0 B10R1.256 COc1c(nn(c1C)C)C 34a_100000760000_200000210301 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.256 COc1c(nn(c1C)C)C 7a_100000760000_200000210301 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.256 CSc1c(nn(c1C)C)C 62a_100011216884_200000210301 [0,0,0,0,0,0|3,1,0]=4 3 B10R1.256 CSc1c(nn(c1C)C)C 62a_200000210301_100011216884 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.256 CSc1c(nn(c1N)C)C 62a_100011540719_200000210301 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.256 CSc1c(nn(c1N)C)C 62a_200000210301_100011540719 [0,0,0,0,0,0|3,1,0]=4 6 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 34a_100000760000_200025704644 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.256 Cc1nn(c(c1O[13CH3])C)C 7a_100000760000_200025704644 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.256 Cc1nn(c(c1S[13CH3])C)C 62a_100011216884_200025704644 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.256 Cc1nn(c(c1S[13CH3])C)C 62a_200025704644_100011216884 [0,0,0,0,0,0|3,1,0]=4 10 B10R1.256 Cc1nn(c(c1S[13CH3])N)C 62a_100011540719_200025704644 [0,0,0,0,0,0|3,1,0]=4 11 B10R1.256 Cc1nn(c(c1S[13CH3])N)C 62a_200025704644_100011540719 [0,0,0,0,0,0|3,1,0]=4 12 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,0,0,0|1,0,2]=4 13 B9R1.22 COc1cc(nn1C)C 34a_100000738638_200000210301 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.22 CSc1cc(sc1C)C 62a_100000688054_200000210301 [1,0,0,0,0,0|0,2,1]=4 15 B9R1.22 CSc1cc(sc1C)C 62a_200000210301_100000688054 [1,0,0,0,0,0|0,2,1]=4 16 B9R1.22 CSc1cn(nc1C)C 62a_100011996311_200000210301 [1,0,0,0,0,0|2,1,0]=4 17 B9R1.22 CSc1cn(nc1C)C 62a_200000210301_100011996311 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_100000688054_200025704644 [1,0,0,0,0,0|0,2,1]=4 19 B9R1.22 Cc1cc(c(s1)C)S[13CH3] 62a_200025704644_100000688054 [1,0,0,0,0,0|0,2,1]=4 20 B9R1.22 Cc1cc(n(n1)C)O[13CH3] 34a_100000738638_200025704644 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_100011996311_200025704644 [1,0,0,0,0,0|2,1,0]=4 22 B9R1.22 Cc1nn(cc1S[13CH3])C 62a_200025704644_100011996311 [1,0,0,0,0,0|2,1,0]=4 23 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.27 COC1C(=O)COC1=O 34a_100138415774_100000032967 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.27 COc1c(n[nH]c1C)C 34a_100012186652_200000210301 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.27 CSC1C(=O)COC1=O 62a_200000210301_100000032967 [1,0,0,0,0,0|1,1,1]=4 27 B9R1.27 CSc1c(noc1C)C 62a_100000694658_200000210301 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.27 CSc1c(noc1C)C 62a_200000210301_100000694658 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.27 CSc1c(noc1C)N 62a_100011216220_200000210301 