0 B9R0.2 C/C=C/C=C/COC(C)C 34a_100016283227_100000210206 [0,0,0,0,0,0|1,0,1]=2 1 B9R0.2 C/C=C/CNCC=C(C)C 34a_100000718196_100102629194 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.2 C/C=C/COCC=C(C)C 34a_100000753907_100102629194 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.2 C/C=C/COCC=C(C)C 34a_100016270725_100000761012 [0,0,0,0,0,0|3,0,1]=4 4 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 C/C=C/COCOC(=O)C 34a_100016270725_100009813279 [0,0,0,0,0,0|1,0,1]=2 10 B9R0.2 C/C=C/COCOC(C)C 34a_100016270725_100000709892 [0,0,0,0,0,0|2,0,2]=4 11 B9R0.2 C/C=C/CSCC=C(C)C 62a_100000761012_100102629194 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 C/C=C/CSCC=C(C)C 62a_100102629194_100000761012 [0,0,0,0,0,0|3,0,1]=4 13 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [0,0,0,0,0,0|2,0,1]=3 15 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.2 C/C=C/CSCOC(=O)C 62a_100000076356_100102629194 [0,0,0,0,0,0|1,0,1]=2 18 B9R0.2 C/C=C/CSCOC(=O)C 62a_100102629194_100000076356 [0,0,0,0,0,0|1,0,1]=2 19 B9R0.2 C/C=C/CSCOC(C)C 62a_100000709892_100102629194 [0,0,0,0,0,0|2,0,2]=4 20 B9R0.2 C/C=C/CSCOC(C)C 62a_100102629194_100000709892 [0,0,0,0,0,0|2,0,2]=4 21 B9R0.2 C=C(C)CCOC/C=C/C 34a_100000764851_100102629194 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.2 C=C(C)CCOC/C=C/C 34a_100016270725_100000730704 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.2 C=C(C)CCOCC=CC 34a_100000764851_100000070051 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.2 C=C(C)CCSC/C=C/C 62a_100000730704_100102629194 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.2 C=C(C)CCSC/C=C/C 62a_100102629194_100000730704 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.2 C=C(C)CCSCC=CC 62a_100000070051_100000730704 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.2 C=C(C)CCSCC=CC 62a_100000730704_100000070051 [0,0,0,0,0,0|3,0,1]=4 28 B9R0.2 C=CCCOCOC(=O)C 34a_100011205117_100009813279 [0,0,0,0,0,0|1,0,3]=4 29 B9R0.2 C=CCCSCOC(=O)C 62a_100000076356_100000754431 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.2 C=CCCSCOC(=O)C 62a_100000754431_100000076356 [0,0,0,0,0,0|1,0,3]=4 31 B9R0.2 C=CCOCCOC(=O)C 34a_200000210373_100009814007 [0,0,0,0,0,0|1,0,3]=4 32 B9R0.2 C=CCSCCOC(=O)C 62a_100000210623_100009814007 [0,0,0,0,0,0|1,0,3]=4 33 B9R0.2 C=CCSCCOC(=O)C 62a_100009814007_100000210623 [0,0,0,0,0,0|1,0,3]=4 34 B9R0.2 CC#CCNCOC(=O)C 34a_100000685387_100009813279 [0,0,0,0,0,0|1,0,3]=4 35 B9R0.2 CC#CCOCOC(=O)C 34a_100000761923_100009813279 [0,0,0,0,0,0|1,0,3]=4 36 B9R0.2 CC#CCSCOC(=O)C 62a_100000076356_100000748600 [0,0,0,0,0,0|1,0,3]=4 37 B9R0.2 CC#CCSCOC(=O)C 62a_100000748600_100000076356 [0,0,0,0,0,0|1,0,3]=4 38 B9R0.2 CC(=O)OCCCCO[13CH3] 34a_100000073216_200025704644 [0,0,0,0,0,0|1,0,3]=4 39 B9R0.2 CC(=O)OCCCCO[13CH3] 7a_100000073216_200025704644 [0,0,0,0,0,0|1,0,3]=4 40 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_100000033659_200025704644 [0,0,0,0,0,0|1,0,3]=4 41 B9R0.2 CC(=O)OCCCCS[13CH3] 62a_200025704644_100000033659 [0,0,0,0,0,0|1,0,3]=4 42 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_100000076355_200025704644 [0,0,0,0,0,0|2,0,2]=4 43 B9R0.2 CC(=O)OCCOCS[13CH3] 62a_200025704644_100000076355 [0,0,0,0,0,0|2,0,2]=4 44 B9R0.2 CC(=O)OCCSCC=O 62a_100009814007_200015260668 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 CC(=O)OCCSCC=O 62a_200015260668_100009814007 [0,0,0,0,0,0|2,0,2]=4 46 B9R0.2 CC/C=C\CCOC(C)C 34a_100000212225_100015370543 [0,0,0,0,0,0|1,0,3]=4 47 B9R0.2 CC/C=C\CCOC(C)C 34a_100016288707_100000210206 [0,0,0,0,0,0|1,0,3]=4 48 B9R0.2 CC/C=C\CCOC(C)C 7a_100016288707_100000210206 [0,0,0,0,0,0|1,0,3]=4 49 B9R0.2 CC/C=C\COCC(=O)C 34a_100000211253_100103147603 [0,0,0,0,0,0|2,0,2]=4 50 B9R0.2 CC=C=CCCOC(C)C 34a_100011020354_100000210206 [0,0,0,0,0,0|1,0,3]=4 51 B9R0.2 CC=CCCCOC(C)C 34a_100020645299_100000210206 [0,0,0,0,0,0|1,0,3]=4 52 B9R0.2 CC=CCNCC=C(C)C 34a_100000718196_100000070051 [0,0,0,0,0,0|3,0,1]=4 53 B9R0.2 CC=CCOCC=C(C)C 34a_100000753907_100000070051 [0,0,0,0,0,0|3,0,1]=4 54 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [0,0,0,0,0,0|2,0,1]=3 55 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [0,0,0,0,0,0|2,0,1]=3 56 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.2 CC=CCSCC=C(C)C 62a_100000070051_100000761012 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.2 CC=CCSCC=C(C)C 62a_100000761012_100000070051 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [0,0,0,0,0,0|2,0,1]=3 61 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [0,0,0,0,0,0|2,0,1]=3 62 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [0,0,0,0,0,0|3,0,1]=4 63 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.2 CC=CCSCOC(=O)C 62a_100000070051_100000076356 [0,0,0,0,0,0|1,0,1]=2 65 B9R0.2 CC=CCSCOC(=O)C 62a_100000076356_100000070051 [0,0,0,0,0,0|1,0,1]=2 66 B9R0.2 CC=CCSCOC(C)C 62a_100000070051_100000709892 [0,0,0,0,0,0|2,0,2]=4 67 B9R0.2 CC=CCSCOC(C)C 62a_100000709892_100000070051 [0,0,0,0,0,0|2,0,2]=4 68 B9R0.2 CCC/C=C/C=CC(=O)C 1458a_200016258893_200000210301 [0,0,0,0,0,0|1,0,3]=4 69 B9R0.2 CCC/C=C/C=CC(=O)[13CH3] 1458a_200016258893_200025704644 [0,0,0,0,0,0|1,0,3]=4 70 B9R0.2 CCC/C=C/COC(C)C 34a_100016278788_100000210206 [0,0,0,0,0,0|1,0,3]=4 71 B9R0.2 CCC/C=C/COC(C)C 7a_100016278788_100000210206 [0,0,0,0,0,0|1,0,3]=4 72 B9R0.2 CCC=CC=NNC(=O)C 4a_100000189765_100011216943 [0,0,0,0,0,0|2,0,1]=3 73 B9R0.2 CCCCOCOC(=O)C 34a_100000210227_100009813279 [0,0,0,0,0,0|1,0,3]=4 74 B9R0.2 CCCCSCOC(=O)C 62a_100000076356_100000210210 [0,0,0,0,0,0|1,0,3]=4 75 B9R0.2 CCCCSCOC(=O)C 62a_100000210211_100000076356 [0,0,0,0,0,0|1,0,3]=4 76 B9R0.2 CCCOCCOC(=O)C 34a_100000210258_100009814007 [0,0,0,0,0,0|1,0,3]=4 77 B9R0.2 CCCSCCOC(=O)C 62a_100000210303_100009814007 [0,0,0,0,0,0|1,0,3]=4 78 B9R0.2 CCCSCCOC(=O)C 62a_100009814007_100000210303 [0,0,0,0,0,0|1,0,3]=4 79 B9R0.2 CCOCCCOC(=O)C 34a_100121572206_100000042594 [0,0,0,0,0,0|1,0,3]=4 80 B9R0.2 CCOCSCOC(=O)C 62a_100000076356_100000739092 [0,0,0,0,0,0|2,0,2]=4 81 B9R0.2 CCOCSCOC(=O)C 62a_100000739092_100000076356 [0,0,0,0,0,0|2,0,2]=4 82 B9R0.2 CCSCCCOC(=O)C 62a_100000042594_100000210202 [0,0,0,0,0,0|1,0,3]=4 83 B9R0.2 CCSCCCOC(=O)C 62a_100000210202_100000042594 [0,0,0,0,0,0|1,0,3]=4 84 B9R0.2 CNCCCCOC(=O)C 34a_100102657272_100000033659 [0,0,0,0,0,0|1,0,3]=4 85 B9R0.2 CNCCCCOC(=O)C 7a_106832991635_100000033659 [0,0,0,0,0,0|1,0,3]=4 86 B9R0.2 CNCOCCOC(=O)C 34a_100102657272_100000076355 [0,0,0,0,0,0|2,0,2]=4 87 B9R0.2 COCCCCOC(=O)C 34a_100000073216_200000210301 [0,0,0,0,0,0|1,0,3]=4 88 B9R0.2 COCCCCOC(=O)C 34a_100138415774_100000033659 [0,0,0,0,0,0|1,0,3]=4 89 B9R0.2 COCCCCOC(=O)C 7a_100000073216_200000210301 [0,0,0,0,0,0|1,0,3]=4 90 B9R0.2 COCCOCOC(=O)C 34a_100000210237_100009813279 [0,0,0,0,0,0|2,0,2]=4 91 B9R0.2 COCCSCOC(=O)C 62a_100000076356_100000233755 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.2 COCCSCOC(=O)C 62a_100000233755_100000076356 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.2 COCOCCOC(=O)C 34a_100138415774_100000076355 [0,0,0,0,0,0|2,0,2]=4 94 B9R0.2 COCSCCOC(=O)C 62a_100000766300_100009814007 [0,0,0,0,0,0|2,0,2]=4 95 B9R0.2 COCSCCOC(=O)C 62a_100009814007_100000766300 [0,0,0,0,0,0|2,0,2]=4 96 B9R0.2 CSCCCCOC(=O)C 62a_100000033659_200000210301 [0,0,0,0,0,0|1,0,3]=4 97 B9R0.2 CSCCCCOC(=O)C 62a_200000210301_100000033659 [0,0,0,0,0,0|1,0,3]=4 98 B9R0.2 CSCCOCOC(=O)C 34a_100000230434_100009813279 [0,0,0,0,0,0|2,0,2]=4 99 B9R0.2 CSCCSCOC(=O)C 62a_100000076356_100000751147 [0,0,0,0,0,0|2,0,2]=4 100 B9R0.2 CSCCSCOC(=O)C 62a_100000212216_100000076356 [0,0,0,0,0,0|2,0,2]=4 101 B9R0.2 CSCOCCOC(=O)C 62a_100000076355_200000210301 [0,0,0,0,0,0|2,0,2]=4 102 B9R0.2 CSCOCCOC(=O)C 62a_200000210301_100000076355 [0,0,0,0,0,0|2,0,2]=4 103 B9R0.2 CSCSCCOC(=O)C 62a_100009814007_100011218213 [0,0,0,0,0,0|2,0,2]=4 104 B9R0.2 CSCSCCOC(=O)C 62a_100011218213_100009814007 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.4 C/C=C/C=C/COCC 34a_100016283227_100000210202 [1,0,0,0,0,0|0,0,1]=2 106 B8R0.4 C/C=C/C=C/COCF 34a_100016283227_100015361967 [1,0,0,0,0,0|1,0,1]=3 107 B8R0.4 C/C=C/COC/C=C/C 34a_100016270725_100102629194 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.4 C/C=C/CSC/C=C/C 62a_100102629194_100102629194 [1,0,0,0,0,0|2,0,1]=4 109 B8R0.4 C/C=C/CSCOCC 62a_100000739092_100102629194 [1,0,0,0,0,0|1,0,2]=4 110 B8R0.4 C/C=C/CSCOCC 62a_100102629194_100000739092 [1,0,0,0,0,0|1,0,2]=4 111 B8R0.4 CC/C=C\CCOCC 34a_100016288707_100000210202 [1,0,0,0,0,0|0,0,3]=4 112 B8R0.4 CC/C=C\CCOCC 34a_100121572206_100015370543 [1,0,0,0,0,0|0,0,3]=4 113 B8R0.4 CC/C=C\CCOCC 7a_100016288707_100000210202 [1,0,0,0,0,0|0,0,3]=4 114 B8R0.4 CC=C=CCCOCC 34a_100011020354_100000210202 [1,0,0,0,0,0|0,0,3]=4 115 B8R0.4 CC=CCCCOCC 34a_100020645299_100000210202 [1,0,0,0,0,0|0,0,3]=4 116 B8R0.4 CC=CCOC/C=C/C 34a_100016270725_100000070051 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.4 CC=CCSC/C=C/C 62a_100000070051_100102629194 [1,0,0,0,0,0|2,0,1]=4 118 B8R0.4 CC=CCSC/C=C/C 62a_100102629194_100000070051 [1,0,0,0,0,0|2,0,1]=4 119 B8R0.4 CC=CCSCC=CC 62a_100000070051_100000070051 [1,0,0,0,0,0|2,0,1]=4 120 B8R0.4 CC=CCSCOCC 62a_100000070051_100000739092 [1,0,0,0,0,0|1,0,2]=4 121 B8R0.4 CC=CCSCOCC 62a_100000739092_100000070051 [1,0,0,0,0,0|1,0,2]=4 122 B8R0.4 CCC/C=C/COCC 34a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 123 B8R0.4 CCC/C=C/COCC 7a_100016278788_100000210202 [1,0,0,0,0,0|0,0,3]=4 124 B8R0.7 C/C=C/CCOC(C)C 34a_100016278192_100000210206 [1,0,0,0,0,0|1,0,2]=4 125 B8R0.7 C/C=C/CNCC(=O)O 269956a_100016091260_100102629194 [1,0,0,0,0,0|2,0,1]=4 126 B8R0.7 C/C=C/COCC(=O)C 34a_100000211253_100102629194 [1,0,0,0,0,0|1,0,1]=3 127 B8R0.7 C/C=C/COCC(=O)N 34a_100016270725_100000187820 [1,0,0,0,0,0|2,0,1]=4 128 B8R0.7 C/C=C/COCC(=O)[O-] 34a_100016270725_100020667443 [1,0,0,0,0,0|2,0,1]=4 129 B8R0.7 C/C=C/CSCC(=O)N 62a_100000747473_100102629194 [1,0,0,0,0,0|2,0,1]=4 130 B8R0.7 C/C=C/CSCC(=O)N 62a_100102629194_100000747473 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100020667443_100102629194 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.7 C/C=C/CSCC(=O)[O-] 62a_100102629194_100020667443 [1,0,0,0,0,0|2,0,1]=4 133 B8R0.7 C=C(C)COC/C=C/C 34a_100000210245_100102629194 [1,0,0,0,0,0|2,0,1]=4 134 B8R0.7 C=C(C)COC/C=C/C 34a_100016270725_100000748629 [1,0,0,0,0,0|2,0,1]=4 135 B8R0.7 C=C(C)COCC=CC 34a_100000210245_100000070051 [1,0,0,0,0,0|2,0,1]=4 136 B8R0.7 C=C(C)CSC/C=C/C 62a_100000748629_100102629194 [1,0,0,0,0,0|2,0,1]=4 137 B8R0.7 C=C(C)CSC/C=C/C 62a_100102629194_100000211660 [1,0,0,0,0,0|2,0,1]=4 138 B8R0.7 C=C(C)CSCC=CC 62a_100000070051_100000211660 [1,0,0,0,0,0|2,0,1]=4 139 B8R0.7 C=C(C)CSCC=CC 62a_100000748629_100000070051 [1,0,0,0,0,0|2,0,1]=4 140 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,0,0,0,0,0|1,0,2]=4 141 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,0,0,0,0,0|1,0,2]=4 142 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,0,0,0,0,0|1,0,2]=4 143 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 144 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 145 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,0,0,0,0,0|1,0,2]=4 146 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,0,0,0,0,0|1,0,2]=4 147 B8R0.7 C=CCOCCC(=O)C 1458a_200011217002_200000210301 [1,0,0,0,0,0|2,0,1]=4 148 B8R0.7 C=CCOCCC(=O)C 34a_100000759926_100015514636 [1,0,0,0,0,0|2,0,1]=4 149 B8R0.7 C=CCOCCC(=O)C 7a_100000759926_100015514636 [1,0,0,0,0,0|2,0,1]=4 150 B8R0.7 C=CCOCCC(=O)[13CH3] 1458a_200011217002_200025704644 [1,0,0,0,0,0|2,0,1]=4 151 B8R0.7 C=CCOCOC(=O)C 34a_200000210373_100009813279 [1,0,0,0,0,0|1,0,1]=3 152 B8R0.7 C=CCSCCC(=O)C 62a_100000053229_100000210623 [1,0,0,0,0,0|2,0,1]=4 153 B8R0.7 C=CCSCCC(=O)C 62a_100000210623_100000053229 [1,0,0,0,0,0|2,0,1]=4 154 B8R0.7 C=CCSCOC(=O)C 62a_100000076356_100000210623 [1,0,0,0,0,0|1,0,1]=3 155 B8R0.7 C=CCSCOC(=O)C 62a_100000210623_100000076356 [1,0,0,0,0,0|1,0,1]=3 156 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,0,0,0,0,0|1,0,2]=4 157 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,0,0,0,0,0|1,0,2]=4 158 B8R0.7 CC(=O)OCSCC=O 62a_100000076356_200015260668 [1,0,0,0,0,0|2,0,1]=4 159 B8R0.7 CC(=O)OCSCC=O 62a_200015260668_100000076356 [1,0,0,0,0,0|2,0,1]=4 160 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,0,0,0,0,0|0,0,2]=3 161 B8R0.7 CC/C=C\COC(C)C 34a_100000212225_100103147603 [1,0,0,0,0,0|1,0,2]=4 162 B8R0.7 CC/C=C\COC(C)C 34a_100016268518_100000210206 [1,0,0,0,0,0|1,0,2]=4 163 B8R0.7 CC=CCNCC(=O)N 2230a_100000711301_100000070051 [1,0,0,0,0,0|2,0,1]=4 164 B8R0.7 CC=CCOCC(=O)C 34a_100000211253_100000070051 [1,0,0,0,0,0|1,0,1]=3 165 B8R0.7 CC=CCSCC(=O)N 62a_100000070051_100000747473 [1,0,0,0,0,0|2,0,1]=4 166 B8R0.7 CC=CCSCC(=O)N 62a_100000747473_100000070051 [1,0,0,0,0,0|2,0,1]=4 167 B8R0.7 CC=CCSCC(=O)[O-] 62a_100000070051_100020667443 [1,0,0,0,0,0|2,0,1]=4 168 B8R0.7 CC=CCSCC(=O)[O-] 62a_100020667443_100000070051 [1,0,0,0,0,0|2,0,1]=4 169 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,0,0,0,0,0|0,0,2]=3 170 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,0,0,0,0,0|0,0,2]=3 171 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,0,0,0,0,0|1,0,2]=4 172 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,0,0,0,0,0|1,0,2]=4 173 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,0,0,0,0,0|1,0,2]=4 174 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,0,0,0,0,0|1,0,2]=4 175 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,0,0,0,0,0|1,0,2]=4 176 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,0,0,0,0,0|1,0,2]=4 177 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,0,0,0,0,0|1,0,2]=4 178 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,0,0,0,0,0|1,0,2]=4 179 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,0,0,0,0,0|1,0,2]=4 180 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,0,0,0,0,0|2,0,1]=4 181 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,0,0,0,0,0|2,0,1]=4 182 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,0,0,0,0,0|1,0,2]=4 183 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,0,0,0,0,0|1,0,2]=4 184 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,0,0,0,0,0|2,0,1]=4 185 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.3 C/C=C/C(C)OCOC(=O)C 34a_200102604097_100009813279 [0,1,0,0,0,0|1,0,1]=3 187 B10R0.3 C=CCC(=O)CCOC(=O)C 1458a_100000210193_100009814007 [0,1,0,0,0,0|0,0,3]=4 188 B10R0.3 CC#CC(=O)CCOC(=O)C 1458a_100000763181_100009814007 [0,1,0,0,0,0|0,0,3]=4 189 B10R0.3 CC(=O)CCCC(=O)C=CBr 1458a_100016273825_100011215641 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.3 CC(=O)CCCC(=O)C=CCl 1458a_200016279998_100011215641 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.3 CC(=O)CCCC(=O)C=CI 1458a_100016256311_100011215641 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.3 CC(=O)NCCC(=O)C=CBr 1458a_100016273825_100000189650 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.3 CC(=O)NCCC(=O)C=CCl 1458a_200016279998_100000189650 