0 B10R0.3 C#CCC(=O)CCC=C(C)C 1458a_100011220946_100011217483 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [0,0,0,0,0,0|2,0,2]=4 2 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [0,0,0,0,0,0|2,0,2]=4 3 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [0,0,0,0,0,0|2,0,2]=4 4 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [0,0,0,0,0,0|2,0,2]=4 5 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [0,0,0,0,0,0|2,0,2]=4 7 B10R0.3 CC#CC(=O)CCC=C(C)C 1458a_100000763181_100011217483 [0,0,0,0,0,0|2,0,2]=4 8 B10R0.3 CC(=CCCC(=O)C=CBr)C 1458a_100016273825_100011217483 [0,0,0,0,0,0|2,0,1]=3 9 B10R0.3 CC(=CCCC(=O)C=CCl)C 1458a_200016279998_100011217483 [0,0,0,0,0,0|2,0,1]=3 10 B10R0.3 CC(=CCCC(=O)C=CI)C 1458a_100016256311_100011217483 [0,0,0,0,0,0|2,0,1]=3 11 B10R0.3 CC(=CCCC(=O)CC#N)C 1458a_100051588842_100011217483 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [0,0,0,0,0,0|1,0,1]=2 13 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [0,0,0,0,0,0|2,0,1]=3 14 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [0,0,0,0,0,0|2,0,1]=3 15 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [0,0,0,0,0,0|1,0,1]=2 17 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [0,0,0,0,0,0|1,0,1]=2 18 B10R0.3 CC(=CCNC(=O)C=CBr)C 1626a_100000718196_100016273825 [0,0,0,0,0,0|3,0,1]=4 19 B10R0.3 CC(=CCNC(=O)C=CCl)C 11a_100000718196_200016279998 [0,0,0,0,0,0|3,0,1]=4 20 B10R0.3 CC(=CCNC(=O)C=CCl)C 1626a_100000718196_200016279998 [0,0,0,0,0,0|3,0,1]=4 21 B10R0.3 CC(=CCNC(=O)C=CI)C 1626a_100000718196_100016256311 [0,0,0,0,0,0|3,0,1]=4 22 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [0,0,0,0,0,0|1,0,2]=3 23 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 24 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [0,0,0,0,0,0|1,0,2]=3 25 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [0,0,0,0,0,0|2,0,2]=4 26 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [0,0,0,0,0,0|1,0,2]=3 27 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [0,0,0,0,0,0|1,0,2]=3 28 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [0,0,0,0,0,0|1,0,2]=3 29 B10R0.3 CC(=O)CCCC(=O)CCO 1458a_100011216618_100011215641 [0,0,0,0,0,0|2,0,2]=4 30 B10R0.3 CC(=O)CCCN(C)CCO 269982a_100000210263_100011215641 [0,0,0,0,0,0|2,0,2]=4 31 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100000183196_100000211926 [0,0,0,0,0,0|3,0,1]=4 32 B10R0.3 CC(=O)NCCC(=O)CCO 1458a_100011216618_100000189650 [0,0,0,0,0,0|3,0,1]=4 33 B10R0.3 CC(=O)NCCN(C)CCO 2230a_100000210263_100000189650 [0,0,0,0,0,0|3,0,1]=4 34 B10R0.3 CC(=O)NCCN(C)CCO 269982a_100000210263_100000189650 [0,0,0,0,0,0|3,0,1]=4 35 B10R0.3 CC(=O)OCCC(=O)CCO 1458a_100011216618_100009814007 [0,0,0,0,0,0|3,0,1]=4 36 B10R0.3 CC(=O)OCCN(C)CCO 269982a_100000210263_100009814007 [0,0,0,0,0,0|3,0,1]=4 37 B10R0.3 CC(=O)SCCC(=O)CCO 1458a_100000048949_100000211926 [0,0,0,0,0,0|3,0,1]=4 38 B10R0.3 CC(C)/C=C/CC(=O)CCO 1458a_100016292215_100000211926 [0,0,0,0,0,0|1,0,3]=4 39 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216618_100011214892 [0,0,0,0,0,0|1,0,3]=4 40 B10R0.3 CC(C)CCCC(=O)CCO 1458a_100011216857_100000211926 [0,0,0,0,0,0|1,0,3]=4 41 B10R0.3 CC(C)CCCN(C)CCO 2230a_100000210263_100011214892 [0,0,0,0,0,0|1,0,3]=4 42 B10R0.3 CC(C)CCCN(C)CCO 269982a_100000210263_100011214892 [0,0,0,0,0,0|1,0,3]=4 43 B10R0.3 CC(C)OCCC(=O)CCO 1458a_100011216618_100000211751 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.3 CC(C)OCCN(C)CCO 2230a_100000210263_100000211751 [0,0,0,0,0,0|2,0,2]=4 45 B10R0.3 CC(C)OCCN(C)CCO 269982a_100000210263_100000211751 [0,0,0,0,0,0|2,0,2]=4 46 B10R0.3 CC(C)SCCC(=O)CCO 1458a_100011216618_100000730970 [0,0,0,0,0,0|2,0,2]=4 47 B10R0.3 CC(C)SCCN(C)CCO 2230a_100000210263_100000730970 [0,0,0,0,0,0|2,0,2]=4 48 B10R0.3 CC(C)SCCN(C)CCO 269982a_100000210263_100000730970 [0,0,0,0,0,0|2,0,2]=4 49 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,0,0,0,0,0|2,0,1]=3 50 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,0,0,0,0,0|3,0,1]=4 51 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,0,0,0,0,0|3,0,1]=4 52 B10R0.3 CCCC(=O)CCC=C(C)C 1458a_100000211992_100011217483 [0,0,0,0,0,0|2,0,1]=3 53 B10R0.3 CCCC(=O)NCC=C(C)C 11a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 54 B10R0.3 CCCC(=O)NCC=C(C)C 1626a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 55 B10R0.3 CCCC(=O)NCC=C(C)C 527a_100000718196_100000211992 [0,0,0,0,0,0|3,0,1]=4 56 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [0,0,0,0,0,0|2,0,2]=4 57 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [0,0,0,0,0,0|2,0,2]=4 58 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [0,0,0,0,0,0|2,0,2]=4 59 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [0,0,0,0,0,0|2,0,2]=4 60 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [0,0,0,0,0,0|2,0,2]=4 61 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [0,0,0,0,0,0|2,0,2]=4 62 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [0,0,0,0,0,0|2,0,2]=4 63 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [0,0,0,0,0,0|2,0,2]=4 64 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [0,0,0,0,0,0|2,0,1]=3 65 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [0,0,0,0,0,0|2,0,1]=3 66 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100000718196_100015525214 [0,0,0,0,0,0|4,0,0]=4 67 B10R0.3 CCNC(=O)NCC=C(C)C 2708a_100015525214_100000718196 [0,0,0,0,0,0|4,0,0]=4 68 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100000718196_100015525214 [0,0,0,0,0,0|4,0,0]=4 69 B10R0.3 CCNC(=O)NCC=C(C)C 273464a_100015525214_100000718196 [0,0,0,0,0,0|4,0,0]=4 70 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100000718196_100015525214 [0,0,0,0,0,0|4,0,0]=4 71 B10R0.3 CCNC(=O)NCC=C(C)C 512a_100015525214_100000718196 [0,0,0,0,0,0|4,0,0]=4 72 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [0,0,0,0,0,0|2,0,1]=3 73 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [0,0,0,0,0,0|2,0,1]=3 74 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [0,0,0,0,0,0|2,0,1]=3 75 B10R0.3 CN(C)CCCC(=O)CCO 1458a_100011216618_100000695564 [0,0,0,0,0,0|2,0,2]=4 76 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000210263_100000757444 [0,0,0,0,0,0|2,0,2]=4 77 B10R0.3 CN(C)CCCN(C)CCO 269982a_100000225831_100000211926 [0,0,0,0,0,0|2,0,2]=4 78 B10R0.3 CN(CCO)CCC=C(F)F 2230a_100000210263_200009816681 [0,0,0,0,0,0|3,0,1]=4 79 B10R0.3 CN(CCO)CCC=C(F)F 269982a_100000210263_200009816681 [0,0,0,0,0,0|3,0,1]=4 80 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [0,0,0,0,0,0|2,0,2]=4 81 B10R0.3 COCC(=O)CCC=C(C)C 1458a_100000210968_100011217483 [0,0,0,0,0,0|3,0,1]=4 82 B10R0.3 CSCC(=O)CCC=C(C)C 1458a_100000184570_100011217483 [0,0,0,0,0,0|3,0,1]=4 83 B10R0.3 O=C(CCO)CCC=C(F)F 1458a_100011216618_200009816681 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.1 C#CC(=O)CCC=C(C)C 1458a_100000211873_100011217483 [1,0,0,0,0,0|1,0,2]=4 85 B9R0.1 C=CC(=O)CCC=C(C)C 1458a_100000185746_100011217483 [1,0,0,0,0,0|1,0,1]=3 86 B9R0.1 C=CC(=O)NCC=C(C)C 1626a_100000718196_100000185746 [1,0,0,0,0,0|2,0,1]=4 87 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [1,0,0,0,0,0|1,0,2]=4 88 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [1,0,0,0,0,0|1,0,2]=4 89 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [1,0,0,0,0,0|1,0,0]=2 90 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 91 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [1,0,0,0,0,0|1,0,1]=3 92 B9R0.1 CC(=CCNC(=O)CO)C 527a_100000718196_100000210174 [1,0,0,0,0,0|2,0,0]=3 93 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [1,0,0,0,0,0|1,0,1]=3 94 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [1,0,0,0,0,0|1,0,1]=3 95 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [1,0,0,0,0,0|2,0,1]=4 96 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [1,0,0,0,0,0|2,0,1]=4 