100000210304_200010381951 [1,0,1,0,0,0|2,0,0]=4 75 B15R1.1193 CCOc1cc(ccc1Br)CNCCO 270004a_100000210304_200010381951 [1,0,1,0,0,0|2,0,0]=4 76 B15R1.1193 CCOc1cc(ccc1F)CNCCO 207a_100000210304_200000106648 [1,0,1,0,0,0|2,0,0]=4 77 B15R1.1193 CCOc1cc(ccc1F)CNCCO 270004a_100000210304_200000106648 [1,0,1,0,0,0|2,0,0]=4 78 B15R1.1193 CCOc1cc(ccc1O)CNCCF 34a_200000751567_100011217306 [1,0,1,0,0,0|2,0,0]=4 79 B15R1.1193 CCOc1cc(ccc1O)CNCCO 34a_200000751567_100000211926 [1,0,1,0,0,0|1,0,0]=3 80 B15R1.1193 CCOc1cc(ccc1O)CNCSC 34a_200000751567_100011218213 [1,0,1,0,0,0|2,0,0]=4 81 B15R1.1231 CCCNC(C)c1cccc(c1)OCC 2230a_100000745394_100000210303 [1,0,1,0,0,0|2,0,0]=4 82 B15R1.1231 CCCNC(C)c1cccc(c1)OCC 269862a_100020643023_100000171657 [1,0,1,0,0,0|2,0,0]=4 83 B15R1.1231 CCNCC(O)c1cccc(c1)OCC 34a_100000737735_100000210202 [1,0,1,0,0,0|2,0,0]=4 84 B15R1.568 C=C(C)COCc1cccc(c1)OCC 34a_200011232711_100000748629 [1,0,1,0,0,0|1,0,1]=4 85 B15R1.568 C=C(C)COCc1cccc(c1)OCC 7a_200011232711_100000748629 [1,0,1,0,0,0|1,0,1]=4 86 B15R1.568 CCOc1cc(ccn1)CNCC(C)O 2230a_100160572661_100011218427 [1,0,1,0,0,0|2,0,0]=4 87 B15R1.568 CCOc1cc(ccn1)CNC[C@@H](C)O 2230a_100160572661_100009817552 [1,0,1,0,0,0|2,0,0]=4 88 B15R1.568 CCOc1cccc(c1)CNCC(C)C 207a_100000210953_100000170239 [1,0,1,0,0,0|2,0,0]=4 89 B15R1.568 CCOc1cccc(c1)CNCC(C)C 2230a_106359896916_100000210760 [1,0,1,0,0,0|2,0,0]=4 90 B15R1.568 CCOc1cccc(c1)CNCC(C)C 270004a_100000210953_100000170239 [1,0,1,0,0,0|2,0,0]=4 91 B15R1.568 CCOc1cccc(c1)CNCC(C)C 270004a_106359896916_100000210432 [1,0,1,0,0,0|2,0,0]=4 92 B15R1.568 CCOc1cccc(c1)CNCC(C)C 34a_106359896916_100000210624 [1,0,1,0,0,0|2,0,0]=4 93 B15R1.568 CCOc1cccc(c1)CNCC(C)O 207a_100000210904_100000170239 [1,0,1,0,0,0|1,0,0]=3 94 B15R1.568 CCOc1cccc(c1)CNCC(C)O 2230a_106359896916_100011218427 [1,0,1,0,0,0|1,0,0]=3 95 B15R1.568 CCOc1cccc(c1)CNCC(C)O 270004a_100000210904_100000170239 [1,0,1,0,0,0|1,0,0]=3 96 B15R1.568 CCOc1cccc(c1)CNCC(C)O 34a_106359896916_100011218427 [1,0,1,0,0,0|1,0,0]=3 97 B15R1.568 CCOc1cccc(c1)CNC[C@@H](C)O 2230a_106359896916_100009817552 [1,0,1,0,0,0|1,0,0]=3 98 B15R1.568 CCOc1cccc(c1)CNC[C@@H](C)O 34a_106359896916_100009817552 [1,0,1,0,0,0|1,0,0]=3 99 B15R1.568 CCOc1cccc(c1)COCC(C)C 34a_200011232711_100000210624 [1,0,1,0,0,0|1,0,0]=3 100 B15R1.568 CCOc1cccc(c1)COCC(C)C 7a_200011232711_100000210760 [1,0,1,0,0,0|1,0,0]=3 101 B15R1.568 CCOc1cccc(c1)COCC(C)O 34a_200011232711_100011218427 [1,0,1,0,0,0|0,0,0]=2 102 B15R1.568 CCOc1cccc(c1)COCC(C)O 7a_200011232711_100011218427 [1,0,1,0,0,0|0,0,0]=2 103 B15R1.568 CCOc1cccc(c1)COCC(F)F 34a_200011232711_100011934356 [1,0,1,0,0,0|2,0,0]=4 104 B15R1.568 CCOc1cccc(c1)COCC(F)F 7a_200011232711_100011934356 [1,0,1,0,0,0|2,0,0]=4 105 B15R1.568 CCOc1cccc(c1)COC[C@@H](C)O 34a_200011232711_100009817552 [1,0,1,0,0,0|0,0,0]=2 106 B15R1.568 CCOc1cccc(c1)COC[C@@H](C)O 7a_200011232711_100009817552 [1,0,1,0,0,0|0,0,0]=2 107 B15R1.568 CCOc1cccc(c1)NCCC(C)O 2230a_100000742568_100012276601 [1,0,1,0,0,0|2,0,0]=4 108 B15R1.568 CCOc1cccc(c1)NCCC(C)O 34a_100000742568_100012276601 [1,0,1,0,0,0|2,0,0]=4 109 B15R1.568 CCOc1cccc(c1)OCCC(C)O 34a_100011215941_100012276601 [1,0,1,0,0,0|2,0,0]=4 110 B15R1.568 CCOc1cccc(c1)OCCC(C)O 7a_100011215941_100012276601 [1,0,1,0,0,0|2,0,0]=4 111 B15R1.568 CCOc1cccc(c1)SCCC(C)O 62a_100012276601_100000170002 [1,0,1,0,0,0|2,0,0]=4 112 B15R1.4030 CCc1cc(ccc1F)CNCC(C)O 207a_100000210904_100009840867 [1,0,1,0,0,0|2,0,0]=4 113 B15R1.4030 CCc1cc(ccc1F)CNCC(C)O 2230a_114873767189_100011218427 [1,0,1,0,0,0|2,0,0]=4 114 B15R1.4030 CCc1cc(ccc1F)CNCC(C)O 269862a_100000210904_100009840867 [1,0,1,0,0,0|2,0,0]=4 115 B15R1.4030 CCc1cc(ccc1F)CNCC(C)O 270004a_100000210904_100009840867 [1,0,1,0,0,0|2,0,0]=4 116 B15R1.4030 CCc1cc(ccc1F)CNCC(C)O 34a_114873767189_100011218427 [1,0,1,0,0,0|2,0,0]=4 117 B15R1.4030 CCc1cc(ccc1F)CNC[C@@H](C)O 2230a_114873767189_100009817552 [1,0,1,0,0,0|2,0,0]=4 118 B15R1.4030 CCc1cc(ccc1F)CNC[C@@H](C)O 34a_114873767189_100009817552 [1,0,1,0,0,0|2,0,0]=4 119 B15R1.4030 CCc1cc(ccc1O)SCCC(C)O 62a_100012276601_100012338938 [1,0,1,0,0,0|2,0,0]=4 120 B15R1.4030 COc1cc(ccc1Br)CNCC(C)O 207a_100000210904_100010244714 [1,0,1,0,0,0|2,0,0]=4 121 B15R1.4030 COc1cc(ccc1Br)CNCC(C)O 2230a_100000210904_100010110085 [1,0,1,0,0,0|2,0,0]=4 122 B15R1.4030 COc1cc(ccc1Br)CNCC(C)O 270004a_100000210904_100010244714 [1,0,1,0,0,0|2,0,0]=4 123 B15R1.4030 COc1cc(ccc1Br)CNCC(C)O 34a_100000210904_100010110085 [1,0,1,0,0,0|2,0,0]=4 124 B15R1.4030 COc1cc(ccc1Br)COCC(C)Br 34a_100012180447_100010110085 [1,0,1,0,0,0|2,0,0]=4 125 B15R1.4030 COc1cc(ccc1Br)COCC(C)C 34a_100000210257_100010110085 [1,0,1,0,0,0|2,0,0]=4 126 B15R1.4030 COc1cc(ccc1Br)COCC(C)C 34a_100010234685_100000210624 [1,0,1,0,0,0|2,0,0]=4 127 B15R1.4030 COc1cc(ccc1Br)COCC(C)C 7a_100010234685_100000210760 [1,0,1,0,0,0|2,0,0]=4 128 B15R1.4030 COc1cc(ccc1Br)COCC(C)F 34a_100015925927_100010110085 [1,0,1,0,0,0|2,0,0]=4 129 B15R1.4030 COc1cc(ccc1Br)COCC(C)O 34a_100010234685_100011218427 [1,0,1,0,0,0|1,0,0]=3 130 B15R1.4030 COc1cc(ccc1Br)COCC(C)O 7a_100010234685_100011218427 [1,0,1,0,0,0|1,0,0]=3 131 B15R1.4030 COc1cc(ccc1Br)COC[C@@H](C)Cl 34a_100016084084_100010110085 [1,0,1,0,0,0|2,0,0]=4 132 B15R1.4030 COc1cc(ccc1Br)COC[C@@H](C)N 34a_100000737577_100010110085 [1,0,1,0,0,0|2,0,0]=4 133 B15R1.4030 COc1cc(ccc1Br)COC[C@@H](C)O 34a_100010234685_100009817552 [1,0,1,0,0,0|1,0,0]=3 134 B15R1.4030 COc1cc(ccc1Br)COC[C@@H](C)O 7a_100010234685_100009817552 [1,0,1,0,0,0|1,0,0]=3 135 B15R1.4030 COc1cc(ccc1Br)CSCC(C)O 62a_100010110085_100011218427 [1,0,1,0,0,0|1,1,0]=4 136 B15R1.4030 COc1cc(ccc1Br)CSCC(C)O 62a_100011218427_100010110085 [1,0,1,0,0,0|1,1,0]=4 137 B15R1.4030 COc1cc(ccc1Br)CSC[C@@H](C)O 62a_100009817552_100010110085 [1,0,1,0,0,0|1,1,0]=4 138 B15R1.4030 COc1cc(ccc1Br)CSC[C@@H](C)O 62a_100010110085_100009817552 [1,0,1,0,0,0|1,1,0]=4 139 B15R1.4030 COc1cc(ccc1C)CNCC(C)O 207a_100000210904_100000719150 [1,0,1,0,0,0|2,0,0]=4 140 B15R1.4030 COc1cc(ccc1C)CNCC(C)O 270004a_100000210904_100000719150 [1,0,1,0,0,0|2,0,0]=4 141 B15R1.4030 COc1cc(ccc1C)COCC(C)C 34a_100000752651_100000210624 [1,0,1,0,0,0|2,0,0]=4 142 B15R1.4030 COc1cc(ccc1C)COCC(C)C 7a_100000752651_100000210760 [1,0,1,0,0,0|2,0,0]=4 143 B15R1.4030 COc1cc(ccc1C)COCC(C)O 34a_100000752651_100011218427 [1,0,1,0,0,0|1,0,0]=3 144 B15R1.4030 COc1cc(ccc1C)COCC(C)O 7a_100000752651_100011218427 [1,0,1,0,0,0|1,0,0]=3 145 B15R1.4030 COc1cc(ccc1C)COC[C@@H](C)O 34a_100000752651_100009817552 [1,0,1,0,0,0|1,0,0]=3 146 B15R1.4030 COc1cc(ccc1C)COC[C@@H](C)O 7a_100000752651_100009817552 [1,0,1,0,0,0|1,0,0]=3 147 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 207a_100000210904_100011998524 [1,0,1,0,0,0|2,0,0]=4 148 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 2230a_100000210904_200010214485 [1,0,1,0,0,0|2,0,0]=4 149 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 2230a_100015204853_100011218427 [1,0,1,0,0,0|2,0,0]=4 150 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 270004a_100000210904_100011998524 [1,0,1,0,0,0|2,0,0]=4 151 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 34a_100000210904_200010214485 [1,0,1,0,0,0|2,0,0]=4 152 B15R1.4030 COc1cc(ccc1Cl)CNCC(C)O 34a_100015204853_100011218427 [1,0,1,0,0,0|2,0,0]=4 153 B15R1.4030 COc1cc(ccc1Cl)CNC[C@@H](C)O 2230a_100015204853_100009817552 [1,0,1,0,0,0|2,0,0]=4 154 B15R1.4030 COc1cc(ccc1Cl)CNC[C@@H](C)O 34a_100015204853_100009817552 [1,0,1,0,0,0|2,0,0]=4 155 B15R1.4030 COc1cc(ccc1Cl)COCC(C)Br 34a_100012180447_200010214485 [1,0,1,0,0,0|2,0,0]=4 156 B15R1.4030 COc1cc(ccc1Cl)COCC(C)C 34a_100000210257_200010214485 [1,0,1,0,0,0|2,0,0]=4 157 B15R1.4030 COc1cc(ccc1Cl)COCC(C)C 34a_100012179228_100000210624 [1,0,1,0,0,0|2,0,0]=4 158 B15R1.4030 COc1cc(ccc1Cl)COCC(C)F 34a_100015925927_200010214485 [1,0,1,0,0,0|2,0,0]=4 159 B15R1.4030 COc1cc(ccc1Cl)COCC(C)O 34a_100012179228_100011218427 [1,0,1,0,0,0|1,0,0]=3 160 B15R1.4030 COc1cc(ccc1Cl)COC[C@@H](C)Cl 34a_100016084084_200010214485 [1,0,1,0,0,0|2,0,0]=4 161 B15R1.4030 COc1cc(ccc1Cl)COC[C@@H](C)N 34a_100000737577_200010214485 [1,0,1,0,0,0|2,0,0]=4 162 B15R1.4030 COc1cc(ccc1Cl)COC[C@@H](C)O 34a_100012179228_100009817552 [1,0,1,0,0,0|1,0,0]=3 163 B15R1.4030 COc1cc(ccc1Cl)CSCC(C)O 62a_100011218427_200010214485 [1,0,1,0,0,0|1,1,0]=4 164 B15R1.4030 COc1cc(ccc1Cl)CSCC(C)O 62a_200010214485_100011218427 [1,0,1,0,0,0|1,1,0]=4 165 B15R1.4030 COc1cc(ccc1Cl)CSC[C@@H](C)O 62a_100009817552_200010214485 [1,0,1,0,0,0|1,1,0]=4 166 B15R1.4030 COc1cc(ccc1Cl)CSC[C@@H](C)O 62a_200010214485_100009817552 [1,0,1,0,0,0|1,1,0]=4 167 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 207a_100000210904_100000692873 [1,0,1,0,0,0|2,0,0]=4 168 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 2230a_100000210904_100012349856 [1,0,1,0,0,0|2,0,0]=4 169 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 2230a_100020626639_100011218427 [1,0,1,0,0,0|2,0,0]=4 170 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 270004a_100000210904_100000692873 [1,0,1,0,0,0|2,0,0]=4 171 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 34a_100000210904_100012349856 [1,0,1,0,0,0|2,0,0]=4 172 B15R1.4030 COc1cc(ccc1F)CNCC(C)O 34a_100020626639_100011218427 [1,0,1,0,0,0|2,0,0]=4 173 B15R1.4030 COc1cc(ccc1F)CNC[C@@H](C)O 2230a_100020626639_100009817552 [1,0,1,0,0,0|2,0,0]=4 174 B15R1.4030 COc1cc(ccc1F)CNC[C@@H](C)O 34a_100020626639_100009817552 [1,0,1,0,0,0|2,0,0]=4 175 B15R1.4030 COc1cc(ccc1F)COCC(C)Br 34a_100012180447_100012349856 [1,0,1,0,0,0|2,0,0]=4 176 B15R1.4030 COc1cc(ccc1F)COCC(C)C 34a_100000210257_100012349856 [1,0,1,0,0,0|2,0,0]=4 177 B15R1.4030 COc1cc(ccc1F)COCC(C)C 34a_100000692429_100000210624 [1,0,1,0,0,0|2,0,0]=4 178 B15R1.4030 COc1cc(ccc1F)COCC(C)C 7a_100000692429_100000210760 [1,0,1,0,0,0|2,0,0]=4 179 B15R1.4030 COc1cc(ccc1F)COCC(C)F 34a_100015925927_100012349856 [1,0,1,0,0,0|2,0,0]=4 180 B15R1.4030 COc1cc(ccc1F)COCC(C)O 34a_100000692429_100011218427 [1,0,1,0,0,0|1,0,0]=3 181 B15R1.4030 COc1cc(ccc1F)COCC(C)O 7a_100000692429_100011218427 [1,0,1,0,0,0|1,0,0]=3 182 B15R1.4030 COc1cc(ccc1F)COC[C@@H](C)Cl 34a_100016084084_100012349856 [1,0,1,0,0,0|2,0,0]=4 183 B15R1.4030 COc1cc(ccc1F)COC[C@@H](C)N 34a_100000737577_100012349856 [1,0,1,0,0,0|2,0,0]=4 184 B15R1.4030 COc1cc(ccc1F)COC[C@@H](C)O 34a_100000692429_100009817552 [1,0,1,0,0,0|1,0,0]=3 185 B15R1.4030 COc1cc(ccc1F)COC[C@@H](C)O 7a_100000692429_100009817552 [1,0,1,0,0,0|1,0,0]=3 186 B15R1.4030 COc1cc(ccc1F)CSCC(C)O 62a_100011218427_100012349856 [1,0,1,0,0,0|1,1,0]=4 187 B15R1.4030 COc1cc(ccc1F)CSCC(C)O 62a_100012349856_100011218427 [1,0,1,0,0,0|1,1,0]=4 188 B15R1.4030 COc1cc(ccc1F)CSC[C@@H](C)O 62a_100009817552_100012349856 [1,0,1,0,0,0|1,1,0]=4 189 B15R1.4030 COc1cc(ccc1F)CSC[C@@H](C)O 62a_100012349856_100009817552 [1,0,1,0,0,0|1,1,0]=4 190 B15R1.4030 COc1cc(ccc1N)COCC(C)C 34a_100000087641_100000210624 [1,0,1,0,0,0|2,0,0]=4 191 B15R1.4030 COc1cc(ccc1N)COCC(C)O 34a_100000087641_100011218427 [1,0,1,0,0,0|1,0,0]=3 192 B15R1.4030 COc1cc(ccc1N)COC[C@@H](C)O 34a_100000087641_100009817552 [1,0,1,0,0,0|1,0,0]=3 193 B15R1.4030 COc1cc(ccc1O)CNCC(C)C 34a_100000185554_100000210624 [1,0,1,0,0,0|2,0,0]=4 194 B15R1.4030 COc1cc(ccc1O)CNCC(C)O 34a_100000185554_100011218427 [1,0,1,0,0,0|1,0,0]=3 195 B15R1.4030 COc1cc(ccc1O)CNC[C@@H](C)O 34a_100000185554_100009817552 [1,0,1,0,0,0|1,0,0]=3 196 B15R1.4030 COc1cc(ccc1O)NCCC(C)O 34a_100000726020_100012276601 [1,0,1,0,0,0|2,0,0]=4 197 B15R1.4030 COc1cc(ccc1O)SCCC(C)O 62a_100012276601_100000694246 [1,0,1,0,0,0|2,0,0]=4 198 B15R1.4030 COc1cc(ncc1Br)COCC(C)O 34a_100010999569_100011218427 [1,0,1,0,0,0|2,0,0]=4 199 B15R1.4030 COc1cc(ncc1Br)COC[C@@H](C)O 34a_100010999569_100009817552 [1,0,1,0,0,0|2,0,0]=4 200 B15R1.531 