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.27 CSc1c(noc1C)N 62a_200000210301_100011216220 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.27 CSc1c(noc1C)O 62a_100010730664_200000210301 [1,0,0,0,0,0|1,1,1]=4 32 B9R1.27 CSc1c(noc1C)O 62a_200000210301_100010730664 [1,0,0,0,0,0|1,1,1]=4 33 B9R1.27 Cc1n[nH]c(c1O[13CH3])C 34a_100012186652_200025704644 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.27 Cc1noc(c1S[13CH3])C 62a_100000694658_200025704644 [1,0,0,0,0,0|2,1,0]=4 35 B9R1.27 Cc1noc(c1S[13CH3])C 62a_200025704644_100000694658 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.27 Cc1onc(c1S[13CH3])N 62a_100011216220_200025704644 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.27 Cc1onc(c1S[13CH3])N 62a_200025704644_100011216220 [1,0,0,0,0,0|2,1,0]=4 38 B9R1.27 Cc1onc(c1S[13CH3])O 62a_100010730664_200025704644 [1,0,0,0,0,0|1,1,1]=4 39 B9R1.27 Cc1onc(c1S[13CH3])O 62a_200025704644_100010730664 [1,0,0,0,0,0|1,1,1]=4 40 B9R1.27 [13CH3]SC1C(=O)COC1=O 62a_200025704644_100000032967 [1,0,0,0,0,0|1,1,1]=4 41 B9R1.37 Cc1nn(c(c1O)C)C 271570a_203496583355_100000239273 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.132 COc1noc(c1Br)C 34a_100010730664_200000210301 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.132 Cc1onc(c1Br)O[13CH3] 34a_100010730664_200025704644 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.598 CCOc1c(nn(c1C)C)C 34a_100000760000_100000210202 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.598 CCOc1c(nn(c1C)C)C 7a_100000760000_100000210202 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.598 COCc1c(nn(c1C)C)C 34a_100011266434_200000210301 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.598 COCc1c(nn(c1C)C)C 7a_100011266434_200000210301 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.598 COCc1c(nn(c1Cl)C)C 34a_100000757652_200000210301 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.598 COCc1c(nn(c1Cl)C)C 7a_100000757652_200000210301 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.598 Cc1nn(c(c1CO[13CH3])C)C 34a_100011266434_200025704644 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.598 Cc1nn(c(c1CO[13CH3])C)C 7a_100011266434_200025704644 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.598 Cc1nn(c(c1CO[13CH3])Cl)C 34a_100000757652_200025704644 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.598 Cc1nn(c(c1CO[13CH3])Cl)C 7a_100000757652_200025704644 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.598 Cc1nn(c(c1OCF)C)C 34a_100000760000_100015361967 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.598 Cc1nn(c(c1OCF)C)C 7a_100000760000_100015361967 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.29 CCC(=O)C(=C(C)C)C#N 1458a_100000137542_100000210202 [0,0,1,0,0,0|3,0,0]=4 