97 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [1,0,0,0,0,0|2,0,1]=4 98 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [1,0,0,0,0,0|1,0,1]=3 99 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [1,0,0,0,0,0|1,0,1]=3 100 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [1,0,0,0,0,0|1,0,1]=3 101 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [1,0,0,0,0,0|1,0,1]=3 102 B9R0.1 CC(=O)CCCC(=O)CO 1458a_100000210174_100011215641 [1,0,0,0,0,0|2,0,1]=4 103 B9R0.1 CC(=O)NCCC(=O)CO 1458a_100000210174_100000189650 [1,0,0,0,0,0|3,0,0]=4 104 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [1,0,0,0,0,0|2,0,1]=4 105 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [1,0,0,0,0,0|2,0,1]=4 106 B9R0.1 CC(=O)OCCC(=O)CO 1458a_100000210174_100009814007 [1,0,0,0,0,0|3,0,0]=4 107 B9R0.1 CC(C)CCCC(=O)CO 1458a_100000210174_100011214892 [1,0,0,0,0,0|1,0,2]=4 108 B9R0.1 CC(C)OCCC(=O)CO 1458a_100000210174_100000211751 [1,0,0,0,0,0|2,0,1]=4 109 B9R0.1 CC(C)SCCC(=O)CO 1458a_100000210174_100000730970 [1,0,0,0,0,0|2,0,1]=4 110 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [1,0,0,0,0,0|1,0,2]=4 111 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [1,0,0,0,0,0|1,0,2]=4 112 B9R0.1 CCC(=O)CCC=C(C)C 1458a_100000210414_100011217483 [1,0,0,0,0,0|1,0,1]=3 113 B9R0.1 CCC(=O)NCC=C(C)C 11a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 114 B9R0.1 CCC(=O)NCC=C(C)C 1626a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 115 B9R0.1 CCC(=O)NCC=C(C)C 527a_100000718196_100000210414 [1,0,0,0,0,0|2,0,1]=4 116 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [1,0,0,0,0,0|1,0,2]=4 117 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [1,0,0,0,0,0|1,0,2]=4 118 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [1,0,0,0,0,0|1,0,2]=4 119 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [1,0,0,0,0,0|1,0,2]=4 120 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [1,0,0,0,0,0|1,0,2]=4 121 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [1,0,0,0,0,0|1,0,2]=4 122 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [1,0,0,0,0,0|1,0,1]=3 123 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [1,0,0,0,0,0|1,0,1]=3 124 B9R0.1 CN(C)CCCC(=O)CO 1458a_100000210174_100000695564 [1,0,0,0,0,0|2,0,1]=4 125 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100000718196_106832991635 [1,0,0,0,0,0|3,0,0]=4 126 B9R0.1 CNC(=O)NCC=C(C)C 2708a_100102657272_100000718196 [1,0,0,0,0,0|3,0,0]=4 127 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100000718196_100102657272 [1,0,0,0,0,0|3,0,0]=4 128 B9R0.1 CNC(=O)NCC=C(C)C 273464a_100102657272_100000718196 [1,0,0,0,0,0|3,0,0]=4 129 B9R0.1 CNC(=O)NCC=C(C)C 512a_100000718196_100102657272 [1,0,0,0,0,0|3,0,0]=4 130 B9R0.1 CNC(=O)NCC=C(C)C 512a_106832991638_100000718196 [1,0,0,0,0,0|3,0,0]=4 131 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [1,0,0,0,0,0|1,0,1]=3 132 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 133 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [1,0,0,0,0,0|1,0,1]=3 134 B9R0.1 COC(C)SCC=C(C)C 62a_100000761012_100009879195 [1,0,0,0,0,0|2,0,1]=4 135 B9R0.1 COC(C)SCC=C(C)C 62a_100009879195_100000761012 [1,0,0,0,0,0|2,0,1]=4 136 B9R0.1 O=C(CO)CCC=C(F)F 1458a_100000210174_200009816681 [1,0,0,0,0,0|3,0,0]=4 137 B9R0.2 CC(=CCCNCCF)C 34a_100000724931_100011217483 [1,0,0,0,0,0|2,0,1]=4 138 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [1,0,0,0,0,0|1,0,1]=3 139 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [1,0,0,0,0,0|1,0,1]=3 140 B9R0.2 CC(=CCCOCCBr)C 34a_100000211926_100011217483 [1,0,0,0,0,0|2,0,1]=4 141 B9R0.2 CC(=CCCOCCN)C 34a_100000210304_100011217483 [1,0,0,0,0,0|2,0,1]=4 142 B9R0.2 CC(=CCCSCCF)C 62a_100011217306_100011217483 [1,0,0,0,0,0|2,0,1]=4 143 B9R0.2 CC(=CCCSCCF)C 62a_100011217483_100011217306 [1,0,0,0,0,0|2,0,1]=4 144 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [1,0,0,0,0,0|1,0,1]=3 145 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [1,0,0,0,0,0|1,0,1]=3 146 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [1,0,0,0,0,0|1,0,2]=4 147 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [1,0,0,0,0,0|1,0,2]=4 148 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [1,0,0,0,0,0|1,0,2]=4 149 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [1,0,0,0,0,0|1,0,2]=4 150 B9R0.2 CC/C=C\CCNC(C)C 2230a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 151 B9R0.2 CC/C=C\CCNC(C)C 34a_100138425928_100015370543 [1,0,0,0,0,0|2,0,1]=4 152 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [1,0,0,0,0,0|2,0,1]=4 153 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [1,0,0,0,0,0|2,0,1]=4 154 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [1,0,0,0,0,0|2,0,1]=4 155 B9R0.2 CC/C=C\CCSC(C)C 62a_100000210206_100015370543 [1,0,0,0,0,0|2,0,1]=4 156 B9R0.2 CC/C=C\CCSC(C)C 62a_100015370543_100000210206 [1,0,0,0,0,0|2,0,1]=4 157 B9R0.2 CCCOCCC=C(C)C 34a_100000210258_100011217483 [1,0,0,0,0,0|2,0,1]=4 158 B9R0.2 CCCSCCC=C(C)C 62a_100000210303_100011217483 [1,0,0,0,0,0|2,0,1]=4 159 B9R0.2 CCCSCCC=C(C)C 62a_100011217483_100000210303 [1,0,0,0,0,0|2,0,1]=4 160 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [1,0,0,0,0,0|1,0,2]=4 161 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [1,0,0,0,0,0|1,0,2]=4 162 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [1,0,0,0,0,0|1,0,2]=4 163 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [1,0,0,0,0,0|1,0,2]=4 164 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 165 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [1,0,0,0,0,0|1,0,2]=4 166 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [1,0,0,0,0,0|1,0,2]=4 167 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [1,0,0,0,0,0|1,0,2]=4 168 B11R0.1 CC(=CC(=O)CC(=O)NCO)C 1458a_100000211388_100000185155 [0,1,0,0,0,0|2,0,1]=4 169 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [0,1,0,0,0,0|1,0,2]=4 170 B11R0.6 CC(=CCCC(=CC(=O)[13CH3])C)C 1458a_100016995320_200025704644 [0,1,0,0,0,0|0,0,2]=3 171 B11R0.6 CC(=CCCC(=O)C=C(C)C)C 1458a_100000211388_100011217483 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.6 CC(=CCCC(=O)C=C(C)Cl)C 1458a_200042562850_100011217483 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.6 CC(=CCCC(=O)C=C(C)I)C 1458a_100025716642_100011217483 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.6 CC(=CCCC(=O)C=C(Cl)Cl)C 1458a_100000137448_100011217483 [0,1,0,0,0,0|2,0,1]=4 175 B11R0.6 CC(=CCCC(=O)CC(C)C)C 1458a_100000210554_100011217483 [0,1,0,0,0,0|2,0,1]=4 176 B11R0.6 CC(=CCCC(=O)C[C@@H](C)O)C 1458a_100011933948_100011217483 [0,1,0,0,0,0|1,0,1]=3 177 B11R0.6 CC(=CCCC(C)OC(C)C)C 34a_100102619829_100000210206 [0,1,0,0,0,0|2,0,1]=4 178 B11R0.6 CC(=CCCC(C)OC(C)C)C 7a_100102619829_100000210206 [0,1,0,0,0,0|2,0,1]=4 179 B11R0.6 CC(=CCCN(C)CC(=O)O)C 269956a_100000746989_100011217483 [0,1,0,0,0,0|1,0,2]=4 180 B11R0.6 CC(=CCCN(C)CC(C)C)C 2230a_100000747067_100011217483 [0,1,0,0,0,0|2,0,1]=4 181 B11R0.6 CC(=CCCN(C)CC(C)C)C 269982a_100000747067_100011217483 [0,1,0,0,0,0|2,0,1]=4 182 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,1,0,0,0,0|1,0,1]=3 183 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,1,0,0,0,0|1,0,1]=3 184 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,1,0,0,0,0|0,0,2]=3 185 B11R0.45 CCCN(CC)CCC=C(C)C 2230a_100000226822_100011217483 [0,1,0,0,0,0|2,0,1]=4 186 B11R0.45 CCCN(CC)CCC=C(C)C 269982a_100000226822_100011217483 [0,1,0,0,0,0|2,0,1]=4 187 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [0,1,0,0,0,0|1,0,1]=3 188 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [0,1,0,0,0,0|1,0,1]=3 189 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [0,1,0,0,0,0|0,0,3]=4 190 B11R0.59 CC(=CCC(=O)N(C)CCO)C 240690a_100000210263_100011220947 [0,1,0,0,0,0|1,0,2]=4 191 B11R0.59 CC(=CCC(=O)N(C)CCO)C 