CCOc1cc(ccc1Br)CNC(C)C 207a_100138425928_200010381951 [1,0,1,0,0,0|2,0,0]=4 201 B15R1.531 CCOc1cc(ccc1F)CNC(C)C 207a_100138425928_200000106648 [1,0,1,0,0,0|2,0,0]=4 202 B15R1.531 CCOc1cc(ccc1O)CNC(C)C 34a_200000751567_100000210206 [1,0,1,0,0,0|1,0,0]=3 203 B15R1.566 CCOc1cccc(c1)C(C)NC(C)C 2230a_100000745394_100000210206 [1,0,1,0,0,0|2,0,0]=4 204 B15R1.566 CCOc1cccc(c1)[C@@H](N)CC(C)C 271570a_100015190218_100000170002 [1,0,1,0,0,0|2,0,0]=4 205 B15R1.4037 CCc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100012338938 [1,0,1,0,0,0|2,0,0]=4 206 B15R1.4037 COc1cc(ccc1O)[C@@H](N)CC(C)C 271570a_100015190218_100000694246 [1,0,1,0,0,0|2,0,0]=4 207 B15R1.569 C#CC(C)OCc1cccc(c1)OCC 34a_200011232711_200000035995 [1,0,1,0,0,0|1,0,1]=4 208 B15R1.569 CCOc1cc(ccn1)CNC(C)CO 2230a_100160572661_100012180447 [1,0,1,0,0,0|2,0,0]=4 209 B15R1.569 CCOc1cccc(c1)CNC(C)CC 207a_100000209981_100000170239 [1,0,1,0,0,0|2,0,0]=4 210 B15R1.569 CCOc1cccc(c1)CNC(C)CC 2230a_106359896916_100000758301 [1,0,1,0,0,0|2,0,0]=4 211 B15R1.569 CCOc1cccc(c1)CNC(C)CC 270004a_100000209981_100000170239 [1,0,1,0,0,0|2,0,0]=4 212 B15R1.569 CCOc1cccc(c1)CNC(C)CC 34a_106359896916_100011215416 [1,0,1,0,0,0|2,0,0]=4 213 B15R1.569 CCOc1cccc(c1)CNC(C)CO 2230a_106359896916_100012180447 [1,0,1,0,0,0|1,0,0]=3 214 B15R1.569 CCOc1cccc(c1)CNC(C)CO 34a_106359896916_100012180447 [1,0,1,0,0,0|1,0,0]=3 215 B15R1.569 CCOc1cccc(c1)CN[C@H](C)CF 207a_100102880703_100000170239 [1,0,1,0,0,0|2,0,0]=4 216 B15R1.569 CCOc1cccc(c1)CN[C@H](C)CF 270004a_100102880703_100000170239 [1,0,1,0,0,0|2,0,0]=4 217 B15R1.569 CCOc1cccc(c1)CN[C@H](C)CO 207a_100000737577_100000170239 [1,0,1,0,0,0|1,0,0]=3 218 B15R1.569 CCOc1cccc(c1)CN[C@H](C)CO 270004a_100000737577_100000170239 [1,0,1,0,0,0|1,0,0]=3 219 B15R1.569 CCOc1cccc(c1)COC(C)C#N 7a_200011232711_100000703298 [1,0,1,0,0,0|1,0,1]=4 220 B15R1.569 CCOc1cccc(c1)COC(C)CC 34a_200011232711_100011215416 [1,0,1,0,0,0|1,0,0]=3 221 B15R1.569 CCOc1cccc(c1)COC(C)CC 7a_200011232711_100000758301 [1,0,1,0,0,0|1,0,0]=3 222 B15R1.569 CCOc1cccc(c1)COC(C)CO 34a_200011232711_100012180447 [1,0,1,0,0,0|0,0,0]=2 223 B15R1.569 CCOc1cccc(c1)COC(C)CO 7a_200011232711_100012180447 [1,0,1,0,0,0|0,0,0]=2 224 B15R1.569 CCOc1cccc(c1)NC[C@@H](C)CO 2230a_100000742568_100000059175 [1,0,1,0,0,0|2,0,0]=4 225 B15R1.569 CCOc1cccc(c1)NC[C@@H](C)CO 34a_100000742568_100000059175 [1,0,1,0,0,0|2,0,0]=4 226 B15R1.569 CCOc1cccc(c1)OC[C@@H](C)CO 34a_100011215941_100000059175 [1,0,1,0,0,0|2,0,0]=4 227 B15R1.569 CCOc1cccc(c1)OC[C@@H](C)CO 7a_100011215941_100000059175 [1,0,1,0,0,0|2,0,0]=4 228 B15R1.569 CCOc1cccc(c1)SC[C@@H](C)CO 62a_100000059175_100000170002 [1,0,1,0,0,0|2,0,0]=4 229 B15R1.4039 CCC(C)NCc1ccc(c(c1)OC)O 34a_100000185554_100011215416 [1,0,1,0,0,0|2,0,0]=4 230 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)Br 34a_100010234685_100011215416 [1,0,1,0,0,0|2,0,0]=4 231 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)Br 7a_100000210228_100010110085 [1,0,1,0,0,0|2,0,0]=4 232 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)Br 7a_100010234685_100000758301 [1,0,1,0,0,0|2,0,0]=4 233 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)C 34a_100000752651_100011215416 [1,0,1,0,0,0|2,0,0]=4 234 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)C 7a_100000752651_100000758301 [1,0,1,0,0,0|2,0,0]=4 235 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)Cl 34a_100012179228_100011215416 [1,0,1,0,0,0|2,0,0]=4 236 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)Cl 7a_100000210228_200010214485 [1,0,1,0,0,0|2,0,0]=4 237 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)F 34a_100000692429_100011215416 [1,0,1,0,0,0|2,0,0]=4 238 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)F 7a_100000210228_100012349856 [1,0,1,0,0,0|2,0,0]=4 239 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)F 7a_100000692429_100000758301 [1,0,1,0,0,0|2,0,0]=4 240 B15R1.4039 CCC(C)OCc1ccc(c(c1)OC)N 34a_100000087641_100011215416 [1,0,1,0,0,0|2,0,0]=4 241 B15R1.4039 CCc1cc(ccc1F)CNC(C)CO 2230a_114873767189_100012180447 [1,0,1,0,0,0|2,0,0]=4 242 B15R1.4039 CCc1cc(ccc1F)CNC(C)CO 34a_114873767189_100012180447 [1,0,1,0,0,0|2,0,0]=4 243 B15R1.4039 CCc1cc(ccc1F)CN[C@H](C)CO 207a_100000737577_100009840867 [1,0,1,0,0,0|2,0,0]=4 244 B15R1.4039 CCc1cc(ccc1F)CN[C@H](C)CO 269862a_100000737577_100009840867 [1,0,1,0,0,0|2,0,0]=4 245 B15R1.4039 CCc1cc(ccc1F)CN[C@H](C)CO 270004a_100000737577_100009840867 [1,0,1,0,0,0|2,0,0]=4 246 B15R1.4039 CCc1cc(ccc1O)SC[C@@H](C)CO 62a_100000059175_100012338938 [1,0,1,0,0,0|2,0,0]=4 247 B15R1.4039 COc1cc(ccc1Br)CN[C@H](C)CO 207a_100000737577_100010244714 [1,0,1,0,0,0|2,0,0]=4 248 B15R1.4039 COc1cc(ccc1Br)CN[C@H](C)CO 2230a_100000737577_100010110085 [1,0,1,0,0,0|2,0,0]=4 249 B15R1.4039 COc1cc(ccc1Br)CN[C@H](C)CO 270004a_100000737577_100010244714 [1,0,1,0,0,0|2,0,0]=4 250 B15R1.4039 COc1cc(ccc1Br)COC(C)CF 34a_100016041109_100010110085 [1,0,1,0,0,0|2,0,0]=4 251 B15R1.4039 COc1cc(ccc1Br)COC(C)CF 7a_100016041109_100010110085 [1,0,1,0,0,0|2,0,0]=4 252 B15R1.4039 COc1cc(ccc1Br)COC(C)CN 34a_100000210904_100010110085 [1,0,1,0,0,0|2,0,0]=4 253 B15R1.4039 COc1cc(ccc1Br)COC(C)CO 34a_100010234685_100012180447 [1,0,1,0,0,0|1,0,0]=3 254 B15R1.4039 COc1cc(ccc1Br)COC(C)CO 7a_100010234685_100012180447 [1,0,1,0,0,0|1,0,0]=3 255 B15R1.4039 COc1cc(ccc1Br)CSC(C)CO 62a_100012180447_100010110085 [1,0,1,0,0,0|1,1,0]=4 256 B15R1.4039 COc1cc(ccc1Br)CS[C@H](C)CO 62a_100010110085_100016084084 [1,0,1,0,0,0|1,1,0]=4 257 B15R1.4039 COc1cc(ccc1Br)CS[C@H](C)CO 62a_100016084084_100010110085 [1,0,1,0,0,0|1,1,0]=4 258 B15R1.4039 COc1cc(ccc1C)CN[C@H](C)CO 207a_100000737577_100000719150 [1,0,1,0,0,0|2,0,0]=4 259 B15R1.4039 COc1cc(ccc1C)CN[C@H](C)CO 270004a_100000737577_100000719150 [1,0,1,0,0,0|2,0,0]=4 260 B15R1.4039 COc1cc(ccc1C)COC(C)CO 34a_100000752651_100012180447 [1,0,1,0,0,0|1,0,0]=3 