57 B9R0.34 C=CC(C)OC(C)COC 34a_100000695699_100000765312 [0,0,1,0,0,0|1,0,2]=4 58 B9R0.35 CC=CC(=O)C(C)CCC 1458a_100000210699_100000766640 [0,0,1,0,0,0|2,0,1]=4 59 B9R0.35 CC=CC(=O)C(C)COC 1458a_100000210699_100000765312 [0,0,1,0,0,0|3,0,0]=4 60 B9R0.35 CCCC(=O)C(C)OCC 1458a_100000739345_100000210303 [0,0,1,0,0,0|1,0,2]=4 61 B9R0.35 CCCC(C)C(=O)COC 1458a_100000210968_100000766640 [0,0,1,0,0,0|1,0,2]=4 62 B9R0.35 CCNC(=O)C(C)OCC 11a_100015525214_100000739345 [0,0,1,0,0,0|2,0,1]=4 63 B9R0.35 CCNC(=O)C(C)OCC 240690a_100015525214_100000739345 [0,0,1,0,0,0|2,0,1]=4 64 B9R0.35 CCNC(=O)C(C)OCC 34a_100121572206_100000230173 [0,0,1,0,0,0|2,0,1]=4 65 B9R0.35 CCNC(=O)C(C)OCC 527a_100015525214_100000739345 [0,0,1,0,0,0|2,0,1]=4 66 B9R0.35 CCOC(=O)C(C)OCC 34a_100121572206_100011216346 [0,0,1,0,0,0|2,0,1]=4 67 B9R0.35 CCOC(=O)[C@H](C)OCC 7a_100000751109_100000210202 [0,0,1,0,0,0|2,0,1]=4 68 B9R0.35 CCOC(C)C(=O)NNC 22a_100016993582_100000739345 [0,0,1,0,0,0|2,0,1]=4 69 B9R0.35 COCC(=O)C(C)COC 1458a_100000210968_100000765312 [0,0,1,0,0,0|2,0,1]=4 70 B9R0.37 CCOC(=O)C(C=O)SC 62a_100000053139_200000210301 [0,0,1,0,0,0|1,1,1]=4 71 B9R0.37 CCOC(=O)C(C=O)SC 62a_200000210301_100000053139 [0,0,1,0,0,0|1,1,1]=4 72 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_100000053139_200025704644 [0,0,1,0,0,0|1,1,1]=4 73 B9R0.37 CCOC(=O)C(C=O)S[13CH3] 62a_200025704644_100000053139 [0,0,1,0,0,0|1,1,1]=4 74 B9R0.41 CCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100000210505 [0,0,1,0,0,0|1,0,2]=4 75 B9R0.41 CCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100000210505 [0,0,1,0,0,0|1,0,2]=4 76 B9R0.41 CCC(OC)C(=O)C(C)C 1458a_100000747056_100000210206 [0,0,1,0,0,0|1,0,2]=4 77 B9R0.41 CCN(CC)C(=O)[C@@H](C)O 240690a_100000724800_100000717761 [0,0,1,0,0,0|2,0,1]=4 78 B9R0.41 CCN(CC)C(=O)[C@H](C)O 1626a_100000724800_217856618621 [0,0,1,0,0,0|2,0,1]=4 79 B9R0.41 CCN(CC)C(=O)[C@H](C)O 240690a_100000724800_217856618621 [0,0,1,0,0,0|2,0,1]=4 80 B9R0.41 COC(OC)C(=O)C(C)C 1458a_100000046285_100000210206 [0,0,1,0,0,0|2,0,1]=4 81 B11R1.8 COc1cc(cc(c1Br)C)C 34a_100010342985_200000210301 [0,0,0,0,0,1|2,0,1]=4 82 B11R1.8 COc1cc(cc(c1Br)C)C 7a_100010342985_200000210301 [0,0,0,0,0,1|2,0,1]=4 83 B11R1.8 COc1cc(cc(c1C)C)C 34a_100000230004_200000210301 [0,0,0,0,0,1|2,0,1]=4 84 B11R1.8 COc1cc(cc(c1C)C)C 7a_100000230004_200000210301 [0,0,0,0,0,1|2,0,1]=4 85 B11R1.8 COc1cc(cc(c1Cl)C)C 34a_100000094344_200000210301 [0,0,0,0,0,1|2,0,1]=4 86 B11R1.8 COc1cc(cc(c1Cl)C)C 7a_100000094344_200000210301 [0,0,0,0,0,1|2,0,1]=4 87 B11R1.8 COc1nc(nc(c1C)C)C 34a_100000762955_200000210301 [0,0,0,0,0,1|2,0,1]=4 88 B11R1.8 CSc1cc(cn(c1=O)C)C 62a_100011068373_200000210301 [0,0,0,0,0,1|2,1,0]=4 89 B11R1.8 CSc1cc(cn(c1=O)C)C 