527a_100000210263_100011220947 [0,1,0,0,0,0|1,0,2]=4 192 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 193 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [0,1,0,0,0,0|1,0,2]=4 194 B11R0.59 CC/C=C(\C)/C(=O)CC=C(C)C 1458a_100016988807_100000761012 [0,1,0,0,0,0|1,0,1]=3 195 B11R0.141 CN(C)C(=O)CCC(=O)CCO 1458a_100011200748_100000211926 [0,1,0,0,0,0|2,0,1]=4 196 B11R0.141 CN(CCO)CCC(=O)N(C)C 2230a_100000210263_100000737620 [0,1,0,0,0,0|2,0,1]=4 197 B11R0.141 CN(CCO)CCC(=O)N(C)C 269982a_100000210263_100000737620 [0,1,0,0,0,0|2,0,1]=4 198 B11R0.145 C/C=C(\C)/C(=O)CCC=C(C)C 1458a_100020587367_100011217483 [0,1,0,0,0,0|2,0,1]=4 199 B11R0.145 CC(=CCCC(=O)C(O)CO)C 1458a_100011215603_100011217483 [0,1,0,0,0,0|1,0,1]=3 200 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [0,1,0,0,0,0|1,0,1]=3 201 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [0,1,0,0,0,0|1,0,1]=3 202 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000742827_100000761012 [0,1,0,0,0,0|2,0,1]=4 203 B11R0.145 CCC(=O)C(C)SCC=C(C)C 62a_100000761012_100000742827 [0,1,0,0,0,0|2,0,1]=4 204 B11R0.145 CCC(C)C(=O)CCC=C(C)C 1458a_100011192722_100011217483 [0,1,0,0,0,0|2,0,1]=4 205 B11R0.145 CCC(C)N(C)CCC=C(C)C 2230a_100000741768_100011217483 [0,1,0,0,0,0|2,0,1]=4 206 B11R0.145 CCC(C)N(C)CCC=C(C)C 269982a_100000741768_100011217483 [0,1,0,0,0,0|2,0,1]=4 207 B11R0.145 CCC(O)C(=O)CCC=C(C)C 1458a_100011196387_100011217483 [0,1,0,0,0,0|2,0,1]=4 208 B11R0.145 CN(C)CCCN(C)C(=O)CO 240690a_100000225831_100000210174 [0,1,0,0,0,0|2,0,1]=4 209 B11R0.145 CNC(=O)C(=O)CCC=C(C)C 1458a_100011218921_100011217483 [0,1,0,0,0,0|3,0,0]=4 210 B11R0.147 C#CCCC(=O)CCC=C(C)C 1458a_100000692101_100011217483 [0,1,0,0,0,0|2,0,1]=4 211 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [0,1,0,0,0,0|2,0,1]=4 212 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [0,1,0,0,0,0|2,0,1]=4 213 B11R0.147 C=CC=CC(=O)CCC=C(C)C 1458a_100016291481_100011217483 [0,1,0,0,0,0|2,0,1]=4 214 B11R0.147 C=CCCC(=O)CCC=C(C)C 1458a_100000749702_100011217483 [0,1,0,0,0,0|2,0,1]=4 215 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [0,1,0,0,0,0|2,0,1]=4 216 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [0,1,0,0,0,0|2,0,1]=4 217 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [0,1,0,0,0,0|2,0,1]=4 218 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [0,1,0,0,0,0|2,0,1]=4 219 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [0,1,0,0,0,0|2,0,1]=4 220 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 2230a_200020676162_200025704644 [0,1,0,0,0,0|1,0,0]=2 221 B11R0.147 CC(=CCC/C(=C/CN[13CH3])/C)C 34a_200020676162_200025704644 [0,1,0,0,0,0|1,0,0]=2 222 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_100016991246_200025704644 [0,1,0,0,0,0|0,1,0]=2 223 B11R0.147 CC(=CCC/C(=C/CS[13CH3])/C)C 62a_200025704644_100016991246 [0,1,0,0,0,0|0,1,0]=2 224 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 34a_100016990311_200025704644 [0,1,0,0,0,0|0,0,0]=1 225 B11R0.147 CC(=CCC/C(=C\CO[13CH3])/C)C 7a_100016990311_200025704644 [0,1,0,0,0,0|0,0,0]=1 226 B11R0.147 CC(=CCCC(=O)C#CCO)C 1458a_100000049017_100011217483 [0,1,0,0,0,0|1,0,1]=3 227 B11R0.147 CC(=CCCC(=O)CCC#N)C 1458a_100011934036_100011217483 [0,1,0,0,0,0|2,0,1]=4 228 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 229 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [0,1,0,0,0,0|0,0,2]=3 230 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [0,1,0,0,0,0|0,1,2]=4 231 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [0,1,0,0,0,0|0,1,2]=4 232 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [0,1,0,0,0,0|0,0,2]=3 233 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [0,1,0,0,0,0|2,0,1]=4 234 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [0,1,0,0,0,0|1,0,2]=4 235 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [0,1,0,0,0,0|1,0,2]=4 236 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [0,1,0,0,0,0|1,0,2]=4 237 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [0,1,0,0,0,0|1,0,2]=4 238 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 239 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [0,1,0,0,0,0|0,0,2]=3 240 B11R0.147 CC(=CCCN(C)CCC#N)C 2230a_100000184479_100011217483 [0,1,0,0,0,0|2,0,1]=4 241 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [0,1,0,0,0,0|1,0,1]=3 242 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [0,1,0,0,0,0|1,0,1]=3 243 B11R0.147 CC(=CCNC(=O)NCCO)C 2708a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 244 B11R0.147 CC(=CCNC(=O)NCCO)C 273464a_100000210304_100000718196 [0,1,0,0,0,0|2,0,1]=4 245 B11R0.147 CC(=CCNC(=O)NCCO)C 273464a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 246 B11R0.147 CC(=CCNC(=O)NCCO)C 512a_100000718196_100000210304 [0,1,0,0,0,0|2,0,1]=4 247 B11R0.147 CC=CCC(=O)CCC=C(C)C 1458a_100121576822_100011217483 [0,1,0,0,0,0|2,0,1]=4 248 B11R0.147 CCC#CC(=O)CCC=C(C)C 1458a_100011827653_100011217483 [0,1,0,0,0,0|2,0,1]=4 249 B11R0.147 CCC=CC(=O)CCC=C(C)C 1458a_100000212282_100011217483 [0,1,0,0,0,0|2,0,0]=3 250 B11R0.147 CCC=CC(=O)NCC=C(C)C 11a_100000718196_100000212282 [0,1,0,0,0,0|3,0,0]=4 251 B11R0.147 CCC=CC(=O)NCC=C(C)C 1626a_100000718196_100000212282 [0,1,0,0,0,0|3,0,0]=4 252 B11R0.147 CCCCC(=O)CCC=C(C)C 1458a_100000210183_100011217483 [0,1,0,0,0,0|2,0,1]=4 253 B11R0.147 CCCCN(C)CCC=C(C)C 2230a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 254 B11R0.147 CCCCN(C)CCC=C(C)C 269982a_100000207549_100011217483 [0,1,0,0,0,0|2,0,1]=4 255 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [0,1,0,0,0,0|1,0,2]=4 256 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [0,1,0,0,0,0|1,0,2]=4 257 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [0,1,0,0,0,0|1,0,2]=4 258 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [0,1,0,0,0,0|1,0,2]=4 259 B11R0.147 CCNN=C(C)CCC=C(C)C 4a_100000756455_100000765506 [0,1,0,0,0,0|2,0,0]=3 260 B11R0.147 CCOCC(=O)CCC=C(C)C 1458a_100000211967_100011217483 [0,1,0,0,0,0|2,0,1]=4 261 B11R0.147 CCSCC(=O)CCC=C(C)C 1458a_100000230394_100011217483 [0,1,0,0,0,0|2,0,1]=4 262 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_106832991635_100016991246 [0,1,0,0,0,0|1,0,0]=2 263 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_200000210301 [0,1,0,0,0,0|1,0,0]=2 264 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_100102657272_100016991246 [0,1,0,0,0,0|1,0,0]=2 265 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 34a_200020676162_200000210301 [0,1,0,0,0,0|1,0,0]=2 266 B11R0.147 CNC/C=C(\C)/CCC=C(C)C 7a_106832991635_100016991246 [0,1,0,0,0,0|1,0,0]=2 267 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [0,1,0,0,0,0|1,0,2]=4 268 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [0,1,0,0,0,0|1,0,2]=4 269 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [0,1,0,0,0,0|1,0,2]=4 270 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [0,1,0,0,0,0|1,0,2]=4 271 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [0,1,0,0,0,0|1,0,2]=4 272 B11R0.147 COC/C=C(/C)\CCC=C(C)C 34a_100016990311_200000210301 [0,1,0,0,0,0|0,0,0]=1 273 B11R0.147 COC/C=C(/C)\CCC=C(C)C 7a_100016990311_200000210301 [0,1,0,0,0,0|0,0,0]=1 274 B11R0.147 COC/C=C(\C)/CCC=C(C)C 34a_100138415774_100016991246 [0,1,0,0,0,0|0,0,0]=1 275 B11R0.147 COC=CC(=O)CCC=C(C)C 1458a_100016268678_100011217483 [0,1,0,0,0,0|1,0,1]=3 276 B11R0.147 COC=CC(=O)NCC=C(C)C 1626a_100000718196_100016268678 [0,1,0,0,0,0|2,0,1]=4 277 B11R0.147 COCCC(=O)CCC=C(C)C 1458a_100000749529_100011217483 [0,1,0,0,0,0|1,0,1]=3 278 B11R0.147 COCCC(=O)NCC=C(C)C 11a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 279 B11R0.147 COCCC(=O)NCC=C(C)C 1626a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 280 B11R0.147 COCCC(=O)NCC=C(C)C 527a_100000718196_100000749529 [0,1,0,0,0,0|2,0,1]=4 281 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 