0 B11R1.80 CC(=Cc1nc(c(s1)C)C)C 271570a_100102525489_100000765934 [0,0,0,0,0,0|0,0,4]=4 1 B11R1.80 CC(=O)Cc1nc(c(s1)C)C 1458a_100000070787_100000763442 [0,0,0,0,0,0|1,0,3]=4 2 B11R1.80 Cc1cc(sc1C)CN(C)C 270004a_100102631434_100011830369 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.80 Cc1cc(sc1C)SC(C)C 62a_100000210206_100009850898 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.80 Cc1cc(sc1C)SC(C)C 62a_100009850898_100000210206 [0,0,0,0,0,0|2,0,2]=4 5 B11R1.80 Cc1nc(cn1C)SC(C)C 62a_100000210206_100000684932 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.80 Cc1nc(cn1C)SC(C)C 62a_100000684932_100000210206 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.80 Cc1nc(sc1C)CN(C)C 2230a_100102631434_100012347604 [0,0,0,0,0,0|1,0,2]=3 8 B11R1.80 Cc1nc(sc1C)CN(C)C 269982a_100102631434_100012347604 [0,0,0,0,0,0|1,0,2]=3 9 B11R1.80 Cc1nc(sc1C)CN(C)C 270004a_100102631434_100011775437 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.80 Cc1nc(sc1C)NC(C)C 27a_100138425928_100000765934 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000210206_100000765934 [0,0,0,0,0,0|1,0,2]=3 12 B11R1.80 Cc1nc(sc1C)SC(C)C 62a_100000765934_100000210206 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.54 Cc1cnc(s1)CN(C)C 270004a_100102631434_100011361622 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000210206_100000690809 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.54 Cc1cnc(s1)SC(C)C 62a_100000690809_100000210206 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.54 Cc1csc(n1)CN(C)C 2230a_100000757614_200000210301 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.54 Cc1csc(n1)CN(C)C 269982a_100000757614_200000210301 [1,0,0,0,0,0|1,0,2]=4 18 B10R1.54 Cc1csc(n1)CN(C)C 270004a_100102631434_100000756994 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 2230a_100000757614_200025704644 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.54 Cc1csc(n1)CN(C)[13CH3] 269982a_100000757614_200025704644 [1,0,0,0,0,0|1,0,2]=4 21 B10R1.54 Cc1csc(n1)SC(C)C 62a_100000210206_100011291629 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.54 Cc1csc(n1)SC(C)C 62a_100011291629_100000210206 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.54 Cc1nc(no1)CC(C)C 270196a_100000210173_100000070787 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.54 Cc1noc(n1)CC(C)C 270196a_100000212224_100000210554 [1,0,0,0,0,0|1,1,1]=4 25 B10R1.54 Cc1nsc(n1)NC(C)C 27a_100138425928_100000709739 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.54 Cc1nsc(n1)SC(C)C 62a_100000210206_100000709739 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.54 Cc1nsc(n1)SC(C)C 62a_100000709739_100000210206 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.131 CCNc1nc(c(s1)C)C 27a_100015525214_100000765934 [1,0,0,0,0,0|1,0,2]=4 29 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000210202_100000765934 [1,0,0,0,0,0|1,0,2]=4 30 B10R1.131 CCSc1nc(c(s1)C)C 62a_100000765934_100000210202 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.131 CNCc1nc(c(s1)C)C 207a_100102657272_100011775437 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.131 CNCc1nc(c(s1)C)C 2230a_106832991635_100012347604 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.131 CNCc1nc(c(s1)C)C 270004a_106832991635_100011775437 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.131 CNCc1nc(c(s1)C)C 34a_100102657272_100012347604 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.131 CNCc1nc(c(s1)C)C 7a_106832991635_100012347604 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.131 COCc1nc(c(s1)C)C 34a_100138415774_100012347604 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.131 