62a_200000210301_100011068373 [0,0,0,0,0,1|2,1,0]=4 90 B11R1.8 Cc1cc(c(=O)n(c1)C)S[13CH3] 62a_100011068373_200025704644 [0,0,0,0,0,1|2,1,0]=4 91 B11R1.8 Cc1cc(c(=O)n(c1)C)S[13CH3] 62a_200025704644_100011068373 [0,0,0,0,0,1|2,1,0]=4 92 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 34a_100010342985_200025704644 [0,0,0,0,0,1|2,0,1]=4 93 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Br)C 7a_100010342985_200025704644 [0,0,0,0,0,1|2,0,1]=4 94 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 34a_100000230004_200025704644 [0,0,0,0,0,1|2,0,1]=4 95 B11R1.8 Cc1cc(c(c(c1)O[13CH3])C)C 7a_100000230004_200025704644 [0,0,0,0,0,1|2,0,1]=4 96 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 34a_100000094344_200025704644 [0,0,0,0,0,1|2,0,1]=4 97 B11R1.8 Cc1cc(c(c(c1)O[13CH3])Cl)C 7a_100000094344_200025704644 [0,0,0,0,0,1|2,0,1]=4 98 B11R1.8 Cc1nc(c(c(n1)O[13CH3])C)C 34a_100000762955_200025704644 [0,0,0,0,0,1|2,0,1]=4 99 B11R1.72 COc1c(ccc(c1C)C)C 34a_100000211305_200000210301 [0,0,0,0,0,1|2,0,1]=4 100 B11R1.72 COc1c(ccc(c1C)C)C 7a_100000211305_200000210301 [0,0,0,0,0,1|2,0,1]=4 101 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 34a_100000211305_200025704644 [0,0,0,0,0,1|2,0,1]=4 102 B11R1.72 Cc1ccc(c(c1C)O[13CH3])C 7a_100000211305_200025704644 [0,0,0,0,0,1|2,0,1]=4 103 B11R1.277 COc1cc(c(cc1C)C)C 34a_200000047129_200000210301 [0,0,0,0,0,1|2,0,1]=4 104 B11R1.277 COc1cc(c(cc1C)C)C 7a_200000047129_200000210301 [0,0,0,0,0,1|2,0,1]=4 105 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 34a_200000047129_200025704644 [0,0,0,0,0,1|2,0,1]=4 106 B11R1.277 Cc1cc(c(cc1C)O[13CH3])C 7a_200000047129_200025704644 [0,0,0,0,0,1|2,0,1]=4 107 B11R1.464 COc1c(cc(cc1Br)C)C 34a_100011934984_200000210301 [0,0,0,0,0,1|2,0,1]=4 108 B11R1.464 COc1c(cc(cc1Br)C)C 7a_100011934984_200000210301 [0,0,0,0,0,1|2,0,1]=4 109 B11R1.464 COc1c(cc(cc1C)C)C 34a_100000212074_200000210301 [0,0,0,0,0,1|2,0,1]=4 110 B11R1.464 COc1c(cc(cc1C)C)C 7a_100000212074_200000210301 [0,0,0,0,0,1|2,0,1]=4 111 B11R1.464 COc1c(cc(cc1N)C)C 34a_100011216242_200000210301 [0,0,0,0,0,1|2,0,1]=4 112 B11R1.464 COc1c(cc(cc1N)C)C 7a_100011216242_200000210301 [0,0,0,0,0,1|2,0,1]=4 113 B11R1.464 Cc1cc(c(c(c1)Br)O[13CH3])C 34a_100011934984_200025704644 [0,0,0,0,0,1|2,0,1]=4 114 B11R1.464 Cc1cc(c(c(c1)Br)O[13CH3])C 7a_100011934984_200025704644 [0,0,0,0,0,1|2,0,1]=4 115 B11R1.464 Cc1cc(c(c(c1)C)O[13CH3])C 34a_100000212074_200025704644 [0,0,0,0,0,1|2,0,1]=4 116 B11R1.464 Cc1cc(c(c(c1)C)O[13CH3])C 7a_100000212074_200025704644 [0,0,0,0,0,1|2,0,1]=4 117 B11R1.464 Cc1cc(c(c(c1)N)O[13CH3])C 34a_100011216242_200025704644 [0,0,0,0,0,1|2,0,1]=4 118 B11R1.464 Cc1cc(c(c(c1)N)O[13CH3])C 7a_100011216242_200025704644 [0,0,0,0,0,1|2,0,1]=4 119 B8R0.2 C/C=C(\C)/C(=O)C(C)C 1458a_100020587367_100000210206 [1,0,1,0,0,0|1,0,0]=3 120 B8R0.2 C/C=C(\C)/C(=O)N(C)C 11a_100102631434_100020587367 [1,0,1,0,0,0|2,0,0]=4 121 B8R0.2 C/C=C(\C)/C(=O)N(C)C 1626a_100102631434_100020587367 [1,0,1,0,0,0|2,0,0]=4 122 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000070787_100000742827 [1,0,1,0,0,0|0,0,2]=4 123 B8R0.2 CCC(=O)C(C)C(=O)C 1458a_100000210414_100000179758 [1,0,1,0,0,0|0,0,2]=4 124 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,0,1,0,0,0|0,0,2]=4 125 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,0,1,0,0,0|0,0,2]=4 126 B8R0.2 CCN(C)C(=O)[C@@H](C)O 240690a_100000225621_100000717761 [1,0,1,0,0,0|1,0,1]=4 127 B8R0.2 CCN(C)C(=O)[C@H](C)O 1626a_100000225621_217856618621 [1,0,1,0,0,0|1,0,1]=4 128 B8R0.2 CCN(C)C(=O)[C@H](C)O 240690a_100000225621_217856618621 [1,0,1,0,0,0|1,0,1]=4 129 B8R0.2 COC(C)C(=O)C(C)C 1458a_100000743197_100000210206 [1,0,1,0,0,0|1,0,1]=4 130 B8R0.20 CCC(=O)C(CC)OC 1458a_100000747056_100000210202 [1,0,1,0,0,0|0,0,2]=4 131 B8R0.20 CCC(=O)C(CC)OC 34a_200011218131_200000210301 [1,0,1,0,0,0|0,0,2]=4 132 B8R0.20 CCC(=O)C(CC)OC 7a_200011218131_200000210301 [1,0,1,0,0,0|0,0,2]=4 133 B8R0.20 CCC(=O)C(CC)O[13CH3] 34a_200011218131_200025704644 [1,0,1,0,0,0|0,0,2]=4 134 B8R0.20 CCC(=O)C(CC)O[13CH3] 7a_200011218131_200025704644 [1,0,1,0,0,0|0,0,2]=4 135 B8R0.20 CCC(=O)C(OC)OC 1458a_100000046285_100000210202 [1,0,1,0,0,0|1,0,1]=4 136 B8R0.20 COC(=O)C(C=O)OC 34a_100138415774_100000046368 [1,0,1,0,0,0|1,0,1]=4 137 B8R0.1 C/C=C/C(C)OCC=O 34a_200102604097_200009817547 [1,0,1,0,0,0|1,0,1]=4 138 B8R0.1 C/C=C/CC(=O)COC 1458a_100000210968_100102629194 [1,0,1,0,0,0|1,0,1]=4 139 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,0,1,0,0,0|2,0,0]=4 140 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,0,1,0,0,0|2,0,0]=4 141 B8R0.1 CC=CCC(=O)COC 1458a_100000210968_100000070051 [1,0,1,0,0,0|1,0,1]=4 142 B8R0.1 COC[C@@H](C)OCC=O 34a_100011934205_200009817547 [1,0,1,0,0,0|0,0,2]=4 143 B8R0.3 CC/C=C(\C)/C(=O)CC 1458a_100016988807_100000210202 [1,0,1,0,0,0|2,0,0]=4 144 B8R0.3 CC/C=C(\C)/C(=O)NC 11a_106832991635_100016988807 [1,0,1,0,0,0|2,0,0]=4 145 B8R0.3 CC/C=C(\C)/C(=O)NC 1626a_100102657272_100016988807 [1,0,1,0,0,0|2,0,0]=4 146 B8R0.3 CC/C=C(\C)/C(=O)NC 240690a_100102657272_100016988807 [1,0,1,0,0,0|2,0,0]=4 147 B8R0.3 CC/C=C(\C)/C(=O)NC 527a_100102657272_100016988807 [1,0,1,0,0,0|2,0,0]=4 148 B8R0.3 CC=CC(=O)C(C)CC 1458a_100000210699_100000758301 [1,0,1,0,0,0|1,0,1]=4 149 B8R0.3 CCC(C)C(=O)COC 1458a_100000210968_100000758301 [1,0,1,0,0,0|0,0,2]=4 150 B8R0.3 CCCC(=O)C(C)OC 1458a_100000743197_100000210303 [1,0,1,0,0,0|1,0,1]=4 151 B8R0.3 CCNC(=O)C(=O)OC 11a_100015525214_100000024059 [1,0,1,0,0,0|2,0,0]=4 152 B8R0.3 CCNC(=O)C(=O)OC 240690a_100015525214_100000024059 [1,0,1,0,0,0|2,0,0]=4 153 B8R0.3 CCNC(=O)C(=O)OC 527a_100015525214_100000024059 [1,0,1,0,0,0|2,0,0]=4 154 B8R0.3 CCNC(=O)C(C)OC 11a_100015525214_100000743197 [1,0,1,0,0,0|2,0,0]=4 155 B8R0.3 CCNC(=O)C(C)OC 240690a_100015525214_100000743197 [1,0,1,0,0,0|2,0,0]=4 156 B8R0.3 CCNC(=O)C(C)OC 34a_100138415774_100000230173 [1,0,1,0,0,0|2,0,0]=4 157 B8R0.3 CCNC(=O)C(C)OC 527a_100015525214_100000743197 [1,0,1,0,0,0|2,0,0]=4 158 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,0,1,0,0,0|1,0,1]=4 159 B8R0.3 CCOC(=O)C(=O)NC 11a_106832991635_100014798877 [1,0,1,0,0,0|2,0,0]=4 160 B8R0.3 CCOC(=O)C(=O)NC 1626a_100102657272_100014798877 [1,0,1,0,0,0|2,0,0]=4 161 B8R0.3 CCOC(=O)C(=O)NC 240690a_100102657272_100014798877 [1,0,1,0,0,0|2,0,0]=4 162 B8R0.3 CCOC(=O)C(C)OC 34a_100138415774_100011216346 [1,0,1,0,0,0|2,0,0]=4 163 B8R0.3 CCOC(=O)[C@H](C)OC 7a_100000751109_200000210301 [1,0,1,0,0,0|2,0,0]=4 164 B8R0.3 CCOC(=O)[C@H](C)O[13CH3] 7a_100000751109_200025704644 [1,0,1,0,0,0|2,0,0]=4 165 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,0,1,0,0,0|0,0,2]=4 166 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,0,1,0,0,0|1,0,1]=4 167 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,0,1,0,0,0|1,0,1]=4 168 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,0,1,0,0,0|1,0,1]=4 169 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,0,1,0,0,0|1,0,1]=4 170 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,0,1,0,0,0|1,0,1]=4 171 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,0,1,0,0,0|0,0,1]=3 172 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,0,1,0,0,0|0,0,1]=3 173 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,0,1,0,0,0|0,1,1]=4 174 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,0,1,0,0,0|0,1,1]=4 175 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,0,1,0,0,0|2,0,0]=4 176 B8R0.3 CNNC(=O)C(C)OC 22a_100016993582_100000743197 [1,0,1,0,0,0|2,0,0]=4 177 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,0,1,0,0,0|2,0,0]=4 178 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,0,1,0,0,0|2,0,0]=4 179 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,0,1,0,0,0|2,0,0]=4 180 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,0,1,0,0,0|2,0,0]=4 181 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,0,1,0,0,0|2,0,0]=4 182 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,0,1,0,0,0|2,0,0]=4 183 B8R0.3 COC(=O)C(C)OCF 34a_100011215400_100015361967 [1,0,1,0,0,0|1,0,1]=4 184 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,0,1,0,0,0|2,0,0]=4 185 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,0,1,0,0,0|2,0,0]=4 186 