282 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [0,1,0,0,0,0|0,0,2]=3 283 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [0,1,0,0,0,0|0,0,2]=3 284 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [0,1,0,0,0,0|1,0,2]=4 285 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [0,1,0,0,0,0|1,0,1]=3 286 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [0,1,0,0,0,0|1,0,1]=3 287 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_100016991246_200000210301 [0,1,0,0,0,0|0,1,0]=2 288 B11R0.147 CSC/C=C(\C)/CCC=C(C)C 62a_200000210301_100016991246 [0,1,0,0,0,0|0,1,0]=2 289 B11R0.147 CSCCC(=O)CCC=C(C)C 1458a_100000174002_100011217483 [0,1,0,0,0,0|1,1,1]=4 290 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [0,1,0,0,0,0|0,1,2]=4 291 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [0,1,0,0,0,0|0,1,2]=4 292 B11R0.147 CSCCN(C)CCC=C(C)C 2230a_100000686725_100011217483 [0,1,0,0,0,0|1,1,1]=4 293 B11R0.147 CSCCN(C)CCC=C(C)C 269982a_100000686725_100011217483 [0,1,0,0,0,0|1,1,1]=4 294 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [0,1,0,0,0,0|1,1,1]=4 295 B11R1.154 CC(=CCCN1CC(C1)C)C 2230a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 296 B11R1.154 CC(=CCCN1CC(C1)C)C 269982a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 297 B11R1.154 CC(=CCCN1CC(C1)C)C 34a_100000702820_100011217483 [0,0,0,1,0,0|2,0,1]=4 298 B11R1.154 CC(=CCCN1CC(C1)F)C 2230a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 299 B11R1.154 CC(=CCCN1CC(C1)F)C 269982a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 300 B11R1.154 CC(=CCCN1CC(C1)F)C 34a_100000690557_100011217483 [0,0,0,1,0,0|2,0,1]=4 301 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [0,0,0,1,0,0|1,0,1]=3 302 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [0,0,0,1,0,0|1,0,2]=4 303 B11R1.172 CC(=CCCN1CCCC1)C 2230a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 304 B11R1.172 CC(=CCCN1CCCC1)C 269982a_100000188435_100011217483 [0,0,0,1,0,0|2,0,1]=4 305 B11R1.172 CC(=CCCN1CCSC1)C 2230a_100011215254_100011217483 [0,0,0,1,0,0|1,1,1]=4 306 B11R1.172 CC(=CCCN1CCSC1)C 269982a_100011215254_100011217483 [0,0,0,1,0,0|1,1,1]=4 307 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [0,0,0,1,0,0|1,0,2]=4 308 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [0,0,0,1,0,0|1,0,2]=4 309 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [0,0,0,1,0,0|1,0,2]=4 310 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 311 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [0,0,0,1,0,0|1,0,2]=4 312 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [0,0,0,1,0,0|1,0,2]=4 313 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [0,0,0,1,0,0|1,0,2]=4 314 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [0,0,0,1,0,0|1,0,2]=4 315 B11R1.172 CC(=CCSc1ccoc1)C 62a_100000761012_100011215275 [0,0,0,1,0,0|1,0,2]=4 316 B11R1.172 CC(=CCSc1ccoc1)C 62a_100011215275_100000761012 [0,0,0,1,0,0|1,0,2]=4 317 B11R1.172 CC(=CCSc1ccon1)C 62a_100000761012_100009818083 [0,0,0,1,0,0|2,0,1]=4 318 B11R1.172 CC(=CCSc1ccon1)C 62a_100009818083_100000761012 [0,0,0,1,0,0|2,0,1]=4 319 B11R1.172 CC(=CCSc1cnoc1)C 62a_100000761012_100009815712 [0,0,0,1,0,0|2,0,1]=4 320 B11R1.172 CC(=CCSc1cnoc1)C 62a_100009815712_100000761012 [0,0,0,1,0,0|2,0,1]=4 321 B11R1.720 CC(=CCCC(=O)C1CC1)C 1458a_100000210395_100011217483 [0,0,0,1,0,0|2,0,1]=4 322 B11R1.720 CC(=CCCC(=O)C1CO1)C 1458a_100000701028_100011217483 [0,0,0,1,0,0|1,0,1]=3 323 B11R1.720 CC(=CCCN(C)C1CC1)C 2230a_100000226674_100011217483 [0,0,0,1,0,0|2,0,1]=4 324 B11R1.720 CC(=CCCN(C)C1CC1)C 269982a_100000226674_100011217483 [0,0,0,1,0,0|2,0,1]=4 325 B11R1.720 CC(=CCNC(=O)C1CO1)C 11a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 326 B11R1.720 CC(=CCNC(=O)C1CO1)C 1626a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 327 B11R1.720 CC(=CCNC(=O)C1CO1)C 527a_100000718196_100000701028 [0,0,0,1,0,0|2,0,1]=4 328 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [0,0,0,1,0,0|1,0,2]=4 329 B9R0.48 C=C(C)CCC(=O)CCO 1458a_100011216618_100000730704 [0,0,0,0,1,0|1,0,2]=4 330 B9R0.48 C=C(C)CCC(=O)CCO 1458a_200000688413_100000211926 [0,0,0,0,1,0|1,0,2]=4 331 B9R0.48 C=C(C)CCN(C)CCO 2230a_100000210263_100000730704 [0,0,0,0,1,0|1,0,2]=4 332 B9R0.48 C=C(C)CCN(C)CCO 269982a_100000210263_100000730704 [0,0,0,0,1,0|1,0,2]=4 333 B9R0.48 CC(=CCC(=O)C=CBr)C 1458a_100016273825_100000761012 [0,0,0,0,1,0|2,0,1]=4 334 B9R0.48 CC(=CCC(=O)C=CCl)C 1458a_200016279998_100000761012 [0,0,0,0,1,0|2,0,1]=4 335 B9R0.48 CC(=CCC(=O)C=CI)C 1458a_100016256311_100000761012 [0,0,0,0,1,0|2,0,1]=4 336 B9R0.48 CC(=CCC(=O)CCF)C 1458a_100011220947_100011217306 [0,0,0,0,1,0|2,0,1]=4 337 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011216618_100000761012 [0,0,0,0,1,0|1,0,1]=3 338 B9R0.48 CC(=CCC(=O)CCO)C 1458a_100011220947_100000211926 [0,0,0,0,1,0|1,0,1]=3 339 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [0,0,0,0,1,0|1,0,1]=3 340 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [0,0,0,0,1,0|1,0,1]=3 341 B9R0.48 CC(=O)CCN(C)CCO 269982a_100000210263_100000053229 [0,0,0,0,1,0|2,0,1]=4 342 B9R0.48 CC(C)CCC(=O)CCO 1458a_100000181311_100000211926 [0,0,0,0,1,0|1,0,2]=4 343 B9R0.48 CC(C)CCC(=O)CCO 1458a_100011216618_100000210312 [0,0,0,0,1,0|1,0,2]=4 344 B9R0.48 CC(C)CCN(C)CCO 2230a_100000210263_100000210312 [0,0,0,0,1,0|1,0,2]=4 345 B9R0.48 CC(C)CCN(C)CCO 2230a_100000742789_100000211926 [0,0,0,0,1,0|1,0,2]=4 346 B9R0.48 CC(C)CCN(C)CCO 269982a_100000210263_100000210312 [0,0,0,0,1,0|1,0,2]=4 347 B9R0.48 CC(C)CCN(C)CCO 269982a_100000742789_100000211926 [0,0,0,0,1,0|1,0,2]=4 348 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [0,0,0,0,1,0|2,0,1]=4 349 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100000211992_100000761012 [0,0,0,0,1,0|2,0,1]=4 350 B9R0.48 CCCC(=O)CC=C(C)C 1458a_100011220947_100000210303 [0,0,0,0,1,0|2,0,1]=4 351 B9R0.48 CCCN(C)CC=C(C)C 2230a_100000747261_100000761012 [0,0,0,0,1,0|2,0,1]=4 352 B9R0.48 CCCN(C)CC=C(C)C 269982a_100000747261_100000761012 [0,0,0,0,1,0|2,0,1]=4 353 B9R0.48 CCNC(=O)CC=C(C)C 11a_100015525214_100011220947 [0,0,0,0,1,0|3,0,0]=4 354 B9R0.48 CCNC(=O)CC=C(C)C 240690a_100015525214_100011220947 [0,0,0,0,1,0|3,0,0]=4 355 B9R0.48 CCNC(=O)CC=C(C)C 527a_100015525214_100011220947 [0,0,0,0,1,0|3,0,0]=4 356 B9R0.48 CN(C)CCN(C)CCO 269982a_100000210263_100000755713 [0,0,0,0,1,0|2,0,1]=4 357 B9R0.48 CN(C)CCN(C)CCO 269982a_100000225618_100000211926 [0,0,0,0,1,0|2,0,1]=4 358 B9R0.48 C[S+](C)CCC(=O)CCO 1458a_100009452791_100000211926 [0,0,0,0,1,0|2,0,1]=4 359 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [0,0,0,0,0,1|1,0,2]=4 360 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 361 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [0,0,0,0,0,1|0,0,2]=3 362 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [0,0,0,0,0,1|1,0,2]=4 363 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [0,0,0,0,0,1|0,0,2]=3 364 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [0,0,0,0,0,1|0,0,2]=3 365 B11R0.176 CC(=CCNCC(=O)NCO)C 34a_100000718196_100000185155 [0,0,0,0,0,1|2,0,0]=3 366 B11R0.176 CC(=CCOCC(=O)NCO)C 34a_100000753907_100000185155 [0,0,0,0,0,1|2,0,0]=3 367 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [0,0,0,0,0,1|1,0,2]=4 368 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000185155_100000761012 [0,0,0,0,0,1|2,0,0]=3 369 B11R0.176 CC(=CCSCC(=O)NCO)C 62a_100000761012_100000185155 [0,0,0,0,0,1|2,0,0]=3 370 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000747444_100000761012 [0,0,0,0,0,1|2,0,1]=4 371 B11R0.176 CCCC(=O)CSCC=C(C)C 62a_100000761012_100000747444 [0,0,0,0,0,1|2,0,1]=4 372 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [0,0,0,0,0,1|1,0,2]=4 373 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [0,0,0,0,0,1|1,0,2]=4 374 