261 B15R1.4039 COc1cc(ccc1C)COC(C)CO 7a_100000752651_100012180447 [1,0,1,0,0,0|1,0,0]=3 262 B15R1.4039 COc1cc(ccc1Cl)CNC(C)CO 2230a_100015204853_100012180447 [1,0,1,0,0,0|2,0,0]=4 263 B15R1.4039 COc1cc(ccc1Cl)CNC(C)CO 34a_100015204853_100012180447 [1,0,1,0,0,0|2,0,0]=4 264 B15R1.4039 COc1cc(ccc1Cl)CN[C@H](C)CO 207a_100000737577_100011998524 [1,0,1,0,0,0|2,0,0]=4 265 B15R1.4039 COc1cc(ccc1Cl)CN[C@H](C)CO 2230a_100000737577_200010214485 [1,0,1,0,0,0|2,0,0]=4 266 B15R1.4039 COc1cc(ccc1Cl)CN[C@H](C)CO 270004a_100000737577_100011998524 [1,0,1,0,0,0|2,0,0]=4 267 B15R1.4039 COc1cc(ccc1Cl)COC(C)CF 34a_100016041109_200010214485 [1,0,1,0,0,0|2,0,0]=4 268 B15R1.4039 COc1cc(ccc1Cl)COC(C)CF 7a_100016041109_200010214485 [1,0,1,0,0,0|2,0,0]=4 269 B15R1.4039 COc1cc(ccc1Cl)COC(C)CN 34a_100000210904_200010214485 [1,0,1,0,0,0|2,0,0]=4 270 B15R1.4039 COc1cc(ccc1Cl)COC(C)CO 34a_100012179228_100012180447 [1,0,1,0,0,0|1,0,0]=3 271 B15R1.4039 COc1cc(ccc1Cl)CSC(C)CO 62a_100012180447_200010214485 [1,0,1,0,0,0|1,1,0]=4 272 B15R1.4039 COc1cc(ccc1Cl)CS[C@H](C)CO 62a_100016084084_200010214485 [1,0,1,0,0,0|1,1,0]=4 273 B15R1.4039 COc1cc(ccc1Cl)CS[C@H](C)CO 62a_200010214485_100016084084 [1,0,1,0,0,0|1,1,0]=4 274 B15R1.4039 COc1cc(ccc1F)CNC(C)CO 2230a_100020626639_100012180447 [1,0,1,0,0,0|2,0,0]=4 275 B15R1.4039 COc1cc(ccc1F)CNC(C)CO 34a_100020626639_100012180447 [1,0,1,0,0,0|2,0,0]=4 276 B15R1.4039 COc1cc(ccc1F)CN[C@H](C)CO 207a_100000737577_100000692873 [1,0,1,0,0,0|2,0,0]=4 277 B15R1.4039 COc1cc(ccc1F)CN[C@H](C)CO 2230a_100000737577_100012349856 [1,0,1,0,0,0|2,0,0]=4 278 B15R1.4039 COc1cc(ccc1F)CN[C@H](C)CO 270004a_100000737577_100000692873 [1,0,1,0,0,0|2,0,0]=4 279 B15R1.4039 COc1cc(ccc1F)COC(C)CF 34a_100016041109_100012349856 [1,0,1,0,0,0|2,0,0]=4 280 B15R1.4039 COc1cc(ccc1F)COC(C)CF 7a_100016041109_100012349856 [1,0,1,0,0,0|2,0,0]=4 281 B15R1.4039 COc1cc(ccc1F)COC(C)CN 34a_100000210904_100012349856 [1,0,1,0,0,0|2,0,0]=4 282 B15R1.4039 COc1cc(ccc1F)COC(C)CO 34a_100000692429_100012180447 [1,0,1,0,0,0|1,0,0]=3 283 B15R1.4039 COc1cc(ccc1F)COC(C)CO 7a_100000692429_100012180447 [1,0,1,0,0,0|1,0,0]=3 284 B15R1.4039 COc1cc(ccc1F)CSC(C)CO 62a_100012180447_100012349856 [1,0,1,0,0,0|1,1,0]=4 285 B15R1.4039 COc1cc(ccc1F)CS[C@H](C)CO 62a_100012349856_100016084084 [1,0,1,0,0,0|1,1,0]=4 286 B15R1.4039 COc1cc(ccc1F)CS[C@H](C)CO 62a_100016084084_100012349856 [1,0,1,0,0,0|1,1,0]=4 287 B15R1.4039 COc1cc(ccc1N)COC(C)CO 34a_100000087641_100012180447 [1,0,1,0,0,0|1,0,0]=3 288 B15R1.4039 COc1cc(ccc1O)CNC(C)CO 34a_100000185554_100012180447 [1,0,1,0,0,0|1,0,0]=3 289 B15R1.4039 COc1cc(ccc1O)NC[C@@H](C)CO 34a_100000726020_100000059175 [1,0,1,0,0,0|2,0,0]=4 290 B15R1.4039 COc1cc(ccc1O)SC[C@@H](C)CO 62a_100000059175_100000694246 [1,0,1,0,0,0|2,0,0]=4 291 B15R1.4039 COc1cc(ncc1Br)COC(C)CO 34a_100010999569_100012180447 [1,0,1,0,0,0|2,0,0]=4 292 B15R2.68 CC=Cc1cccc(c1)C2OCCO2 271570a_100016259895_100009813323 [2,0,0,0,0,0|1,0,1]=4 293 B15R2.68 CCNc1cccc(c1)C2OCCO2 2230a_100000044746_100000210202 [2,0,0,0,0,0|1,0,0]=3 294 B15R2.68 CCNc1cccc(c1)C2OCCO2 34a_100000044746_100000210202 [2,0,0,0,0,0|1,0,0]=3 295 B15R2.68 CCNc1cccc(c1)C2OCCO2 7a_100000044746_100000210202 [2,0,0,0,0,0|1,0,0]=3 296 B15R2.68 CCNc1ccnc(c1)C2OCCO2 27a_100015525214_100010879467 [2,0,0,0,0,0|2,0,0]=4 297 B15R2.68 CCSc1cccc(c1)C2OCCO2 62a_100000210202_100009813323 [2,0,0,0,0,0|0,1,0]=3 298 B15R2.68 CCSc1ccnc(c1)C2OCCO2 62a_100000210202_100010879467 [2,0,0,0,0,0|1,1,0]=4 299 B15R2.68 CCSc1cncc(c1)C2OCCO2 62a_100000210202_100010134100 [2,0,0,0,0,0|1,1,0]=4 300 B15R2.68 FCNc1cccc(c1)C2OCCO2 34a_100000044746_100015361967 [2,0,0,0,0,0|2,0,0]=4 301 B15R2.68 FCNc1cccc(c1)C2OCCO2 7a_100000044746_100015361967 [2,0,0,0,0,0|2,0,0]=4 302 B15R2.68 FCSc1cccc(c1)C2OCCO2 62a_100015361967_100009813323 [2,0,0,0,0,0|1,1,0]=4 303 B15R2.2234 CSc1cc(ccc1F)C2OCCO2 62a_200000210301_100010165081 [2,0,0,0,0,0|1,1,0]=4 304 B15R2.2234 [13CH3]Sc1cc(ccc1F)C2OCCO2 62a_200025704644_100010165081 [2,0,0,0,0,0|1,1,0]=4 305 B17R1.30440 CCCNC(C)c1ccc(c(c1)OCC)OC 269862a_100020643023_100012180953 [0,1,1,0,0,0|2,0,0]=4 306 B17R1.16953 C=CC(O)CNCc1ccc(c(c1)OCC)O 34a_200000751567_100000730141 [0,1,1,0,0,0|1,0,1]=4 307 B17R1.16953 CCOc1cc(ccc1Br)CNCC(C)CO 207a_100000744482_200010381951 [0,1,1,0,0,0|2,0,0]=4 308 B17R1.16953 CCOc1cc(ccc1Br)CNCC(O)CC 207a_100011218483_200010381951 [0,1,1,0,0,0|2,0,0]=4 309 B17R1.16953 CCOc1cc(ccc1Br)CNCC(O)CC 270004a_100011218483_200010381951 [0,1,1,0,0,0|2,0,0]=4 310 B17R1.16953 CCOc1cc(ccc1Br)CNC[C@@H](C)OC 207a_100020591295_200010381951 [0,1,1,0,0,0|2,0,0]=4 311 B17R1.16953 CCOc1cc(ccc1Br)CNC[C@@H](C)OC 270004a_100020591295_200010381951 [0,1,1,0,0,0|2,0,0]=4 312 B17R1.16953 CCOc1cc(ccc1Br)CNC[C@H](O)CO 207a_100020644852_200010381951 [0,1,1,0,0,0|2,0,0]=4 313 B17R1.16953 CCOc1cc(ccc1F)CNCC(C)CO 207a_100000744482_200000106648 [0,1,1,0,0,0|2,0,0]=4 314 B17R1.16953 CCOc1cc(ccc1F)CNCC(O)CC 207a_100011218483_200000106648 [0,1,1,0,0,0|2,0,0]=4 315 B17R1.16953 CCOc1cc(ccc1F)CNCC(O)CC 270004a_100011218483_200000106648 [0,1,1,0,0,0|2,0,0]=4 316 B17R1.16953 CCOc1cc(ccc1F)CNC[C@@H](C)OC 207a_100020591295_200000106648 [0,1,1,0,0,0|2,0,0]=4 317 B17R1.16953 CCOc1cc(ccc1F)CNC[C@@H](C)OC 270004a_100020591295_200000106648 [0,1,1,0,0,0|2,0,0]=4 318 B17R1.16953 CCOc1cc(ccc1F)CNC[C@H](O)CO 207a_100020644852_200000106648 [0,1,1,0,0,0|2,0,0]=4 319 B17R1.16953 CCOc1cc(ccc1O)CNCC(C)CC 270004a_200000751567_100000243153 [0,1,1,0,0,0|2,0,0]=4 320 B17R1.16953 CCOc1cc(ccc1O)CNCC(C)CC 34a_200000751567_100000748023 [0,1,1,0,0,0|2,0,0]=4 321 B17R1.16953 CCOc1cc(ccc1O)CNCC(O)CC 34a_200000751567_100011218378 [0,1,1,0,0,0|1,0,0]=3 322 B17R1.16953 CCOc1cc(ccc1O)CNCC(O)CO 34a_200000751567_100011219619 [0,1,1,0,0,0|1,0,0]=3 323 B17R1.16953 CCOc1cc(ccc1O)CNC[C@@H](C)CC 34a_200000751567_100009816398 [0,1,1,0,0,0|2,0,0]=4 324 