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.3 CC(=O)NCCC(=O)C=CI 1458a_100016256311_100000189650 [0,1,0,0,0,0|2,0,1]=4 195 B10R0.3 CC(=O)OCCC(=O)C=CBr 1458a_100016273825_100009814007 [0,1,0,0,0,0|1,0,1]=3 196 B10R0.3 CC(=O)OCCC(=O)C=CCl 1458a_200016279998_100009814007 [0,1,0,0,0,0|1,0,1]=3 197 B10R0.3 CC(=O)OCCC(=O)C=CI 1458a_100016256311_100009814007 [0,1,0,0,0,0|1,0,1]=3 198 B10R0.3 CC/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020678925 [0,1,0,0,0,0|2,0,1]=4 199 B10R0.3 CC=CC(=O)CCC=C(C)C 1458a_100000210699_100011217483 [0,1,0,0,0,0|2,0,1]=4 200 B10R0.3 CC=CC(=O)CCCC(=O)C 1458a_100000210699_100011215641 [0,1,0,0,0,0|1,0,1]=3 201 B10R0.3 CC=CC(=O)CCCC(=O)N 1458a_100000210699_100102525003 [0,1,0,0,0,0|2,0,1]=4 202 B10R0.3 CC=CC(=O)CCNC(=O)C 1458a_100000210699_100000189650 [0,1,0,0,0,0|1,0,1]=3 203 B10R0.3 CC=CC(=O)CCNC(=O)N 1458a_100000210699_200000034859 [0,1,0,0,0,0|2,0,1]=4 204 B10R0.3 CC=CC(=O)CCOC(=O)C 1458a_100000210699_100009814007 [0,1,0,0,0,0|0,0,1]=2 205 B10R0.3 CC=CC(=O)CCOC(=O)N 1458a_100000210699_200011214921 [0,1,0,0,0,0|1,0,1]=3 206 B10R0.3 CC=CC(=O)CCOC(C)C 1458a_100000210699_100000211751 [0,1,0,0,0,0|1,0,2]=4 207 B10R0.3 CC=CC(=O)NCC=C(C)C 11a_100000718196_100000210699 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.3 CC=CC(=O)NCC=C(C)C 1626a_100000718196_100000210699 [0,1,0,0,0,0|3,0,0]=4 209 B10R0.3 CC=CC(=O)NCCC(=O)N 11a_100000740010_100000210699 [0,1,0,0,0,0|3,0,0]=4 210 B10R0.3 CC=CC(=O)NCCC(=O)N 240690a_100000740010_100000210699 [0,1,0,0,0,0|3,0,0]=4 211 B10R0.3 CCCC(=O)CCOC(=O)C 1458a_100000211992_100009814007 [0,1,0,0,0,0|0,0,3]=4 212 B10R0.3 COCC(=O)CCOC(=O)C 1458a_100000210968_100009814007 [0,1,0,0,0,0|1,0,2]=4 213 B10R0.3 CSCC(=O)CCOC(=O)C 1458a_100000184570_100009814007 [0,1,0,0,0,0|1,0,2]=4 214 B10R0.3 NC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011214921 [0,1,0,0,0,0|2,0,1]=4 215 B10R0.3 NC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011214921 [0,1,0,0,0,0|2,0,1]=4 216 B10R0.3 NC(=O)OCCC(=O)C=CI 1458a_100016256311_200011214921 [0,1,0,0,0,0|2,0,1]=4 217 B10R0.4 C/C=C/C=C/COCC(=O)N 34a_100016283227_100000187820 [0,1,0,0,0,0|1,0,0]=2 218 B10R0.4 C/C=C/C=C/COCC(=O)[O-] 34a_100016283227_100020667443 [0,1,0,0,0,0|1,0,0]=2 219 B10R0.4 C/C=C/C=C/COCC(C)C 34a_100016283227_100000210624 [0,1,0,0,0,0|1,0,1]=3 220 B10R0.4 C/C=C/C=C/COCC(C)O 34a_100016283227_100011218427 [0,1,0,0,0,0|0,0,2]=3 221 B10R0.4 C/C=C/C=C/COCC(F)F 34a_100016283227_100011934356 [0,1,0,0,0,0|2,0,1]=4 222 B10R0.4 C/C=C/C=C/COC[C@@H](C)O 34a_100016283227_100009817552 [0,1,0,0,0,0|0,0,2]=3 223 B10R0.4 C/C=C/C=C/COC[N+](=O)[O-] 34a_100016283227_100000761209 [0,1,0,0,0,0|2,0,0]=3 224 B10R0.4 C/C=C/CCOCOC(=O)C 34a_100016278192_100009813279 [0,1,0,0,0,0|0,0,2]=3 225 B10R0.4 C/C=C/COCCCC(=O)C 34a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 226 B10R0.4 C/C=C/COCCCC(=O)C 34a_100016270725_100000685027 [0,1,0,0,0,0|1,0,2]=4 227 B10R0.4 C/C=C/COCCCC(=O)C 7a_100000759063_100102629194 [0,1,0,0,0,0|1,0,2]=4 228 B10R0.4 C/C=C/COCCNC(=O)C 34a_100000158858_100102629194 [0,1,0,0,0,0|1,0,2]=4 229 B10R0.4 C/C=C/COCCOC(=O)C 34a_100016270725_100009814007 [0,1,0,0,0,0|0,0,2]=3 230 B10R0.4 C/C=C/COCCOC(=O)N 34a_100016270725_200011214921 [0,1,0,0,0,0|1,0,2]=4 231 B10R0.4 C/C=C/COCCOC(=O)N 7a_100000766696_100102629194 [0,1,0,0,0,0|1,0,2]=4 232 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100011215641_100102629194 [0,1,0,0,0,0|1,0,2]=4 233 B10R0.4 C/C=C/CSCCCC(=O)C 62a_100102629194_100011215641 [0,1,0,0,0,0|1,0,2]=4 234 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100000189650_100102629194 [0,1,0,0,0,0|1,0,2]=4 235 B10R0.4 C/C=C/CSCCNC(=O)C 62a_100102629194_100000189650 [0,1,0,0,0,0|1,0,2]=4 236 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100009814007_100102629194 [0,1,0,0,0,0|0,0,2]=3 237 B10R0.4 C/C=C/CSCCOC(=O)C 62a_100102629194_100009814007 [0,1,0,0,0,0|0,0,2]=3 238 B10R0.4 C/C=C/CSCCOC(=O)N 62a_100102629194_200011214921 [0,1,0,0,0,0|1,0,2]=4 239 B10R0.4 C/C=C/CSCCOC(=O)N 62a_200011214921_100102629194 [0,1,0,0,0,0|1,0,2]=4 240 B10R0.4 C=C(C)COC/C=C/C=C/C 34a_100016283227_100000748629 [0,1,0,0,0,0|1,0,0]=2 241 B10R0.4 C=C(C)COC/C=C/CCC 34a_100016278788_100000748629 [0,1,0,0,0,0|1,0,2]=4 242 B10R0.4 C=C(C)COC/C=C/CCC 7a_100016278788_100000748629 [0,1,0,0,0,0|1,0,2]=4 243 B10R0.4 C=C(C)COCC/C=C\CC 34a_100000210245_100015370543 [0,1,0,0,0,0|1,0,2]=4 244 B10R0.4 C=C(C)COCC/C=C\CC 34a_100016288707_100000748629 [0,1,0,0,0,0|1,0,2]=4 245 B10R0.4 C=C(C)COCC/C=C\CC 7a_100016288707_100000748629 [0,1,0,0,0,0|1,0,2]=4 246 B10R0.4 C=C(C)COCCC=C=CC 34a_100011020354_100000748629 [0,1,0,0,0,0|1,0,2]=4 247 B10R0.4 C=C(C)COCCCC=CC 34a_100020645299_100000748629 [0,1,0,0,0,0|1,0,2]=4 248 B10R0.4 C=C(F)COC/C=C/C=C/C 34a_100016283227_100009893438 [0,1,0,0,0,0|1,0,1]=3 249 B10R0.4 CC/C=C\CCOCC(=O)C 34a_100000211253_100015370543 [0,1,0,0,0,0|0,0,2]=3 250 B10R0.4 CC/C=C\CCOCC(=O)N 34a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 251 B10R0.4 CC/C=C\CCOCC(=O)N 7a_100016288707_100000187820 [0,1,0,0,0,0|1,0,2]=4 252 B10R0.4 CC/C=C\CCOCC(=O)[O-] 34a_100016288707_100020667443 [0,1,0,0,0,0|1,0,2]=4 253 B10R0.4 CC/C=C\COCCC(=O)C 34a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 254 B10R0.4 CC/C=C\COCCC(=O)C 7a_100000759926_100103147603 [0,1,0,0,0,0|1,0,2]=4 255 B10R0.4 CC/C=C\COCOC(=O)C 34a_100016268518_100009813279 [0,1,0,0,0,0|0,0,2]=3 256 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100000053229_100103147603 [0,1,0,0,0,0|1,0,2]=4 257 B10R0.4 CC/C=C\CSCCC(=O)C 62a_100103147603_100000053229 [0,1,0,0,0,0|1,0,2]=4 258 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100000076356_100103147603 [0,1,0,0,0,0|0,0,2]=3 259 B10R0.4 CC/C=C\CSCOC(=O)C 62a_100103147603_100000076356 [0,1,0,0,0,0|0,0,2]=3 260 B10R0.4 CC=C=CCCOCC(=O)N 34a_100011020354_100000187820 [0,1,0,0,0,0|1,0,2]=4 261 B10R0.4 CC=C=CCCOCC(=O)[O-] 34a_100011020354_100020667443 [0,1,0,0,0,0|1,0,2]=4 262 B10R0.4 CC=CC=CC=NNC(=O)C 4a_100000189765_100000691131 [0,1,0,0,0,0|1,0,1]=3 263 B10R0.4 CC=CCCCOCC(=O)N 34a_100020645299_100000187820 [0,1,0,0,0,0|1,0,2]=4 264 B10R0.4 CC=CCCCOCC(=O)[O-] 34a_100020645299_100020667443 [0,1,0,0,0,0|1,0,2]=4 265 B10R0.4 CC=CCNCCNC(=O)C 2230a_100000209853_100000070051 [0,1,0,0,0,0|1,0,2]=4 266 B10R0.4 CC=CCOCCCC(=O)C 34a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 267 B10R0.4 CC=CCOCCCC(=O)C 7a_100000759063_100000070051 [0,1,0,0,0,0|1,0,2]=4 268 B10R0.4 CC=CCOCCNC(=O)C 34a_100000158858_100000070051 [0,1,0,0,0,0|1,0,2]=4 269 B10R0.4 CC=CCOCCOC(=O)N 7a_100000766696_100000070051 [0,1,0,0,0,0|1,0,2]=4 270 B10R0.4 CC=CCSCCCC(=O)C 62a_100000070051_100011215641 [0,1,0,0,0,0|1,0,2]=4 271 B10R0.4 CC=CCSCCCC(=O)C 62a_100011215641_100000070051 [0,1,0,0,0,0|1,0,2]=4 272 B10R0.4 CC=CCSCCNC(=O)C 62a_100000070051_100000189650 [0,1,0,0,0,0|1,0,2]=4 273 B10R0.4 CC=CCSCCNC(=O)C 62a_100000189650_100000070051 [0,1,0,0,0,0|1,0,2]=4 274 B10R0.4 CC=CCSCCOC(=O)C 62a_100000070051_100009814007 [0,1,0,0,0,0|0,0,2]=3 275 B10R0.4 CC=CCSCCOC(=O)C 62a_100009814007_100000070051 [0,1,0,0,0,0|0,0,2]=3 276 B10R0.4 CC=CCSCCOC(=O)N 62a_100000070051_200011214921 [0,1,0,0,0,0|1,0,2]=4 277 B10R0.4 CC=CCSCCOC(=O)N 62a_200011214921_100000070051 [0,1,0,0,0,0|1,0,2]=4 278 B10R0.4 CCC/C=C/COCC(=O)N 34a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 279 B10R0.4 CCC/C=C/COCC(=O)N 7a_100016278788_100000187820 [0,1,0,0,0,0|1,0,2]=4 280 B10R0.4 CCC/C=C/COCC(=O)[O-] 34a_100016278788_100020667443 [0,1,0,0,0,0|1,0,2]=4 281 B10R0.4 CCCC=CC=NNC(=O)C 4a_100000189765_100016266791 [0,1,0,0,0,0|2,0,1]=4 282 B10R0.6 C/C=C/C=CC(=O)CC(=O)N 1458a_100000185730_100000187820 [0,1,0,0,0,0|2,0,1]=4 283 B10R0.6 C/C=C/C=CC(=O)CC(=O)[O-] 1458a_100000185730_100020667443 [0,1,0,0,0,0|2,0,1]=4 284 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [0,1,0,0,0,0|1,0,1]=3 285 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [0,1,0,0,0,0|1,0,1]=3 286 B10R0.6 C=C(C)CC(=O)C=C/C=C/C 1458a_100000185730_100000748629 [0,1,0,0,0,0|2,0,1]=4 287 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [0,1,0,0,0,0|1,0,1]=3 288 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [0,1,0,0,0,0|1,0,1]=3 289 B10R0.22 C/C=C/C=C/COC(C)(C)C 34a_100016283227_100000210625 [0,1,0,0,0,0|1,0,1]=3 290 B10R0.22 C/C=C/C=C/COC(F)(F)F 34a_100016283227_200103152311 [0,1,0,0,0,0|2,0,1]=4 291 B10R0.55 C=CC(=O)CCCOC(=O)C 1458a_100000185746_100000042594 [0,1,0,0,0,0|0,0,3]=4 292 B10R0.55 C=CC(=O)NCCOC(=O)C 240690a_100000724843_200121576911 [0,1,0,0,0,0|1,0,2]=4 293 B10R0.55 CCC(=O)CCCOC(=O)C 1458a_100000210414_100000042594 [0,1,0,0,0,0|0,0,3]=4 294 B10R0.55 CCC(=O)COCOC(=O)C 34a_100000725409_100009813279 [0,1,0,0,0,0|1,0,2]=4 295 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000076356_100000747405 [0,1,0,0,0,0|1,0,2]=4 296 B10R0.55 CCC(=O)CSCOC(=O)C 62a_100000747405_100000076356 [0,1,0,0,0,0|1,0,2]=4 297 B10R0.55 CCC(=O)NCCOC(=O)C 11a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 298 B10R0.55 CCC(=O)NCCOC(=O)C 240690a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 299 B10R0.55 CCC(=O)NCCOC(=O)C 527a_100000724843_100000210414 [0,1,0,0,0,0|1,0,2]=4 300 B10R0.55 CNC(=O)COCOC(=O)C 34a_100000750040_100009813279 [0,1,0,0,0,0|2,0,1]=4 301 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000076356_100000183359 [0,1,0,0,0,0|2,0,1]=4 302 B10R0.55 CNC(=O)CSCOC(=O)C 62a_100000183359_100000076356 [0,1,0,0,0,0|2,0,1]=4 303 B10R0.55 CNC(=O)NCCOC(=O)C 2708a_100102657272_100000724843 [0,1,0,0,0,0|2,0,1]=4 304 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100000724843_100102657272 [0,1,0,0,0,0|2,0,1]=4 305 B10R0.55 CNC(=O)NCCOC(=O)C 273464a_100102657272_100000724843 [0,1,0,0,0,0|2,0,1]=4 306 B10R0.55 CNC(=O)NCCOC(=O)C 512a_100000724843_100102657272 [0,1,0,0,0,0|2,0,1]=4 307 B10R0.55 CNC(=O)NCCOC(=O)C 512a_106832991638_100000724843 [0,1,0,0,0,0|2,0,1]=4 308 B10R0.55 COC(=O)/C=C/COC(C)C 34a_100000212225_100000742655 [0,1,0,0,0,0|2,0,1]=4 309 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000076356_100000747449 [0,1,0,0,0,0|2,0,1]=4 310 B10R0.55 COC(=O)CSCOC(=O)C 62a_100000747449_100000076356 [0,1,0,0,0,0|2,0,1]=4 311 B10R0.74 C#CC(C)OC/C=C/C=C/C 34a_100016283227_200000035995 [0,1,0,0,0,0|1,0,1]=3 312 B10R0.74 C/C=C/C=C/COC(C)CC 34a_100016283227_100011215416 [0,1,0,0,0,0|1,0,1]=3 313 B10R0.74 C/C=C/C=C/COC(C)CO 34a_100016283227_100012180447 [0,1,0,0,0,0|0,0,2]=3 314 B10R0.74 C/C=C/CNCCC(=O)NC 34a_100000738227_100102629194 [0,1,0,0,0,0|2,0,1]=4 315 B10R0.74 C/C=C/COCCC(=O)NC 34a_100000754576_100102629194 [0,1,0,0,0,0|2,0,1]=4 316 B10R0.74 C/C=C/COCCC(=O)NC 34a_100016270725_100012179268 [0,1,0,0,0,0|2,0,1]=4 317 B10R0.74 C/C=C/COCCC(=O)OC 34a_100016270725_100000742370 [0,1,0,0,0,0|2,0,1]=4 318 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100000737683_100102629194 [0,1,0,0,0,0|2,0,1]=4 319 B10R0.74 C/C=C/CSCCC(=O)NC 62a_100102629194_100000737683 [0,1,0,0,0,0|2,0,1]=4 320 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100000204255_100102629194 [0,1,0,0,0,0|2,0,1]=4 321 B10R0.74 C/C=C/CSCCC(=O)OC 62a_100102629194_100000204255 [0,1,0,0,0,0|2,0,1]=4 322 B10R0.74 C/C=C/CSCOC(=O)OC 62a_100102629194_100000139417 [0,1,0,0,0,0|1,0,1]=3 323 B10R0.74 CC=CCNCCC(=O)NC 2230a_100000738227_100000070051 [0,1,0,0,0,0|2,0,1]=4 324 B10R0.74 CC=CCNCCC(=O)NC 34a_100000738227_100000070051 [0,1,0,0,0,0|2,0,1]=4 325 B10R0.74 CC=CCOCCC(=O)NC 34a_100000754576_100000070051 [0,1,0,0,0,0|2,0,1]=4 326 B10R0.74 CC=CCSCCC(=O)NC 62a_100000070051_100000737683 [0,1,0,0,0,0|2,0,1]=4 327 B10R0.74 CC=CCSCCC(=O)NC 62a_100000737683_100000070051 [0,1,0,0,0,0|2,0,1]=4 328 B10R0.74 CC=CCSCCC(=O)OC 62a_100000070051_100000204255 [0,1,0,0,0,0|2,0,1]=4 329 B10R0.74 CC=CCSCCC(=O)OC 62a_100000204255_100000070051 [0,1,0,0,0,0|2,0,1]=4 330 B10R0.74 CC=CCSCOC(=O)OC 62a_100000070051_100000139417 [0,1,0,0,0,0|1,0,1]=3 331 B10R0.74 CCC=CC=NNC(=O)CC 4a_100000183195_100011216943 [0,1,0,0,0,0|2,0,1]=4 332 B10R0.75 C/C=C/COCC(=O)C(=O)C 34a_100016270725_100011261029 [0,1,0,0,0,0|2,0,1]=4 333 B10R0.75 C/C=C/COCC(C)C(=O)C 34a_100000032740_100102629194 [0,1,0,0,0,0|2,0,1]=4 334 B10R0.75 C/C=C/COCC(C)C(=O)C 7a_100000032740_100102629194 [0,1,0,0,0,0|2,0,1]=4 335 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100011261029_100102629194 [0,1,0,0,0,0|2,0,1]=4 336 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100102629194_100011261029 [0,1,0,0,0,0|2,0,1]=4 337 B10R0.75 CC=CCOCC(C)C(=O)C 34a_100000032740_100000070051 [0,1,0,0,0,0|2,0,1]=4 338 B10R0.75 CC=CCOCC(C)C(=O)C 7a_100000032740_100000070051 [0,1,0,0,0,0|2,0,1]=4 339 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100000070051_100011261029 [0,1,0,0,0,0|2,0,1]=4 340 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100011261029_100000070051 [0,1,0,0,0,0|2,0,1]=4 341 B10R0.78 C/C=C/CC(=O)CC=C(C)C 1458a_100011220947_100102629194 [0,1,0,0,0,0|2,0,1]=4 342 B10R0.78 C/C=C/CC(=O)CCC(=O)N 1458a_100011215257_100102629194 [0,1,0,0,0,0|2,0,1]=4 343 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,1,0,0,0,0|1,0,1]=3 344 B10R0.78 C/C=C/CC(=O)CNC(=O)N 1458a_100000184981_100102629194 [0,1,0,0,0,0|2,0,1]=4 345 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,1,0,0,0,0|0,0,1]=2 346 B10R0.78 C/C=C/CC(=O)COC(C)C 1458a_100000745533_100102629194 [0,1,0,0,0,0|1,0,2]=4 347 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,1,0,0,0,0|0,1,1]=3 348 B10R0.78 C=C(C)CCC(=O)C/C=C/C 1458a_200000688413_100102629194 [0,1,0,0,0,0|2,0,1]=4 349 B10R0.78 C=C(C)CCC(=O)C=CCC 1458a_100000212282_100000730704 [0,1,0,0,0,0|2,0,1]=4 350 B10R0.78 C=C(C)CCC(=O)C=COC 1458a_100016268678_100000730704 [0,1,0,0,0,0|3,0,0]=4 351 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_100121576822_100000730704 [0,1,0,0,0,0|2,0,1]=4 352 B10R0.78 C=C(C)CCC(=O)CC=CC 1458a_200000688413_100000070051 [0,1,0,0,0,0|2,0,1]=4 353 B10R0.78 C=CC=CC(=O)CC=C(C)C 1458a_100016291481_100000761012 [0,1,0,0,0,0|2,0,1]=4 354 B10R0.78 C=CC=CC(=O)CCC(=C)C 1458a_100016291481_100000730704 [0,1,0,0,0,0|2,0,1]=4 355 B10R0.78 C=CC=CC(=O)NNC(=O)C 22a_100000189765_100016291481 [0,1,0,0,0,0|2,0,1]=4 356 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,1,0,0,0,0|0,0,3]=4 357 B10R0.78 C=CCNC(=O)COC(=O)C 1626a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 358 B10R0.78 C=CCNC(=O)COC(=O)C 240690a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 359 B10R0.78 C=CCNC(=O)COC(=O)C 527a_100020586998_100000183556 [0,1,0,0,0,0|1,0,2]=4 360 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,1,0,0,0,0|0,0,3]=4 361 B10R0.78 CC=CCC(=O)CC=C(C)C 1458a_100011220947_100000070051 [0,1,0,0,0,0|2,0,1]=4 362 B10R0.78 CC=CCC(=O)CC=C(C)C 1458a_100121576822_100000761012 [0,1,0,0,0,0|2,0,1]=4 363 B10R0.78 CC=CCC(=O)CCC(=O)N 1458a_100011215257_100000070051 [0,1,0,0,0,0|2,0,1]=4 364 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,1,0,0,0,0|1,0,1]=3 365 B10R0.78 CC=CCC(=O)CNC(=O)N 1458a_100000184981_100000070051 [0,1,0,0,0,0|2,0,1]=4 366 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,1,0,0,0,0|0,0,1]=2 367 B10R0.78 CC=CCC(=O)COC(C)C 