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [0,0,0,0,0,1|1,0,2]=4 375 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [0,0,0,0,0,1|1,0,2]=4 376 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [0,0,0,0,0,1|1,0,2]=4 377 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [0,0,0,0,0,1|1,0,2]=4 378 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [0,0,0,0,0,1|1,0,2]=4 379 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [0,0,0,0,0,1|1,0,2]=4 380 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 381 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [0,0,0,0,0,1|1,0,2]=4 382 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [0,0,0,0,0,1|1,0,2]=4 383 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [0,0,0,0,0,1|1,0,2]=4 384 B11R0.176 CCNC(=O)CNCC=C(C)C 2230a_100016988866_100000761012 [0,0,0,0,0,1|3,0,0]=4 385 B11R0.176 CCNC(=O)CNCC=C(C)C 34a_100000718196_100000183381 [0,0,0,0,0,1|3,0,0]=4 386 B11R0.176 CCNC(=O)COCC=C(C)C 34a_100000753907_100000183381 [0,0,0,0,0,1|3,0,0]=4 387 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000183381_100000761012 [0,0,0,0,0,1|3,0,0]=4 388 B11R0.176 CCNC(=O)CSCC=C(C)C 62a_100000761012_100000183381 [0,0,0,0,0,1|3,0,0]=4 389 B11R0.176 CCOC(=O)CNCC=C(C)C 34a_100000718196_100000188475 [0,0,0,0,0,1|3,0,0]=4 390 B11R0.176 CCOC(=O)COCC=C(C)C 34a_100000753907_100000188475 [0,0,0,0,0,1|3,0,0]=4 391 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000188475_100000761012 [0,0,0,0,0,1|3,0,0]=4 392 B11R0.176 CCOC(=O)CSCC=C(C)C 62a_100000761012_100000188475 [0,0,0,0,0,1|3,0,0]=4 393 B8R0.6 C/C=C/COC(C)CO 34a_100016270725_100012180447 [2,0,0,0,0,0|1,0,1]=4 394 B8R0.6 C/C=C/CSC(C)CO 62a_100012180447_100102629194 [2,0,0,0,0,0|1,0,1]=4 395 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100016084084_100102629194 [2,0,0,0,0,0|1,0,1]=4 396 B8R0.6 C/C=C/CS[C@H](C)CO 62a_100102629194_100016084084 [2,0,0,0,0,0|1,0,1]=4 397 B8R0.6 CC=CCN[C@H](C)CO 2230a_100000737577_100000070051 [2,0,0,0,0,0|1,0,1]=4 398 B8R0.6 CC=CCSC(C)CO 62a_100012180447_100000070051 [2,0,0,0,0,0|1,0,1]=4 399 B8R0.6 CC=CCS[C@H](C)CO 62a_100000070051_100016084084 [2,0,0,0,0,0|1,0,1]=4 400 B8R0.6 CC=CCS[C@H](C)CO 62a_100016084084_100000070051 [2,0,0,0,0,0|1,0,1]=4 401 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [2,0,0,0,0,0|1,0,1]=4 402 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [2,0,0,0,0,0|2,0,0]=4 403 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [2,0,0,0,0,0|2,0,0]=4 404 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [2,0,0,0,0,0|1,0,1]=4 405 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [2,0,0,0,0,0|1,0,1]=4 406 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [2,0,0,0,0,0|1,0,1]=4 407 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [2,0,0,0,0,0|1,0,1]=4 408 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [2,0,0,0,0,0|1,0,1]=4 409 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [2,0,0,0,0,0|1,0,1]=4 410 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [2,0,0,0,0,0|2,0,0]=4 411 B8R0.7 CC/C=C\CCN(C)C 2230a_100102631434_100015370543 [2,0,0,0,0,0|2,0,0]=4 412 B8R0.7 CC/C=C\CCN(C)C 269982a_100102631434_100015370543 [2,0,0,0,0,0|2,0,0]=4 413 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [2,0,0,0,0,0|1,0,1]=4 414 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [2,0,0,0,0,0|1,0,1]=4 415 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [2,0,0,0,0,0|1,0,1]=4 416 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [2,0,0,0,0,0|1,0,1]=4 417 B8R0.28 C=C(C)CCNC(C)C 2230a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 418 B8R0.28 C=C(C)CCNC(C)C 34a_100138425928_100000730704 [2,0,0,0,0,0|1,0,1]=4 419 B8R0.28 C=C(C)CCOC(C)C 34a_100000212225_100000730704 [2,0,0,0,0,0|1,0,1]=4 420 B8R0.28 C=C(C)CCOC(C)C 34a_100000764851_100000210206 [2,0,0,0,0,0|1,0,1]=4 421 B8R0.28 C=C(C)CCSC(C)C 62a_100000210206_100000730704 [2,0,0,0,0,0|1,0,1]=4 422 B8R0.28 C=C(C)CCSC(C)C 62a_100000730704_100000210206 [2,0,0,0,0,0|1,0,1]=4 423 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 424 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [2,0,0,0,0,0|1,0,0]=3 425 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [2,0,0,0,0,0|1,0,1]=4 426 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [2,0,0,0,0,0|1,0,1]=4 427 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [2,0,0,0,0,0|1,0,1]=4 428 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [2,0,0,0,0,0|1,0,1]=4 429 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [2,0,0,0,0,0|1,0,1]=4 430 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [2,0,0,0,0,0|1,0,1]=4 431 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [2,0,0,0,0,0|1,0,1]=4 432 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [2,0,0,0,0,0|0,0,1]=3 433 B8R0.28 CC(=O)NCC=C(C)C 11a_100000718196_100015343762 [2,0,0,0,0,0|1,0,1]=4 434 B8R0.28 CC(=O)NCC=C(C)C 1626a_100000718196_100015343762 [2,0,0,0,0,0|1,0,1]=4 435 B8R0.28 CC(=O)NCC=C(C)C 527a_100000718196_100103153847 [2,0,0,0,0,0|1,0,1]=4 436 B8R0.4 C/C=C/CCOCCO 34a_100016278192_100000211926 [2,0,0,0,0,0|1,0,1]=4 437 B8R0.1 C/C=C/CC(=O)CCO 1458a_100011216618_100102629194 [2,0,0,0,0,0|1,0,1]=4 438 B8R0.1 C/C=C/CN(C)CCO 269982a_100000210263_100102629194 [2,0,0,0,0,0|1,0,1]=4 439 B8R0.1 C=CCCC(=O)CCO 1458a_100000749702_100000211926 [2,0,0,0,0,0|1,0,1]=4 440 B8R0.1 C=CCCC(=O)CCO 1458a_100011216618_100000754431 [2,0,0,0,0,0|1,0,1]=4 441 B8R0.1 C=CCCN(C)CCO 2230a_100000210263_100000754431 [2,0,0,0,0,0|1,0,1]=4 442 B8R0.1 C=CCCN(C)CCO 2230a_100020639649_100000211926 [2,0,0,0,0,0|1,0,1]=4 443 B8R0.1 C=CCCN(C)CCO 269982a_100000210263_100000754431 [2,0,0,0,0,0|1,0,1]=4 444 B8R0.1 C=CCCN(C)CCO 269982a_100020639649_100000211926 [2,0,0,0,0,0|1,0,1]=4 445 B8R0.1 CC=CCC(=O)CCO 1458a_100011216618_100000070051 [2,0,0,0,0,0|1,0,1]=4 446 B8R0.1 CC=CCC(=O)CCO 1458a_100121576822_100000211926 [2,0,0,0,0,0|1,0,1]=4 447 B8R0.1 CC=CCN(C)CCO 2230a_100000210263_100000070051 [2,0,0,0,0,0|1,0,1]=4 448 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [1,1,0,0,0,0|0,0,2]=4 449 B10R0.44 CC(=CC(C)OC(C)CO)C 34a_100000717055_100012180447 [1,1,0,0,0,0|1,0,1]=4 450 B10R0.57 C/C=C(\C)/C(=O)CC=C(C)C 1458a_100020587367_100000761012 [1,1,0,0,0,0|0,0,1]=3 451 B10R0.57 CC(=CCN(C)C(C)CO)C 2230a_100000693034_100000761012 [1,1,0,0,0,0|1,0,1]=4 452 B10R0.57 CC(=CCN(C)C(C)CO)C 269982a_100000693034_100000761012 [1,1,0,0,0,0|1,0,1]=4 453 B10R0.65 CC(=CCNC(C)(C)CO)C 2230a_100000210608_100000761012 [1,1,0,0,0,0|1,0,1]=4 454 B10R0.77 CC(=CCNC(CO)CO)C 2230a_100000759517_100000761012 [1,1,0,0,0,0|1,0,1]=4 455 B10R0.77 CCN(CC)CCC=C(C)C 2230a_100000724800_100011217483 [1,1,0,0,0,0|1,0,1]=4 456 B10R0.77 CCN(CC)CCC=C(C)C 269956a_100000042499_100011217483 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.77 CCN(CC)CCC=C(C)C 269982a_100000724800_100011217483 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.77 CC[C@@H](CO)NCC=C(C)C 2230a_100000709445_100000761012 [1,1,0,0,0,0|1,0,1]=4 459 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [1,1,0,0,0,0|1,0,0]=3 460 B10R0.98 C=C(C)C(=O)NCC=C(C)C 11a_100000718196_100000185857 [1,1,0,0,0,0|2,0,0]=4 461 B10R0.98 C=C(C)C(=O)NCC=C(C)C 1626a_100000718196_100000185857 [1,1,0,0,0,0|2,0,0]=4 462 B10R0.98 CC(=CCCC(=O)C(C)C)C 1458a_100000210198_100011217483 [1,1,0,0,0,0|1,0,1]=4 463 B10R0.98 CC(=CCCC(=O)C(C)F)C 1458a_100000062450_100011217483 [1,1,0,0,0,0|1,0,1]=4 464 B10R0.98 CC(=CCCC(=O)C(O)O)C 1458a_100000233687_100011217483 [1,1,0,0,0,0|1,0,0]=3 465 B10R0.98 CC(=CCCC(=O)[C@@H](C)O)C 1458a_100000717761_100011217483 [1,1,0,0,0,0|1,0,0]=3 466 B10R0.98 CC(=CCCC(=O)[C@H](C)O)C 1458a_217856618621_100011217483 [1,1,0,0,0,0|1,0,0]=3 467 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [1,1,0,0,0,0|1,0,1]=4 468 B10R0.98 CC(=CCCN(C)C(C)C)C 