B17R1.16953 CCOc1cc(ccc1O)CNC[C@@H](C)CO 34a_200000751567_100000059175 [0,1,1,0,0,0|1,0,0]=3 325 B17R1.16953 CCOc1cc(ccc1O)CNC[C@@H](O)CF 34a_200000751567_100015614560 [0,1,1,0,0,0|1,0,0]=3 326 B17R1.16953 CCOc1cc(ccc1O)CNC[C@@H](O)CO 34a_200000751567_100009815848 [0,1,1,0,0,0|1,0,0]=3 327 B17R1.16955 CCOc1cc(ccc1O)CNC(=O)[C@@H](C)O 240690a_200000751567_100000717761 [0,1,1,0,0,0|1,0,1]=4 328 B17R1.16955 CCOc1cc(ccc1O)CNC(=O)[C@H](C)O 240690a_200000751567_217856618621 [0,1,1,0,0,0|1,0,1]=4 329 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)C 207a_100000210953_100000170514 [0,1,1,0,0,0|2,0,0]=4 330 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)C 2230a_100000755831_100000210760 [0,1,1,0,0,0|2,0,0]=4 331 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)C 270004a_100000210953_100000170514 [0,1,1,0,0,0|2,0,0]=4 332 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)C 270004a_100000755831_100000210432 [0,1,1,0,0,0|2,0,0]=4 333 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)C 34a_100000755831_100000210624 [0,1,1,0,0,0|2,0,0]=4 334 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 207a_100000210904_100000170514 [0,1,1,0,0,0|1,0,0]=3 335 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 2230a_100000755831_100011218427 [0,1,1,0,0,0|1,0,0]=3 336 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 270004a_100000210904_100000170514 [0,1,1,0,0,0|1,0,0]=3 337 B17R1.16980 CCOc1cc(ccc1OC)CNCC(C)O 34a_100000755831_100011218427 [0,1,1,0,0,0|1,0,0]=3 338 B17R1.16980 CCOc1cc(ccc1OC)CNC[C@@H](C)O 2230a_100000755831_100009817552 [0,1,1,0,0,0|1,0,0]=3 339 B17R1.16980 CCOc1cc(ccc1OC)CNC[C@@H](C)O 34a_100000755831_100009817552 [0,1,1,0,0,0|1,0,0]=3 340 B17R1.16985 CCOc1cc(ccc1Br)CNCC(C)(C)O 207a_100000751335_200010381951 [0,1,1,0,0,0|2,0,0]=4 341 B17R1.16985 CCOc1cc(ccc1Br)CNCC(C)(C)O 270004a_100000751335_200010381951 [0,1,1,0,0,0|2,0,0]=4 342 B17R1.16985 CCOc1cc(ccc1F)CNCC(C)(C)O 207a_100000751335_200000106648 [0,1,1,0,0,0|2,0,0]=4 343 B17R1.16985 CCOc1cc(ccc1F)CNCC(C)(C)O 270004a_100000751335_200000106648 [0,1,1,0,0,0|2,0,0]=4 344 B17R1.16985 CCOc1cc(ccc1O)CNCC(C)(C)C 270004a_200000751567_100011204126 [0,1,1,0,0,0|2,0,0]=4 345 B17R1.16985 CCOc1cc(ccc1O)CNCC(C)(C)C 34a_200000751567_100011219605 [0,1,1,0,0,0|2,0,0]=4 346 B17R1.16985 CCOc1cc(ccc1O)CNCC(C)(C)F 34a_200000751567_100011997219 [0,1,1,0,0,0|2,0,0]=4 347 B17R1.16985 CCOc1cc(ccc1O)CNCC(C)(C)O 34a_200000751567_100000764493 [0,1,1,0,0,0|1,0,0]=3 348 B17R1.17023 CCOc1cc(ccc1Br)CN(C)CC(C)O 270004a_100000227577_200010381951 [0,1,1,0,0,0|2,0,0]=4 349 B17R1.17023 CCOc1cc(ccc1F)CN(C)CC(C)O 270004a_100000227577_200000106648 [0,1,1,0,0,0|2,0,0]=4 350 B17R1.17023 CCOc1cc(ccc1O)CC(=O)CC(C)C 1458a_200000048972_100000210624 [0,1,1,0,0,0|2,0,0]=4 351 B17R1.17023 CCOc1cc(ccc1O)CC(=O)CC(C)O 1458a_200000048972_100011218427 [0,1,1,0,0,0|1,0,0]=3 352 B17R1.23659 CC(O)CNCc1ccc(c(c1)OC(C)C)F 207a_100000210904_200000111908 [0,1,1,0,0,0|2,0,0]=4 353 B17R1.23659 CC(O)CNCc1ccc(c(c1)OC(C)C)F 270004a_100000210904_200000111908 [0,1,1,0,0,0|2,0,0]=4 354 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)Cl 207a_100000210904_200010116236 [0,1,1,0,0,0|2,0,0]=4 355 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)Cl 270004a_100000210904_200010116236 [0,1,1,0,0,0|2,0,0]=4 356 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)F 207a_100000210904_100000061586 [0,1,1,0,0,0|2,0,0]=4 357 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)F 2230a_100000210904_200009814558 [0,1,1,0,0,0|2,0,0]=4 358 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)F 270004a_100000210904_100000061586 [0,1,1,0,0,0|2,0,0]=4 359 B17R1.84963 CCOc1c(ccc(c1F)CNCC(C)O)F 34a_100000210904_200009814558 [0,1,1,0,0,0|2,0,0]=4 360 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)Br)F 34a_100012180447_200009814558 [0,1,1,0,0,0|2,0,0]=4 361 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)C)Cl 34a_200010116239_100000210624 [0,1,1,0,0,0|2,0,0]=4 362 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)C)Cl 7a_200010116239_100000210760 [0,1,1,0,0,0|2,0,0]=4 363 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)C)F 34a_100000210257_200009814558 [0,1,1,0,0,0|2,0,0]=4 364 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)F)F 34a_100015925927_200009814558 [0,1,1,0,0,0|2,0,0]=4 365 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)O)Cl 34a_200010116239_100011218427 [0,1,1,0,0,0|1,0,0]=3 366 B17R1.84963 CCOc1c(ccc(c1F)COCC(C)O)Cl 7a_200010116239_100011218427 [0,1,1,0,0,0|1,0,0]=3 367 B17R1.84963 CCOc1c(ccc(c1F)COC[C@@H](C)Cl)F 34a_100016084084_200009814558 [0,1,1,0,0,0|2,0,0]=4 368 B17R1.84963 CCOc1c(ccc(c1F)COC[C@@H](C)N)F 34a_100000737577_200009814558 [0,1,1,0,0,0|2,0,0]=4 369 B17R1.84963 CCOc1c(ccc(c1F)COC[C@@H](C)O)Cl 34a_200010116239_100009817552 [0,1,1,0,0,0|1,0,0]=3 370 B17R1.84963 CCOc1c(ccc(c1F)COC[C@@H](C)O)Cl 7a_200010116239_100009817552 [0,1,1,0,0,0|1,0,0]=3 371 B17R1.84963 CCOc1c(ccc(c1F)CSCC(C)O)F 62a_100011218427_200009814558 [0,1,1,0,0,0|1,1,0]=4 372 B17R1.84963 CCOc1c(ccc(c1F)CSCC(C)O)F 62a_200009814558_100011218427 [0,1,1,0,0,0|1,1,0]=4 373 B17R1.84963 CCOc1c(ccc(c1F)CSC[C@@H](C)O)F 62a_100009817552_200009814558 [0,1,1,0,0,0|1,1,0]=4 374 B17R1.84963 CCOc1c(ccc(c1F)CSC[C@@H](C)O)F 62a_200009814558_100009817552 [0,1,1,0,0,0|1,1,0]=4 375 B17R1.16978 CCOc1cc(ccc1OC)[C@@H](N)CC(C)C 271570a_100015190218_200010219349 [0,1,1,0,0,0|2,0,0]=4 376 B17R1.1392 CC(C)Oc1cc(ccc1F)CN[C@H](C)CO 207a_100000737577_200000111908 [0,1,1,0,0,0|2,0,0]=4 377 B17R1.1392 CC(C)Oc1cc(ccc1F)CN[C@H](C)CO 270004a_100000737577_200000111908 [0,1,1,0,0,0|2,0,0]=4 378 B17R1.16951 CCCC(C)NCc1ccc(c(c1)OCC)O 270004a_200000751567_100000211909 [0,1,1,0,0,0|2,0,0]=4 379 B17R1.16951 CCCC(C)NCc1ccc(c(c1)OCC)O 34a_200000751567_100000766640 [0,1,1,0,0,0|2,0,0]=4 380 B17R1.16951 CCOc1cc(ccc1Br)CN[C@H](C)CCO 