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,0,1,0,0,0|2,0,0]=4 187 B8R1.1 COc1cnn(c1)C 34a_100000707646_200000210301 [2,0,0,0,0,0|2,0,0]=4 188 B8R1.1 Cn1cc(cn1)O[13CH3] 34a_100000707646_200025704644 [2,0,0,0,0,0|2,0,0]=4 189 B8R1.11 CSc1cnoc1C 62a_100009872056_200000210301 [2,0,0,0,0,0|1,1,0]=4 190 B8R1.11 CSc1cnoc1C 62a_200000210301_100009872056 [2,0,0,0,0,0|1,1,0]=4 191 B8R1.11 Cc1oncc1S[13CH3] 62a_100009872056_200025704644 [2,0,0,0,0,0|1,1,0]=4 192 B8R1.11 Cc1oncc1S[13CH3] 62a_200025704644_100009872056 [2,0,0,0,0,0|1,1,0]=4 193 B8R1.18 Cc1cc(c(s1)C)O 271570a_203496583355_100000688054 [2,0,0,0,0,0|0,1,1]=4 194 B8R1.18 Cc1nn(cc1O)C 271570a_203496583355_100011996311 [2,0,0,0,0,0|2,0,0]=4 195 B8R1.50 Cc1[nH][nH]c(=O)c1O 271570a_203496583355_100000686169 [2,0,0,0,0,0|2,0,0]=4 196 B8R1.50 Cc1noc(c1O)C 271570a_203496583355_100000694658 [2,0,0,0,0,0|2,0,0]=4 197 B8R1.50 Cc1onc(c1O)N 271570a_203496583355_100011216220 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.50 Cc1onc(c1O)O 271570a_203496583355_100010730664 [2,0,0,0,0,0|1,0,1]=4 199 B10R0.101 CCOC(=O)C(OC)C(=O)C 34a_100138415774_100009831564 [0,1,1,0,0,0|0,0,2]=4 200 B10R0.26 C/C=C/C(C)OC(C)C(=O)N 34a_200102604097_100000702099 [0,1,1,0,0,0|1,0,1]=4 201 B10R0.26 COCC(C)OC(C)C(=O)C 34a_100000212229_100000765312 [0,1,1,0,0,0|0,0,2]=4 202 B10R0.26 COCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000765312 [0,1,1,0,0,0|0,0,2]=4 203 B10R0.26 COCC(C)O[C@H](C)C(=O)N 34a_100000731257_100000765312 [0,1,1,0,0,0|0,0,2]=4 204 B10R0.26 COCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000765312 [0,1,1,0,0,0|0,0,2]=4 205 B10R0.26 COC[C@@H](C)OC(C)C(=O)N 34a_100011934205_100000702099 [0,1,1,0,0,0|0,0,2]=4 206 B10R0.46 C=CC(C)OC(C)C(=O)OC 34a_100000695699_100000211248 [0,1,1,0,0,0|1,0,1]=4 207 B10R0.19 C/C=C/CC(=O)C(C)OCC 1458a_100000739345_100102629194 [0,1,1,0,0,0|1,0,1]=4 208 B10R0.19 CC=CCC(=O)C(C)OCC 1458a_100000739345_100000070051 [0,1,1,0,0,0|1,0,1]=4 209 B10R0.19 CCCC(C)C(=O)C=COC 1458a_100016268678_100000766640 [0,1,1,0,0,0|1,0,1]=4 210 B10R0.19 CCOC(C)C(=O)CCOC 1458a_100000739345_100000233755 [0,1,1,0,0,0|0,0,2]=4 211 B10R0.19 COC=CC(=O)C(C)COC 1458a_100016268678_100000765312 [0,1,1,0,0,0|2,0,0]=4 212 B10R0.32 CC#CC(=O)C(C)OC(=O)C 1458a_100000763181_100009818208 [0,1,1,0,0,0|1,0,1]=4 213 B10R0.32 CC(=O)OC(C)C(=O)C=CBr 1458a_100016273825_100009818208 [0,1,1,0,0,0|2,0,0]=4 214 B10R0.32 CC(=O)OC(C)C(=O)C=CCl 1458a_200016279998_100009818208 [0,1,1,0,0,0|2,0,0]=4 215 B10R0.32 CC(=O)OC(C)C(=O)C=CI 1458a_100016256311_100009818208 [0,1,1,0,0,0|2,0,0]=4 216 B10R0.32 CC=CC(=O)C(C)OC(=O)C 1458a_100000210699_100009818208 [0,1,1,0,0,0|1,0,0]=3 217 B10R0.32 CCCC(=O)C(C)OC(=O)C 1458a_100000211992_100009818208 [0,1,1,0,0,0|1,0,1]=4 218 B10R0.32 CCCC(=O)[C@H](C)OC(=O)C 1458a_100009816467_100000210303 [0,1,1,0,0,0|1,0,1]=4 219 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 11a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 220 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 240690a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 221 B10R0.32 CCNC(=O)[C@H](C)OC(=O)C 527a_100015525214_100009816467 [0,1,1,0,0,0|2,0,0]=4 222 B10R0.32 COCC(=O)C(C)OC(=O)C 1458a_100000210968_100009818208 [0,1,1,0,0,0|0,0,1]=3 223 B10R0.32 CSCC(=O)C(C)OC(=O)C 1458a_100000184570_100009818208 [0,1,1,0,0,0|0,1,1]=4 224 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [1,1,0,0,0,0|0,0,1]=3 225 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [1,1,0,0,0,0|0,0,1]=3 226 B10R1.130 COCc1cn(nc1C)C 34a_100138415774_100015186178 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.130 COCc1nc(oc1C)C 34a_100000068805_200000210301 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.130 COCc1nc(oc1C)C 7a_100000068805_200000210301 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [1,1,0,0,0,0|0,0,1]=3 230 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [1,1,0,0,0,0|0,0,1]=3 231 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 34a_100000068805_200025704644 [1,1,0,0,0,0|1,0,1]=4 232 B10R1.130 Cc1nc(c(o1)C)CO[13CH3] 7a_100000068805_200025704644 [1,1,0,0,0,0|1,0,1]=4 233 B10R1.187 CCOC1C(=O)COC1=O 34a_100121572206_100000032967 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.187 COCc1c(noc1C)C 34a_100011219351_200000210301 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.187 COCc1c(noc1C)C 34a_100138415774_100000184612 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.187 Cc1noc(c1CO[13CH3])C 34a_100011219351_200025704644 [1,1,0,0,0,0|2,0,0]=4 237 B12R1.1624 COCCc1c([nH]n(c1=O)C)C 34a_100000067163_200000210301 [0,2,0,0,0,0|2,0,0]=4 238 B12R1.1624 Cc1[nH]n(c(=O)c1CCO[13CH3])C 34a_100000067163_200025704644 [0,2,0,0,0,0|2,0,0]=4 239 B10R1.245 COc1c(occc1=O)C 34a_100000031901_200000210301 [0,0,1,1,0,0|0,0,2]=4 240 B10R1.245 Cc1occc(=O)c1O[13CH3] 34a_100000031901_200025704644 [0,0,1,1,0,0|0,0,2]=4 241 B10R1.23 CC(C)C(=O)C1=CCCC1 1458a_100000038896_100000210206 [0,0,1,1,0,0|2,0,0]=4 242 B10R0.72 COC(CC(=O)[C@@H](C)O)OC 1458a_100000717761_100000751394 [0,0,1,0,0,1|1,0,1]=4 243 B10R0.72 COC(CC(=O)[C@H](C)O)OC 1458a_217856618621_100000751394 [0,0,1,0,0,1|1,0,1]=4 244 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [1,0,0,0,0,1|1,0,1]=4 245 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [1,0,0,0,0,1|1,0,1]=4 246 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [1,0,0,0,0,1|1,0,1]=4 247 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [1,0,0,0,0,1|1,0,1]=4