COCc1nc(c(s1)C)C 7a_100000760949_200000210301 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.131 CSCc1nc(c(s1)C)C 62a_100000763442_200000210301 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.131 CSCc1nc(c(s1)C)C 62a_200000210301_100012347604 [1,0,0,0,0,0|1,0,2]=4 40 B10R1.131 Cc1nc(sc1C)CO[13CH3] 7a_100000760949_200025704644 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_100000763442_200025704644 [1,0,0,0,0,0|1,0,2]=4 42 B10R1.131 Cc1nc(sc1C)CS[13CH3] 62a_200025704644_100012347604 [1,0,0,0,0,0|1,0,2]=4 43 B12R1.66 Cc1nc(sc1CO)SC(C)C 62a_100000210206_100010264302 [0,1,0,0,0,0|1,0,2]=4 44 B12R1.66 Cc1nc(sc1CO)SC(C)C 62a_100010264302_100000210206 [0,1,0,0,0,0|1,0,2]=4 45 B12R1.66 Cc1sc(nc1CO)SC(C)C 62a_100000210206_100010127906 [0,1,0,0,0,0|1,0,2]=4 46 B12R1.66 Cc1sc(nc1CO)SC(C)C 62a_100010127906_100000210206 [0,1,0,0,0,0|1,0,2]=4 47 B12R1.109 Cc1nc(sc1C)N(C)C(C)C 27a_200000211004_100000765934 [0,1,0,0,0,0|1,0,2]=4 48 B12R1.533 CCC(C)Sc1nc(c(s1)C)C 62a_100000758301_100000765934 [0,1,0,0,0,0|1,0,2]=4 49 B12R1.533 CCC(C)Sc1nc(c(s1)C)C 62a_100000765934_100000758301 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.533 CCN(C)Cc1nc(c(s1)C)C 2230a_100000225621_100012347604 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.533 CCN(C)Cc1nc(c(s1)C)C 269982a_100000225621_100012347604 [0,1,0,0,0,0|1,0,2]=4 52 B12R1.533 COC(C)Sc1nc(c(s1)C)C 62a_100000765934_100009879195 [0,1,0,0,0,0|1,0,2]=4 53 B12R1.533 COC(C)Sc1nc(c(s1)C)C 62a_100009879195_100000765934 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.533 Cc1nc(sc1C)N[C@H](C)CF 27a_100102880703_100000765934 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.533 Cc1nc(sc1C)N[C@H](C)CO 27a_100000737577_100000765934 [0,1,0,0,0,0|1,0,2]=4 56 B12R1.533 Cc1nc(sc1C)SC(C)CO 62a_100012180447_100000765934 [0,1,0,0,0,0|1,0,2]=4 57 B12R1.533 Cc1nc(sc1C)S[C@H](C)CO 62a_100000765934_100016084084 [0,1,0,0,0,0|1,0,2]=4 58 B12R1.533 Cc1nc(sc1C)S[C@H](C)CO 62a_100016084084_100000765934 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.847 Cc1nc(sc1C)SC(C)(C)C 62a_100000211941_100000765934 [0,1,0,0,0,0|1,0,2]=4 60 B12R1.847 Cc1nc(sc1C)SC(C)(C)C 62a_100000765934_100000211941 [0,1,0,0,0,0|1,0,2]=4 61 B10R0.44 C#CC(C)SC(C)CC(C)C 62a_200000035995_100000731052 [0,0,1,0,0,0|1,0,2]=4 62 B10R0.44 C=CC(C)OC(C)CC(C)C 34a_100000695699_100000731052 [0,0,1,0,0,0|1,1,1]=4 63 B10R0.44 C=CC(C)SC(C)CC(C)C 62a_100011215867_100000731052 [0,0,1,0,0,0|1,0,1]=3 64 B10R0.44 C=CC(C)SC(C)CN(C)C 62a_100011215867_100020606517 [0,0,1,0,0,0|2,0,1]=4 65 B10R0.44 CC(C)CC(C)SC(C)C#N 62a_100000703298_100000731052 [0,0,1,0,0,0|2,0,1]=4 66 B10R0.44 CC(C)CC(C)SC(C)C#N 62a_100000731052_100000703298 [0,0,1,0,0,0|2,0,1]=4 67 B10R0.44 CC(C)CC(C)SC(C)CO 62a_100012180447_100000731052 [0,0,1,0,0,0|2,0,1]=4 68 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100000731052_100016084084 [0,0,1,0,0,0|2,0,1]=4 69 B10R0.44 CC(C)CC(C)S[C@H](C)CO 62a_100016084084_100000731052 [0,0,1,0,0,0|2,0,1]=4 70 B10R0.44 CCC(=CC(=O)CC(C)C)C 1458a_100020758463_100000210624 [0,0,1,0,0,0|1,1,1]=4 71 B10R0.44 CCC(=O)NC(C)CC(C)C 11a_100000692259_100000210414 [0,0,1,0,0,0|2,0,1]=4 72 B10R0.44 CCC(=O)NC(C)CC(C)C 1626a_100000692259_100000210414 [0,0,1,0,0,0|2,0,1]=4 73 B10R0.44 CCC(=O)NC(C)CC(C)C 240690a_100000692259_100000210414 [0,0,1,0,0,0|2,0,1]=4 74 B10R0.44 CCC(=O)NC(C)CC(C)C 527a_100000692259_100000210414 [0,0,1,0,0,0|2,0,1]=4 75 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000209981_100000731052 [0,0,1,0,0,0|1,0,2]=4 76 B10R0.44 CCC(C)NC(C)CC(C)C 2230a_100000692259_100000758301 [0,0,1,0,0,0|1,0,2]=4 77 B10R0.44 CCC(C)OC(C)CC(C)C 