207a_100000706166_200010381951 [0,1,1,0,0,0|2,0,0]=4 381 B17R1.16951 CCOc1cc(ccc1Br)CN[C@H](C)CCO 270004a_100000706166_200010381951 [0,1,1,0,0,0|2,0,0]=4 382 B17R1.16951 CCOc1cc(ccc1Br)CN[C@H](C)COC 207a_100000764878_200010381951 [0,1,1,0,0,0|2,0,0]=4 383 B17R1.16951 CCOc1cc(ccc1Br)CN[C@H](C)COC 270004a_100000764878_200010381951 [0,1,1,0,0,0|2,0,0]=4 384 B17R1.16951 CCOc1cc(ccc1F)CN[C@H](C)CCO 207a_100000706166_200000106648 [0,1,1,0,0,0|2,0,0]=4 385 B17R1.16951 CCOc1cc(ccc1F)CN[C@H](C)CCO 270004a_100000706166_200000106648 [0,1,1,0,0,0|2,0,0]=4 386 B17R1.16951 CCOc1cc(ccc1F)CN[C@H](C)COC 207a_100000764878_200000106648 [0,1,1,0,0,0|2,0,0]=4 387 B17R1.16951 CCOc1cc(ccc1F)CN[C@H](C)COC 270004a_100000764878_200000106648 [0,1,1,0,0,0|2,0,0]=4 388 B17R1.16951 CCOc1cc(ccc1O)CNC(C)CCO 34a_200000751567_100009893172 [0,1,1,0,0,0|1,0,0]=3 389 B17R1.16951 CCOc1cc(ccc1O)CNC(C)COC 270004a_200000751567_100000749346 [0,1,1,0,0,0|1,0,0]=3 390 B17R1.16951 CCOc1cc(ccc1O)CNC(C)COC 34a_200000751567_100000765312 [0,1,1,0,0,0|1,0,0]=3 391 B17R1.16951 CCOc1cc(ccc1O)CNC(C)CSC 270004a_200000751567_100011216314 [0,1,1,0,0,0|1,1,0]=4 392 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CC 207a_100000209981_100000170514 [0,1,1,0,0,0|2,0,0]=4 393 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CC 2230a_100000755831_100000758301 [0,1,1,0,0,0|2,0,0]=4 394 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CC 270004a_100000209981_100000170514 [0,1,1,0,0,0|2,0,0]=4 395 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CC 34a_100000755831_100011215416 [0,1,1,0,0,0|2,0,0]=4 396 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CO 2230a_100000755831_100012180447 [0,1,1,0,0,0|1,0,0]=3 397 B17R1.16981 CCOc1cc(ccc1OC)CNC(C)CO 34a_100000755831_100012180447 [0,1,1,0,0,0|1,0,0]=3 398 B17R1.16981 CCOc1cc(ccc1OC)CN[C@H](C)CF 207a_100102880703_100000170514 [0,1,1,0,0,0|2,0,0]=4 399 B17R1.16981 CCOc1cc(ccc1OC)CN[C@H](C)CF 270004a_100102880703_100000170514 [0,1,1,0,0,0|2,0,0]=4 400 B17R1.16981 CCOc1cc(ccc1OC)CN[C@H](C)CO 207a_100000737577_100000170514 [0,1,1,0,0,0|1,0,0]=3 401 B17R1.16981 CCOc1cc(ccc1OC)CN[C@H](C)CO 270004a_100000737577_100000170514 [0,1,1,0,0,0|1,0,0]=3 402 B17R1.16987 CCOc1cc(ccc1Br)CN(C)C(C)CO 270004a_100000693034_200010381951 [0,1,1,0,0,0|2,0,0]=4 403 B17R1.16987 CCOc1cc(ccc1F)CN(C)C(C)CO 270004a_100000693034_200000106648 [0,1,1,0,0,0|2,0,0]=4 404 B17R1.16987 CCOc1cc(ccc1O)CC(=O)C(C)CC 1458a_200000048972_100000758301 [0,1,1,0,0,0|2,0,0]=4 405 B17R1.17024 CCOc1cc(ccc1Br)CNC(CO)CO 207a_100000759517_200010381951 [0,1,1,0,0,0|2,0,0]=4 406 B17R1.17024 CCOc1cc(ccc1Br)CN[C@@H](CC)CO 207a_100000709445_200010381951 [0,1,1,0,0,0|2,0,0]=4 407 B17R1.17024 CCOc1cc(ccc1Br)CN[C@@H](CC)CO 270004a_100000709445_200010381951 [0,1,1,0,0,0|2,0,0]=4 408 B17R1.17024 CCOc1cc(ccc1F)CNC(CO)CO 207a_100000759517_200000106648 [0,1,1,0,0,0|2,0,0]=4 409 B17R1.17024 CCOc1cc(ccc1F)CN[C@@H](CC)CO 207a_100000709445_200000106648 [0,1,1,0,0,0|2,0,0]=4 410 B17R1.17024 CCOc1cc(ccc1F)CN[C@@H](CC)CO 270004a_100000709445_200000106648 [0,1,1,0,0,0|2,0,0]=4 411 B17R1.17024 CCOc1cc(ccc1O)CNC(CC)CC 270004a_200000751567_100000210860 [0,1,1,0,0,0|2,0,0]=4 412 B17R1.84949 CCOc1c(ccc(c1F)CN[C@H](C)CO)Cl 207a_100000737577_200010116236 [0,1,1,0,0,0|2,0,0]=4 413 B17R1.84949 CCOc1c(ccc(c1F)CN[C@H](C)CO)Cl 270004a_100000737577_200010116236 [0,1,1,0,0,0|2,0,0]=4 414 B17R1.84949 CCOc1c(ccc(c1F)CN[C@H](C)CO)F 207a_100000737577_100000061586 [0,1,1,0,0,0|2,0,0]=4 415 B17R1.84949 CCOc1c(ccc(c1F)CN[C@H](C)CO)F 2230a_100000737577_200009814558 [0,1,1,0,0,0|2,0,0]=4 416 B17R1.84949 CCOc1c(ccc(c1F)CN[C@H](C)CO)F 270004a_100000737577_100000061586 [0,1,1,0,0,0|2,0,0]=4 417 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CC)Cl 34a_200010116239_100011215416 [0,1,1,0,0,0|2,0,0]=4 418 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CC)Cl 7a_200010116239_100000758301 [0,1,1,0,0,0|2,0,0]=4 419 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CC)F 7a_100000210228_200009814558 [0,1,1,0,0,0|2,0,0]=4 420 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CF)F 34a_100016041109_200009814558 [0,1,1,0,0,0|2,0,0]=4 421 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CF)F 7a_100016041109_200009814558 [0,1,1,0,0,0|2,0,0]=4 422 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CN)F 34a_100000210904_200009814558 [0,1,1,0,0,0|2,0,0]=4 423 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CO)Cl 34a_200010116239_100012180447 [0,1,1,0,0,0|1,0,0]=3 424 B17R1.84949 CCOc1c(ccc(c1F)COC(C)CO)Cl 7a_200010116239_100012180447 [0,1,1,0,0,0|1,0,0]=3 425 B17R1.84949 CCOc1c(ccc(c1F)CSC(C)CO)F 62a_100012180447_200009814558 [0,1,1,0,0,0|1,1,0]=4 426 B17R1.84949 CCOc1c(ccc(c1F)CS[C@H](C)CO)F 62a_100016084084_200009814558 [0,1,1,0,0,0|1,1,0]=4 427 B17R1.84949 CCOc1c(ccc(c1F)CS[C@H](C)CO)F 62a_200009814558_100016084084 [0,1,1,0,0,0|1,1,0]=4 428 B17R1.107448 CCOc1cc(ccc1Br)CNC(C)(C)CO 207a_100000210608_200010381951 [0,1,1,0,0,0|2,0,0]=4 429 B17R1.107448 CCOc1cc(ccc1Br)CNC(C)(C)CO 270004a_100000210608_200010381951 [0,1,1,0,0,0|2,0,0]=4 430 B17R1.107448 CCOc1cc(ccc1F)CNC(C)(C)CO 207a_100000210608_200000106648 [0,1,1,0,0,0|2,0,0]=4 431 B17R1.107448 CCOc1cc(ccc1F)CNC(C)(C)CO 270004a_100000210608_200000106648 [0,1,1,0,0,0|2,0,0]=4 432 B17R2.337 CC(C)Sc1cc(ccc1F)C2OCCO2 62a_100000210206_100010165081 [1,1,0,0,0,0|1,1,0]=4 433 B17R2.703 CCCCc1cc(ccc1F)C2OCCO2 271570a_100020621405_100010165081 [1,1,0,0,0,0|2,0,0]=4 434 B17R2.703 CCCSc1cc(ccc1F)C2OCCO2 62a_100000210303_100010165081 [1,1,0,0,0,0|1,1,0]=4 435 B17R2.703 COCSc1cc(ccc1F)C2OCCO2 62a_100000766300_100010165081 [1,1,0,0,0,0|1,1,0]=4 436 B17R2.703 CSCSc1cc(ccc1F)C2OCCO2 62a_100011218213_100010165081 [1,1,0,0,0,0|1,1,0]=4 437 B17R2.703 FCCSc1cc(ccc1F)C2OCCO2 62a_100011217306_100010165081 [1,1,0,0,0,0|1,1,0]=4 438 B17R2.703 OCCSc1cc(ccc1F)C2OCCO2 