1458a_100000745533_100000070051 [0,1,0,0,0,0|1,0,2]=4 368 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,1,0,0,0,0|0,1,1]=3 369 B10R0.78 CC=CCC(=O)NNC(=O)C 22a_100000189765_100121576822 [0,1,0,0,0,0|2,0,1]=4 370 B10R0.78 CCC=CC(=O)CC=C(C)C 1458a_100000212282_100000761012 [0,1,0,0,0,0|2,0,1]=4 371 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,1,0,0,0,0|2,0,1]=4 372 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,1,0,0,0,0|0,0,3]=4 373 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 374 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 375 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,1,0,0,0,0|1,0,2]=4 376 B10R0.78 CCNN=C(C)COC(=O)C 4a_100000756455_100000000629 [0,1,0,0,0,0|2,0,1]=4 377 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,1,0,0,0,0|2,0,1]=4 378 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,1,0,0,0,0|1,0,2]=4 379 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,1,0,0,0,0|1,0,2]=4 380 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,1,0,0,0,0|1,0,2]=4 381 B10R0.78 COC=CC(=NNC(=O)C)C 4a_100000189765_100102564965 [0,1,0,0,0,0|3,0,0]=4 382 B10R0.78 COC=CC(=O)CC=C(C)C 1458a_100016268678_100000761012 [0,1,0,0,0,0|3,0,0]=4 383 B10R0.78 COC=CC(=O)NNC(=O)C 22a_100000189765_100016268678 [0,1,0,0,0,0|3,0,0]=4 384 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,1,0,0,0,0|1,0,2]=4 385 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,1,0,0,0,0|1,0,2]=4 386 B10R0.97 C=C(C)CCOCOC(=O)C 34a_100000764851_100009813279 [0,1,0,0,0,0|1,0,2]=4 387 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000076356_100000730704 [0,1,0,0,0,0|1,0,2]=4 388 B10R0.97 C=C(C)CCSCOC(=O)C 62a_100000730704_100000076356 [0,1,0,0,0,0|1,0,2]=4 389 B10R0.97 C=C(C)COCCOC(=O)C 34a_100000210245_100009814007 [0,1,0,0,0,0|1,0,2]=4 390 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100000748629_100009814007 [0,1,0,0,0,0|1,0,2]=4 391 B10R0.97 C=C(C)CSCCOC(=O)C 62a_100009814007_100000211660 [0,1,0,0,0,0|1,0,2]=4 392 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [0,1,0,0,0,0|0,0,3]=4 393 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [0,1,0,0,0,0|2,0,1]=4 394 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [0,1,0,0,0,0|2,0,1]=4 395 B10R0.97 CC(=O)CCOCOC(=O)C 34a_100000759926_100009813279 [0,1,0,0,0,0|1,0,2]=4 396 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [0,1,0,0,0,0|2,0,1]=4 397 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [0,1,0,0,0,0|2,0,1]=4 398 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000053229_100000076356 [0,1,0,0,0,0|1,0,2]=4 399 B10R0.97 CC(=O)CCSCOC(=O)C 62a_100000076356_100000053229 [0,1,0,0,0,0|1,0,2]=4 400 B10R0.97 CC(=O)COCCOC(=O)C 34a_100000211253_100009814007 [0,1,0,0,0,0|1,0,2]=4 401 B10R0.97 CC(=O)NN=CC=CN(C)C 4a_100000189765_100000735856 [0,1,0,0,0,0|3,0,0]=4 402 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [0,1,0,0,0,0|1,0,1]=3 403 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [0,1,0,0,0,0|1,0,1]=3 404 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [0,1,0,0,0,0|1,0,1]=3 405 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [0,1,0,0,0,0|1,0,1]=3 406 B10R0.97 CC(=O)OCSCOC(=O)C 62a_100000076356_100000076356 [0,1,0,0,0,0|2,0,1]=4 407 B10R1.10 CC=Cc1cc[nH]c(=O)c1 271570a_100016259895_100009816521 [0,0,0,1,0,0|1,0,2]=4 408 B10R1.10 CC=Cc1cc[nH]c(=O)n1 271570a_100016259895_200000134032 [0,0,0,1,0,0|2,0,1]=4 409 B10R1.10 CC=Cc1cccc(=O)[nH]1 271570a_100016259895_100000761760 [0,0,0,1,0,0|2,0,1]=4 410 B10R1.10 CC=Cc1cccc(c1)C 271570a_100016259895_100011215228 [0,0,0,1,0,0|2,0,1]=4 411 B10R1.10 CC=Cc1cccc(n1)C 271570a_100016259895_100000742759 [0,0,0,1,0,0|2,0,1]=4 412 B10R1.10 CC=Cc1ccnc(c1)C 271570a_100016259895_100000758586 [0,0,0,1,0,0|2,0,1]=4 413 B10R1.10 CC=Cc1ccnc(n1)C 271570a_100016259895_100000749937 [0,0,0,1,0,0|2,0,1]=4 414 B10R1.10 CC=Cc1cn[nH]c(=O)c1 271570a_100016259895_100010197405 [0,0,0,1,0,0|2,0,1]=4 415 B10R1.10 CC=Cc1cncc(c1)C 271570a_100016259895_100000760492 [0,0,0,1,0,0|3,0,0]=4 416 B10R1.10 CC=Cc1cncc(n1)C 271570a_100016259895_100009842155 [0,0,0,1,0,0|3,0,0]=4 417 B10R1.16 CC=CCN1CNC(=O)C1 2230a_200000708111_100000070051 [0,0,0,1,0,0|2,0,1]=4 418 B10R1.16 CCC=Cc1noc(n1)C 270196a_100016260345_100000070787 [0,0,0,1,0,0|2,0,1]=4 419 B10R1.16 CCNN=C1COC(=O)C1 4a_100000756455_100000211896 [0,0,0,1,0,0|2,0,1]=4 420 B10R1.18 CC(=O)C[n+]1ccccc1 1458a_200000086051_200000210301 [0,0,0,1,0,0|2,0,1]=4 421 B10R1.18 CC(=O)Cc1ccccc1 1458a_100000070787_100015291786 [0,0,0,1,0,0|1,0,2]=4 422 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000070787_100000721315 [0,0,0,1,0,0|2,0,1]=4 423 B10R1.18 CC(=O)Cc1ccccn1 1458a_100000233486_200000210301 [0,0,0,1,0,0|2,0,1]=4 424 B10R1.18 CC(=O)Nc1ccccc1 11a_100000106764_100015343762 [0,0,0,1,0,0|1,0,2]=4 425 B10R1.18 CC(=O)Nc1ccccc1 1626a_100000106764_100015343762 [0,0,0,1,0,0|1,0,2]=4 426 B10R1.18 CC(=O)Nc1ccccc1 22a_100000106764_100000070787 [0,0,0,1,0,0|1,0,2]=4 427 B10R1.18 CC(=O)Nc1ccccc1 527a_100000106764_100103153847 [0,0,0,1,0,0|1,0,2]=4 428 B10R1.18 [13CH3]C(=O)C[n+]1ccccc1 1458a_200000086051_200025704644 [0,0,0,1,0,0|2,0,1]=4 429 B10R1.18 [13CH3]C(=O)Cc1ccccn1 1458a_100000233486_200025704644 [0,0,0,1,0,0|2,0,1]=4 430 B10R1.24 C/C=C/CSC1CC(=O)C1 62a_100009894365_100102629194 [0,0,0,1,0,0|2,0,1]=4 431 B10R1.24 CC=CCSC1CC(=O)C1 62a_100009894365_100000070051 [0,0,0,1,0,0|2,0,1]=4 432 B10R1.39 C=Cc1ccsc1C(=O)C 271570a_100011290941_100000738688 [0,0,0,1,0,0|2,0,1]=4 433 B10R1.39 CC(=O)c1sccc1S[13CH3] 62a_100000738688_200025704644 [0,0,0,1,0,0|3,0,0]=4 434 B10R1.39 CCC1C=CCN1C(=O)C 11a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 435 B10R1.39 CCC1C=CCN1C(=O)C 1626a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 436 B10R1.39 CCC1C=CCN1C(=O)C 240690a_100000730860_100015343762 [0,0,0,1,0,0|1,0,2]=4 437 B10R1.39 CCC1C=CCN1C(=O)C 527a_100000730860_100103153847 [0,0,0,1,0,0|1,0,2]=4 438 B10R1.39 CSc1ccsc1C(=O)C 62a_100000738688_200000210301 [0,0,0,1,0,0|3,0,0]=4 439 B10R1.61 C=C(C)c1ccccc1C 271570a_100000694244_100000210755 [0,0,0,1,0,0|2,0,1]=4 440 B10R1.61 C=C(C)c1ncccc1C 271570a_100000694244_100000751373 [0,0,0,1,0,0|3,0,0]=4 441 B10R1.61 CC(=O)c1ccccc1Br 1458a_100000188424_200000210301 [0,0,0,1,0,0|2,0,1]=4 442 B10R1.61 CC(=O)c1ccccc1C 1458a_100000212026_200000210301 [0,0,0,1,0,0|1,0,1]=3 443 B10R1.61 CC(=O)c1ccccc1Cl 1458a_100000185844_200000210301 [0,0,0,1,0,0|2,0,1]=4 444 B10R1.61 CC(=O)c1ccccc1F 1458a_100000188656_200000210301 [0,0,0,1,0,0|2,0,1]=4 445 B10R1.61 CC(=O)c1ccccc1I 1458a_100000187884_200000210301 [0,0,0,1,0,0|2,0,1]=4 446 B10R1.61 CC(=O)c1ccccc1O 1458a_100015234032_200000210301 [0,0,0,1,0,0|2,0,1]=4 447 B10R1.61 CC(=O)c1ccccc1O 271570a_203496583355_100000751169 [0,0,0,1,0,0|2,0,1]=4 448 B10R1.61 CC(=O)c1ccccc1[O-] 1458a_100009911694_200000210301 [0,0,0,1,0,0|2,0,1]=4 449 B10R1.61 CC(=O)c1ncccc1O 271570a_203496583355_100012348690 [0,0,0,1,0,0|3,0,0]=4 450 B10R1.61 Cc1ccccc1C(=O)[13CH3] 1458a_100000212026_200025704644 [0,0,0,1,0,0|1,0,1]=3 451 B10R1.61 [13CH3]C(=O)c1ccccc1Br 1458a_100000188424_200025704644 [0,0,0,1,0,0|2,0,1]=4 452 B10R1.61 [13CH3]C(=O)c1ccccc1Cl 1458a_100000185844_200025704644 [0,0,0,1,0,0|2,0,1]=4 453 B10R1.61 [13CH3]C(=O)c1ccccc1F 1458a_100000188656_200025704644 [0,0,0,1,0,0|2,0,1]=4 454 B10R1.61 [13CH3]C(=O)c1ccccc1I 1458a_100000187884_200025704644 [0,0,0,1,0,0|2,0,1]=4 455 B10R1.61 [13CH3]C(=O)c1ccccc1O 1458a_100015234032_200025704644 [0,0,0,1,0,0|2,0,1]=4 456 B10R1.61 [13CH3]C(=O)c1ccccc1[O-] 1458a_100009911694_200025704644 [0,0,0,1,0,0|2,0,1]=4 457 B10R1.64 CC(=O)Cn1ccnc1C 1458a_100000740315_200000210301 [0,0,0,1,0,0|3,0,0]=4 458 B10R1.64 CC(=O)Cn1nccc1C 1458a_100000759144_200000210301 [0,0,0,1,0,0|3,0,0]=4 459 B10R1.64 Cc1ccnn1CC(=O)[13CH3] 1458a_100000759144_200025704644 [0,0,0,1,0,0|3,0,0]=4 460 B10R1.64 Cc1nccn1CC(=O)[13CH3] 1458a_100000740315_200025704644 [0,0,0,1,0,0|3,0,0]=4 461 B10R1.66 CC(=O)C=Cc1cccs1 1458a_100000182767_200000210301 [0,0,0,1,0,0|2,0,1]=4 462 B10R1.66 CC(=O)CCN1CC=CC1 269982a_100015195280_100000053229 [0,0,0,1,0,0|2,0,1]=4 463 B10R1.66 CC(=O)CCc1c[nH]cn1 1458a_100000070787_100020628418 [0,0,0,1,0,0|3,0,0]=4 464 B10R1.66 CC(=O)CCc1cc[nH]c1 1458a_200000093579_200000210301 [0,0,0,1,0,0|2,0,1]=4 465 B10R1.66 CC(=O)CCc1ccc[nH]1 1458a_200011998680_200000210301 [0,0,0,1,0,0|2,0,0]=3 466 B10R1.66 CC(=O)CCc1ccco1 1458a_100000185103_200000210301 [0,0,0,1,0,0|2,0,0]=3 467 B10R1.66 CC(=O)CCc1cccs1 1458a_100000070787_100000748579 [0,0,0,1,0,0|2,0,0]=3 468 B10R1.66 CC(=O)CCc1cccs1 1458a_100000185280_200000210301 [0,0,0,1,0,0|2,0,0]=3 469 B10R1.66 CC(=O)CCc1ccsc1 1458a_100000195497_200000210301 [0,0,0,1,0,0|2,0,1]=4 470 B10R1.66 CC(=O)CCc1cnc[nH]1 1458a_100000044180_200000210301 [0,0,0,1,0,0|3,0,0]=4 471 B10R1.66 CC(=O)CCc1cncs1 1458a_100012184922_200000210301 [0,0,0,1,0,0|3,0,0]=4 472 B10R1.66 CC(=O)CCc1ncc[nH]1 1458a_100000722789_200000210301 [0,0,0,1,0,0|3,0,0]=4 473 B10R1.66 CC(=O)CCc1nccs1 1458a_100000742873_200000210301 [0,0,0,1,0,0|3,0,0]=4 474 B10R1.66 CC(=O)CCn1cccc1 1458a_100000070787_200000035178 [0,0,0,1,0,0|2,0,1]=4 475 B10R1.66 CC(=O)CCn1cccc1 1458a_100011196273_200000210301 [0,0,0,1,0,0|2,0,1]=4 476 B10R1.66 CC(=O)CCn1cccn1 1458a_100000070787_100000685285 [0,0,0,1,0,0|3,0,0]=4 477 B10R1.66 CC(=O)CCn1cccn1 1458a_100000242649_200000210301 [0,0,0,1,0,0|3,0,0]=4 478 B10R1.66 CC(=O)NCc1c[nH]cn1 11a_100000758547_100015343762 [0,0,0,1,0,0|3,0,0]=4 479 B10R1.66 CC(=O)NCc1c[nH]cn1 240690a_100000758547_100015343762 [0,0,0,1,0,0|3,0,0]=4 480 B10R1.66 CC(=O)NCc1c[nH]cn1 527a_100000758547_100103153847 [0,0,0,1,0,0|3,0,0]=4 481 B10R1.66 CC(=O)NCc1cc[nH]n1 11a_100000739516_100015343762 [0,0,0,1,0,0|3,0,0]=4 482 B10R1.66 CC(=O)NCc1cc[nH]n1 240690a_100000739516_100015343762 [0,0,0,1,0,0|3,0,0]=4 483 B10R1.66 CC(=O)NCc1cc[nH]n1 527a_100000739516_100103153847 [0,0,0,1,0,0|3,0,0]=4 484 B10R1.66 CC(=O)NCc1ccc[nH]1 11a_100000764082_100015343762 [0,0,0,1,0,0|2,0,0]=3 485 B10R1.66 CC(=O)NCc1ccc[nH]1 240690a_100000764082_100015343762 [0,0,0,1,0,0|2,0,0]=3 486 B10R1.66 CC(=O)NCc1ccc[nH]1 527a_100000764082_100103153847 [0,0,0,1,0,0|2,0,0]=3 487 B10R1.66 CC(=O)NCc1ccco1 11a_100000185738_100015343762 [0,0,0,1,0,0|2,0,0]=3 488 B10R1.66 CC(=O)NCc1ccco1 1626a_100000185738_100015343762 [0,0,0,1,0,0|2,0,0]=3 489 B10R1.66 CC(=O)NCc1ccco1 240690a_100000185738_100015343762 [0,0,0,1,0,0|2,0,0]=3 490 B10R1.66 CC(=O)NCc1ccco1 527a_100000185738_100103153847 [0,0,0,1,0,0|2,0,0]=3 491 B10R1.66 CC(=O)NCc1cccs1 11a_100000211653_100015343762 [0,0,0,1,0,0|2,0,0]=3 492 B10R1.66 CC(=O)NCc1cccs1 1626a_100000211653_100015343762 [0,0,0,1,0,0|2,0,0]=3 493 B10R1.66 CC(=O)NCc1cccs1 240690a_100000211653_100015343762 [0,0,0,1,0,0|2,0,0]=3 494 B10R1.66 CC(=O)NCc1cccs1 527a_100000211653_100103153847 [0,0,0,1,0,0|2,0,0]=3 495 B10R1.66 CC(=O)NCc1ccoc1 11a_100015206860_100015343762 [0,0,0,1,0,0|2,0,1]=4 496 B10R1.66 CC(=O)NCc1ccoc1 1626a_100015206860_100015343762 [0,0,0,1,0,0|2,0,1]=4 497 B10R1.66 CC(=O)NCc1ccoc1 240690a_100015206860_100015343762 [0,0,0,1,0,0|2,0,1]=4 498 B10R1.66 CC(=O)NCc1ccoc1 527a_100015206860_100103153847 [0,0,0,1,0,0|2,0,1]=4 499 B10R1.66 CC(=O)NCc1ccon1 11a_100000688301_100015343762 [0,0,0,1,0,0|3,0,0]=4 500 B10R1.66 CC(=O)NCc1ccon1 240690a_100000688301_100015343762 [0,0,0,1,0,0|3,0,0]=4 501 B10R1.66 CC(=O)NCc1ccon1 527a_100000688301_100103153847 [0,0,0,1,0,0|3,0,0]=4 502 B10R1.66 CC(=O)NCc1ccsc1 11a_100000186416_100015343762 [0,0,0,1,0,0|2,0,1]=4 503 B10R1.66 CC(=O)NCc1ccsc1 1626a_100000186416_100015343762 [0,0,0,1,0,0|2,0,1]=4 504 B10R1.66 CC(=O)NCc1ccsc1 240690a_100000186416_100015343762 [0,0,0,1,0,0|2,0,1]=4 505 B10R1.66 CC(=O)NCc1ccsc1 527a_100000186416_100103153847 [0,0,0,1,0,0|2,0,1]=4 506 B10R1.66 CC(=O)NCc1cnco1 11a_100020634212_100015343762 [0,0,0,1,0,0|3,0,0]=4 507 B10R1.66 CC(=O)NCc1cnco1 240690a_100020634212_100015343762 [0,0,0,1,0,0|3,0,0]=4 508 B10R1.66 CC(=O)NCc1cnco1 527a_100020634212_100103153847 [0,0,0,1,0,0|3,0,0]=4 509 B10R1.66 CC(=O)NCc1cncs1 11a_100016987365_100015343762 [0,0,0,1,0,0|3,0,0]=4 510 B10R1.66 CC(=O)NCc1cncs1 240690a_100016987365_100015343762 [0,0,0,1,0,0|3,0,0]=4 511 B10R1.66 CC(=O)NCc1cncs1 527a_100016987365_100103153847 [0,0,0,1,0,0|3,0,0]=4 512 B10R1.66 CC(=O)NCc1cocn1 11a_100015188801_100015343762 [0,0,0,1,0,0|3,0,0]=4 513 B10R1.66 CC(=O)NCc1cocn1 240690a_100015188801_100015343762 [0,0,0,1,0,0|3,0,0]=4 514 B10R1.66 CC(=O)NCc1cocn1 527a_100015188801_100103153847 [0,0,0,1,0,0|3,0,0]=4 515 B10R1.66 CC(=O)NCc1cscn1 11a_100015185402_100015343762 [0,0,0,1,0,0|3,0,0]=4 516 B10R1.66 CC(=O)NCc1cscn1 1626a_100015185402_100015343762 [0,0,0,1,0,0|3,0,0]=4 517 B10R1.66 CC(=O)NCc1cscn1 240690a_100015185402_100015343762 [0,0,0,1,0,0|3,0,0]=4 518 B10R1.66 CC(=O)NCc1cscn1 527a_100015185402_100103153847 [0,0,0,1,0,0|3,0,0]=4 519 B10R1.66 CC(=O)NCc1ncc[nH]1 11a_100000754540_100015343762 [0,0,0,1,0,0|3,0,0]=4 520 B10R1.66 CC(=O)NCc1ncc[nH]1 240690a_100000754540_100015343762 [0,0,0,1,0,0|3,0,0]=4 521 B10R1.66 CC(=O)NCc1ncc[nH]1 527a_100000754540_100103153847 [0,0,0,1,0,0|3,0,0]=4 522 B10R1.66 CC(=O)NCc1ncco1 11a_100016994969_100015343762 [0,0,0,1,0,0|3,0,0]=4 523 B10R1.66 CC(=O)NCc1ncco1 1626a_100016994969_100015343762 [0,0,0,1,0,0|3,0,0]=4 524 B10R1.66 CC(=O)NCc1ncco1 240690a_100016994969_100015343762 [0,0,0,1,0,0|3,0,0]=4 525 B10R1.66 CC(=O)NCc1ncco1 527a_100016994969_100103153847 [0,0,0,1,0,0|3,0,0]=4 526 B10R1.66 CC(=O)NCc1nccs1 11a_100000740555_100015343762 [0,0,0,1,0,0|3,0,0]=4 527 B10R1.66 CC(=O)NCc1nccs1 1626a_100000740555_100015343762 [0,0,0,1,0,0|3,0,0]=4 528 B10R1.66 CC(=O)NCc1nccs1 240690a_100000740555_100015343762 [0,0,0,1,0,0|3,0,0]=4 529 B10R1.66 CC(=O)NCc1nccs1 527a_100000740555_100103153847 [0,0,0,1,0,0|3,0,0]=4 530 B10R1.66 CC(=O)NN=C1C=CCC1 4a_100000189765_100000239507 [0,0,0,1,0,0|2,0,1]=4 531 B10R1.66 CC(=O)NN=C1CC=CC1 4a_100000189765_100000766571 [0,0,0,1,0,0|2,0,1]=4 532 B10R1.66 CC(=O)OCN1CC=CC1 269982a_100015195280_100000076356 [0,0,0,1,0,0|1,0,1]=3 533 B10R1.66 CC(C)OCc1ccco1 34a_100000210059_100000210206 [0,0,0,1,0,0|2,0,1]=4 534 B10R1.66 CC(C)OCc1cccs1 34a_100000211240_100000210206 [0,0,0,1,0,0|2,0,1]=4 535 B10R1.66 [13CH3]C(=O)C=Cc1cccs1 1458a_100000182767_200025704644 [0,0,0,1,0,0|2,0,1]=4 536 B10R1.66 [13CH3]C(=O)CCc1cc[nH]c1 1458a_200000093579_200025704644 [0,0,0,1,0,0|2,0,1]=4 537 B10R1.66 [13CH3]C(=O)CCc1ccc[nH]1 1458a_200011998680_200025704644 [0,0,0,1,0,0|2,0,0]=3 538 B10R1.66 [13CH3]C(=O)CCc1ccco1 1458a_100000185103_200025704644 [0,0,0,1,0,0|2,0,0]=3 539 B10R1.66 [13CH3]C(=O)CCc1cccs1 1458a_100000185280_200025704644 [0,0,0,1,0,0|2,0,0]=3 540 B10R1.66 [13CH3]C(=O)CCc1ccsc1 1458a_100000195497_200025704644 [0,0,0,1,0,0|2,0,1]=4 541 B10R1.66 [13CH3]C(=O)CCc1cnc[nH]1 1458a_100000044180_200025704644 [0,0,0,1,0,0|3,0,0]=4 542 B10R1.66 [13CH3]C(=O)CCc1cncs1 1458a_100012184922_200025704644 [0,0,0,1,0,0|3,0,0]=4 543 B10R1.66 [13CH3]C(=O)CCc1ncc[nH]1 1458a_100000722789_200025704644 [0,0,0,1,0,0|3,0,0]=4 544 B10R1.66 [13CH3]C(=O)CCc1nccs1 1458a_100000742873_200025704644 [0,0,0,1,0,0|3,0,0]=4 545 B10R1.66 [13CH3]C(=O)CCn1cccc1 1458a_100011196273_200025704644 [0,0,0,1,0,0|2,0,1]=4 546 B10R1.66 [13CH3]C(=O)CCn1cccn1 1458a_100000242649_200025704644 [0,0,0,1,0,0|3,0,0]=4 547 B10R1.177 C/C=C/C=C/COC1CC1 34a_100016283227_100000211595 [0,0,0,1,0,0|1,0,1]=3 548 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 549 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 550 B7R0.1 C/C=C/C=C/COC 34a_100016283227_200000210301 [2,0,0,0,0,0|0,0,0]=2 551 B7R0.1 C/C=C/C=C/CO[13CH3] 34a_100016283227_200025704644 [2,0,0,0,0,0|0,0,0]=2 552 B7R0.1 C/C=C/CCOCC 34a_100016278192_100000210202 [2,0,0,0,0,0|0,0,2]=4 553 B7R0.1 C/C=C/COCC=O 34a_100016270725_200009817547 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.1 C/C=C/CSCC=O 62a_100102629194_200015260668 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.1 C/C=C/CSCC=O 62a_200015260668_100102629194 [2,0,0,0,0,0|1,0,1]=4 556 B7R0.1 C/C=C/CSCOC 62a_100000766300_100102629194 [2,0,0,0,0,0|1,0,1]=4 557 B7R0.1 C/C=C/CSCOC 62a_100102629194_100000766300 [2,0,0,0,0,0|1,0,1]=4 558 B7R0.1 CC/C=C\CCOC 34a_100016288707_200000210301 [2,0,0,0,0,0|0,0,2]=4 559 B7R0.1 CC/C=C\CCOC 34a_100138415774_100015370543 [2,0,0,0,0,0|0,0,2]=4 560 B7R0.1 CC/C=C\CCOC 7a_100016288707_200000210301 [2,0,0,0,0,0|0,0,2]=4 561 B7R0.1 CC/C=C\CCO[13CH3] 34a_100016288707_200025704644 [2,0,0,0,0,0|0,0,2]=4 562 B7R0.1 CC/C=C\CCO[13CH3] 7a_100016288707_200025704644 [2,0,0,0,0,0|0,0,2]=4 563 B7R0.1 CC/C=C\COCC 34a_100016268518_100000210202 [2,0,0,0,0,0|0,0,2]=4 564 B7R0.1 CC/C=C\COCC 34a_100121572206_100103147603 [2,0,0,0,0,0|0,0,2]=4 565 B7R0.1 CC=C=CCCOC 34a_100011020354_200000210301 [2,0,0,0,0,0|0,0,2]=4 566 B7R0.1 CC=C=CCCO[13CH3] 34a_100011020354_200025704644 [2,0,0,0,0,0|0,0,2]=4 567 B7R0.1 CC=CCCCOC 34a_100020645299_200000210301 [2,0,0,0,0,0|0,0,2]=4 568 B7R0.1 CC=CCCCO[13CH3] 34a_100020645299_200025704644 [2,0,0,0,0,0|0,0,2]=4 569 B7R0.1 CC=CCSCC=O 62a_100000070051_200015260668 [2,0,0,0,0,0|1,0,1]=4 570 B7R0.1 CC=CCSCC=O 62a_200015260668_100000070051 [2,0,0,0,0,0|1,0,1]=4 571 B7R0.1 CC=CCSCOC 62a_100000070051_100000766300 [2,0,0,0,0,0|1,0,1]=4 572 B7R0.1 CC=CCSCOC 62a_100000766300_100000070051 [2,0,0,0,0,0|1,0,1]=4 573 B7R0.1 CCC/C=C/COC 34a_100016278788_200000210301 [2,0,0,0,0,0|0,0,2]=4 574 B7R0.1 CCC/C=C/COC 7a_100016278788_200000210301 [2,0,0,0,0,0|0,0,2]=4 575 B7R0.1 CCC/C=C/CO[13CH3] 34a_100016278788_200025704644 [2,0,0,0,0,0|0,0,2]=4 576 B7R0.1 CCC/C=C/CO[13CH3] 7a_100016278788_200025704644 [2,0,0,0,0,0|0,0,2]=4 577 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [2,0,0,0,0,0|0,0,0]=2 578 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [2,0,0,0,0,0|0,0,0]=2 579 B7R0.4 C/C=C/COC(C)C 34a_100000212225_100102629194 [2,0,0,0,0,0|1,0,1]=4 580 B7R0.4 C/C=C/COC(C)C 34a_100016270725_100000210206 [2,0,0,0,0,0|1,0,1]=4 581 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [2,0,0,0,0,0|0,0,2]=4 582 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [2,0,0,0,0,0|0,0,2]=4 583 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [2,0,0,0,0,0|0,0,2]=4 584 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [2,0,0,0,0,0|1,0,1]=4 585 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [2,0,0,0,0,0|1,0,1]=4 586 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [2,0,0,0,0,0|1,0,1]=4 587 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [2,0,0,0,0,0|1,0,1]=4 588 B7R0.4 C=CCOCC(=O)C 34a_100000211253_100015514636 [2,0,0,0,0,0|1,0,1]=4 589 B7R0.4 C=CCSCC(=O)C 1458a_100000230395_200000210301 [2,0,0,0,0,0|1,0,1]=4 590 B7R0.4 C=CCSCC(=O)[13CH3] 1458a_100000230395_200025704644 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.4 C=COCCC(=O)C 1458a_100000070787_100000039644 [2,0,0,0,0,0|1,0,1]=4 592 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [2,0,0,0,0,0|1,0,1]=4 593 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [2,0,0,0,0,0|1,0,1]=4 594 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [2,0,0,0,0,0|0,0,1]=3 595 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [2,0,0,0,0,0|0,0,1]=3 596 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [2,0,0,0,0,0|0,0,1]=3 597 B7R0.4 CC=CCOC(C)C 34a_100000212225_100000070051 [2,0,0,0,0,0|1,0,1]=4 598 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [2,0,0,0,0,0|0,0,2]=4 599 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [2,0,0,0,0,0|0,0,2]=4 600 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [2,0,0,0,0,0|1,0,1]=4 601 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [2,0,0,0,0,0|1,0,1]=4 602 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [2,0,0,0,0,0|1,0,1]=4 603 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [2,0,0,0,0,0|1,0,1]=4 604 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [2,0,0,0,0,0|1,0,1]=4 605 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [2,0,0,0,0,0|1,0,1]=4 606 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [2,0,0,0,0,0|1,0,1]=4 607 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [2,0,0,0,0,0|1,0,1]=4 608 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [2,0,0,0,0,0|1,0,1]=4 609 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [2,0,0,0,0,0|1,0,1]=4 610 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [2,0,0,0,0,0|1,0,1]=4 611 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [2,0,0,0,0,0|1,0,1]=4 612 B9R0.5 C=COCCC(=O)C=CC 1458a_100000210699_100000039644 [1,1,0,0,0,0|0,0,2]=4 613 B9R0.5 CC=CC(=O)CCOCC 1458a_100000210699_100011215890 [1,1,0,0,0,0|0,0,2]=4 614 B9R0.18 C/C=C/CC(=O)C=CCC 1458a_100000212282_100102629194 [1,1,0,0,0,0|1,0,1]=4 615 B9R0.18 C/C=C/CC(=O)C=COC 1458a_100016268678_100102629194 [1,1,0,0,0,0|2,0,0]=4 616 B9R0.18 C/C=C/CC(=O)COCC 1458a_100000211967_100102629194 [1,1,0,0,0,0|0,0,2]=4 617 B9R0.18 C=CC=CC(=O)C/C=C/C 1458a_100016291481_100102629194 [1,1,0,0,0,0|1,0,1]=4 618 B9R0.18 C=CC=CC(=O)CC=CC 1458a_100016291481_100000070051 [1,1,0,0,0,0|1,0,1]=4 619 B9R0.18 CC=CCC(=O)C/C=C/C 1458a_100121576822_100102629194 [1,1,0,0,0,0|1,0,1]=4 620 B9R0.18 CC=CCC(=O)C=CCC 1458a_100000212282_100000070051 [1,1,0,0,0,0|1,0,1]=4 621 B9R0.18 CC=CCC(=O)C=COC 1458a_100016268678_100000070051 [1,1,0,0,0,0|2,0,0]=4 622 B9R0.18 CC=CCC(=O)CC=CC 1458a_100121576822_100000070051 [1,1,0,0,0,0|1,0,1]=4 623 B9R0.18 CC=CCC(=O)COCC 1458a_100000211967_100000070051 [1,1,0,0,0,0|0,0,2]=4 624 B9R0.45 C#CCOC/C=C/C=C/C 34a_100016283227_100000184674 [1,1,0,0,0,0|0,0,2]=4 625 B9R0.45 C/C=C/C=C/COCC=O 34a_100016283227_200009817547 [1,1,0,0,0,0|0,0,0]=2 626 B9R0.45 C/C=C/C=C/COCCC 34a_100016283227_100000210303 [1,1,0,0,0,0|0,0,1]=3 627 B9R0.45 C/C=C/C=C/COCCF 34a_100016283227_100011217306 [1,1,0,0,0,0|0,0,1]=3 628 B9R0.45 C/C=C/C=C/COCCO 34a_100016283227_100000211926 [1,1,0,0,0,0|0,0,1]=3 629 B9R0.45 C/C=C/C=C/COCSC 34a_100016283227_100011218213 [1,1,0,0,0,0|0,0,1]=3 630 B9R0.45 C=CCOC/C=C/C=C/C 34a_100016283227_100015514636 [1,1,0,0,0,0|0,0,1]=3 631 B9R0.45 CC/C=C\CCOCC=O 34a_100016288707_200009817547 [1,1,0,0,0,0|0,0,2]=4 632 B9R0.45 CC/C=C\CCOCC=O 7a_100016288707_200015260668 [1,1,0,0,0,0|0,0,2]=4 633 B9R0.45 CC=C=CCCOCC=O 34a_100011020354_200009817547 [1,1,0,0,0,0|0,0,2]=4 634 B9R0.45 CC=CCCCOCC=O 34a_100020645299_200009817547 [1,1,0,0,0,0|0,0,2]=4 635 B9R0.45 CCC/C=C/COCC=O 34a_100016278788_200009817547 [1,1,0,0,0,0|0,0,2]=4 636 B9R0.45 CCC/C=C/COCC=O 7a_100016278788_200015260668 [1,1,0,0,0,0|0,0,2]=4 637 B9R0.46 CCOC/C=C/C(=O)OC 34a_100121572206_100000742655 [1,1,0,0,0,0|1,0,1]=4 638 B9R0.1 C/C=C(\C)/C=NNC(=O)C 4a_100000189765_100020587592 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.1 C=CC(=O)CCCC(=O)C 1458a_100000185746_100011215641 [1,1,0,0,0,0|1,0,1]=4 640 B9R0.1 C=CC(=O)CCNC(=O)C 1458a_100000185746_100000189650 [1,1,0,0,0,0|1,0,1]=4 641 B9R0.1 C=CC(=O)CCOC(=O)C 1458a_100000185746_100009814007 [1,1,0,0,0,0|0,0,1]=3 642 B9R0.1 C=CC(=O)CCOC(=O)N 1458a_100000185746_200011214921 [1,1,0,0,0,0|1,0,1]=4 643 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000065099_200000210301 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.1 C=CC(=O)OCCC(=O)C 1458a_100000070787_100009813456 [1,1,0,0,0,0|2,0,0]=4 645 B9R0.1 C=CC(=O)OCCC(=O)[13CH3] 1458a_100000065099_200025704644 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.1 C=CC(C)OCOC(=O)C 34a_100000695699_100009813279 [1,1,0,0,0,0|1,0,1]=4 647 B9R0.1 C=CC(C)SCOC(=O)C 62a_100011215867_100000076356 [1,1,0,0,0,0|1,0,1]=4 648 B9R0.1 CCC(=O)CCOC(=O)C 1458a_100000210414_100009814007 [1,1,0,0,0,0|0,0,2]=4 649 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [1,1,0,0,0,0|1,0,1]=4 650 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [1,1,0,0,0,0|1,0,1]=4 651 B9R0.4 C=C(C)CC(=O)C=COC 1458a_100016268678_100000748629 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [1,1,0,0,0,0|1,0,1]=4 653 B9R0.4 C=CC=CC(=O)CC(=C)C 1458a_100016291481_100000748629 [1,1,0,0,0,0|1,0,1]=4 654 B9R0.4 C=CC=CC(=O)CC(=O)N 1458a_100016291481_100000187820 [1,1,0,0,0,0|1,0,1]=4 655 B9R0.4 C=CC=CC(=O)CC(=O)[O-] 1458a_100016291481_100020667443 [1,1,0,0,0,0|1,0,1]=4 656 B9R0.4 C=CCSC(C)OC(=O)C 62a_100000210623_100009818208 [1,1,0,0,0,0|1,0,1]=4 657 B9R0.4 C=CCSC(C)OC(=O)C 62a_100009818208_100000210623 [1,1,0,0,0,0|1,0,1]=4 658 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [1,1,0,0,0,0|1,0,1]=4 659 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [1,1,0,0,0,0|1,0,1]=4 660 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [1,1,0,0,0,0|1,0,1]=4 661 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [1,1,0,0,0,0|1,0,1]=4 662 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [1,1,0,0,0,0|1,0,1]=4 663 B9R0.4 COC=CC(=O)CC(=O)N 1458a_100016268678_100000187820 [1,1,0,0,0,0|2,0,0]=4 664 B9R0.4 COC=CC(=O)CC(=O)[O-] 1458a_100016268678_100020667443 [1,1,0,0,0,0|2,0,0]=4 665 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,1,0,0,0,0|1,0,1]=4 666 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,1,0,0,0,0|1,0,1]=4 667 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,1,0,0,0,0|1,0,1]=4 668 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,1,0,0,0,0|1,0,1]=4 669 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,1,0,0,0,0|1,0,1]=4 670 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,1,0,0,0,0|1,0,1]=4 671 B9R0.48 C=C(C)CCC(=O)C=CC 1458a_100000210699_100000730704 [1,1,0,0,0,0|1,0,1]=4 672 B9R0.48 C=C(C)CNC(=O)C=CC 11a_100000765925_100000210699 [1,1,0,0,0,0|2,0,0]=4 673 B9R0.48 C=C(C)CNC(=O)C=CC 1626a_100000765925_100000210699 [1,1,0,0,0,0|2,0,0]=4 674 B9R0.48 C=C(C)CNC(=O)C=CC 240690a_100000765925_100000210699 [1,1,0,0,0,0|2,0,0]=4 675 B9R0.48 C=CCC(=O)CNC(=O)C 1458a_100000194580_100000210623 [1,1,0,0,0,0|1,0,1]=4 676 B9R0.48 C=CCC(=O)COC(=O)C 1458a_100000183556_100000210623 [1,1,0,0,0,0|0,0,1]=3 677 B9R0.48 C=CCC(=O)CSC(=O)C 1458a_100000049016_100000210623 [1,1,0,0,0,0|0,1,1]=4 678 B9R0.48 C=CCN(C)COC(=O)C 269982a_100000225617_100000076356 [1,1,0,0,0,0|1,0,1]=4 679 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_100000036994_200025704644 [1,1,0,0,0,0|1,0,1]=4 680 B9R0.48 CC(=O)OCC(=O)CS[13CH3] 62a_200025704644_100000036994 [1,1,0,0,0,0|1,0,1]=4 681 B9R0.48 CC=CC(=NNC(=O)C)C 4a_100000189765_100011218416 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.48 CC=CC(=O)CC=C(C)C 1458a_100000210699_100000761012 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.48 CC=CC(=O)NCC(=O)N 11a_100000711301_100000210699 [1,1,0,0,0,0|2,0,0]=4 684 B9R0.48 CC=CC(=O)NCC(=O)N 240690a_100000711301_100000210699 [1,1,0,0,0,0|2,0,0]=4 685 B9R0.48 CC=CC(=O)NNC(=O)C 22a_100000189765_100000210699 [1,1,0,0,0,0|2,0,0]=4 686 B9R0.48 CCCC(=O)COC(=O)C 1458a_100000183556_100000210303 [1,1,0,0,0,0|0,0,2]=4 687 B9R0.48 CCNC(=O)COC(=O)C 240690a_100015525214_100000183556 [1,1,0,0,0,0|1,0,1]=4 688 B9R0.48 CCNC(=O)COC(=O)C 527a_100015525214_100000183556 [1,1,0,0,0,0|1,0,1]=4 689 B9R0.48 CNCC(=O)COC(=O)C 34a_100102657272_100000036994 [1,1,0,0,0,0|1,0,1]=4 690 B9R0.48 CNNC(=O)COC(=O)C 22a_100016993582_100000183556 [1,1,0,0,0,0|2,0,0]=4 691 B9R0.48 COCC(=O)COC(=O)C 34a_100138415774_100000036994 [1,1,0,0,0,0|1,0,1]=4 692 B9R0.48 CSCC(=O)COC(=O)C 62a_100000036994_200000210301 [1,1,0,0,0,0|1,0,1]=4 693 B9R0.48 CSCC(=O)COC(=O)C 62a_200000210301_100000036994 [1,1,0,0,0,0|1,0,1]=4 694 B9R0.55 C=C(C)COCOC(=O)C 34a_100000210245_100009813279 [1,1,0,0,0,0|1,0,1]=4 695 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000076356_100000211660 [1,1,0,0,0,0|1,0,1]=4 696 B9R0.55 C=C(C)CSCOC(=O)C 62a_100000748629_100000076356 [1,1,0,0,0,0|1,0,1]=4 697 B9R0.55 C=C(F)COCOC(=O)C 34a_200010262243_100009813279 [1,1,0,0,0,0|1,0,1]=4 698 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000042424_100000076356 [1,1,0,0,0,0|1,0,1]=4 699 B9R0.55 C=C(F)CSCOC(=O)C 62a_100000076356_100000042424 [1,1,0,0,0,0|1,0,1]=4 700 B9R0.55 CC(=O)CCCOC(=O)C 1458a_100000070787_100000042594 [1,1,0,0,0,0|0,0,2]=4 701 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,1,0,0,0,0|1,0,1]=4 702 B9R0.55 CC(=O)COCOC(=O)C 34a_100000211253_100009813279 [1,1,0,0,0,0|1,0,1]=4 703 B9R0.55 CC(=O)NCCOC(=O)C 11a_100000724843_100015343762 [1,1,0,0,0,0|1,0,1]=4 704 B9R0.55 CC(=O)NCCOC(=O)C 240690a_100000724843_100015343762 [1,1,0,0,0,0|1,0,1]=4 705 B9R0.55 CC(=O)NCCOC(=O)C 527a_100000724843_100103153847 [1,1,0,0,0,0|1,0,1]=4 706 B9R0.55 CC(=O)NN=CC=C(C)C 4a_100000189765_100011215525 [1,1,0,0,0,0|2,0,0]=4 707 B11R0.6 CC(=CC(=O)CCOC(=O)N)C 1458a_100000211388_200011214921 [0,2,0,0,0,0|1,0,1]=4 708 B11R0.6 CC(=CC(=O)CCOC(=O)N)Cl 1458a_200042562850_200011214921 [0,2,0,0,0,0|1,0,1]=4 709 B11R0.6 CC(=CC(=O)CCOC(=O)N)I 1458a_100025716642_200011214921 [0,2,0,0,0,0|1,0,1]=4 710 B11R0.6 CC(=O)CCCC(=O)C=C(C)C 1458a_100000211388_100011215641 [0,2,0,0,0,0|1,0,1]=4 711 B11R0.6 CC(=O)CCCC(=O)C=C(C)Cl 1458a_200042562850_100011215641 [0,2,0,0,0,0|1,0,1]=4 712 B11R0.6 CC(=O)CCCC(=O)C=C(C)I 1458a_100025716642_100011215641 [0,2,0,0,0,0|1,0,1]=4 713 B11R0.6 CC(=O)NCCC(=O)C=C(C)C 1458a_100000211388_100000189650 [0,2,0,0,0,0|1,0,1]=4 714 B11R0.6 CC(=O)NCCC(=O)C=C(C)Cl 1458a_200042562850_100000189650 [0,2,0,0,0,0|1,0,1]=4 715 B11R0.6 CC(=O)NCCC(=O)C=C(C)I 1458a_100025716642_100000189650 [0,2,0,0,0,0|1,0,1]=4 716 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,2,0,0,0,0|1,0,1]=4 717 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,2,0,0,0,0|1,0,1]=4 718 B11R0.6 CC(=O)OCCC(=O)C=C(C)C 1458a_100000211388_100009814007 [0,2,0,0,0,0|0,0,1]=3 719 B11R0.6 CC(=O)OCCC(=O)C=C(C)Cl 1458a_200042562850_100009814007 [0,2,0,0,0,0|0,0,1]=3 720 B11R0.6 CC(=O)OCCC(=O)C=C(C)I 1458a_100025716642_100009814007 [0,2,0,0,0,0|0,0,1]=3 721 B11R0.6 CC(=O)OCCC(=O)C=C(Cl)Cl 1458a_100000137448_100009814007 [0,2,0,0,0,0|1,0,1]=4 722 B11R0.6 CC(=O)OCOC(C)C=C(C)C 34a_100000717055_100009813279 [0,2,0,0,0,0|1,0,1]=4 723 B11R0.145 C/C=C(\C)/C(=O)CCCC(=O)C 1458a_100020587367_100011215641 [0,2,0,0,0,0|1,0,1]=4 724 B11R0.145 C/C=C(\C)/C(=O)CCNC(=O)C 1458a_100020587367_100000189650 [0,2,0,0,0,0|1,0,1]=4 725 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)C 1458a_100020587367_100009814007 [0,2,0,0,0,0|0,0,1]=3 