269982a_200000211004_100011217483 [1,1,0,0,0,0|1,0,1]=4 469 B10R0.98 CC(=CCNC(=O)[C@H](C)O)C 1626a_100000718196_217856618621 [1,1,0,0,0,0|2,0,0]=4 470 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [1,1,0,0,0,0|1,0,1]=4 472 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [1,1,0,0,0,0|1,0,1]=4 473 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [1,1,0,0,0,0|1,0,1]=4 474 B10R0.4 CC(=CCCOCCON)C 34a_100000700252_100011217483 [1,1,0,0,0,0|1,0,1]=4 475 B10R0.4 CC(=CCCSCCCO)C 62a_100011215043_100011217483 [1,1,0,0,0,0|0,0,2]=4 476 B10R0.4 CC(=CCCSCCCO)C 62a_100011217483_100011215043 [1,1,0,0,0,0|0,0,2]=4 477 B10R0.4 CC(=CCNCC#CCO)C 34a_100000718196_200000047223 [1,1,0,0,0,0|0,0,2]=4 478 B10R0.4 CC(=CCNCCCCO)C 2230a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 479 B10R0.4 CC(=CCNCCCCO)C 34a_100000718196_100011216708 [1,1,0,0,0,0|0,0,2]=4 480 B10R0.4 CC(=CCNCCCCO)C 34a_100000750430_100000761012 [1,1,0,0,0,0|0,0,2]=4 481 B10R0.4 CC(=CCOCC#CCO)C 34a_100000753907_200000047223 [1,1,0,0,0,0|0,0,2]=4 482 B10R0.4 CC(=CCOCCCCO)C 34a_100000753907_100011216708 [1,1,0,0,0,0|0,0,2]=4 483 B10R0.4 CC(=CCSCC#CCO)C 62a_100000761012_200000047223 [1,1,0,0,0,0|0,0,2]=4 484 B10R0.4 CC(=CCSCC#CCO)C 62a_200000047223_100000761012 [1,1,0,0,0,0|0,0,2]=4 485 B10R0.4 CC(=CCSCCCCO)C 62a_100000210776_100000761012 [1,1,0,0,0,0|0,0,2]=4 486 B10R0.4 CC(=CCSCCCCO)C 62a_100000761012_100000210776 [1,1,0,0,0,0|0,0,2]=4 487 B10R0.4 CC/C=C\CNCC=C(C)C 34a_100000718196_100103147603 [1,1,0,0,0,0|1,0,0]=3 488 B10R0.4 CC/C=C\COCC=C(C)C 34a_100000753907_100103147603 [1,1,0,0,0,0|1,0,0]=3 489 B10R0.4 CC/C=C\COCC=C(C)C 34a_100016268518_100000761012 [1,1,0,0,0,0|1,0,0]=3 490 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100000761012_100103147603 [1,1,0,0,0,0|1,0,0]=3 491 B10R0.4 CC/C=C\CSCC=C(C)C 62a_100103147603_100000761012 [1,1,0,0,0,0|1,0,0]=3 492 B10R0.4 COCCNCCC=C(C)C 2230a_100000209980_100011217483 [1,1,0,0,0,0|1,0,1]=4 493 B10R0.4 COCCOCCC=C(C)C 34a_100000210237_100011217483 [1,1,0,0,0,0|1,0,1]=4 494 B10R0.4 COCCSCCC=C(C)C 62a_100000233755_100011217483 [1,1,0,0,0,0|1,0,1]=4 495 B10R0.4 COCCSCCC=C(C)C 62a_100011217483_100000233755 [1,1,0,0,0,0|1,0,1]=4 496 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [1,1,0,0,0,0|1,0,1]=4 497 B10R0.55 CC(=CCCN[C@H](C)CO)C 2230a_100000737577_100011217483 [1,1,0,0,0,0|1,0,1]=4 498 B10R0.55 CC(=CCCSC(C)CO)C 62a_100012180447_100011217483 [1,1,0,0,0,0|1,0,1]=4 499 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100011217483_100016084084 [1,1,0,0,0,0|1,0,1]=4 500 B10R0.55 CC(=CCCS[C@H](C)CO)C 62a_100016084084_100011217483 [1,1,0,0,0,0|1,0,1]=4 501 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [1,1,0,0,0,0|1,0,1]=4 502 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [1,1,0,0,0,0|1,0,1]=4 503 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [1,1,0,0,0,0|1,0,1]=4 504 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [1,1,0,0,0,0|1,0,1]=4 505 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [1,1,0,0,0,0|1,0,1]=4 506 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [1,1,0,0,0,0|1,0,1]=4 507 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [1,1,0,0,0,0|1,0,1]=4 508 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [1,1,0,0,0,0|1,0,1]=4 509 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [1,1,0,0,0,0|1,0,1]=4 510 B10R0.1 C/C=C/CCOC(C)CCO 34a_100016278192_100009893172 [1,1,0,0,0,0|0,0,2]=4 511 B10R0.1 C/C=C/COCC(=O)NCO 34a_100016270725_100000185155 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100000185155_100102629194 [1,1,0,0,0,0|2,0,0]=4 513 B10R0.1 C/C=C/CSCC(=O)NCO 62a_100102629194_100000185155 [1,1,0,0,0,0|2,0,0]=4 514 B10R0.1 CC/C=C\CCC(=O)CCO 1458a_100011216618_100015370543 [1,1,0,0,0,0|1,0,1]=4 515 B10R0.1 CC/C=C\CCN(C)CCO 2230a_100000210263_100015370543 [1,1,0,0,0,0|1,0,1]=4 516 B10R0.1 CC/C=C\CCN(C)CCO 269982a_100000210263_100015370543 [1,1,0,0,0,0|1,0,1]=4 517 B10R0.1 CC=CCSCC(=O)NCO 62a_100000070051_100000185155 [1,1,0,0,0,0|2,0,0]=4 518 B10R0.1 CC=CCSCC(=O)NCO 62a_100000185155_100000070051 [1,1,0,0,0,0|2,0,0]=4 519 B10R0.19 C/C=C/CC(=O)/C(=C/CC)/C 1458a_100016988807_100102629194 [1,1,0,0,0,0|1,0,1]=4 520 B10R0.19 CC=CCC(=O)/C(=C/CC)/C 1458a_100016988807_100000070051 [1,1,0,0,0,0|1,0,1]=4 521 B10R0.27 CCN(CC=C(C)C)CCO 2230a_100000210973_100000761012 [0,1,0,0,1,0|1,0,1]=4 522 B10R0.27 CCN(CC=C(C)C)CCO 269982a_100000210973_100000761012 [0,1,0,0,1,0|1,0,1]=4 523 B10R0.96 CC(=CCC(=O)CC(C)O)C 1458a_100011220947_100011218427 [0,1,0,0,1,0|1,0,1]=4 524 B10R0.96 CC(=CCC(=O)C[C@@H](C)O)C 1458a_100011933948_100000761012 [0,1,0,0,1,0|1,0,1]=4 525 B10R0.96 CC(=CCN(C)CC(C)O)C 2230a_100000227577_100000761012 [0,1,0,0,1,0|1,0,1]=4 526 B10R0.96 CC(=CCN(C)CC(C)O)C 269982a_100000227577_100000761012 [0,1,0,0,1,0|1,0,1]=4 527 B12R0.54 CC(=CCCC(C)N(C)CCO)C 270004a_100000210263_100000765506 [0,1,0,0,0,1|1,0,1]=4 528 B12R0.54 CC(=CCCN(C)C(C)CCO)C 2230a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 529 B12R0.54 CC(=CCCN(C)C(C)CCO)C 269982a_100000731037_100011217483 [0,1,0,0,0,1|0,0,2]=4 530 B12R0.54 CC/C=C(\C)/C(=O)CCC=C(C)C 1458a_100016988807_100011217483 [0,1,0,0,0,1|1,0,0]=3 531 B12R0.54 CC/C=C(\C)/C(=O)NCC=C(C)C 11a_100000718196_100016988807 [0,1,0,0,0,1|1,0,1]=4 532 B12R0.54 CC/C=C(\C)/C(=O)NCC=C(C)C 1626a_100000718196_100016988807 [0,1,0,0,0,1|1,0,1]=4 533 B12R0.54 CC/C=C(\C)/C(=O)NCC=C(C)C 527a_100000718196_100016988807 [0,1,0,0,0,1|1,0,1]=4 534 B12R0.86 CCC(=O)C(C)SCCC=C(C)C 62a_100000742827_100011217483 [0,1,0,0,0,1|1,0,1]=4 535 B12R0.86 CCC(=O)C(C)SCCC=C(C)C 62a_100011217483_100000742827 [0,1,0,0,0,1|1,0,1]=4 536 B12R0.95 C=C(CNCC=C(C)C)OCOC 34a_100000718196_100000042856 [0,1,0,0,0,1|1,0,1]=4 537 B12R0.95 C=C(COCC=C(C)C)OCOC 34a_100000753907_100000042856 [0,1,0,0,0,1|1,0,1]=4 538 B12R0.95 C=C(CSCC=C(C)C)OCOC 62a_100000042856_100000761012 [0,1,0,0,0,1|1,0,1]=4 539 B12R0.95 C=C(CSCC=C(C)C)OCOC 62a_100000761012_100000042856 [0,1,0,0,0,1|1,0,1]=4 540 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 2230a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 541 B12R0.95 CC(=CCNC[C@H](C)CCCO)C 34a_100160569302_100000761012 [0,1,0,0,0,1|0,0,2]=4 542 B12R0.95 COCO[C@H](C)COCC=C(C)C 34a_100016172286_100000761012 [0,1,0,0,0,1|1,0,1]=4 543 B12R0.95 COCO[C@H](C)COCC=C(C)C 7a_100016172286_100000761012 [0,1,0,0,0,1|1,0,1]=4 544 B12R0.172 CC(=CCSC[N+](C)(C)CCO)C 62a_100000761012_200010270792 [0,1,0,0,0,1|1,0,1]=4 545 B12R0.172 CC(=CCSC[N+](C)(C)CCO)C 62a_200010270792_100000761012 [0,1,0,0,0,1|1,0,1]=4 546 B12R0.272 CC(=CC(C)OCC(=O)NCO)C 34a_100000717055_100000185155 [0,1,0,0,0,1|2,0,0]=4 547 B12R0.283 CC(=CCC(=O)CC(=O)NCO)C 1458a_100011220947_100000185155 [0,1,0,0,0,1|2,0,0]=4 548 B12R0.140 CC(=CCCC(=O)CC(C)(C)O)C 1458a_100000693243_100011217483 [0,2,0,0,0,0|1,0,1]=4 549 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 2230a_100000755907_100011217483 [0,2,0,0,0,0|1,0,1]=4 550 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 269982a_100000755907_100011217483 [0,2,0,0,0,0|1,0,1]=4 551 B12R0.240 CC(=CCCC(=CC(=O)CF)C)C 1458a_100016995320_100015361967 [0,2,0,0,0,0|1,0,0]=3 552 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,2,0,0,0,0|1,0,1]=4 553 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C 270004a_100000737577_100000765506 [0,2,0,0,0,0|0,0,2]=4 554 B12R0.240 CC(=CCCC(C)OC(C)CO)C 34a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 555 B12R0.240 CC(=CCCC(C)OC(C)CO)C 7a_100102619829_100012180447 [0,2,0,0,0,0|0,0,2]=4 556 B12R0.240 CC(=CCCN(C)CC(O)CO)C 2230a_100011216503_100011217483 [0,2,0,0,0,0|1,0,1]=4 557 B12R0.240 CC(=CCCN(C)CC(O)CO)C 269982a_100011216503_100011217483 [0,2,0,0,0,0|1,0,1]=4 558 B12R0.240 CCC(=CC(=O)CCC=C(C)C)C 1458a_100020758463_100011217483 [0,2,0,0,0,0|2,0,0]=4 559 B12R0.240 CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210202 [0,2,0,0,0,0|1,0,0]=3 560 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,2,0,0,0,0|1,0,1]=4 561 B12R0.240 CCC(O)CC(=O)CCC=C(C)C 1458a_100011667805_100011217483 [0,2,0,0,0,0|1,0,1]=4 562 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 11a_106832991635_100016995320 [0,2,0,0,0,0|0,0,2]=4 563 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 1626a_100102657272_100016995320 [0,2,0,0,0,0|0,0,2]=4 564 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 240690a_100102657272_100016995320 [0,2,0,0,0,0|0,0,2]=4 565 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 2230a_100000729506_100011217483 [0,2,0,0,0,0|1,0,1]=4 566 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 269982a_100000729506_100011217483 [0,2,0,0,0,0|1,0,1]=4 567 B12R0.164 CC(=CCCN(CCO)CCO)C 2230a_100000210587_100011217483 [0,2,0,0,0,0|1,0,1]=4 568 B12R0.164 CC(=CCCN(CCO)CCO)C 269982a_100000210587_100011217483 [0,2,0,0,0,0|1,0,1]=4 569 B12R0.164 CCCN(CCO)CCC=C(C)C 2230a_100000211420_100011217483 [0,2,0,0,0,0|1,0,1]=4 570 B12R0.164 CCCN(CCO)CCC=C(C)C 269982a_100000211420_100011217483 [0,2,0,0,0,0|1,0,1]=4 571 B12R0.188 CCN(CCC=C(C)C)C(C)CO 2230a_100000731049_100011217483 [0,2,0,0,0,0|1,0,1]=4 572 B12R0.188 CCN(CCC=C(C)C)C(C)CO 269982a_100000731049_100011217483 [0,2,0,0,0,0|1,0,1]=4 573 B12R0.254 CCN(CCC=C(C)C)CCOC 2230a_100000731262_100011217483 [0,2,0,0,0,0|1,0,1]=4 574 B12R0.254 CCN(CCC=C(C)C)CCOC 269982a_100000731262_100011217483 [0,2,0,0,0,0|1,0,1]=4 575 B12R0.397 CC(=CCCN(CCO)C(C)C)C 2230a_100000224655_100011217483 [0,2,0,0,0,0|1,0,1]=4 576 B12R0.397 CC(=CCCN(CCO)C(C)C)C 269982a_100000224655_100011217483 [0,2,0,0,0,0|1,0,1]=4 577 B12R0.98 CCC/C=C(\C)/C(=O)CC=C(C)C 1458a_200020648666_100000761012 [0,2,0,0,0,0|1,0,1]=4 578 B12R0.349 CC(=CCCC(=O)C(C)(C)CO)C 1458a_100000749806_100011217483 [0,2,0,0,0,0|1,0,1]=4 579 B12R0.349 CC(=CCCN(C)C(C)(C)CO)C 269982a_100015204102_100011217483 [0,2,0,0,0,0|1,0,1]=4 580 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 2230a_100102631434_100016991246 [0,2,0,0,0,0|1,0,0]=3 581 B12R0.44 CC(=CCC/C(=C/CN(C)C)/C)C 269982a_100102631434_100016991246 [0,2,0,0,0,0|1,0,0]=3 582 B12R0.44 CC(=CCCC(=NNC(C)C)C)C 4a_100000741168_100000765506 [0,2,0,0,0,0|2,0,0]=4 583 B12R0.44 CC(=CCCC(=O)C=CC(C)C)C 1458a_100016268746_100011217483 [0,2,0,0,0,0|2,0,0]=4 584 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,2,0,0,0,0|0,0,2]=4 585 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 586 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,2,0,0,0,0|0,0,2]=4 587 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 588 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,2,0,0,0,0|0,0,2]=4 589 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,2,0,0,0,0|0,0,1]=3 590 B12R0.233 CC(=CCC/C(=C/CNCF)/C)C 34a_200020676162_100015361967 [0,2,0,0,0,0|1,0,0]=3 591 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100015361967_100016991246 [0,2,0,0,0,0|0,1,0]=3 592 B12R0.233 CC(=CCC/C(=C/CSCF)/C)C 62a_100016991246_100015361967 [0,2,0,0,0,0|0,1,0]=3 593 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 34a_100016990311_100015361967 [0,2,0,0,0,0|0,0,0]=2 594 B12R0.233 CC(=CCC/C(=C\COCF)/C)C 7a_100016990311_100015361967 [0,2,0,0,0,0|0,0,0]=2 595 B12R0.233 CC(=CCCC(=NNCCO)C)C 4a_100000210001_100000765506 [0,2,0,0,0,0|0,0,1]=3 596 B12R0.233 CC(=CCCC(=O)CCCCO)C 1458a_100000695505_100011217483 [0,2,0,0,0,0|1,0,1]=4 597 B12R0.233 CC(=CCCC(=O)COCCO)C 1458a_100000708028_100011217483 [0,2,0,0,0,0|1,0,1]=4 598 B12R0.233 CC(=CCCC(C)CCOCF)C 34a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 599 B12R0.233 CC(=CCCC(C)CCOCF)C 7a_100000017536_100015361967 [0,2,0,0,0,0|0,0,2]=4 600 B12R0.233 CC(=CCCC(C)CNCCO)C 270004a_100000210304_100000033009 [0,2,0,0,0,0|0,0,2]=4 601 B12R0.233 CC(=CCCC(C)NCCCO)C 270004a_100000182051_100000765506 [0,2,0,0,0,0|0,0,2]=4 602 B12R0.233 CC(=CCCC(C)OCCCO)C 34a_100102619829_100000230001 [0,2,0,0,0,0|0,0,2]=4 603 B12R0.233 CC(=CCCC(C)OCCCO)C 7a_100102619829_100011215043 [0,2,0,0,0,0|0,0,2]=4 604 B12R0.233 CC(=CCCN(C)CCCCO)C 2230a_100000717598_100011217483 [0,2,0,0,0,0|1,0,1]=4 605 B12R0.233 CC(=CCCN(C)CCCCO)C 269982a_100000717598_100011217483 [0,2,0,0,0,0|1,0,1]=4 606 B12R0.233 CC/C=C/CC(=O)CCC=C(C)C 1458a_100016274230_100011217483 [0,2,0,0,0,0|2,0,0]=4 607 B12R0.233 CCCC=CC(=O)CCC=C(C)C 1458a_100000212230_100011217483 [0,2,0,0,0,0|2,0,0]=4 608 B12R0.233 CCCNN=C(C)CCC=C(C)C 4a_100000740057_100000765506 [0,2,0,0,0,0|1,0,1]=4 609 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_100015525214_100016991246 [0,2,0,0,0,0|1,0,0]=3 610 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 2230a_200020676162_100000210202 [0,2,0,0,0,0|1,0,0]=3 611 B12R0.233 CCNC/C=C(\C)/CCC=C(C)C 34a_200020676162_100000210202 [0,2,0,0,0,0|1,0,0]=3 612 B12R0.233 CCNN=CC(C)CCC=C(C)C 4a_100000756455_100000033009 [0,2,0,0,0,0|1,0,1]=4 613 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 34a_100016990311_100000210202 [0,2,0,0,0,0|0,0,0]=2 614 B12R0.233 CCOC/C=C(/C)\CCC=C(C)C 7a_100016990311_100000210202 [0,2,0,0,0,0|0,0,0]=2 615 B12R0.233 CCOC/C=C(\C)/CCC=C(C)C 34a_100121572206_100016991246 [0,2,0,0,0,0|0,0,0]=2 616 B12R0.233 CCOC=CC(=O)CCC=C(C)C 1458a_100016266692_100011217483 [0,2,0,0,0,0|1,0,1]=4 617 B12R0.233 CCOCCC(=O)CCC=C(C)C 1458a_100000749530_100011217483 [0,2,0,0,0,0|1,0,1]=4 618 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 619 B12R0.233 CCOCCC(C)CCC=C(C)C 34a_100121572206_100009814015 [0,2,0,0,0,0|0,0,2]=4 620 B12R0.233 CCOCCC(C)CCC=C(C)C 7a_100000017536_100000210202 [0,2,0,0,0,0|0,0,2]=4 621 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100000210202_100016991246 [0,2,0,0,0,0|0,1,0]=3 622 B12R0.233 CCSC/C=C(\C)/CCC=C(C)C 62a_100016991246_100000210202 [0,2,0,0,0,0|0,1,0]=3 623 B12R0.233 COCC=CC(=O)CCC=C(C)C 1458a_100016285016_100011217483 [0,2,0,0,0,0|1,0,0]=3 624 B12R0.233 COCC=CC(=O)NCC=C(C)C 11a_100000718196_100016285016 [0,2,0,0,0,0|2,0,0]=4 625 B12R0.233 COCC=CC(=O)NCC=C(C)C 1626a_100000718196_100016285016 [0,2,0,0,0,0|2,0,0]=4 626 B12R0.233 COCCCC(=O)CCC=C(C)C 1458a_100000741012_100011217483 [0,2,0,0,0,0|1,0,1]=4 627 B12R0.233 COCCCN(C)CCC=C(C)C 2230a_100000224831_100011217483 [0,2,0,0,0,0|1,0,1]=4 628 B12R0.233 COCCCN(C)CCC=C(C)C 269982a_100000224831_100011217483 [0,2,0,0,0,0|1,0,1]=4 629 B12R0.233 COCCNC(C)CCC=C(C)C 270004a_100000209980_100000765506 [0,2,0,0,0,0|0,0,2]=4 630 B12R0.233 COCCOC(C)CCC=C(C)C 34a_100102619829_100011201679 [0,2,0,0,0,0|0,0,2]=4 631 B12R0.233 COCCOC(C)CCC=C(C)C 7a_100102619829_100000233755 [0,2,0,0,0,0|0,0,2]=4 632 B10R1.13 CC(=O)C1CC=C(CC1)C 1458a_100000137427_200000210301 [1,0,0,1,0,0|1,0,1]=4 633 B10R1.13 CC(=O)N1CC=C(CC1)C 11a_100000693516_100015343762 [1,0,0,1,0,0|2,0,0]=4 634 B10R1.13 CC(=O)N1CC=C(CC1)C 1626a_100000693516_100015343762 [1,0,0,1,0,0|2,0,0]=4 635 B10R1.13 CC(=O)N1CC=C(CC1)C 240690a_100000693516_100015343762 [1,0,0,1,0,0|2,0,0]=4 636 B10R1.13 CC(=O)N1CC=C(CC1)C 527a_100000693516_100103153847 [1,0,0,1,0,0|2,0,0]=4 637 B10R1.13 CC1=CCC(CC1)C(=O)[13CH3] 1458a_100000137427_200025704644 [1,0,0,1,0,0|1,0,1]=4 638 B10R1.13 CC1=CCN(CC1)C(C)C 2230a_100000693516_100000210206 [1,0,0,1,0,0|1,0,1]=4 639 B10R1.13 CC1=CCN(CC1)C(C)C 269982a_100000693516_100000210206 [1,0,0,1,0,0|1,0,1]=4 640 B10R1.13 CC1=CCN(CC1)C(C)C 34a_100000693516_100000210206 [1,0,0,1,0,0|1,0,1]=4 641 B10R1.127 CC(=CCCN1CCC1)C 269982a_100000754969_100011217483 [1,0,0,1,0,0|1,0,1]=4 642 B10R1.127 CC(=CCNC1COC1)C 2230a_100016991112_100000761012 [1,0,0,1,0,0|1,0,1]=4 643 B10R1.127 CC(=CCNC1COC1)C 34a_100000718196_100009818527 [1,0,0,1,0,0|1,0,1]=4 644 B10R1.127 CC(=CCOC1COC1)C 34a_100000753907_100009818527 [1,0,0,1,0,0|1,0,1]=4 645 B10R1.127 CC(=CCSC1COC1)C 62a_100000761012_100009818527 [1,0,0,1,0,0|1,0,1]=4 646 