62a_100000211926_100010165081 [1,1,0,0,0,0|1,1,0]=4 439 B17R2.32140 CCSc1cc(c(cc1F)F)C2OCCO2 62a_100000210202_202516691422 [1,1,0,0,0,0|1,1,0]=4 440 B17R2.299425 CCSc1cc(ccc1F)C2(OCCO2)C 62a_100000210202_200011002592 [1,1,0,0,0,0|1,1,0]=4 441 B17R2.2408 COc1cc(ccc1O[13CH3])C2OCC(O2)C 34a_100009991347_200025704644 [1,1,0,0,0,0|0,0,0]=2 442 B17R2.2408 COc1cc(ccc1O[13CH3])C2OCC(O2)C 7a_100009991347_200025704644 [1,1,0,0,0,0|0,0,0]=2 443 B17R2.2408 COc1ccc(cc1OC)C2OCC(O2)C 34a_100009991347_200000210301 [1,1,0,0,0,0|0,0,0]=2 444 B17R2.2408 COc1ccc(cc1OC)C2OCC(O2)C 7a_100009991347_200000210301 [1,1,0,0,0,0|0,0,0]=2 445 B19R2.119345 CCOc1cc(ccc1CNC)C2OCC(O2)C 26a_100102657272_100009991348 [0,2,0,0,0,0|1,0,0]=3 446 B19R2.119345 CCOc1cc(ccc1OCF)C2OCC(O2)C 34a_100009991348_100015361967 [0,2,0,0,0,0|0,0,0]=2 447 B19R2.119345 CCOc1cc(ccc1OCF)C2OCC(O2)C 7a_100009991348_100015361967 [0,2,0,0,0,0|0,0,0]=2 448 B19R2.119345 CCOc1ccc(cc1OCC)C2OCC(O2)C 34a_100009991348_100000210202 [0,2,0,0,0,0|0,0,0]=2 449 B19R2.119345 CCOc1ccc(cc1OCC)C2OCC(O2)C 7a_100009991348_100000210202 [0,2,0,0,0,0|0,0,0]=2 450 B17R2.3604 CCCC(NC)c1ccc2c(c1)OCCO2 269862a_106832991636_100011267446 [0,0,1,1,0,0|2,0,0]=4 451 B17R2.3604 CCNC(CC)c1ccc2c(c1)OCCO2 269862a_100015525214_100000743133 [0,0,1,1,0,0|2,0,0]=4 452 B17R2.2104 CCCNC(C)c1ccc2c(c1)OCCO2 2230a_100000738497_100000210303 [0,0,1,1,0,0|2,0,0]=4 453 B17R2.2104 CCCNC(C)c1ccc2c(c1)OCCO2 269862a_100020643023_100000182760 [0,0,1,1,0,0|2,0,0]=4 454 B17R2.2104 CCCNC(C)c1ccc2c(c1)OCCO2 34a_100000738497_100000210303 [0,0,1,1,0,0|2,0,0]=4 455 B17R2.4859 Cc1nc2cc(ccc2o1)COCC(C)O 34a_200009878806_100011218427 [0,0,1,1,0,0|1,0,1]=4 456 B17R2.4859 Cc1nc2cc(ccc2o1)COCC(C)O 7a_200009878806_100011218427 [0,0,1,1,0,0|1,0,1]=4 457 B17R2.4859 Cc1nc2cc(ccc2o1)COC[C@@H](C)O 34a_200009878806_100009817552 [0,0,1,1,0,0|1,0,1]=4 458 B17R2.4859 Cc1nc2cc(ccc2o1)COC[C@@H](C)O 7a_200009878806_100009817552 [0,0,1,1,0,0|1,0,1]=4 459 B17R2.4859 Cc1nc2ccc(cc2o1)COCC(C)O 34a_100010326561_100011218427 [0,0,1,1,0,0|1,0,1]=4 460 B17R2.4859 Cc1nc2ccc(cc2o1)COCC(C)O 7a_100010326561_100011218427 [0,0,1,1,0,0|1,0,1]=4 461 B17R2.4859 Cc1nc2ccc(cc2o1)COC[C@@H](C)O 34a_100010326561_100009817552 [0,0,1,1,0,0|1,0,1]=4 462 B17R2.4859 Cc1nc2ccc(cc2o1)COC[C@@H](C)O 7a_100010326561_100009817552 [0,0,1,1,0,0|1,0,1]=4 463 B17R2.5669 C=C(C)COCc1ccc2c(c1)OCCO2 34a_100000745213_100000748629 [0,0,1,1,0,0|1,0,1]=4 464 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 207a_100000210953_100000184955 [0,0,1,1,0,0|2,0,0]=4 465 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100000210760 [0,0,1,1,0,0|2,0,0]=4 466 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 270004a_100000210953_100000184955 [0,0,1,1,0,0|2,0,0]=4 467 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 270004a_100000684186_100000210432 [0,0,1,1,0,0|2,0,0]=4 468 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100000210624 [0,0,1,1,0,0|2,0,0]=4 469 B17R2.5669 CC(C)COCc1ccc2c(c1)OCCO2 34a_100000745213_100000210624 [0,0,1,1,0,0|1,0,0]=3 470 B17R2.5669 CC(O)CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100012276601 [0,0,1,1,0,0|2,0,0]=4 471 B17R2.5669 CC(O)CCNc1ccc2c(c1)OCCO2 34a_100020630400_100012276601 [0,0,1,1,0,0|2,0,0]=4 472 B17R2.5669 CC(O)CCOc1ccc2c(c1)OCCO2 34a_100000234341_100012276601 [0,0,1,1,0,0|2,0,0]=4 473 B17R2.5669 CC(O)CCSc1ccc2c(c1)OCCO2 62a_100011216881_100012276601 [0,0,1,1,0,0|2,0,0]=4 474 B17R2.5669 CC(O)CCSc1ccc2c(c1)OCCO2 62a_100012276601_100011216881 [0,0,1,1,0,0|2,0,0]=4 475 B17R2.5669 CC(O)CNCc1ccc2c(c1)CCCO2 207a_100000210904_100011934692 [0,0,1,1,0,0|2,0,0]=4 476 B17R2.5669 CC(O)CNCc1ccc2c(c1)CCCO2 270004a_100000210904_100011934692 [0,0,1,1,0,0|2,0,0]=4 477 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 207a_100000210904_100000184955 [0,0,1,1,0,0|1,0,0]=3 478 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100011218427 [0,0,1,1,0,0|1,0,0]=3 479 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 270004a_100000210904_100000184955 [0,0,1,1,0,0|1,0,0]=3 480 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100011218427 [0,0,1,1,0,0|1,0,0]=3 481 B17R2.5669 CC(O)CNCc1ccc2c(n1)OCCO2 207a_100000210904_100009856165 [0,0,1,1,0,0|2,0,0]=4 482 B17R2.5669 CC(O)CNCc1ccc2c(n1)OCCO2 270004a_100000210904_100009856165 [0,0,1,1,0,0|2,0,0]=4 483 B17R2.5669 CC(O)COCc1ccc2c(c1)OCCO2 34a_100000745213_100011218427 [0,0,1,1,0,0|0,0,0]=2 484 B17R2.5669 C[C@@H](O)CNCc1ccc2c(c1)OCCO2 2230a_100000684186_100009817552 [0,0,1,1,0,0|1,0,0]=3 485 B17R2.5669 C[C@@H](O)CNCc1ccc2c(c1)OCCO2 34a_100000684186_100009817552 [0,0,1,1,0,0|1,0,0]=3 486 B17R2.5669 C[C@@H](O)COCc1ccc2c(c1)OCCO2 34a_100000745213_100009817552 [0,0,1,1,0,0|0,0,0]=2 487 B17R2.5669 FC(F)COCc1ccc2c(c1)OCCO2 34a_100000745213_100011934356 [0,0,1,1,0,0|2,0,0]=4 488 B17R2.45972 CCOc1cc(ccc1O)CNCC2CC2 34a_200000751567_100000742324 [0,0,1,1,0,0|2,0,0]=4 489 B17R2.45972 CCOc1cc(ccc1O)CNCC2CO2 34a_200000751567_102125554688 [0,0,1,1,0,0|1,0,0]=3 490 B17R2.18967 CC(C)C[C@H](N)c1ccc2c(c1)OCCO2 271570a_100015190218_100000184379 [0,0,1,1,0,0|2,0,0]=4 491 B17R2.18967 CC(C)NC(C)c1ccc2c(c1)OCCO2 2230a_100000738497_100000210206 [0,0,1,1,0,0|2,0,0]=4 492 B17R2.18967 CC(C)NC(C)c1ccc2c(c1)OCCO2 34a_100000738497_100000210206 [0,0,1,1,0,0|2,0,0]=4 493 B17R2.556 C#CC(C)OCc1ccc2c(c1)OCCO2 34a_100000745213_200000035995 [0,0,1,1,0,0|1,0,1]=4 494 B17R2.556 CC(CO)NCc1ccc2c(c1)OCCO2 2230a_100000684186_100012180447 [0,0,1,1,0,0|1,0,0]=3 495 B17R2.556 CC(CO)NCc1ccc2c(c1)OCCO2 34a_100000684186_100012180447 [0,0,1,1,0,0|1,0,0]=3 496 B17R2.556 CC(CO)OCc1ccc2c(c1)OCCO2 34a_100000745213_100012180447 [0,0,1,1,0,0|0,0,0]=2 497 B17R2.556 CCC(C)NCc1ccc2c(c1)OCCO2 207a_100000209981_100000184955 [0,0,1,1,0,0|2,0,0]=4 498 B17R2.556 CCC(C)NCc1ccc2c(c1)OCCO2 2230a_100000684186_100000758301 [0,0,1,1,0,0|2,0,0]=4 