726 B11R0.145 C/C=C(\C)/C(=O)CCOC(=O)N 1458a_100020587367_200011214921 [0,2,0,0,0,0|1,0,1]=4 727 B11R0.145 CNC(=O)C(=O)CCOC(=O)C 1458a_100011218921_100009814007 [0,2,0,0,0,0|1,0,1]=4 728 B11R0.147 C/C=C/CC(=O)CCNC(=O)C 1458a_100000183196_100102629194 [0,2,0,0,0,0|1,0,1]=4 729 B11R0.147 C/C=C/CC(=O)CCSC(=O)C 1458a_100000048949_100102629194 [0,2,0,0,0,0|0,1,1]=4 730 B11R0.147 C/C=C/CC(=O)COCC(=O)N 1458a_100011219004_100102629194 [0,2,0,0,0,0|1,0,1]=4 731 B11R0.147 C=CC=CC(=O)CCCC(=O)C 1458a_100016291481_100011215641 [0,2,0,0,0,0|1,0,1]=4 732 B11R0.147 C=CC=CC(=O)CCNC(=O)C 1458a_100016291481_100000189650 [0,2,0,0,0,0|1,0,1]=4 733 B11R0.147 C=CC=CC(=O)CCOC(=O)C 1458a_100016291481_100009814007 [0,2,0,0,0,0|0,0,1]=3 734 B11R0.147 C=CC=CC(=O)CCOC(=O)N 1458a_100016291481_200011214921 [0,2,0,0,0,0|1,0,1]=4 735 B11R0.147 CC=CCC(=O)CCCC(=O)C 1458a_100121576822_100011215641 [0,2,0,0,0,0|1,0,1]=4 736 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100000183196_100000070051 [0,2,0,0,0,0|1,0,1]=4 737 B11R0.147 CC=CCC(=O)CCNC(=O)C 1458a_100121576822_100000189650 [0,2,0,0,0,0|1,0,1]=4 738 B11R0.147 CC=CCC(=O)CCOC(=O)C 1458a_100121576822_100009814007 [0,2,0,0,0,0|0,0,1]=3 739 B11R0.147 CC=CCC(=O)CCOC(=O)N 1458a_100121576822_200011214921 [0,2,0,0,0,0|1,0,1]=4 740 B11R0.147 CC=CCC(=O)CCSC(=O)C 1458a_100000048949_100000070051 [0,2,0,0,0,0|0,1,1]=4 741 B11R0.147 CC=CCC(=O)COCC(=O)N 1458a_100011219004_100000070051 [0,2,0,0,0,0|1,0,1]=4 742 B11R0.147 CCC=CC(=O)CCCC(=O)C 1458a_100000212282_100011215641 [0,2,0,0,0,0|1,0,1]=4 743 B11R0.147 CCC=CC(=O)CCNC(=O)C 1458a_100000212282_100000189650 [0,2,0,0,0,0|1,0,1]=4 744 B11R0.147 CCC=CC(=O)CCOC(=O)C 1458a_100000212282_100009814007 [0,2,0,0,0,0|0,0,1]=3 745 B11R0.147 CCC=CC(=O)CCOC(=O)N 1458a_100000212282_200011214921 [0,2,0,0,0,0|1,0,1]=4 746 B11R0.147 COC=CC(=O)CCCC(=O)C 1458a_100016268678_100011215641 [0,2,0,0,0,0|1,0,1]=4 747 B11R0.147 COC=CC(=O)CCNC(=O)C 1458a_100016268678_100000189650 [0,2,0,0,0,0|1,0,1]=4 748 B11R0.147 COC=CC(=O)CCOC(=O)C 1458a_100016268678_100009814007 [0,2,0,0,0,0|0,0,1]=3 749 B11R0.147 COC=CC(=O)CCOC(=O)N 1458a_100016268678_200011214921 [0,2,0,0,0,0|1,0,1]=4 750 B11R0.174 C=CC(=O)OCCC(=O)C=CC 1458a_100000210699_100009813456 [0,2,0,0,0,0|0,0,2]=4 751 B11R0.174 CC=CC(=O)CCCC(=O)NC 1458a_100000210699_100000741757 [0,2,0,0,0,0|1,0,1]=4 752 B11R0.174 CC=CC(=O)CCCC(=O)OC 1458a_100000210699_100011218270 [0,2,0,0,0,0|1,0,1]=4 753 B11R0.174 CC=CC(=O)CCOC(=O)NC 1458a_100000210699_200011997002 [0,2,0,0,0,0|0,0,1]=3 754 B11R0.174 CC=CC(=O)NCCC(=O)NC 11a_100000738227_100000210699 [0,2,0,0,0,0|2,0,0]=4 755 B11R0.174 CC=CC(=O)NCCC(=O)NC 240690a_100000738227_100000210699 [0,2,0,0,0,0|2,0,0]=4 756 B11R0.174 CC=CC(=O)NCCC(=O)OC 188690a_100000683876_100000210699 [0,2,0,0,0,0|2,0,0]=4 757 B11R0.174 CNC(=O)OCCC(=O)C=CBr 1458a_100016273825_200011997002 [0,2,0,0,0,0|1,0,1]=4 758 B11R0.174 CNC(=O)OCCC(=O)C=CCl 1458a_200016279998_200011997002 [0,2,0,0,0,0|1,0,1]=4 759 B11R0.174 CNC(=O)OCCC(=O)C=CI 1458a_100016256311_200011997002 [0,2,0,0,0,0|1,0,1]=4 760 B11R0.180 CC=CC(=O)CCOS(=O)(=O)C 1458a_100000210699_200000036756 [0,2,0,0,0,0|1,0,1]=4 761 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100009818208_100103147603 [0,2,0,0,0,0|0,0,2]=4 762 B11R0.2 CC/C=C\CSC(C)OC(=O)C 62a_100103147603_100009818208 [0,2,0,0,0,0|0,0,2]=4 763 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [0,2,0,0,0,0|0,0,2]=4 764 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [0,2,0,0,0,0|0,0,2]=4 765 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [0,2,0,0,0,0|0,0,2]=4 766 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [0,2,0,0,0,0|0,0,2]=4 767 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [0,2,0,0,0,0|0,0,2]=4 768 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [0,2,0,0,0,0|0,0,2]=4 769 B11R0.40 C/C=C/C=C/COCC(=O)NC 34a_100016283227_100000183359 [0,2,0,0,0,0|0,0,0]=2 770 B11R0.40 C/C=C/C=C/COCC(=O)OC 34a_100016283227_100000747449 [0,2,0,0,0,0|0,0,0]=2 771 B11R0.40 C/C=C/C=C/COCC(C)CC 34a_100016283227_100000748023 [0,2,0,0,0,0|1,0,1]=4 772 B11R0.40 C/C=C/C=C/COCC(O)CC 34a_100016283227_100011218378 [0,2,0,0,0,0|0,0,2]=4 773 B11R0.40 C/C=C/C=C/COCC(O)CO 34a_100016283227_100011219619 [0,2,0,0,0,0|0,0,2]=4 774 B11R0.40 C/C=C/C=C/COC[C@@H](C)CC 34a_100016283227_100009816398 [0,2,0,0,0,0|1,0,1]=4 775 B11R0.40 C/C=C/C=C/COC[C@@H](C)CO 34a_100016283227_100000059175 [0,2,0,0,0,0|0,0,2]=4 776 B11R0.40 C/C=C/C=C/COC[C@@H](O)CF 34a_100016283227_100015614560 [0,2,0,0,0,0|0,0,2]=4 777 B11R0.40 C/C=C/C=C/COC[C@@H](O)CO 34a_100016283227_100009815848 [0,2,0,0,0,0|0,0,2]=4 778 B11R0.40 C/C=C/COCCOC(=O)CC 7a_200000031056_100102629194 [0,2,0,0,0,0|0,0,2]=4 779 B11R0.40 C/C=C/COCCOC(=O)NC 34a_100016270725_200011997002 [0,2,0,0,0,0|0,0,2]=4 780 B11R0.40 C/C=C/COCCOC(=O)OC 34a_100010262106_100102629194 [0,2,0,0,0,0|0,0,2]=4 781 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_100102629194_200011997002 [0,2,0,0,0,0|0,0,2]=4 782 B11R0.40 C/C=C/CSCCOC(=O)NC 62a_200011997002_100102629194 [0,2,0,0,0,0|0,0,2]=4 783 B11R0.40 C=C(C#N)COC/C=C/C=C/C 34a_100016283227_100000694840 [0,2,0,0,0,0|1,0,1]=4 784 B11R0.40 CC/C=C\CCOCC(=O)CC 34a_100000725409_100015370543 [0,2,0,0,0,0|0,0,2]=4 785 B11R0.40 CC/C=C\CCOCC(=O)CC 7a_100016288707_100000747405 [0,2,0,0,0,0|0,0,2]=4 786 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100000750040_100015370543 [0,2,0,0,0,0|0,0,2]=4 787 B11R0.40 CC/C=C\CCOCC(=O)NC 34a_100016288707_100000183359 [0,2,0,0,0,0|0,0,2]=4 788 B11R0.40 CC/C=C\CCOCC(=O)NC 7a_100016288707_100000183359 [0,2,0,0,0,0|0,0,2]=4 789 B11R0.40 CC/C=C\CCOCC(=O)OC 34a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 790 B11R0.40 CC/C=C\CCOCC(=O)OC 7a_100016288707_100000747449 [0,2,0,0,0,0|0,0,2]=4 791 B11R0.40 CC/C=C\CSCOC(=O)OC 62a_100103147603_100000139417 [0,2,0,0,0,0|0,0,2]=4 792 B11R0.40 CC=C=CCCOCC(=O)NC 34a_100011020354_100000183359 [0,2,0,0,0,0|0,0,2]=4 793 B11R0.40 CC=C=CCCOCC(=O)OC 34a_100011020354_100000747449 [0,2,0,0,0,0|0,0,2]=4 794 B11R0.40 CC=CC=CC=NNC(=O)CC 4a_100000183195_100000691131 [0,2,0,0,0,0|1,0,1]=4 795 B11R0.40 CC=CCCCOCC(=O)NC 34a_100020645299_100000183359 [0,2,0,0,0,0|0,0,2]=4 796 B11R0.40 CC=CCCCOCC(=O)OC 34a_100020645299_100000747449 [0,2,0,0,0,0|0,0,2]=4 797 B11R0.40 CC=CCOCCOC(=O)CC 7a_200000031056_100000070051 [0,2,0,0,0,0|0,0,2]=4 798 B11R0.40 CC=CCOCCOC(=O)OC 34a_100010262106_100000070051 [0,2,0,0,0,0|0,0,2]=4 799 B11R0.40 CC=CCSCCOC(=O)NC 62a_100000070051_200011997002 [0,2,0,0,0,0|0,0,2]=4 800 B11R0.40 CC=CCSCCOC(=O)NC 62a_200011997002_100000070051 [0,2,0,0,0,0|0,0,2]=4 801 B11R0.40 CCC/C=C/COCC(=O)CC 7a_100016278788_100000747405 [0,2,0,0,0,0|0,0,2]=4 802 B11R0.40 CCC/C=C/COCC(=O)NC 34a_100016278788_100000183359 [0,2,0,0,0,0|0,0,2]=4 803 B11R0.40 CCC/C=C/COCC(=O)NC 7a_100016278788_100000183359 [0,2,0,0,0,0|0,0,2]=4 804 B11R0.40 CCC/C=C/COCC(=O)OC 34a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 805 B11R0.40 CCC/C=C/COCC(=O)OC 7a_100016278788_100000747449 [0,2,0,0,0,0|0,0,2]=4 806 B11R0.42 C/C=C/C=C/COC(C)C(=O)N 34a_100016283227_100000702099 [0,2,0,0,0,0|0,0,1]=3 807 B11R0.42 C/C=C/C=C/COC(F)C(=O)N 34a_100016283227_100009813875 [0,2,0,0,0,0|1,0,0]=3 808 B11R0.42 C/C=C/C=C/COC(F)C(=O)[O-] 34a_100016283227_100020610796 [0,2,0,0,0,0|1,0,0]=3 809 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100000139345_100102629194 [0,2,0,0,0,0|1,0,1]=4 810 B11R0.42 C/C=C/CSCOC(=O)C(C)C 62a_100102629194_100000139345 [0,2,0,0,0,0|1,0,1]=4 811 B11R0.42 CC/C=C\CCOC(C)C(=O)C 34a_100000212229_100015370543 [0,2,0,0,0,0|0,0,2]=4 812 B11R0.42 CC/C=C\CCOC(C)C(=O)C 7a_100016288707_100000179758 [0,2,0,0,0,0|0,0,2]=4 813 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000070051_100000139345 [0,2,0,0,0,0|1,0,1]=4 814 B11R0.42 CC=CCSCOC(=O)C(C)C 62a_100000139345_100000070051 [0,2,0,0,0,0|1,0,1]=4 815 B11R0.42 CCC/C=C/COC(C)C(=O)C 7a_100016278788_100000179758 [0,2,0,0,0,0|0,0,2]=4 816 B11R0.46 C/C=C/C=CC(=NNC(=O)C)C 4a_100000189765_100016268696 [0,2,0,0,0,0|1,0,1]=4 817 B11R0.46 C/C=C/C=CC(=O)CC=C(C)C 1458a_100000185730_100000761012 [0,2,0,0,0,0|2,0,0]=4 818 B11R0.46 C/C=C/C=CC(=O)NNC(=O)C 22a_100000189765_100000185730 [0,2,0,0,0,0|1,0,1]=4 819 B11R0.46 C=C(C)CCC(=O)C=C/C=C/C 1458a_100000185730_100000730704 [0,2,0,0,0,0|2,0,0]=4 820 B11R0.46 CC/C=C\CC(=O)CNC(=O)C 1458a_100000194580_100103147603 [0,2,0,0,0,0|1,0,1]=4 821 B11R0.46 CC/C=C\CC(=O)COC(=O)C 1458a_100000183556_100103147603 [0,2,0,0,0,0|0,0,1]=3 822 B11R0.46 CC/C=C\CC(=O)CSC(=O)C 1458a_100000049016_100103147603 [0,2,0,0,0,0|0,1,1]=4 823 B11R0.111 C#C/C(=C\COCOC(=O)C)/C 34a_100016990848_100009813279 [0,2,0,0,0,0|1,0,1]=4 824 B11R0.111 C=C(C)COC/C=C/C(=O)OC 34a_100000210245_100000742655 [0,2,0,0,0,0|2,0,0]=4 825 B11R0.111 COC(=O)/C=C/COCC(=O)C 34a_100000211253_100000742655 [0,2,0,0,0,0|1,0,0]=3 826 B11R0.111 COC(=O)C=CC=NNC(=O)C 4a_100000189765_100016254430 [0,2,0,0,0,0|2,0,0]=4 827 B11R0.111 COC(=O)OCSCC=C(C)C 62a_100000761012_100000139417 [0,2,0,0,0,0|1,0,1]=4 828 B11R0.148 C/C=C/C=C/COCC=C(C)C 34a_100016283227_100000761012 [0,2,0,0,0,0|1,0,0]=3 829 B11R0.148 C/C=C/C=C/COCCC(=O)N 34a_100016283227_100000731001 [0,2,0,0,0,0|1,0,0]=3 830 B11R0.148 C/C=C/C=C/COCCC(C)C 34a_100016283227_100000210312 [0,2,0,0,0,0|1,0,1]=4 831 B11R0.148 C/C=C/C=C/COCCC(C)O 34a_100016283227_100012276601 [0,2,0,0,0,0|0,0,2]=4 832 B11R0.148 C/C=C/C=C/COCOC(=O)C 34a_100016283227_100009813279 [0,2,0,0,0,0|0,0,0]=2 833 B11R0.148 C/C=C/C=C/COCOC(C)C 34a_100016283227_100000709892 [0,2,0,0,0,0|1,0,1]=4 834 B11R0.148 C/C=C/CCOCCOC(=O)C 34a_100016278192_100009814007 [0,2,0,0,0,0|0,0,2]=4 835 B11R0.148 C/C=C/COCCCOC(=O)C 34a_100016270725_100000042594 [0,2,0,0,0,0|0,0,2]=4 836 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100000042594_100102629194 [0,2,0,0,0,0|0,0,2]=4 837 B11R0.148 C/C=C/CSCCCOC(=O)C 62a_100102629194_100000042594 [0,2,0,0,0,0|0,0,2]=4 838 B11R0.148 C=C(C)CCOC/C=C/C=C/C 34a_100016283227_100000730704 [0,2,0,0,0,0|1,0,0]=3 839 B11R0.148 CC/C=C\CCOCCC(=O)C 34a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 840 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100000759926_100015370543 [0,2,0,0,0,0|0,0,2]=4 841 B11R0.148 CC/C=C\CCOCCC(=O)C 7a_100016288707_100000053229 [0,2,0,0,0,0|0,0,2]=4 842 B11R0.148 CC/C=C\CCOCOC(=O)C 34a_100016288707_100009813279 [0,2,0,0,0,0|0,0,2]=4 843 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100000076356_100015370543 [0,2,0,0,0,0|0,0,2]=4 844 B11R0.148 CC/C=C\CCSCOC(=O)C 62a_100015370543_100000076356 [0,2,0,0,0,0|0,0,2]=4 845 B11R0.148 CC/C=C\COCCOC(=O)C 34a_100016268518_100009814007 [0,2,0,0,0,0|0,0,2]=4 846 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100009814007_100103147603 [0,2,0,0,0,0|0,0,2]=4 847 B11R0.148 CC/C=C\CSCCOC(=O)C 62a_100103147603_100009814007 [0,2,0,0,0,0|0,0,2]=4 848 B11R0.148 CC=C=CCCOCOC(=O)C 34a_100011020354_100009813279 [0,2,0,0,0,0|0,0,2]=4 849 B11R0.148 CC=CCCCOCOC(=O)C 34a_100020645299_100009813279 [0,2,0,0,0,0|0,0,2]=4 850 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000042594_100000070051 [0,2,0,0,0,0|0,0,2]=4 851 B11R0.148 CC=CCSCCCOC(=O)C 62a_100000070051_100000042594 [0,2,0,0,0,0|0,0,2]=4 852 B11R0.148 CCC/C=C/C=C/COC(C)C 34a_100016294078_100000210206 [0,2,0,0,0,0|1,0,1]=4 853 B11R0.148 CCC/C=C/COCCC(=O)C 7a_100016278788_100000053229 [0,2,0,0,0,0|0,0,2]=4 854 B11R0.148 CCC/C=C/COCOC(=O)C 34a_100016278788_100009813279 [0,2,0,0,0,0|0,0,2]=4 855 B11R0.148 CCC=CC=CC=NNC(=O)C 4a_100000189765_100103038579 [0,2,0,0,0,0|1,0,1]=4 856 B11R0.159 C/C=C/C=C/COCC(C)(C)C 34a_100016283227_100011219605 [0,2,0,0,0,0|1,0,1]=4 857 B11R0.159 C/C=C/C=C/COCC(C)(C)F 34a_100016283227_100011997219 [0,2,0,0,0,0|1,0,1]=4 858 B11R0.159 C/C=C/C=C/COCC(C)(C)O 34a_100016283227_100000764493 [0,2,0,0,0,0|0,0,2]=4 859 B11R0.159 C/C=C/C=C/COCS(=O)(=O)[O-] 34a_100016283227_100009817235 [0,2,0,0,0,0|2,0,0]=4 860 B11R0.176 C/C=C/C(C)OCCOC(=O)C 34a_200102604097_100009814007 [0,2,0,0,0,0|0,0,2]=4 861 B11R0.176 CC(=O)OCCCC(=O)C=CBr 1458a_100016273825_100000042594 [0,2,0,0,0,0|1,0,1]=4 862 B11R0.176 CC(=O)OCCCC(=O)C=CCl 1458a_200016279998_100000042594 [0,2,0,0,0,0|1,0,1]=4 863 B11R0.176 CC(=O)OCCCC(=O)C=CI 1458a_100016256311_100000042594 [0,2,0,0,0,0|1,0,1]=4 864 B11R0.176 CC(=O)OCCNC(=O)C=CBr 240690a_100000724843_100016273825 [0,2,0,0,0,0|1,0,1]=4 865 B11R0.176 CC(=O)OCCNC(=O)C=CCl 11a_100000724843_200016279998 [0,2,0,0,0,0|1,0,1]=4 866 B11R0.176 CC(=O)OCCNC(=O)C=CCl 240690a_100000724843_200016279998 [0,2,0,0,0,0|1,0,1]=4 867 B11R0.176 CC=CC(=O)CCCCC(=O)C 1458a_100000210699_100000735457 [0,2,0,0,0,0|1,0,1]=4 868 B11R0.176 CC=CC(=O)CCCOC(=O)C 1458a_100000210699_100000042594 [0,2,0,0,0,0|0,0,1]=3 869 B11R0.176 CC=CC(=O)CCCOC(=S)C 1458a_100000210699_200135323944 [0,2,0,0,0,0|0,1,1]=4 870 B11R0.176 CC=CC(=O)CCCSC(=O)C 1458a_100000210699_100000038929 [0,2,0,0,0,0|0,1,1]=4 871 B11R0.176 CC=CC(=O)CCOCC(=O)N 1458a_100000210699_100000076697 [0,2,0,0,0,0|1,0,1]=4 872 B11R0.176 CC=CC(=O)NCCNC(=O)C 240690a_100000209853_100000210699 [0,2,0,0,0,0|1,0,1]=4 873 B11R0.176 CC=CC(=O)NCCOC(=O)C 11a_100000724843_100000210699 [0,2,0,0,0,0|0,0,1]=3 874 B11R0.176 CC=CC(=O)NCCOC(=O)C 240690a_100000724843_100000210699 [0,2,0,0,0,0|0,0,1]=3 875 B11R0.176 CC=CC(=O)NCCSC(=O)C 11a_100020647217_100000210699 [0,2,0,0,0,0|0,1,1]=4 876 B11R0.176 CC=CC(=O)NCCSC(=O)C 240690a_100020647217_100000210699 [0,2,0,0,0,0|0,1,1]=4 877 B11R0.68 C/C=C/CC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100102629194 [0,2,0,0,0,0|1,0,1]=4 878 B11R0.68 C/C=C/CC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100102629194 [0,2,0,0,0,0|0,0,1]=3 879 B11R0.68 C=CC=CC(=O)C(C)OC(=O)C 1458a_100016291481_100009818208 [0,2,0,0,0,0|0,0,1]=3 880 B11R0.68 CC=CCC(=O)C(C)OC(=O)C 1458a_100121576822_100009818208 [0,2,0,0,0,0|0,0,1]=3 881 B11R0.68 CC=CCC(=O)[C@@H](C)NC(=O)C 1458a_100011504603_100000070051 [0,2,0,0,0,0|1,0,1]=4 882 B11R0.68 CC=CCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000070051 [0,2,0,0,0,0|0,0,1]=3 883 B11R0.68 CCC=CC(=O)C(C)OC(=O)C 1458a_100000212282_100009818208 [0,2,0,0,0,0|0,0,1]=3 884 B11R0.68 COC=CC(=O)C(C)OC(=O)C 1458a_100016268678_100009818208 [0,2,0,0,0,0|1,0,0]=3 885 B11R0.139 C/C=C/C=CC(=O)C(C)C(=O)C 1458a_100000185730_100000179758 [0,2,0,0,0,0|1,0,1]=4 886 B11R0.154 C/C=C/C=CC(=O)CC(=O)CC 1458a_100000185730_100000747405 [0,2,0,0,0,0|1,0,1]=4 887 B11R0.154 C/C=C/C=CC(=O)CC(=O)NC 1458a_100000185730_100000183359 [0,2,0,0,0,0|1,0,1]=4 888 B11R0.154 C/C=C/C=CC(=O)CC(=O)OC 1458a_100000185730_100000747449 [0,2,0,0,0,0|1,0,1]=4 889 B11R0.49 C#CC(C)(C)OC/C=C/C=C/C 34a_100016283227_100000038118 [0,2,0,0,0,0|1,0,1]=4 890 B11R0.49 C/C=C/C=C/COC(C)(C)C#N 34a_100016283227_100011162410 [0,2,0,0,0,0|1,0,1]=4 891 B11R0.29 C=C(C)C(=O)CCCOC(=O)C 1458a_100000185857_100000042594 [0,2,0,0,0,0|0,0,2]=4 892 B11R0.29 C=C(C)C(=O)NCCOC(=O)C 11a_100000724843_100000185857 [0,2,0,0,0,0|1,0,1]=4 893 B11R0.29 CC(=O)OCSCC(=O)C(=O)C 62a_100000076356_100011261029 [0,2,0,0,0,0|1,0,1]=4 894 B11R0.29 CC(=O)OCSCC(=O)C(=O)C 62a_100011261029_100000076356 [0,2,0,0,0,0|1,0,1]=4 895 B11R0.93 CCC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747405 [0,2,0,0,0,0|0,0,2]=4 896 B11R0.93 CNC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000183359 [0,2,0,0,0,0|1,0,1]=4 897 B11R0.93 COC(=O)CC(=O)COC(=O)C 1458a_100000183556_100000747449 [0,2,0,0,0,0|1,0,1]=4 898 B11R0.4 C/C=C/C=C/COC(C)CCC 34a_100016283227_100000766640 [0,2,0,0,0,0|1,0,1]=4 899 B11R0.4 C/C=C/C=C/COC(C)CCO 34a_100016283227_100009893172 [0,2,0,0,0,0|0,0,2]=4 900 B11R0.4 C/C=C/C=C/COC(C)COC 34a_100016283227_100000765312 [0,2,0,0,0,0|0,0,2]=4 901 B11R0.4 C/C=C/COCOC(=O)CCC 34a_100016270725_100000034017 [0,2,0,0,0,0|1,0,1]=4 902 B11R0.4 C/C=C/CSCOC(=O)CCC 62a_100102629194_100000034017 [0,2,0,0,0,0|1,0,1]=4 903 B11R0.4 C/C=C/CSCOC(=O)OCC 62a_100102629194_100000075025 [0,2,0,0,0,0|1,0,1]=4 904 B11R0.4 CC=CCSCOC(=O)CCC 62a_100000070051_100000034017 [0,2,0,0,0,0|1,0,1]=4 905 B11R0.4 CC=CCSCOC(=O)OCC 62a_100000070051_100000075025 [0,2,0,0,0,0|1,0,1]=4 906 B11R0.70 C/C=C/CC(=O)CCC(=O)NC 1458a_100011309844_100102629194 [0,2,0,0,0,0|1,0,1]=4 907 B11R0.70 C/C=C/CC(=O)CCC(=O)OC 1458a_100000187943_100102629194 [0,2,0,0,0,0|1,0,1]=4 908 B11R0.70 C/C=C/CC(=O)CNC(=O)CC 1458a_100000194589_100102629194 [0,2,0,0,0,0|1,0,1]=4 909 B11R0.70 C/C=C/CC(=O)CNC(=O)OC 1458a_100000215747_100102629194 [0,2,0,0,0,0|1,0,1]=4 910 B11R0.70 CC=CCC(=O)CCC(=O)NC 1458a_100011309844_100000070051 [0,2,0,0,0,0|1,0,1]=4 911 B11R0.70 CC=CCC(=O)CCC(=O)OC 1458a_100000187943_100000070051 [0,2,0,0,0,0|1,0,1]=4 912 B11R0.70 CC=CCC(=O)CNC(=O)CC 1458a_100000194589_100000070051 [0,2,0,0,0,0|1,0,1]=4 913 B11R0.70 CC=CCC(=O)CNC(=O)OC 1458a_100000215747_100000070051 [0,2,0,0,0,0|1,0,1]=4 914 B11R0.124 C/C=C/C=C/COC(C=O)C=O 34a_100016283227_100000736813 [0,2,0,0,0,0|0,0,2]=4 915 B11R0.163 C/C=C/CC(=O)CN(C)C(=O)C 1458a_100000194957_100102629194 [0,2,0,0,0,0|1,0,1]=4 916 B11R0.163 C=CC=CC(=O)CC(=O)C(=O)C 1458a_100016291481_100011261029 [0,2,0,0,0,0|1,0,1]=4 917 B11R0.163 CC=CCC(=O)CC(=O)C(=O)C 1458a_100121576822_100011261029 [0,2,0,0,0,0|1,0,1]=4 918 B11R0.163 CC=CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000070051 [0,2,0,0,0,0|1,0,1]=4 919 B11R0.163 CCC=CC(=O)CC(=O)C(=O)C 1458a_100000212282_100011261029 [0,2,0,0,0,0|1,0,1]=4 920 B11R0.163 COC=CC(=O)CC(=O)C(=O)C 1458a_100016268678_100011261029 [0,2,0,0,0,0|2,0,0]=4 921 B11R0.85 C=C(C)CCC(=O)COC(=O)C 1458a_100000183556_100000730704 [0,2,0,0,0,0|0,0,2]=4 922 B11R0.85 C=C(C)CNC(=O)COC(=O)C 1626a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 923 B11R0.85 C=C(C)CNC(=O)COC(=O)C 240690a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 924 B11R0.85 C=C(C)CNC(=O)COC(=O)C 527a_100000765925_100000183556 [0,2,0,0,0,0|1,0,1]=4 925 B11R0.85 CC(=O)NCC(=O)CC=C(C)C 1458a_100000194580_100000761012 [0,2,0,0,0,0|1,0,1]=4 926 B11R0.85 CC(=O)NN=C(C)COC(=O)C 4a_100000189765_100000000629 [0,2,0,0,0,0|2,0,0]=4 927 B11R0.85 CC(=O)NNC(=O)COC(=O)C 22a_100000189765_100000183556 [0,2,0,0,0,0|2,0,0]=4 928 B11R0.85 CC(=O)OCC(=O)CC=C(C)C 1458a_100000183556_100000761012 [0,2,0,0,0,0|0,0,1]=3 929 B11R0.85 CC(=O)SCC(=O)CC=C(C)C 1458a_100000049016_100000761012 [0,2,0,0,0,0|0,1,1]=4 930 B9R1.12 CCOCc1ccco1 34a_100000210059_100000210202 [1,0,0,1,0,0|1,0,1]=4 931 B9R1.12 CCOCc1cccs1 34a_100000211240_100000210202 [1,0,0,1,0,0|1,0,1]=4 932 B9R1.15 COc1cccoc1=O 34a_100000077404_200000210301 [1,0,0,1,0,0|1,0,1]=4 933 B9R1.15 COc1cccoc1=O 7a_100000077404_200000210301 [1,0,0,1,0,0|1,0,1]=4 934 B9R1.15 [13CH3]Oc1cccoc1=O 34a_100000077404_200025704644 [1,0,0,1,0,0|1,0,1]=4 935 B9R1.15 [13CH3]Oc1cccoc1=O 7a_100000077404_200025704644 [1,0,0,1,0,0|1,0,1]=4 936 B9R1.33 CC=Cc1c[nH]nc1C 271570a_100016259895_100011912673 [1,0,0,1,0,0|2,0,0]=4 937 B9R1.33 CC=Cc1ccsc1C 271570a_100016259895_100000684487 [1,0,0,1,0,0|0,1,1]=4 938 B9R1.33 CC=Cc1cnoc1C 271570a_100016259895_100009872056 [1,0,0,1,0,0|1,0,0]=3 939 B9R1.33 CC=Cc1cscc1C 271570a_100016259895_100000759966 [1,0,0,1,0,0|2,0,0]=4 940 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [1,0,0,1,0,0|0,0,2]=4 941 B9R1.6 CC(=O)N1CC=CCC1 11a_100000698166_100015343762 [1,0,0,1,0,0|1,0,1]=4 942 B9R1.6 CC(=O)N1CC=CCC1 1626a_100000698166_100015343762 [1,0,0,1,0,0|1,0,1]=4 943 B9R1.6 CC(=O)N1CC=CCC1 240690a_100000698166_100015343762 [1,0,0,1,0,0|1,0,1]=4 944 B9R1.6 CC(=O)N1CC=CCC1 527a_100000698166_100103153847 [1,0,0,1,0,0|1,0,1]=4 945 B9R1.6 CC(=O)[C@H]1CC=CCC1 1458a_100009820709_200000210301 [1,0,0,1,0,0|0,0,2]=4 946 B9R1.6 CC(=O)c1ccccc1 1458a_100000185807_200000210301 [1,0,0,1,0,0|0,0,2]=4 947 B9R1.6 [13CH3]C(=O)[C@H]1CC=CCC1 1458a_100009820709_200025704644 [1,0,0,1,0,0|0,0,2]=4 948 B9R1.6 [13CH3]C(=O)c1ccccc1 1458a_100000185807_200025704644 [1,0,0,1,0,0|0,0,2]=4 949 B9R1.7 CC=Cc1c[nH]c(n1)C 271570a_100016259895_100009814057 [1,0,0,1,0,0|2,0,0]=4 950 B9R1.7 CC=Cc1ccc(s1)C 271570a_100016259895_100000761539 [1,0,0,1,0,0|0,1,1]=4 951 B9R1.7 CC=Cc1cnc(s1)C 271570a_100016259895_100000764884 [1,0,0,1,0,0|1,1,0]=4 952 B9R1.7 CC=Cc1csc(c1)C 271570a_100016259895_100000759034 [1,0,0,1,0,0|1,1,0]=4 953 B9R1.7 CC=Cc1csc(n1)C 271570a_100016259895_100011934587 [1,0,0,1,0,0|1,1,0]=4 954 B9R1.7 CC=Cc1noc(n1)C 270196a_200000210507_100000070787 [1,0,0,1,0,0|2,0,0]=4 955 B9R1.7 CC=Cc1noc(n1)C 271570a_100016259895_100012003639 [1,0,0,1,0,0|2,0,0]=4 956 B9R1.13 CC(=O)CC1=CCCC1 1458a_100000050221_200000210301 [1,0,0,1,0,0|0,0,2]=4 957 B9R1.13 CC(=O)CC1C=CCC1 1458a_100000212241_200000210301 [1,0,0,1,0,0|0,0,2]=4 958 B9R1.13 CC(=O)CC1CC=CC1 1458a_200000137526_200000210301 [1,0,0,1,0,0|0,0,2]=4 959 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100000070787_100000707719 [1,0,0,1,0,0|2,0,0]=4 960 B9R1.13 CC(=O)Cc1c[nH]cn1 1458a_100015291406_200000210301 [1,0,0,1,0,0|2,0,0]=4 961 B9R1.13 CC(=O)Cc1ccc[nH]1 1458a_100000238377_200000210301 [1,0,0,1,0,0|1,0,0]=3 962 B9R1.13 CC(=O)Cc1ccco1 1458a_100011217309_200000210301 [1,0,0,1,0,0|1,0,0]=3 963 B9R1.13 CC(=O)Cc1cccs1 1458a_100000210189_200000210301 [1,0,0,1,0,0|1,0,0]=3 964 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000070787_100000728653 [1,0,0,1,0,0|2,0,0]=4 965 B9R1.13 CC(=O)Cc1ccn[nH]1 1458a_100000752941_200000210301 [1,0,0,1,0,0|2,0,0]=4 966 B9R1.13 CC(=O)Cc1ccoc1 1458a_100000684892_200000210301 [1,0,0,1,0,0|1,0,1]=4 967 B9R1.13 CC(=O)Cc1ccon1 1458a_100000070787_100000234950 [1,0,0,1,0,0|2,0,0]=4 968 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000070787_100011233845 [1,0,0,1,0,0|1,0,1]=4 969 B9R1.13 CC(=O)Cc1ccsc1 1458a_100000184062_200000210301 [1,0,0,1,0,0|1,0,1]=4 970 B9R1.13 CC(=O)Cc1cncs1 1458a_100000070787_100015185245 [1,0,0,1,0,0|2,0,0]=4 971 B9R1.13 CC(=O)Cc1cscn1 1458a_100000070787_100000205941 [1,0,0,1,0,0|2,0,0]=4 972 B9R1.13 CC(=O)Cc1cscn1 1458a_100011438297_200000210301 [1,0,0,1,0,0|2,0,0]=4 973 B9R1.13 CC(=O)Cc1ncco1 1458a_100000070787_103436540062 [1,0,0,1,0,0|2,0,0]=4 974 B9R1.13 CC(=O)Cc1nccs1 1458a_100000070787_100015184050 [1,0,0,1,0,0|2,0,0]=4 975 B9R1.13 CC(=O)Cn1cccc1 1458a_100011196272_200000210301 [1,0,0,1,0,0|1,0,1]=4 976 B9R1.13 CC(=O)Cn1cccn1 1458a_100000233772_200000210301 [1,0,0,1,0,0|2,0,0]=4 977 B9R1.13 CC(=O)NC1CC=CC1 11a_100015188752_100015343762 [1,0,0,1,0,0|1,0,1]=4 978 B9R1.13 CC(=O)NC1CC=CC1 1626a_100015188752_100015343762 [1,0,0,1,0,0|1,0,1]=4 979 B9R1.13 CC(=O)NC1CC=CC1 240690a_100015188752_100015343762 [1,0,0,1,0,0|1,0,1]=4 980 B9R1.13 CC(=O)NC1CC=CC1 527a_100015188752_100103153847 [1,0,0,1,0,0|1,0,1]=4 981 B9R1.13 [13CH3]C(=O)CC1=CCCC1 1458a_100000050221_200025704644 [1,0,0,1,0,0|0,0,2]=4 982 B9R1.13 [13CH3]C(=O)CC1C=CCC1 1458a_100000212241_200025704644 [1,0,0,1,0,0|0,0,2]=4 983 B9R1.13 [13CH3]C(=O)CC1CC=CC1 1458a_200000137526_200025704644 [1,0,0,1,0,0|0,0,2]=4 984 B9R1.13 [13CH3]C(=O)Cc1c[nH]cn1 1458a_100015291406_200025704644 [1,0,0,1,0,0|2,0,0]=4 985 B9R1.13 [13CH3]C(=O)Cc1ccc[nH]1 1458a_100000238377_200025704644 [1,0,0,1,0,0|1,0,0]=3 986 B9R1.13 [13CH3]C(=O)Cc1ccco1 1458a_100011217309_200025704644 [1,0,0,1,0,0|1,0,0]=3 987 B9R1.13 [13CH3]C(=O)Cc1cccs1 1458a_100000210189_200025704644 [1,0,0,1,0,0|1,0,0]=3 988 B9R1.13 [13CH3]C(=O)Cc1ccn[nH]1 1458a_100000752941_200025704644 [1,0,0,1,0,0|2,0,0]=4 989 B9R1.13 [13CH3]C(=O)Cc1ccoc1 1458a_100000684892_200025704644 [1,0,0,1,0,0|1,0,1]=4 990 B9R1.13 [13CH3]C(=O)Cc1ccsc1 1458a_100000184062_200025704644 [1,0,0,1,0,0|1,0,1]=4 991 B9R1.13 [13CH3]C(=O)Cc1cscn1 1458a_100011438297_200025704644 [1,0,0,1,0,0|2,0,0]=4 992 B9R1.13 [13CH3]C(=O)Cn1cccc1 1458a_100011196272_200025704644 [1,0,0,1,0,0|1,0,1]=4 993 B9R1.13 [13CH3]C(=O)Cn1cccn1 1458a_100000233772_200025704644 [1,0,0,1,0,0|2,0,0]=4 994 B11R1.15 CC=CC(=O)N1CNC(=O)C1 11a_200000708111_100000210699 [0,1,0,1,0,0|2,0,0]=4 995 B11R1.15 CC=CC(=O)N1CNC(=O)C1 1626a_200000708111_100000210699 [0,1,0,1,0,0|2,0,0]=4 996 B11R1.15 CC=CC(=O)N1CNC(=O)C1 240690a_200000708111_100000210699 [0,1,0,1,0,0|2,0,0]=4 997 B11R1.90 CC(=O)C=Cc1sccc1C 1458a_100000185125_200000210301 [0,1,0,1,0,0|1,0,1]=4 998 B11R1.90 CC(=O)CCc1ccnn1C 1458a_100000763893_200000210301 [0,1,0,1,0,0|2,0,0]=4 999 B11R1.90 CC(=O)CCc1nccn1C 1458a_200011261795_200000210301 [0,1,0,1,0,0|2,0,0]=4 1000 B11R1.90 CC(=O)CCc1scnc1C 1458a_100000070787_100000057103 [0,1,0,1,0,0|2,0,0]=4 1001 B11R1.90 CC(=O)CCc1scnc1C 1458a_100011934404_200000210301 [0,1,0,1,0,0|2,0,0]=4 1002 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000070787_100000742477 [0,1,0,1,0,0|2,0,0]=4 1003 B11R1.90 CC(=O)CCn1ccnc1C 1458a_100000186006_200000210301 [0,1,0,1,0,0|2,0,0]=4 1004 B11R1.90 CC(=O)CCn1nccc1C 1458a_100000070787_100011934269 [0,1,0,1,0,0|2,0,0]=4 1005 B11R1.90 CC(=O)CCn1nccc1C 1458a_200000759149_200000210301 [0,1,0,1,0,0|2,0,0]=4 1006 B11R1.90 CC(=O)NCc1c[nH]nc1C 240690a_100000737071_100015343762 [0,1,0,1,0,0|2,0,0]=4 1007 B11R1.90 CC(=O)NCc1c[nH]nc1C 527a_100000737071_100103153847 [0,1,0,1,0,0|2,0,0]=4 1008 B11R1.90 CC(=O)NCc1cccn1C 11a_100011219357_100015343762 [0,1,0,1,0,0|1,0,0]=3 1009 B11R1.90 CC(=O)NCc1cccn1C 1626a_100011219357_100015343762 [0,1,0,1,0,0|1,0,0]=3 1010 B11R1.90 CC(=O)NCc1cccn1C 240690a_100011219357_100015343762 [0,1,0,1,0,0|1,0,0]=3 1011 B11R1.90 CC(=O)NCc1cccn1C 527a_100011219357_100103153847 [0,1,0,1,0,0|1,0,0]=3 1012 B11R1.90 CC(=O)NCc1ccnn1C 11a_100025706696_100015343762 [0,1,0,1,0,0|2,0,0]=4 1013 B11R1.90 CC(=O)NCc1ccnn1C 240690a_100025706696_100015343762 [0,1,0,1,0,0|2,0,0]=4 1014 B11R1.90 CC(=O)NCc1ccnn1C 527a_100025706696_100103153847 [0,1,0,1,0,0|2,0,0]=4 1015 B11R1.90 CC(=O)NCc1ccsc1Br 11a_100000727803_100015343762 [0,1,0,1,0,0|2,0,0]=4 1016 B11R1.90 CC(=O)NCc1ccsc1Br 1626a_100000727803_100015343762 [0,1,0,1,0,0|2,0,0]=4 1017 B11R1.90 CC(=O)NCc1ccsc1Br 240690a_100000727803_100015343762 [0,1,0,1,0,0|2,0,0]=4 1018 B11R1.90 CC(=O)NCc1ccsc1Br 527a_100000727803_100103153847 [0,1,0,1,0,0|2,0,0]=4 1019 B11R1.90 CC(=O)NCc1cncn1C 11a_100000732891_100015343762 [0,1,0,1,0,0|2,0,0]=4 1020 B11R1.90 CC(=O)NCc1cncn1C 240690a_100000732891_100015343762 [0,1,0,1,0,0|2,0,0]=4 1021 B11R1.90 CC(=O)NCc1cncn1C 527a_100000732891_100103153847 [0,1,0,1,0,0|2,0,0]=4 1022 B11R1.90 CC(=O)NCc1nccn1C 11a_100015186572_100015343762 [0,1,0,1,0,0|2,0,0]=4 1023 B11R1.90 CC(=O)NCc1nccn1C 240690a_100015186572_100015343762 [0,1,0,1,0,0|2,0,0]=4 1024 B11R1.90 CC(=O)NCc1nccn1C 527a_100015186572_100103153847 [0,1,0,1,0,0|2,0,0]=4 1025 B11R1.90 CC(=O)NCc1sccc1C 11a_100000238519_100015343762 [0,1,0,1,0,0|1,0,0]=3 1026 B11R1.90 CC(=O)NCc1sccc1C 1626a_100000238519_100015343762 [0,1,0,1,0,0|1,0,0]=3 1027 B11R1.90 CC(=O)NCc1sccc1C 240690a_100000238519_100015343762 [0,1,0,1,0,0|1,0,0]=3 1028 B11R1.90 CC(=O)NCc1sccc1C 527a_100000238519_100103153847 [0,1,0,1,0,0|1,0,0]=3 1029 B11R1.90 CC(=O)NCc1sccc1Cl 11a_100011934584_100015343762 [0,1,0,1,0,0|2,0,0]=4 1030 B11R1.90 CC(=O)NCc1sccc1Cl 1626a_100011934584_100015343762 [0,1,0,1,0,0|2,0,0]=4 1031 B11R1.90 CC(=O)NCc1sccc1Cl 240690a_100011934584_100015343762 [0,1,0,1,0,0|2,0,0]=4 1032 B11R1.90 CC(=O)NCc1sccc1Cl 527a_100011934584_100103153847 [0,1,0,1,0,0|2,0,0]=4 1033 B11R1.90 CC(=O)NCc1scnc1C 11a_100000752186_100015343762 [0,1,0,1,0,0|2,0,0]=4 1034 B11R1.90 CC(=O)NCc1scnc1C 1626a_100000752186_100015343762 [0,1,0,1,0,0|2,0,0]=4 1035 B11R1.90 CC(=O)NCc1scnc1C 240690a_100000752186_100015343762 [0,1,0,1,0,0|2,0,0]=4 1036 B11R1.90 CC(=O)NCc1scnc1C 527a_100000752186_100103153847 [0,1,0,1,0,0|2,0,0]=4 1037 B11R1.90 Cc1ccnn1CCC(=O)[13CH3] 1458a_200000759149_200025704644 [0,1,0,1,0,0|2,0,0]=4 1038 B11R1.90 Cc1ccoc1COC(C)C 34a_100011273948_100000210206 [0,1,0,1,0,0|1,0,1]=4 1039 B11R1.90 Cc1ccoc1COC(C)C 7a_100011273948_100000210206 [0,1,0,1,0,0|1,0,1]=4 1040 B11R1.90 Cc1ccsc1C=CC(=O)[13CH3] 1458a_100000185125_200025704644 [0,1,0,1,0,0|1,0,1]=4 1041 B11R1.90 Cc1ccsc1COC(C)C 34a_100000238368_100000210206 [0,1,0,1,0,0|1,0,1]=4 1042 B11R1.90 Cc1ccsc1COC(C)C 7a_100000238368_100000210206 [0,1,0,1,0,0|1,0,1]=4 1043 B11R1.90 Cc1nccn1CCC(=O)[13CH3] 1458a_100000186006_200025704644 [0,1,0,1,0,0|2,0,0]=4 1044 B11R1.90 Cc1ncsc1CCC(=O)[13CH3] 1458a_100011934404_200025704644 [0,1,0,1,0,0|2,0,0]=4 1045 B11R1.90 Cc1occc1COC(C)C 34a_100011219433_100000210206 [0,1,0,1,0,0|1,0,1]=4 1046 B11R1.90 Cc1occc1COC(C)C 7a_100011219433_100000210206 [0,1,0,1,0,0|1,0,1]=4 1047 B11R1.90 Cn1ccnc1CCC(=O)[13CH3] 1458a_200011261795_200025704644 [0,1,0,1,0,0|2,0,0]=4 1048 B11R1.90 Cn1nccc1CCC(=O)[13CH3] 1458a_100000763893_200025704644 [0,1,0,1,0,0|2,0,0]=4 1049 B11R1.124 CC=Cc1ccc([nH]1)C(=O)C 271570a_100016259895_200010494458 [0,1,0,1,0,0|1,0,1]=4 1050 B11R1.124 CC=Cc1ccc(o1)C(=O)C 271570a_100016259895_100000229899 [0,1,0,1,0,0|1,0,1]=4 1051 B11R1.124 CC=Cc1ccc(s1)C(=O)C 271570a_100016259895_100000183331 [0,1,0,1,0,0|1,0,1]=4 1052 B11R1.124 CC=Cc1cnc(s1)C(=O)C 271570a_100016259895_100000693680 [0,1,0,1,0,0|2,0,0]=4 1053 B11R1.124 CC=Cc1cnn(c1)C(=O)C 271570a_100016259895_100010205889 [0,1,0,1,0,0|2,0,0]=4 1054 B11R1.124 CC=Cc1csc(c1)C(=O)C 271570a_100016259895_100000718618 [0,1,0,1,0,0|2,0,0]=4 1055 B11R1.124 CC=Cc1csc(n1)C(=O)C 271570a_100016259895_100010231720 [0,1,0,1,0,0|2,0,0]=4 1056 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100000070787_100000211840 [0,1,0,1,0,0|1,0,1]=4 1057 B11R1.157 CC(=O)Cc1cccc(c1)C 1458a_100011206899_200000210301 [0,1,0,1,0,0|1,0,1]=4 1058 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100000070787_100000757606 [0,1,0,1,0,0|1,0,1]=4 1059 B11R1.157 CC(=O)Cc1cccc(n1)C 1458a_100012001110_200000210301 [0,1,0,1,0,0|1,0,1]=4 1060 B11R1.157 CC(=O)Nc1cccc(c1)C 11a_100000188690_100015343762 [0,1,0,1,0,0|1,0,1]=4 1061 B11R1.157 CC(=O)Nc1cccc(c1)C 1626a_100000188690_100015343762 [0,1,0,1,0,0|1,0,1]=4 1062 B11R1.157 CC(=O)Nc1cccc(c1)C 22a_100000188690_100000070787 [0,1,0,1,0,0|1,0,1]=4 1063 B11R1.157 CC(=O)Nc1cccc(c1)C 527a_100000188690_100103153847 [0,1,0,1,0,0|1,0,1]=4 1064 B11R1.157 CC(=O)Oc1cccc(c1)O 271570a_203496583355_100009811612 [0,1,0,1,0,0|0,0,2]=4 1065 B11R1.157 Cc1cccc(c1)CC(=O)[13CH3] 1458a_100011206899_200025704644 [0,1,0,1,0,0|1,0,1]=4 1066 B11R1.157 Cc1cccc(n1)CC(=O)[13CH3] 1458a_100012001110_200025704644 [0,1,0,1,0,0|1,0,1]=4 1067 B11R1.166 