B10R1.10 CC1=CCCN(C1)CCO 2230a_100000725631_100000211926 [1,0,0,1,0,0|1,0,1]=4 647 B10R1.10 CC1=CCCN(C1)CCO 269982a_100000725631_100000211926 [1,0,0,1,0,0|1,0,1]=4 648 B10R1.10 CC1=CCCN(C1)CCO 34a_100000725631_100000211926 [1,0,0,1,0,0|1,0,1]=4 649 B10R1.11 O=C(CCO)C1CC=CC1 1458a_100000759439_100000211926 [1,0,0,1,0,0|1,0,1]=4 650 B10R1.1 CC1=CCN(CC1)CCO 2230a_100000693516_100000211926 [0,0,0,1,1,0|1,0,1]=4 651 B10R1.1 CC1=CCN(CC1)CCO 269982a_100000693516_100000211926 [0,0,0,1,1,0|1,0,1]=4 652 B10R1.1 CC1=CCN(CC1)CCO 34a_100000693516_100000211926 [0,0,0,1,1,0|1,0,1]=4 653 B10R1.82 CC(=CCN1CC(C1)O)C 269982a_100000749847_100000761012 [0,0,0,1,1,0|1,0,1]=4 654 B10R1.211 CC(=CCC(=O)C1CO1)C 1458a_100000701028_100000761012 [0,0,0,1,1,0|1,0,1]=4 655 B12R1.17 CC1=CCCN(C1)C(=O)CCO 240690a_100000725631_100011216618 [0,0,0,1,0,1|1,0,1]=4 656 B12R1.17 CC1=CCCN(C1)C(C)CCO 2230a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 657 B12R1.17 CC1=CCCN(C1)C(C)CCO 269982a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 658 B12R1.17 CC1=CCCN(C1)C(C)CCO 34a_100000725631_100009893172 [0,0,0,1,0,1|0,0,2]=4 659 B12R1.220 CC(=CCCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100011217483 [0,0,0,1,0,1|0,0,2]=4 660 B12R1.220 CC(=CCNCC1CC(C1)O)C 2230a_100016992100_100000761012 [0,0,0,1,0,1|0,0,2]=4 661 B12R1.226 CC(=CCN1CCC=C(C1)C)C 2230a_100000725631_100000761012 [0,0,0,1,0,1|1,0,0]=3 662 B12R1.226 CC(=CCN1CCC=C(C1)C)C 269982a_100000725631_100000761012 [0,0,0,1,0,1|1,0,0]=3 663 B12R1.226 CC(=CCN1CCC=C(C1)C)C 34a_100000725631_100000761012 [0,0,0,1,0,1|1,0,0]=3 664 B12R1.255 CC(=CCCN[C@@H]1CCOC1)C 2230a_200015188469_100011217483 [0,0,0,1,0,1|0,0,2]=4 665 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 2230a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 666 B12R1.255 CC(=CCCN[C@H]1CCOC1)C 34a_100015188467_100011217483 [0,0,0,1,0,1|0,0,2]=4 667 B12R1.255 CC(=CCCO[C@H]1CCOC1)C 34a_100000717292_100011217483 [0,0,0,1,0,1|0,0,2]=4 668 B12R1.255 CC(=CCCSC1CCOC1)C 62a_100011217483_100000690089 [0,0,0,1,0,1|0,0,2]=4 669 B12R1.255 CC(=CCCSc1ccoc1)C 62a_100011215275_100011217483 [0,0,0,1,0,1|0,0,2]=4 670 B12R1.255 CC(=CCCSc1ccoc1)C 62a_100011217483_100011215275 [0,0,0,1,0,1|0,0,2]=4 671 B12R1.255 CC(=CCCSc1ccon1)C 62a_100009818083_100011217483 [0,0,0,1,0,1|1,0,1]=4 672 B12R1.255 CC(=CCCSc1ccon1)C 62a_100011217483_100009818083 [0,0,0,1,0,1|1,0,1]=4 673 B12R1.255 CC(=CCCSc1cnoc1)C 62a_100009815712_100011217483 [0,0,0,1,0,1|1,0,1]=4 674 B12R1.255 CC(=CCCSc1cnoc1)C 62a_100011217483_100009815712 [0,0,0,1,0,1|1,0,1]=4 675 B12R1.255 CC(=CCNCC1CCOC1)C 2230a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 676 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000718196_100011261433 [0,0,0,1,0,1|0,0,2]=4 677 B12R1.255 CC(=CCNCC1CCOC1)C 34a_100000737293_100000761012 [0,0,0,1,0,1|0,0,2]=4 678 B12R1.255 CC(=CCNCc1ccoc1)C 2230a_100015206860_100000761012 [0,0,0,1,0,1|0,0,2]=4 679 B12R1.255 CC(=CCNCc1ccoc1)C 270004a_100000718196_100011215517 [0,0,0,1,0,1|0,0,2]=4 680 B12R1.255 CC(=CCNCc1ccoc1)C 34a_100015206860_100000761012 [0,0,0,1,0,1|0,0,2]=4 681 B12R1.255 CC(=CCNCc1ccon1)C 34a_100000718196_100000234950 [0,0,0,1,0,1|1,0,1]=4 682 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000740260_100000761012 [0,0,0,1,0,1|0,0,2]=4 683 B12R1.255 CC(=CCOCC1CCOC1)C 34a_100000753907_100011261433 [0,0,0,1,0,1|0,0,2]=4 684 B12R1.255 CC(=CCOCC1COCO1)C 34a_100011216627_100000761012 [0,0,0,1,0,1|1,0,1]=4 685 B12R1.255 CC(=CCOCc1ccoc1)C 34a_100011215357_100000761012 [0,0,0,1,0,1|0,0,2]=4 686 B12R1.255 CC(=CCOCc1ccon1)C 34a_100000753907_100000234950 [0,0,0,1,0,1|1,0,1]=4 687 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000702531_100000761012 [0,0,0,1,0,1|0,0,2]=4 688 B12R1.255 CC(=CCSCC1CCOC1)C 62a_100000761012_100000702531 [0,0,0,1,0,1|0,0,2]=4 689 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000234950_100000761012 [0,0,0,1,0,1|1,0,1]=4 690 B12R1.255 CC(=CCSCc1ccon1)C 62a_100000761012_100000234950 [0,0,0,1,0,1|1,0,1]=4 691 B12R1.66 CC(=Cc1nc(c(s1)C)CO)C 271570a_100102525489_100010127906 [0,1,0,1,0,0|1,0,1]=4 692 B12R1.66 CC(=Cc1nc(c(s1)CO)C)C 271570a_100102525489_100010264302 [0,1,0,1,0,0|1,0,1]=4 693 B12R1.105 CC(=CCCN1CCC(C1)O)C 2230a_100011215560_100011217483 [0,1,0,1,0,0|1,0,1]=4 694 B12R1.105 CC(=CCCN1CCC(C1)O)C 269982a_100011215560_100011217483 [0,1,0,1,0,0|1,0,1]=4 695 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 2230a_100000718560_100011217483 [0,1,0,1,0,0|1,0,1]=4 696 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 269982a_100000718560_100011217483 [0,1,0,1,0,0|1,0,1]=4 697 B12R1.252 CC(=CCCN1CCCOC1)C 2230a_100000131196_100011217483 [0,1,0,1,0,0|1,0,1]=4 698 B12R1.252 CC(=CCCN1CCCOC1)C 269982a_100000131196_100011217483 [0,1,0,1,0,0|1,0,1]=4 699 B12R1.252 CC(=CCCN1CCCOC1)C 34a_100000131196_100011217483 [0,1,0,1,0,0|1,0,1]=4 700 B12R1.252 CC(=CCCN1CCOCC1)C 2230a_100015191051_100011217483 [0,1,0,1,0,0|1,0,1]=4 701 B12R1.252 CC(=CCCN1CCOCC1)C 269982a_100015191051_100011217483 [0,1,0,1,0,0|1,0,1]=4 702 B12R1.252 CC(=CCCN1CCOCC1)C 34a_100015191051_100011217483 [0,1,0,1,0,0|1,0,1]=4 703 B12R1.1222 CC(=CCCN1C[C@@H]([C@@H]1C)O)C 2230a_206633788156_100011217483 [0,1,0,1,0,0|1,0,1]=4 704 B12R1.1222 CC(=CCCN1C[C@@H]([C@@H]1C)O)C 269982a_206633788156_100011217483 [0,1,0,1,0,0|1,0,1]=4 705 B12R1.16 CC1=CCC(CC1)C(=O)CCO 1458a_100000137427_100000211926 [0,1,0,1,0,0|1,0,1]=4 706 B12R1.54 CC(=CCC(=O)C1=CCCC1)C 1458a_100000038896_100000761012 [0,1,0,1,0,0|1,0,1]=4 707 B12R1.54 CC(=CCC(=O)C1=CCOC1)C 1458a_100000139269_100000761012 [0,1,0,1,0,0|0,0,1]=3 708 B12R1.1357 CC(=CCCC(=O)C1CCO1)C 1458a_100000089072_100011217483 [0,1,0,1,0,0|1,0,1]=4 709 B12R1.1357 CC(=CCCC(=O)C1COC1)C 1458a_100000758290_100011217483 [0,1,0,1,0,0|1,0,1]=4 710 B12R1.1357 CC(=CCCN(C)C1COC1)C 2230a_100102693430_100011217483 [0,1,0,1,0,0|1,0,1]=4 711 B12R1.1357 CC(=CCCN(C)C1COC1)C 269982a_100102693430_100011217483 [0,1,0,1,0,0|1,0,1]=4 712 B12R1.65 CC(=Cc1sc(nc1CO)C)C 271570a_100102525489_100011103066 [0,1,0,1,0,0|1,0,1]=4 713 B12R1.430 CC(=CCCN1CC(C1)CO)C 269982a_100016987283_100011217483 [0,1,0,1,0,0|1,0,1]=4 714 B12R1.430 CC(=CCCN1CC(C1)CO)C 34a_100016987283_100011217483 [0,1,0,1,0,0|1,0,1]=4 715 B12R1.430 COC1CN(C1)CCC=C(C)C 269982a_100000755009_100011217483 [0,1,0,1,0,0|1,0,1]=4 716 B8R0.9 C=C(C)CCC(=O)CO 1458a_100000210174_100000730704 [1,0,0,0,1,0|1,0,1]=4 717 B8R0.9 C=CC(=O)CC=C(C)C 1458a_100000185746_100000761012 [1,0,0,0,1,0|1,0,1]=4 718 B8R0.9 CC(=CCC(=O)CF)C 1458a_100011220947_100015361967 [1,0,0,0,1,0|2,0,0]=4 719 B8R0.9 CC(=CCC(=O)CO)C 1458a_100000210174_100000761012 [1,0,0,0,1,0|1,0,0]=3 720 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,0,0,0,1,0|1,0,1]=4 721 B8R0.9 CC=C(C)C=CC(=O)C 1458a_100000692105_200000210301 [1,0,0,0,1,0|1,0,1]=4 722 B8R0.9 CC=C(C)C=CC(=O)[13CH3] 1458a_100000692105_200025704644 [1,0,0,0,1,0|1,0,1]=4 723 B8R0.9 CCC(=O)CC=C(C)C 1458a_100000210414_100000761012 [1,0,0,0,1,0|1,0,1]=4 724 B8R0.9 CCC(=O)CC=C(C)C 1458a_100011220947_100000210202 [1,0,0,0,1,0|1,0,1]=4 725 B8R0.9 CCN(C)CC=C(C)C 2230a_100000225621_100000761012 [1,0,0,0,1,0|1,0,1]=4 726 B8R0.9 CCN(C)CC=C(C)C 269982a_100000225621_100000761012 [1,0,0,0,1,0|1,0,1]=4 727 B8R0.9 CNC(=O)CC=C(C)C 11a_106832991635_100011220947 [1,0,0,0,1,0|2,0,0]=4 728 B8R0.9 CNC(=O)CC=C(C)C 1626a_100102657272_100011220947 [1,0,0,0,1,0|2,0,0]=4 729 B8R0.9 CNC(=O)CC=C(C)C 240690a_100102657272_100011220947 [1,0,0,0,1,0|2,0,0]=4 730 B8R0.9 CNC(=O)CC=C(C)C 527a_100102657272_100011220947 [1,0,0,0,1,0|2,0,0]=4 731 B8R0.5 CC(=CC(=O)CCO)C 1458a_100000211388_100000211926 [0,0,0,0,2,0|1,0,1]=4 732 B12R0.277 CC(=CCCSCC(=O)NCO)C 62a_100000185155_100011217483 [0,0,0,0,0,2|2,0,0]=4 733 B12R0.277 CC(=CCCSCC(=O)NCO)C 62a_100011217483_100000185155 [0,0,0,0,0,2|2,0,0]=4