499 B17R2.556 CCC(C)NCc1ccc2c(c1)OCCO2 270004a_100000209981_100000184955 [0,0,1,1,0,0|2,0,0]=4 500 B17R2.556 CCC(C)NCc1ccc2c(c1)OCCO2 34a_100000684186_100011215416 [0,0,1,1,0,0|2,0,0]=4 501 B17R2.556 CCC(C)OCc1ccc2c(c1)OCCO2 34a_100000745213_100011215416 [0,0,1,1,0,0|1,0,0]=3 502 B17R2.556 C[C@@H](CO)CNc1ccc2c(c1)OCCO2 2230a_100020630400_100000059175 [0,0,1,1,0,0|2,0,0]=4 503 B17R2.556 C[C@@H](CO)CNc1ccc2c(c1)OCCO2 34a_100020630400_100000059175 [0,0,1,1,0,0|2,0,0]=4 504 B17R2.556 C[C@@H](CO)COc1ccc2c(c1)OCCO2 34a_100000234341_100000059175 [0,0,1,1,0,0|2,0,0]=4 505 B17R2.556 C[C@@H](CO)CSc1ccc2c(c1)OCCO2 62a_100000059175_100011216881 [0,0,1,1,0,0|2,0,0]=4 506 B17R2.556 C[C@@H](CO)CSc1ccc2c(c1)OCCO2 62a_100011216881_100000059175 [0,0,1,1,0,0|2,0,0]=4 507 B17R2.556 C[C@H](CF)NCc1ccc2c(c1)OCCO2 207a_100102880703_100000184955 [0,0,1,1,0,0|2,0,0]=4 508 B17R2.556 C[C@H](CF)NCc1ccc2c(c1)OCCO2 270004a_100102880703_100000184955 [0,0,1,1,0,0|2,0,0]=4 509 B17R2.556 C[C@H](CO)NCc1ccc2c(c1)CCCO2 207a_100000737577_100011934692 [0,0,1,1,0,0|2,0,0]=4 510 B17R2.556 C[C@H](CO)NCc1ccc2c(c1)CCCO2 270004a_100000737577_100011934692 [0,0,1,1,0,0|2,0,0]=4 511 B17R2.556 C[C@H](CO)NCc1ccc2c(c1)OCCO2 207a_100000737577_100000184955 [0,0,1,1,0,0|1,0,0]=3 512 B17R2.556 C[C@H](CO)NCc1ccc2c(c1)OCCO2 270004a_100000737577_100000184955 [0,0,1,1,0,0|1,0,0]=3 513 B17R2.556 C[C@H](CO)NCc1ccc2c(n1)OCCO2 207a_100000737577_100009856165 [0,0,1,1,0,0|2,0,0]=4 514 B17R2.556 C[C@H](CO)NCc1ccc2c(n1)OCCO2 270004a_100000737577_100009856165 [0,0,1,1,0,0|2,0,0]=4 515 B17R2.60983 Cc1nc2cc(ccc2o1)COC(C)CO 34a_200009878806_100012180447 [0,0,1,1,0,0|1,0,1]=4 516 B17R2.60983 Cc1nc2cc(ccc2o1)COC(C)CO 7a_200009878806_100012180447 [0,0,1,1,0,0|1,0,1]=4 517 B17R2.60983 Cc1nc2ccc(cc2o1)COC(C)CO 34a_100010326561_100012180447 [0,0,1,1,0,0|1,0,1]=4 518 B17R2.60983 Cc1nc2ccc(cc2o1)COC(C)CO 7a_100010326561_100012180447 [0,0,1,1,0,0|1,0,1]=4 519 B17R2.299465 CCOc1cc(ccc1Br)CNC2COC2 207a_100016991112_200010381951 [0,0,1,1,0,0|2,0,0]=4 520 B17R2.299465 CCOc1cc(ccc1Br)CNC2COC2 270004a_100016991112_200010381951 [0,0,1,1,0,0|2,0,0]=4 521 B17R2.299465 CCOc1cc(ccc1F)CNC2COC2 207a_100016991112_200000106648 [0,0,1,1,0,0|2,0,0]=4 522 B17R2.299465 CCOc1cc(ccc1F)CNC2COC2 270004a_100016991112_200000106648 [0,0,1,1,0,0|2,0,0]=4 523 B17R2.299465 CCOc1cc(ccc1O)CNC2CCC2 270004a_200000751567_100000241760 [0,0,1,1,0,0|2,0,0]=4 524 B17R2.299465 CCOc1cc(ccc1O)CNC2CCC2 34a_200000751567_100000749161 [0,0,1,1,0,0|2,0,0]=4 525 B17R2.299465 CCOc1cc(ccc1O)CNC2COC2 34a_200000751567_100009818527 [0,0,1,1,0,0|1,0,0]=3 526 B17R3.160 Fc1ccc(cc1C2CC2)C3OCCO3 271570a_100011220607_100010165081 [1,0,0,1,0,0|2,0,0]=4 527 B15R1.530 CCOc1cc(ccc1O)C(=O)C(C)C 1458a_100011260950_100000210206 [0,0,1,0,1,0|0,0,2]=4 528 B15R1.9222 CCNc1cc(ccc1C)OC(C)CO 34a_100000211784_100012180447 [0,0,1,0,1,0|2,0,0]=4 529 B15R1.9222 CCNc1cc(ccc1C)OC(C)CO 7a_100000211784_100012180447 [0,0,1,0,1,0|2,0,0]=4 530 B15R1.9222 CCOc1cc(ccc1Br)NC(C)CO 2230a_200016990551_100012180447 [0,0,1,0,1,0|2,0,0]=4 531 B15R1.9222 CCOc1cc(ccc1Br)NC(C)CO 34a_200016990551_100012180447 [0,0,1,0,1,0|2,0,0]=4 532 B15R1.9222 CCOc1cc(ccc1Br)NC(C)CO 7a_200016990551_100012180447 [0,0,1,0,1,0|2,0,0]=4 533 B15R1.9222 CCOc1cc(ccc1C)SC(C)CO 62a_100012180447_100012361169 [0,0,1,0,1,0|1,1,0]=4 534 B15R1.9222 CCOc1cc(ccc1C)S[C@H](C)CO 62a_100012361169_100016084084 [0,0,1,0,1,0|1,1,0]=4 535 B15R1.9222 CCOc1cc(ccc1C)S[C@H](C)CO 62a_100016084084_100012361169 [0,0,1,0,1,0|1,1,0]=4 536 B15R1.9222 CCOc1cc(ccc1Cl)NC(C)CO 2230a_100011964961_100012180447 [0,0,1,0,1,0|2,0,0]=4 537 B15R1.9222 CCOc1cc(ccc1Cl)NC(C)CO 34a_100011964961_100012180447 [0,0,1,0,1,0|2,0,0]=4 538 B15R1.9222 CCOc1cc(ccc1F)SC(C)CO 62a_100012180447_200012344967 [0,0,1,0,1,0|1,1,0]=4 539 B15R1.9222 CCOc1cc(ccc1F)S[C@H](C)CO 62a_100016084084_200012344967 [0,0,1,0,1,0|1,1,0]=4 540 B15R1.9222 CCOc1cc(ccc1F)S[C@H](C)CO 62a_200012344967_100016084084 [0,0,1,0,1,0|1,1,0]=4 541 B15R1.9222 CCOc1cc(ccc1N)S[C@H](C)CO 62a_100000688918_100016084084 [0,0,1,0,1,0|1,1,0]=4 542 B17R1.16952 CCOc1cc(ccc1Br)CNCCC(C)O 207a_200000755665_200010381951 [0,0,1,0,0,1|2,0,0]=4 543 B17R1.16952 CCOc1cc(ccc1Br)CNCCC(C)O 270004a_200000755665_200010381951 [0,0,1,0,0,1|2,0,0]=4 544 B17R1.16952 CCOc1cc(ccc1Br)NCCCC(C)O 2230a_200016990551_200000718107 [0,0,1,0,0,1|2,0,0]=4 545 B17R1.16952 CCOc1cc(ccc1Br)NCCCC(C)O 34a_200016990551_200000718107 [0,0,1,0,0,1|2,0,0]=4 546 B17R1.16952 CCOc1cc(ccc1Br)NCCCC(C)O 7a_200016990551_200000718107 [0,0,1,0,0,1|2,0,0]=4 547 B17R1.16952 CCOc1cc(ccc1C)SCCCC(C)O 62a_100012361169_200000718107 [0,0,1,0,0,1|2,0,0]=4 548 B17R1.16952 CCOc1cc(ccc1C)SCCCC(C)O 62a_200000718107_100012361169 [0,0,1,0,0,1|2,0,0]=4 549 B17R1.16952 CCOc1cc(ccc1Cl)NCCCC(C)O 2230a_100011964961_200000718107 [0,0,1,0,0,1|2,0,0]=4 550 B17R1.16952 CCOc1cc(ccc1Cl)NCCCC(C)O 34a_100011964961_200000718107 [0,0,1,0,0,1|2,0,0]=4 551 B17R1.16952 CCOc1cc(ccc1F)CNCCC(C)O 207a_200000755665_200000106648 [0,0,1,0,0,1|2,0,0]=4 552 B17R1.16952 CCOc1cc(ccc1F)CNCCC(C)O 270004a_200000755665_200000106648 [0,0,1,0,0,1|2,0,0]=4 553 B17R1.16952 CCOc1cc(ccc1F)SCCCC(C)O 62a_200000718107_200012344967 [0,0,1,0,0,1|2,0,0]=4 554 B17R1.16952 CCOc1cc(ccc1F)SCCCC(C)O 62a_200012344967_200000718107 [0,0,1,0,0,1|2,0,0]=4 555 B17R1.16952 CCOc1cc(ccc1N)SCCCC(C)O 62a_100000688918_200000718107 [0,0,1,0,0,1|2,0,0]=4 556 B17R1.16952 CCOc1cc(ccc1O)C=NNCC(C)O 4a_200000730056_100000188318 [0,0,1,0,0,1|1,0,1]=4 557 B17R1.16952 CCOc1cc(ccc1O)CNCCC(C)C 34a_200000751567_100000210312 [0,0,1,0,0,1|2,0,0]=4 558 B17R1.16952 CCOc1cc(ccc1O)CNCCC(C)O 34a_200000751567_100012276601 [0,0,1,0,0,1|1,0,0]=3 559 B17R1.16952 CCOc1cc(ccc1O)CNCOC(C)C 34a_200000751567_100000709892 [0,0,1,0,0,1|2,0,0]=4 560 B19R2.9024 CCOc1cc(ccc1O)CNC2CCC(C2)C 270004a_200000751567_100011215218 [0,0,0,0,0,2|2,0,0]=4