CC(=O)c1ccc(cc1C)Br 1458a_100000741311_200000210301 [0,1,0,1,0,0|1,0,1]=4 1068 B11R1.166 CC(=O)c1ccc(cc1C)C 1458a_100000211164_200000210301 [0,1,0,1,0,0|1,0,1]=4 1069 B11R1.166 CC(=O)c1ccc(cc1C)Cl 1458a_100000688705_200000210301 [0,1,0,1,0,0|1,0,1]=4 1070 B11R1.166 CC(=O)c1ccc(cc1C)F 1458a_100000686989_200000210301 [0,1,0,1,0,0|1,0,1]=4 1071 B11R1.166 CC(=O)c1ccc(cc1C)I 1458a_100010189873_200000210301 [0,1,0,1,0,0|1,0,1]=4 1072 B11R1.166 CC(=O)c1ccc(cc1C)O 1458a_100000692822_200000210301 [0,1,0,1,0,0|1,0,1]=4 1073 B11R1.166 CC(=O)c1ccc(cc1C)O 271570a_203496583355_100012360112 [0,1,0,1,0,0|1,0,1]=4 1074 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Br 1458a_100000741311_200025704644 [0,1,0,1,0,0|1,0,1]=4 1075 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])Cl 1458a_100000688705_200025704644 [0,1,0,1,0,0|1,0,1]=4 1076 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])F 1458a_100000686989_200025704644 [0,1,0,1,0,0|1,0,1]=4 1077 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])I 1458a_100010189873_200025704644 [0,1,0,1,0,0|1,0,1]=4 1078 B11R1.166 Cc1cc(ccc1C(=O)[13CH3])O 1458a_100000692822_200025704644 [0,1,0,1,0,0|1,0,1]=4 1079 B11R1.166 Cc1ccc(c(c1)C)C(=O)[13CH3] 1458a_100000211164_200025704644 [0,1,0,1,0,0|1,0,1]=4 1080 B11R1.172 C=C(C)COCc1ccco1 34a_100000210059_100000748629 [0,1,0,1,0,0|2,0,0]=4 1081 B11R1.172 C=C(C)COCc1cccs1 34a_100000211240_100000748629 [0,1,0,1,0,0|2,0,0]=4 1082 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000070787_100010992444 [0,1,0,1,0,0|2,0,0]=4 1083 B11R1.172 CC(=O)CCCc1cccs1 1458a_100000184482_200000210301 [0,1,0,1,0,0|2,0,0]=4 1084 B11R1.172 CC(=O)CCSc1ccco1 62a_100000053229_100009814098 [0,1,0,1,0,0|2,0,0]=4 1085 B11R1.172 CC(=O)CCSc1ccco1 62a_100009814098_100000053229 [0,1,0,1,0,0|2,0,0]=4 1086 B11R1.172 CC(=O)CCSc1cccs1 62a_100000053229_100011215356 [0,1,0,1,0,0|2,0,0]=4 1087 B11R1.172 CC(=O)CCSc1cccs1 62a_100011215356_100000053229 [0,1,0,1,0,0|2,0,0]=4 1088 B11R1.172 CC(=O)COCc1c[nH]cn1 34a_100000211253_100000707719 [0,1,0,1,0,0|2,0,0]=4 1089 B11R1.172 CC(=O)COCc1ccn[nH]1 34a_100000211253_100000728653 [0,1,0,1,0,0|2,0,0]=4 1090 B11R1.172 CC(=O)COCc1ccon1 34a_100000211253_100000234950 [0,1,0,1,0,0|2,0,0]=4 1091 B11R1.172 CC(=O)COCc1ccsc1 34a_100000211253_100011261437 [0,1,0,1,0,0|1,0,1]=4 1092 B11R1.172 CC(=O)COCc1cncs1 34a_100000211253_100015185245 [0,1,0,1,0,0|2,0,0]=4 1093 B11R1.172 CC(=O)COCc1cscn1 34a_100000211253_100000205941 [0,1,0,1,0,0|2,0,0]=4 1094 B11R1.172 CC(=O)COCc1ncc[nH]1 34a_100000211253_100016991755 [0,1,0,1,0,0|2,0,0]=4 1095 B11R1.172 CC(=O)COCc1ncco1 34a_100000211253_103436540062 [0,1,0,1,0,0|2,0,0]=4 1096 B11R1.172 CC(=O)COCc1nccs1 34a_100000211253_100015184050 [0,1,0,1,0,0|2,0,0]=4 1097 B11R1.172 CC(=O)NCCc1ccco1 11a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 1098 B11R1.172 CC(=O)NCCc1ccco1 1626a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 1099 B11R1.172 CC(=O)NCCc1ccco1 240690a_100000694680_100015343762 [0,1,0,1,0,0|2,0,0]=4 1100 B11R1.172 CC(=O)NCCc1ccco1 527a_100000694680_100103153847 [0,1,0,1,0,0|2,0,0]=4 1101 B11R1.172 CC(=O)NCCc1cccs1 11a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 1102 B11R1.172 CC(=O)NCCc1cccs1 1626a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 1103 B11R1.172 CC(=O)NCCc1cccs1 240690a_100000203755_100015343762 [0,1,0,1,0,0|2,0,0]=4 1104 B11R1.172 CC(=O)NCCc1cccs1 527a_100000203755_100103153847 [0,1,0,1,0,0|2,0,0]=4 1105 B11R1.172 CC(=O)OCCN1CC=CC1 269982a_100015195280_100009814007 [0,1,0,1,0,0|0,0,2]=4 1106 B11R1.172 CC(=O)OCOc1ccsc1 34a_100000106738_100009813279 [0,1,0,1,0,0|1,0,1]=4 1107 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000076356_100000756875 [0,1,0,1,0,0|2,0,0]=4 1108 B11R1.172 CC(=O)OCSc1c[nH]cn1 62a_100000756875_100000076356 [0,1,0,1,0,0|2,0,0]=4 1109 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000062575_100000076356 [0,1,0,1,0,0|2,0,0]=4 1110 B11R1.172 CC(=O)OCSc1cc[nH]n1 62a_100000076356_100000062575 [0,1,0,1,0,0|2,0,0]=4 1111 B11R1.172 CC(=O)OCSc1ccco1 62a_100000076356_100009814098 [0,1,0,1,0,0|1,0,0]=3 1112 B11R1.172 CC(=O)OCSc1ccco1 62a_100009814098_100000076356 [0,1,0,1,0,0|1,0,0]=3 1113 B11R1.172 CC(=O)OCSc1cccs1 62a_100000076356_100011215356 [0,1,0,1,0,0|1,0,0]=3 1114 B11R1.172 CC(=O)OCSc1cccs1 62a_100011215356_100000076356 [0,1,0,1,0,0|1,0,0]=3 1115 B11R1.172 CC(=O)OCSc1ccoc1 62a_100000076356_100011215275 [0,1,0,1,0,0|1,0,1]=4 1116 B11R1.172 CC(=O)OCSc1ccoc1 62a_100011215275_100000076356 [0,1,0,1,0,0|1,0,1]=4 1117 B11R1.172 CC(=O)OCSc1ccon1 62a_100000076356_100009818083 [0,1,0,1,0,0|2,0,0]=4 1118 B11R1.172 CC(=O)OCSc1ccon1 62a_100009818083_100000076356 [0,1,0,1,0,0|2,0,0]=4 1119 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000076356_100000738268 [0,1,0,1,0,0|1,0,1]=4 1120 B11R1.172 CC(=O)OCSc1ccsc1 62a_100000738268_100000076356 [0,1,0,1,0,0|1,0,1]=4 1121 B11R1.172 CC(=O)OCSc1ccsn1 62a_100000076356_100009818082 [0,1,0,1,0,0|2,0,0]=4 1122 B11R1.172 CC(=O)OCSc1ccsn1 62a_100009818082_100000076356 [0,1,0,1,0,0|2,0,0]=4 1123 B11R1.172 CC(=O)OCSc1cnco1 62a_100000076356_100020591547 [0,1,0,1,0,0|2,0,0]=4 1124 B11R1.172 CC(=O)OCSc1cnco1 62a_100020591547_100000076356 [0,1,0,1,0,0|2,0,0]=4 1125 B11R1.172 CC(=O)OCSc1cncs1 62a_100000076356_100011934649 [0,1,0,1,0,0|2,0,0]=4 1126 B11R1.172 CC(=O)OCSc1cncs1 62a_100011934649_100000076356 [0,1,0,1,0,0|2,0,0]=4 1127 B11R1.172 CC(=O)OCSc1cscn1 62a_100000076356_100000751502 [0,1,0,1,0,0|2,0,0]=4 1128 B11R1.172 CC(=O)OCSc1cscn1 62a_100000751502_100000076356 [0,1,0,1,0,0|2,0,0]=4 1129 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100000076356_100025796157 [0,1,0,1,0,0|2,0,0]=4 1130 B11R1.172 CC(=O)OCSc1ncc[nH]1 62a_100025796157_100000076356 [0,1,0,1,0,0|2,0,0]=4 1131 B11R1.172 CC(=O)OCSc1ncco1 62a_100000076356_100011787736 [0,1,0,1,0,0|2,0,0]=4 1132 B11R1.172 CC(=O)OCSc1ncco1 62a_100011787736_100000076356 [0,1,0,1,0,0|2,0,0]=4 1133 B11R1.172 CC(=O)OCSc1nccs1 62a_100000076356_100000211983 [0,1,0,1,0,0|2,0,0]=4 1134 B11R1.172 CC(=O)OCSc1nccs1 62a_100000211983_100000076356 [0,1,0,1,0,0|2,0,0]=4 1135 B11R1.172 NC(=O)COCc1ccco1 34a_100000210059_100000187820 [0,1,0,1,0,0|2,0,0]=4 1136 B11R1.172 NC(=O)COCc1cccs1 34a_100000211240_100000187820 [0,1,0,1,0,0|2,0,0]=4 1137 B11R1.172 O=C([O-])COCc1ccco1 34a_100000210059_100020667443 [0,1,0,1,0,0|2,0,0]=4 1138 B11R1.172 O=C([O-])COCc1cccs1 34a_100000211240_100020667443 [0,1,0,1,0,0|2,0,0]=4 1139 B11R1.172 [13CH3]C(=O)CCCc1cccs1 1458a_100000184482_200025704644 [0,1,0,1,0,0|2,0,0]=4 1140 B11R1.201 CC=CC(=O)CC1CC(=O)C1 1458a_100000210699_100009874392 [0,1,0,1,0,0|1,0,1]=4 1141 B11R1.24 CC=CCN1CCOC(=O)C1 2230a_100000131268_100000070051 [0,1,0,1,0,0|0,0,2]=4 1142 B11R1.27 C/C=C/COC1COC(=O)O1 34a_100016270725_100000032252 [0,1,0,1,0,0|1,0,1]=4 1143 B11R1.27 C/C=C/CSC1COC(=O)O1 62a_100102629194_100000032252 [0,1,0,1,0,0|1,0,1]=4 1144 B11R1.27 CC=CCSC1COC(=O)O1 62a_100000070051_100000032252 [0,1,0,1,0,0|1,0,1]=4 1145 B11R1.53 CC(=O)c1ccccc1CO 1458a_100011301526_200000210301 [0,1,0,1,0,0|1,0,1]=4 1146 B11R1.53 CC(=O)c1ccccc1S[13CH3] 62a_100000751169_200025704644 [0,1,0,1,0,0|1,0,1]=4 1147 B11R1.53 CC(=O)c1ncccc1O[13CH3] 34a_100000087166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1148 B11R1.53 CC(=O)c1ncccc1O[13CH3] 7a_100000087166_200025704644 [0,1,0,1,0,0|2,0,0]=4 1149 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_100012348690_200025704644 [0,1,0,1,0,0|2,0,0]=4 1150 B11R1.53 CC(=O)c1ncccc1S[13CH3] 62a_200025704644_100012348690 [0,1,0,1,0,0|2,0,0]=4 1151 B11R1.53 CCc1ccccc1C(=O)C 1458a_100000689120_200000210301 [0,1,0,1,0,0|1,0,1]=4 1152 B11R1.53 CCc1ccccc1C(=O)[13CH3] 1458a_100000689120_200025704644 [0,1,0,1,0,0|1,0,1]=4 1153 B11R1.53 COc1ccccc1C(=O)C 1458a_100000185835_200000210301 [0,1,0,1,0,0|1,0,1]=4 1154 B11R1.53 COc1ccccc1C(=O)[13CH3] 1458a_100000185835_200025704644 [0,1,0,1,0,0|1,0,1]=4 1155 B11R1.53 COc1cccnc1C(=O)C 34a_100000087166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1156 B11R1.53 COc1cccnc1C(=O)C 7a_100000087166_200000210301 [0,1,0,1,0,0|2,0,0]=4 1157 B11R1.53 CSc1ccccc1C(=O)C 1458a_100000183967_200000210301 [0,1,0,1,0,0|1,0,1]=4 1158 B11R1.53 CSc1ccccc1C(=O)C 62a_100000751169_200000210301 [0,1,0,1,0,0|1,0,1]=4 1159 B11R1.53 CSc1ccccc1C(=O)[13CH3] 1458a_100000183967_200025704644 [0,1,0,1,0,0|1,0,1]=4 1160 B11R1.53 CSc1cccnc1C(=O)C 62a_100012348690_200000210301 [0,1,0,1,0,0|2,0,0]=4 1161 B11R1.53 CSc1cccnc1C(=O)C 62a_200000210301_100012348690 [0,1,0,1,0,0|2,0,0]=4 1162 B11R1.53 [13CH3]C(=O)c1ccccc1CO 1458a_100011301526_200025704644 [0,1,0,1,0,0|1,0,1]=4 1163 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000070787_100000211839 [0,1,0,1,0,0|1,0,1]=4 1164 B11R1.86 CC(=O)Cc1ccccc1C 1458a_100000212180_200000210301 [0,1,0,1,0,0|1,0,1]=4 1165 B11R1.86 CC(=O)Cc1cccnc1C 1458a_100000070787_100000732876 [0,1,0,1,0,0|1,0,1]=4 1166 B11R1.86 CC(=O)Cc1ccncc1C 1458a_100000070787_100020672808 [0,1,0,1,0,0|1,0,1]=4 1167 B11R1.86 CC(=O)Cc1cnccc1C 1458a_100000070787_100000690890 [0,1,0,1,0,0|1,0,1]=4 1168 B11R1.86 CC(=O)Cc1ncccc1C 1458a_100000070787_100000696600 [0,1,0,1,0,0|1,0,1]=4 1169 B11R1.86 CC(=O)Cc1ncccc1C 1458a_200000722269_200000210301 [0,1,0,1,0,0|1,0,1]=4 1170 B11R1.86 CC(=O)Nc1ccccc1C 11a_100015192222_100015343762 [0,1,0,1,0,0|1,0,1]=4 1171 B11R1.86 CC(=O)Nc1ccccc1C 1626a_100015192222_100015343762 [0,1,0,1,0,0|1,0,1]=4 1172 B11R1.86 CC(=O)Nc1ccccc1C 22a_100015192222_100000070787 [0,1,0,1,0,0|1,0,1]=4 1173 B11R1.86 CC(=O)Nc1ccccc1C 527a_100015192222_100103153847 [0,1,0,1,0,0|1,0,1]=4 1174 B11R1.86 CC(=O)Oc1ccccc1O 271570a_203496583355_100000051690 [0,1,0,1,0,0|0,0,2]=4 1175 B11R1.86 CC(=O)Oc1cccnc1O 271570a_203496583355_200009815371 [0,1,0,1,0,0|1,0,1]=4 1176 B11R1.86 Cc1ccccc1CC(=O)[13CH3] 1458a_100000212180_200025704644 [0,1,0,1,0,0|1,0,1]=4 1177 B11R1.86 Cc1cccnc1CC(=O)[13CH3] 1458a_200000722269_200025704644 [0,1,0,1,0,0|1,0,1]=4 1178 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000070787_100000765856 [0,1,0,1,0,0|1,0,1]=4 1179 B11R1.91 CC(=O)CCc1ccccc1 1458a_100000185753_200000210301 [0,1,0,1,0,0|1,0,1]=4 1180 B11R1.91 CC(=O)CCc1ccccn1 1458a_100000070787_100015183660 [0,1,0,1,0,0|1,0,1]=4 1181 B11R1.91 CC(=O)CCc1ccccn1 1458a_100015195070_200000210301 [0,1,0,1,0,0|1,0,1]=4 1182 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000070787_200011713674 [0,1,0,1,0,0|1,0,1]=4 1183 B11R1.91 CC(=O)CCc1cccnc1 1458a_100000198484_200000210301 [0,1,0,1,0,0|1,0,1]=4 1184 B11R1.91 CC(=O)CCc1ccncc1 1458a_100000070787_100000723409 [0,1,0,1,0,0|1,0,1]=4 1185 B11R1.91 CC(=O)CCc1ccncc1 1458a_100011225043_200000210301 [0,1,0,1,0,0|1,0,1]=4 1186 B11R1.91 CC(=O)COc1ccccc1 1458a_100000186222_200000210301 [0,1,0,1,0,0|0,0,2]=4 1187 B11R1.91 CC(=O)COc1ccccn1 1458a_100102699861_200000210301 [0,1,0,1,0,0|1,0,1]=4 1188 B11R1.91 CC(=O)NCc1ccccc1 11a_100015324214_100015343762 [0,1,0,1,0,0|1,0,1]=4 1189 B11R1.91 CC(=O)NCc1ccccc1 1626a_100015324214_100015343762 [0,1,0,1,0,0|1,0,1]=4 1190 B11R1.91 CC(=O)NCc1ccccc1 240690a_100015324214_100015343762 [0,1,0,1,0,0|1,0,1]=4 1191 B11R1.91 CC(=O)NCc1ccccc1 527a_100015324214_100103153847 [0,1,0,1,0,0|1,0,1]=4 1192 B11R1.91 CC(=O)NCc1ccccn1 11a_100000210449_100015343762 [0,1,0,1,0,0|1,0,1]=4 1193 B11R1.91 CC(=O)NCc1ccccn1 1626a_100000210449_100015343762 [0,1,0,1,0,0|1,0,1]=4 1194 B11R1.91 CC(=O)NCc1ccccn1 240690a_100000210449_100015343762 [0,1,0,1,0,0|1,0,1]=4 1195 B11R1.91 CC(=O)NCc1ccccn1 527a_100000210449_100103153847 [0,1,0,1,0,0|1,0,1]=4 1196 B11R1.91 CC(=O)NCc1cccnc1 11a_100000210453_100015343762 [0,1,0,1,0,0|1,0,1]=4 1197 B11R1.91 CC(=O)NCc1cccnc1 240690a_100000210453_100015343762 [0,1,0,1,0,0|1,0,1]=4 1198 B11R1.91 CC(=O)NCc1cccnc1 527a_100000210453_100103153847 [0,1,0,1,0,0|1,0,1]=4 1199 B11R1.91 CC(=O)NCc1cccnn1 11a_100159270163_100015343762 [0,1,0,1,0,0|2,0,0]=4 1200 B11R1.91 CC(=O)NCc1cccnn1 240690a_100159270163_100015343762 [0,1,0,1,0,0|2,0,0]=4 1201 B11R1.91 CC(=O)NCc1cccnn1 527a_100159270163_100103153847 [0,1,0,1,0,0|2,0,0]=4 1202 B11R1.91 CC(=O)NCc1ccncc1 11a_100000210450_100015343762 [0,1,0,1,0,0|1,0,1]=4 1203 B11R1.91 CC(=O)NCc1ccncc1 1626a_100000210450_100015343762 [0,1,0,1,0,0|1,0,1]=4 1204 B11R1.91 CC(=O)NCc1ccncc1 240690a_100000210450_100015343762 [0,1,0,1,0,0|1,0,1]=4 1205 B11R1.91 CC(=O)NCc1ccncc1 527a_100000210450_100103153847 [0,1,0,1,0,0|1,0,1]=4 1206 B11R1.91 CC(=O)NCc1ccncn1 11a_100000736019_100015343762 [0,1,0,1,0,0|2,0,0]=4 1207 B11R1.91 CC(=O)NCc1ccncn1 240690a_100000736019_100015343762 [0,1,0,1,0,0|2,0,0]=4 1208 B11R1.91 CC(=O)NCc1ccncn1 527a_100000736019_100103153847 [0,1,0,1,0,0|2,0,0]=4 1209 B11R1.91 CC(=O)NCc1cnccn1 11a_100000737960_100015343762 [0,1,0,1,0,0|2,0,0]=4 1210 B11R1.91 CC(=O)NCc1cnccn1 240690a_100000737960_100015343762 [0,1,0,1,0,0|2,0,0]=4 1211 B11R1.91 CC(=O)NCc1cnccn1 527a_100000737960_100103153847 [0,1,0,1,0,0|2,0,0]=4 1212 B11R1.91 CC(=O)NCc1ncccn1 11a_100015189908_100015343762 [0,1,0,1,0,0|2,0,0]=4 1213 B11R1.91 CC(=O)NCc1ncccn1 240690a_100015189908_100015343762 [0,1,0,1,0,0|2,0,0]=4 1214 B11R1.91 CC(=O)NCc1ncccn1 527a_100015189908_100103153847 [0,1,0,1,0,0|2,0,0]=4 1215 B11R1.91 CC(=O)OCN1CC=CCC1 269982a_100000698166_100000076356 [0,1,0,1,0,0|0,0,2]=4 1216 B11R1.91 CC(=O)OCN1CC=CCC1 34a_100000698166_100009813279 [0,1,0,1,0,0|0,0,2]=4 1217 B11R1.91 [13CH3]C(=O)CCc1ccccc1 1458a_100000185753_200025704644 [0,1,0,1,0,0|1,0,1]=4 1218 B11R1.91 [13CH3]C(=O)CCc1ccccn1 1458a_100015195070_200025704644 [0,1,0,1,0,0|1,0,1]=4 1219 B11R1.91 [13CH3]C(=O)CCc1cccnc1 1458a_100000198484_200025704644 [0,1,0,1,0,0|1,0,1]=4 1220 B11R1.91 [13CH3]C(=O)CCc1ccncc1 1458a_100011225043_200025704644 [0,1,0,1,0,0|1,0,1]=4 1221 B11R1.91 [13CH3]C(=O)COc1ccccc1 1458a_100000186222_200025704644 [0,1,0,1,0,0|0,0,2]=4 1222 B11R1.91 [13CH3]C(=O)COc1ccccn1 1458a_100102699861_200025704644 [0,1,0,1,0,0|1,0,1]=4 1223 B11R1.99 C/C=C/C=C/COCC1CC1 34a_100016283227_100000742324 [0,1,0,1,0,0|1,0,1]=4 1224 B11R1.99 C/C=C/C=C/COCC1CO1 34a_100016283227_102125554688 [0,1,0,1,0,0|0,0,2]=4 1225 B11R1.193 CC=Cc1ccsc1C(=O)C 271570a_100016259895_100000738688 [0,1,0,1,0,0|0,1,1]=4 1226 B11R1.193 CC=Cc1ncsc1C(=O)C 271570a_100016259895_200010339033 [0,1,0,1,0,0|2,0,0]=4 1227 B11R1.77 CC(=O)NC(C)c1cccs1 11a_100000703493_100015343762 [0,1,0,1,0,0|2,0,0]=4 1228 B11R1.77 CC(=O)NC(C)c1cccs1 1626a_100000703493_100015343762 [0,1,0,1,0,0|2,0,0]=4 1229 B11R1.77 CC(=O)NC(C)c1cccs1 240690a_100000703493_100015343762 [0,1,0,1,0,0|2,0,0]=4 1230 B11R1.77 CC(=O)NC(C)c1cccs1 527a_100000703493_100103153847 [0,1,0,1,0,0|2,0,0]=4 1231 B11R1.77 CC(=O)N[C@H](C)c1ccco1 11a_100160469435_100015343762 [0,1,0,1,0,0|2,0,0]=4 1232 B11R1.77 CC(=O)N[C@H](C)c1ccco1 1626a_100160469435_100015343762 [0,1,0,1,0,0|2,0,0]=4 1233 B11R1.77 CC(=O)N[C@H](C)c1ccco1 240690a_100160469435_100015343762 [0,1,0,1,0,0|2,0,0]=4 1234 B11R1.77 CC(=O)N[C@H](C)c1ccco1 527a_100160469435_100103153847 [0,1,0,1,0,0|2,0,0]=4 1235 B11R1.77 CC(=O)OC(C)N1CC=CC1 269982a_100015195280_100009818208 [0,1,0,1,0,0|1,0,1]=4 1236 B11R1.156 CC(=O)c1c(cccc1Br)C 1458a_100000701904_200000210301 [0,1,0,1,0,0|1,0,1]=4 1237 B11R1.156 CC(=O)c1c(cccc1C)C 1458a_100000758298_200000210301 [0,1,0,1,0,0|1,0,1]=4 1238 B11R1.156 CC(=O)c1c(cccc1Cl)C 1458a_100000692601_200000210301 [0,1,0,1,0,0|1,0,1]=4 1239 B11R1.156 CC(=O)c1c(cccc1F)C 1458a_100000762013_200000210301 [0,1,0,1,0,0|1,0,1]=4 1240 B11R1.156 CC(=O)c1c(cccc1I)C 1458a_100000688020_200000210301 [0,1,0,1,0,0|1,0,1]=4 1241 B11R1.156 CC(=O)c1c(cccc1O)C 1458a_100011934116_200000210301 [0,1,0,1,0,0|1,0,1]=4 1242 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Br 1458a_100000701904_200025704644 [0,1,0,1,0,0|1,0,1]=4 1243 B11R1.156 Cc1cccc(c1C(=O)[13CH3])C 1458a_100000758298_200025704644 [0,1,0,1,0,0|1,0,1]=4 1244 B11R1.156 Cc1cccc(c1C(=O)[13CH3])Cl 1458a_100000692601_200025704644 [0,1,0,1,0,0|1,0,1]=4 1245 B11R1.156 Cc1cccc(c1C(=O)[13CH3])F 1458a_100000762013_200025704644 [0,1,0,1,0,0|1,0,1]=4 1246 B11R1.156 Cc1cccc(c1C(=O)[13CH3])I 1458a_100000688020_200025704644 [0,1,0,1,0,0|1,0,1]=4 1247 B11R1.156 Cc1cccc(c1C(=O)[13CH3])O 1458a_100011934116_200025704644 [0,1,0,1,0,0|1,0,1]=4 1248 B11R1.20 CC(=O)Oc1ccc(cc1)O 271570a_203496583355_100000002173 [0,1,0,1,0,0|0,0,2]=4 1249 B11R1.75 CC(=O)C=Cc1ccc(o1)C 1458a_100000183563_200000210301 [0,1,0,1,0,0|1,0,1]=4 1250 B11R1.75 CC(=O)C=Cc1ccc(s1)C 1458a_100102558089_200000210301 [0,1,0,1,0,0|1,0,1]=4 1251 B11R1.75 CC(=O)CCc1csc(n1)C 1458a_100000070787_100000695623 [0,1,0,1,0,0|2,0,0]=4 1252 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000070787_200011934056 [0,1,0,1,0,0|2,0,0]=4 1253 B11R1.75 CC(=O)CCn1ccc(n1)C 1458a_100000759146_200000210301 [0,1,0,1,0,0|2,0,0]=4 1254 B11R1.75 CC(=O)NCc1cc(cs1)Br 11a_100000741024_100015343762 [0,1,0,1,0,0|2,0,0]=4 1255 B11R1.75 CC(=O)NCc1cc(cs1)Br 1626a_100000741024_100015343762 [0,1,0,1,0,0|2,0,0]=4 1256 B11R1.75 CC(=O)NCc1cc(cs1)Br 240690a_100000741024_100015343762 [0,1,0,1,0,0|2,0,0]=4 1257 B11R1.75 CC(=O)NCc1cc(cs1)Br 527a_100000741024_100103153847 [0,1,0,1,0,0|2,0,0]=4 1258 B11R1.75 CC(=O)NCc1cc(cs1)C 11a_100015204214_100015343762 [0,1,0,1,0,0|2,0,0]=4 1259 B11R1.75 CC(=O)NCc1cc(cs1)C 1626a_100015204214_100015343762 [0,1,0,1,0,0|2,0,0]=4 1260 B11R1.75 CC(=O)NCc1cc(cs1)C 240690a_100015204214_100015343762 [0,1,0,1,0,0|2,0,0]=4 1261 B11R1.75 CC(=O)NCc1cc(cs1)C 527a_100015204214_100103153847 [0,1,0,1,0,0|2,0,0]=4 1262 B11R1.75 CC(=O)NCc1ccc(o1)Br 11a_100000708654_100015343762 [0,1,0,1,0,0|2,0,0]=4 1263 B11R1.75 CC(=O)NCc1ccc(o1)Br 1626a_100000708654_100015343762 [0,1,0,1,0,0|2,0,0]=4 1264 B11R1.75 CC(=O)NCc1ccc(o1)Br 240690a_100000708654_100015343762 [0,1,0,1,0,0|2,0,0]=4 1265 B11R1.75 CC(=O)NCc1ccc(o1)Br 527a_100000708654_100103153847 [0,1,0,1,0,0|2,0,0]=4 1266 B11R1.75 CC(=O)NCc1ccc(o1)C 11a_100011194323_100015343762 [0,1,0,1,0,0|1,0,0]=3 1267 B11R1.75 CC(=O)NCc1ccc(o1)C 1626a_100011194323_100015343762 [0,1,0,1,0,0|1,0,0]=3 1268 B11R1.75 CC(=O)NCc1ccc(o1)C 240690a_100011194323_100015343762 [0,1,0,1,0,0|1,0,0]=3 1269 B11R1.75 CC(=O)NCc1ccc(o1)C 527a_100011194323_100103153847 [0,1,0,1,0,0|1,0,0]=3 1270 B11R1.75 CC(=O)NCc1ccc(s1)Br 11a_100000737305_100015343762 [0,1,0,1,0,0|2,0,0]=4 1271 B11R1.75 CC(=O)NCc1ccc(s1)Br 1626a_100000737305_100015343762 [0,1,0,1,0,0|2,0,0]=4 1272 B11R1.75 CC(=O)NCc1ccc(s1)Br 240690a_100000737305_100015343762 [0,1,0,1,0,0|2,0,0]=4 1273 B11R1.75 CC(=O)NCc1ccc(s1)Br 527a_100000737305_100103153847 [0,1,0,1,0,0|2,0,0]=4 1274 B11R1.75 CC(=O)NCc1ccc(s1)C 11a_100000238518_100015343762 [0,1,0,1,0,0|1,0,0]=3 1275 B11R1.75 CC(=O)NCc1ccc(s1)C 1626a_100000238518_100015343762 [0,1,0,1,0,0|1,0,0]=3 1276 B11R1.75 CC(=O)NCc1ccc(s1)C 240690a_100000238518_100015343762 [0,1,0,1,0,0|1,0,0]=3 1277 B11R1.75 CC(=O)NCc1ccc(s1)C 527a_100000238518_100103153847 [0,1,0,1,0,0|1,0,0]=3 1278 B11R1.75 CC(=O)NCc1ccc(s1)Cl 11a_100000737310_100015343762 [0,1,0,1,0,0|2,0,0]=4 1279 B11R1.75 CC(=O)NCc1ccc(s1)Cl 1626a_100000737310_100015343762 [0,1,0,1,0,0|2,0,0]=4 1280 B11R1.75 CC(=O)NCc1ccc(s1)Cl 240690a_100000737310_100015343762 [0,1,0,1,0,0|2,0,0]=4 1281 B11R1.75 CC(=O)NCc1ccc(s1)Cl 527a_100000737310_100103153847 [0,1,0,1,0,0|2,0,0]=4 1282 B11R1.75 CC(=O)NCc1ccn(n1)C 11a_100020636201_100015343762 [0,1,0,1,0,0|2,0,0]=4 1283 B11R1.75 CC(=O)NCc1ccn(n1)C 240690a_100020636201_100015343762 [0,1,0,1,0,0|2,0,0]=4 1284 B11R1.75 CC(=O)NCc1ccn(n1)C 527a_100020636201_100103153847 [0,1,0,1,0,0|2,0,0]=4 1285 B11R1.75 CC(=O)NCc1cnc(s1)C 11a_200000743601_100015343762 [0,1,0,1,0,0|2,0,0]=4 1286 B11R1.75 CC(=O)NCc1cnc(s1)C 1626a_200000743601_100015343762 [0,1,0,1,0,0|2,0,0]=4 1287 B11R1.75 CC(=O)NCc1cnc(s1)C 240690a_200000743601_100015343762 [0,1,0,1,0,0|2,0,0]=4 1288 B11R1.75 CC(=O)NCc1cnc(s1)C 527a_200000743601_100103153847 [0,1,0,1,0,0|2,0,0]=4 1289 B11R1.75 CC(=O)NCc1csc(n1)C 11a_100000707933_100015343762 [0,1,0,1,0,0|2,0,0]=4 1290 B11R1.75 CC(=O)NCc1csc(n1)C 1626a_100000707933_100015343762 [0,1,0,1,0,0|2,0,0]=4 1291 B11R1.75 CC(=O)NCc1csc(n1)C 240690a_100000707933_100015343762 [0,1,0,1,0,0|2,0,0]=4 1292 B11R1.75 CC(=O)NCc1csc(n1)C 527a_100000707933_100103153847 [0,1,0,1,0,0|2,0,0]=4 1293 B11R1.75 CC(=O)NCc1nc(cs1)C 11a_100015183719_100015343762 [0,1,0,1,0,0|2,0,0]=4 1294 B11R1.75 CC(=O)NCc1nc(cs1)C 1626a_100015183719_100015343762 [0,1,0,1,0,0|2,0,0]=4 1295 B11R1.75 CC(=O)NCc1nc(cs1)C 240690a_100015183719_100015343762 [0,1,0,1,0,0|2,0,0]=4 1296 B11R1.75 CC(=O)NCc1nc(cs1)C 527a_100015183719_100103153847 [0,1,0,1,0,0|2,0,0]=4 1297 B11R1.75 CC(=O)NCc1ncc(o1)C 11a_100138411809_100015343762 [0,1,0,1,0,0|2,0,0]=4 1298 B11R1.75 CC(=O)NCc1ncc(o1)C 1626a_100138411809_100015343762 [0,1,0,1,0,0|2,0,0]=4 1299 B11R1.75 CC(=O)NCc1ncc(o1)C 240690a_100138411809_100015343762 [0,1,0,1,0,0|2,0,0]=4 1300 B11R1.75 CC(=O)NCc1ncc(o1)C 527a_100138411809_100103153847 [0,1,0,1,0,0|2,0,0]=4 1301 B11R1.75 CC(=O)NN=C1COC(=O)C1 4a_100000189765_100000211896 [0,1,0,1,0,0|2,0,0]=4 1302 B11R1.75 CC(=O)OCc1nc(no1)C 270196a_100000212224_100000183556 [0,1,0,1,0,0|2,0,0]=4 1303 B11R1.75 Cc1ccc(o1)C=CC(=O)[13CH3] 1458a_100000183563_200025704644 [0,1,0,1,0,0|1,0,1]=4 1304 B11R1.75 Cc1ccc(o1)COC(C)C 34a_100011232665_100000210206 [0,1,0,1,0,0|1,0,1]=4 1305 B11R1.75 Cc1ccc(o1)COC(C)C 7a_100011232665_100000210206 [0,1,0,1,0,0|1,0,1]=4 1306 B11R1.75 Cc1ccc(s1)C=CC(=O)[13CH3] 1458a_100102558089_200025704644 [0,1,0,1,0,0|1,0,1]=4 1307 B11R1.75 Cc1ccc(s1)COC(C)C 34a_100000238367_100000210206 [0,1,0,1,0,0|1,0,1]=4 1308 B11R1.75 Cc1ccn(n1)CCC(=O)[13CH3] 1458a_100000759146_200025704644 [0,1,0,1,0,0|2,0,0]=4 1309 B11R1.159 CC(=O)c1cccc(c1C)Br 1458a_100000760464_200000210301 [0,1,0,1,0,0|1,0,1]=4 1310 B11R1.159 CC(=O)c1cccc(c1C)C 1458a_100000183679_200000210301 [0,1,0,1,0,0|1,0,1]=4 1311 B11R1.159 CC(=O)c1cccc(c1C)Cl 1458a_100000690184_200000210301 [0,1,0,1,0,0|1,0,1]=4 1312 B11R1.159 CC(=O)c1cccc(c1C)F 1458a_100011218272_200000210301 [0,1,0,1,0,0|1,0,1]=4 1313 B11R1.159 CC(=O)c1cccc(c1C)I 1458a_100000751865_200000210301 [0,1,0,1,0,0|1,0,1]=4 1314 B11R1.159 CC(=O)c1cccc(c1C)O 1458a_100000766327_200000210301 [0,1,0,1,0,0|1,0,1]=4 1315 B11R1.159 CC(=O)c1cccc(c1C)O 271570a_203496583355_100012706834 [0,1,0,1,0,0|1,0,1]=4 1316 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Br 1458a_100000760464_200025704644 [0,1,0,1,0,0|1,0,1]=4 1317 B11R1.159 Cc1c(cccc1C(=O)[13CH3])Cl 1458a_100000690184_200025704644 [0,1,0,1,0,0|1,0,1]=4 1318 B11R1.159 Cc1c(cccc1C(=O)[13CH3])F 1458a_100011218272_200025704644 [0,1,0,1,0,0|1,0,1]=4 1319 B11R1.159 Cc1c(cccc1C(=O)[13CH3])I 1458a_100000751865_200025704644 [0,1,0,1,0,0|1,0,1]=4 1320 B11R1.159 Cc1c(cccc1C(=O)[13CH3])O 1458a_100000766327_200025704644 [0,1,0,1,0,0|1,0,1]=4 1321 B11R1.159 Cc1cccc(c1C)C(=O)[13CH3] 1458a_100000183679_200025704644 [0,1,0,1,0,0|1,0,1]=4 1322 B11R1.13 CC=Cc1cccc(=O)n1C 271570a_100016259895_100000726605 [0,1,0,1,0,0|1,0,1]=4 1323 B11R1.25 CCC(=O)CCc1ccc[nH]1 1458a_200011998680_100000210202 [0,1,0,1,0,0|2,0,0]=4 1324 B11R1.25 CCC(=O)CCc1ccco1 1458a_100000185103_100000210202 [0,1,0,1,0,0|2,0,0]=4 1325 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000185280_100000210202 [0,1,0,1,0,0|2,0,0]=4 1326 B11R1.25 CCC(=O)CCc1cccs1 1458a_100000210414_100000748579 [0,1,0,1,0,0|2,0,0]=4 1327 B11R1.25 CCC(=O)NCc1ccc[nH]1 11a_100000764082_100000210414 [0,1,0,1,0,0|2,0,0]=4 1328 B11R1.25 CCC(=O)NCc1ccc[nH]1 240690a_100000764082_100000210414 [0,1,0,1,0,0|2,0,0]=4 1329 B11R1.25 CCC(=O)NCc1ccc[nH]1 527a_100000764082_100000210414 [0,1,0,1,0,0|2,0,0]=4 1330 B11R1.25 CCC(=O)NCc1ccco1 11a_100000185738_100000210414 [0,1,0,1,0,0|2,0,0]=4 1331 B11R1.25 CCC(=O)NCc1ccco1 1626a_100000185738_100000210414 [0,1,0,1,0,0|2,0,0]=4 1332 B11R1.25 CCC(=O)NCc1ccco1 240690a_100000185738_100000210414 [0,1,0,1,0,0|2,0,0]=4 1333 B11R1.25 CCC(=O)NCc1ccco1 527a_100000185738_100000210414 [0,1,0,1,0,0|2,0,0]=4 1334 B11R1.25 CCC(=O)NCc1cccs1 11a_100000211653_100000210414 [0,1,0,1,0,0|2,0,0]=4 1335 B11R1.25 CCC(=O)NCc1cccs1 1626a_100000211653_100000210414 [0,1,0,1,0,0|2,0,0]=4 1336 B11R1.25 CCC(=O)NCc1cccs1 240690a_100000211653_100000210414 [0,1,0,1,0,0|2,0,0]=4 1337 B11R1.25 CCC(=O)NCc1cccs1 527a_100000211653_100000210414 [0,1,0,1,0,0|2,0,0]=4 1338 B11R1.25 CNC(=O)CCc1ccc[nH]1 11a_106832991635_200011998680 [0,1,0,1,0,0|2,0,0]=4 1339 B11R1.25 CNC(=O)CCc1ccc[nH]1 240690a_100102657272_200011998680 [0,1,0,1,0,0|2,0,0]=4 1340 B11R1.25 CNC(=O)CCc1ccc[nH]1 527a_100102657272_200011998680 [0,1,0,1,0,0|2,0,0]=4 1341 B11R1.25 CNC(=O)CCc1ccco1 11a_106832991635_100000185103 [0,1,0,1,0,0|2,0,0]=4 1342 B11R1.25 CNC(=O)CCc1ccco1 1626a_100102657272_100000185103 [0,1,0,1,0,0|2,0,0]=4 1343 B11R1.25 CNC(=O)CCc1ccco1 527a_100102657272_100000185103 [0,1,0,1,0,0|2,0,0]=4 1344 B11R1.25 CNC(=O)CCc1cccs1 11a_106832991635_100000185280 [0,1,0,1,0,0|2,0,0]=4 1345 B11R1.25 CNC(=O)CCc1cccs1 1626a_100102657272_100000185280 [0,1,0,1,0,0|2,0,0]=4 1346 B11R1.25 CNC(=O)CCc1cccs1 240690a_100102657272_100000185280 [0,1,0,1,0,0|2,0,0]=4 1347 B11R1.25 CNC(=O)CCc1cccs1 527a_100102657272_100000185280 [0,1,0,1,0,0|2,0,0]=4 1348 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100000764082_100102657272 [0,1,0,1,0,0|2,0,0]=4 1349 B11R1.25 CNC(=O)NCc1ccc[nH]1 273464a_100102657272_100000764082 [0,1,0,1,0,0|2,0,0]=4 1350 B11R1.25 CNC(=O)NCc1ccc[nH]1 512a_106832991638_100000764082 [0,1,0,1,0,0|2,0,0]=4 1351 B11R1.25 CNC(=O)NCc1ccco1 2708a_100000185738_106832991635 [0,1,0,1,0,0|2,0,0]=4 1352 B11R1.25 CNC(=O)NCc1ccco1 2708a_100102657272_100000185738 [0,1,0,1,0,0|2,0,0]=4 1353 B11R1.25 CNC(=O)NCc1ccco1 273464a_100000185738_100102657272 [0,1,0,1,0,0|2,0,0]=4 1354 B11R1.25 CNC(=O)NCc1ccco1 512a_100000185738_100102657272 [0,1,0,1,0,0|2,0,0]=4 1355 B11R1.25 CNC(=O)NCc1ccco1 512a_106832991638_100000185738 [0,1,0,1,0,0|2,0,0]=4 1356 B11R1.25 CNC(=O)NCc1cccs1 2708a_100000211653_106832991635 [0,1,0,1,0,0|2,0,0]=4 1357 B11R1.25 CNC(=O)NCc1cccs1 2708a_100102657272_100000211653 [0,1,0,1,0,0|2,0,0]=4 1358 B11R1.25 CNC(=O)NCc1cccs1 273464a_100000211653_100102657272 [0,1,0,1,0,0|2,0,0]=4 1359 B11R1.25 CNC(=O)NCc1cccs1 273464a_100102657272_100000211653 [0,1,0,1,0,0|2,0,0]=4 1360 B11R1.25 CNC(=O)NCc1cccs1 512a_100000211653_100102657272 [0,1,0,1,0,0|2,0,0]=4 1361 B11R1.25 CNC(=O)NCc1cccs1 512a_106832991638_100000211653 [0,1,0,1,0,0|2,0,0]=4 1362 B11R1.25 O=C(CF)CCc1ccc[nH]1 1458a_200011998680_100015361967 [0,1,0,1,0,0|2,0,0]=4 1363 B11R1.25 O=C(CF)CCc1ccco1 1458a_100000185103_100015361967 [0,1,0,1,0,0|2,0,0]=4 1364 B11R1.25 O=C(CF)CCc1cccs1 1458a_100000185280_100015361967 [0,1,0,1,0,0|2,0,0]=4 1365 B11R1.25 O=C(CO)CCc1cccs1 1458a_100000210174_100000748579 [0,1,0,1,0,0|2,0,0]=4 1366 B11R1.25 O=C(CO)NCc1ccc[nH]1 240690a_100000764082_100000210174 [0,1,0,1,0,0|2,0,0]=4 1367 B11R1.25 O=C(CO)NCc1ccc[nH]1 527a_100000764082_100000210174 [0,1,0,1,0,0|2,0,0]=4 1368 B11R1.25 O=C(CO)NCc1ccco1 240690a_100000185738_100000210174 [0,1,0,1,0,0|2,0,0]=4 1369 B11R1.25 O=C(CO)NCc1ccco1 527a_100000185738_100000210174 [0,1,0,1,0,0|2,0,0]=4 1370 B11R1.25 O=C(CO)NCc1cccs1 240690a_100000211653_100000210174 [0,1,0,1,0,0|2,0,0]=4 1371 B11R1.25 O=C(CO)NCc1cccs1 527a_100000211653_100000210174 [0,1,0,1,0,0|2,0,0]=4 1372 B11R1.47 C/C=C/C=C/COC1CCC1 34a_100016283227_100000749161 [0,1,0,1,0,0|1,0,1]=4 1373 B11R1.47 C/C=C/C=C/COC1COC1 34a_100016283227_100009818527 [0,1,0,1,0,0|0,0,2]=4 1374 B11R1.222 CCC(=O)c1ccccc1C 1458a_100000212026_100000210202 [0,1,0,1,0,0|1,0,1]=4 1375 B11R1.222 CNC(=O)c1ccccc1C 11a_106832991635_100000212026 [0,1,0,1,0,0|1,0,1]=4 1376 B11R1.222 CNC(=O)c1ccccc1C 1626a_100102657272_100000212026 [0,1,0,1,0,0|1,0,1]=4 1377 B11R1.222 CNC(=O)c1ccccc1C 240690a_100102657272_100000212026 [0,1,0,1,0,0|1,0,1]=4 1378 B11R1.222 CNC(=O)c1ccccc1C 527a_100102657272_100000212026 [0,1,0,1,0,0|1,0,1]=4 1379 B11R1.222 Cc1ccccc1C(=O)CF 1458a_100000212026_100015361967 [0,1,0,1,0,0|1,0,1]=4 1380 B11R1.35 CC(=O)N(C)Cc1ccco1 11a_100000185268_100015343762 [0,1,0,1,0,0|2,0,0]=4 1381 B11R1.35 CC(=O)N(C)Cc1ccco1 240690a_100000185268_100015343762 [0,1,0,1,0,0|2,0,0]=4 1382 B11R1.35 CC(=O)N(C)Cc1ccco1 527a_100000185268_100103153847 [0,1,0,1,0,0|2,0,0]=4 1383 B11R1.35 CC(=O)N(C)Cc1cccs1 11a_100000184426_100015343762 [0,1,0,1,0,0|2,0,0]=4 1384 B11R1.35 CC(=O)N(C)Cc1cccs1 240690a_100000184426_100015343762 [0,1,0,1,0,0|2,0,0]=4 1385 B11R1.35 CC(=O)N(C)Cc1cccs1 527a_100000184426_100103153847 [0,1,0,1,0,0|2,0,0]=4 1386 B11R1.167 CC(=O)c1cc(ccc1C)Br 1458a_100000759961_200000210301 [0,1,0,1,0,0|1,0,1]=4 1387 B11R1.167 CC(=O)c1cc(ccc1C)C 1458a_100000195421_200000210301 [0,1,0,1,0,0|1,0,1]=4 1388 B11R1.167 CC(=O)c1cc(ccc1C)Cl 1458a_100000692595_200000210301 [0,1,0,1,0,0|1,0,1]=4 1389 B11R1.167 CC(=O)c1cc(ccc1C)F 1458a_100000240043_200000210301 [0,1,0,1,0,0|1,0,1]=4 1390 B11R1.167 CC(=O)c1cc(ccc1C)I 1458a_100000688012_200000210301 [0,1,0,1,0,0|1,0,1]=4 1391 B11R1.167 CC(=O)c1cc(ccc1C)O 1458a_100000687834_200000210301 [0,1,0,1,0,0|1,0,1]=4 1392 B11R1.167 CC(=O)c1cc(ccc1C)O 271570a_203496583355_100012706819 [0,1,0,1,0,0|1,0,1]=4 1393 B11R1.167 Cc1ccc(c(c1)C(=O)[13CH3])C 1458a_100000195421_200025704644 [0,1,0,1,0,0|1,0,1]=4 1394 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Br 1458a_100000759961_200025704644 [0,1,0,1,0,0|1,0,1]=4 1395 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])Cl 1458a_100000692595_200025704644 [0,1,0,1,0,0|1,0,1]=4 1396 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])F 1458a_100000240043_200025704644 [0,1,0,1,0,0|1,0,1]=4 1397 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])I 1458a_100000688012_200025704644 [0,1,0,1,0,0|1,0,1]=4 1398 B11R1.167 Cc1ccc(cc1C(=O)[13CH3])O 1458a_100000687834_200025704644 [0,1,0,1,0,0|1,0,1]=4 1399 B11R1.287 C/C=C/CC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100102629194 [0,1,0,1,0,0|1,0,1]=4 1400 B11R1.287 CC=CCC(=O)[C@@H]1CC(=O)N1 1458a_100016090685_100000070051 [0,1,0,1,0,0|1,0,1]=4 1401 B11R1.495 CC(=O)Cn1c(ccc1C)C 1458a_100000238583_200000210301 [0,1,0,1,0,0|2,0,0]=4 1402 B11R1.495 Cc1ccc(n1CC(=O)[13CH3])C 1458a_100000238583_200025704644 [0,1,0,1,0,0|2,0,0]=4 1403 B11R1.178 C=C(C)c1ccsc1C(=O)C 271570a_100000694244_100000738688 [0,1,0,1,0,0|2,0,0]=4