34a_100000211805_100011215416 [0,0,1,0,0,0|1,1,1]=4 78 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000210228_100000731052 [0,0,1,0,0,0|1,1,1]=4 79 B10R0.44 CCC(C)OC(C)CC(C)C 7a_100000211805_100000758301 [0,0,1,0,0,0|1,1,1]=4 80 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000731052_100000758301 [0,0,1,0,0,0|1,0,1]=3 81 B10R0.44 CCC(C)SC(C)CC(C)C 62a_100000758301_100000731052 [0,0,1,0,0,0|1,0,1]=3 82 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100000758301_100020606517 [0,0,1,0,0,0|2,0,1]=4 83 B10R0.44 CCC(C)SC(C)CN(C)C 62a_100020606517_100000758301 [0,0,1,0,0,0|2,0,1]=4 84 B10R0.44 COC(C)SC(C)CC(C)C 62a_100000731052_100009879195 [0,0,1,0,0,0|2,0,0]=3 85 B10R0.44 COC(C)SC(C)CC(C)C 62a_100009879195_100000731052 [0,0,1,0,0,0|2,0,0]=3 86 B10R0.44 COC(C)SC(C)CN(C)C 62a_100009879195_100020606517 [0,0,1,0,0,0|3,0,0]=4 87 B10R0.44 COC(C)SC(C)CN(C)C 62a_100020606517_100009879195 [0,0,1,0,0,0|3,0,0]=4 88 B10R0.79 C/C=C/C(CCC)OC(C)C 34a_200016264281_100000210206 [0,0,1,0,0,0|3,0,0]=4 89 B10R0.79 C/C=C/C(CCC)OC(C)C 7a_200016264281_100000210206 [0,0,1,0,0,0|3,0,0]=4 90 B10R0.79 CC=CC(CC(C)C)OCC 34a_100020643927_100000210202 [0,0,1,0,0,0|1,1,0]=3 91 B10R0.79 CC=CC(CC(C)C)OCC 7a_100020643927_100000210202 [0,0,1,0,0,0|1,1,0]=3 92 B10R0.79 CC=CC(CC(C)C)OCF 34a_100020643927_100015361967 [0,0,1,0,0,0|2,1,0]=4 93 B10R0.79 CC=CC(CC(C)C)OCF 7a_100020643927_100015361967 [0,0,1,0,0,0|2,1,0]=4 94 B10R0.79 CCCC(CC(C)C)OCC 34a_100011351045_100000210202 [0,0,1,0,0,0|1,1,1]=4 95 B10R0.79 CCCC(CC(C)C)OCC 7a_100011351045_100000210202 [0,0,1,0,0,0|1,1,1]=4 96 B10R0.98 C=C(C)C(C)NCCC(C)C 269862a_100000210545_100011216138 [0,0,1,0,0,0|2,0,0]=3 97 B10R0.98 C=C(C)C(C)NCCC(C)O 269862a_200000755665_100011216138 [0,0,1,0,0,0|3,0,0]=4 98 B10R0.98 C=C(C)C(C)NCCN(C)C 269862a_100000210585_100011216138 [0,0,1,0,0,0|3,0,0]=4 99 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100000730704_100009814033 [0,0,1,0,0,0|1,0,2]=4 100 B10R0.98 C=C(C)CCSC(C)C(=O)C 62a_100009814033_100000730704 [0,0,1,0,0,0|1,0,2]=4 101 B10R0.98 CC(=NNCC(C)O)C(C)C 4a_200000730056_100000211110 [0,0,1,0,0,0|3,0,0]=4 102 B10R0.98 CC(=NNCC(C)O)C(C)O 4a_200000730056_100000212229 [0,0,1,0,0,0|2,1,0]=4 103 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,0,1,0,0,0|3,0,0]=4 104 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,0,1,0,0,0|3,0,0]=4 105 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,0,1,0,0,0|3,0,0]=4 106 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,0,1,0,0,0|1,1,0]=3 107 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,0,1,0,0,0|1,1,0]=3 108 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,0,1,0,0,0|2,1,0]=4 109 B10R0.98 CC(=O)C(C)OCOC(C)C 34a_100000212229_100000709892 [0,0,1,0,0,0|2,1,0]=4 110 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,0,1,0,0,0|1,0,2]=4 111 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,0,1,0,0,0|1,0,2]=4 112 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,0,1,0,0,0|1,0,0]=2 113 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,0,1,0,0,0|1,0,0]=2 114 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,0,1,0,0,0|2,0,0]=3 115 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,0,1,0,0,0|2,0,0]=3 116 B10R0.98 CC(=O)C(C)SCCN(C)C 62a_100009814033_100000755713 [0,0,1,0,0,0|2,0,0]=3 117 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100000709892_100009814033 [0,0,1,0,0,0|2,0,0]=3 118 B10R0.98 CC(=O)C(C)SCOC(C)C 62a_100009814033_100000709892 [0,0,1,0,0,0|2,0,0]=3 119 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100000053229_100009814033 [0,0,1,0,0,0|2,0,1]=4 120 B10R0.98 CC(=O)CCSC(C)C(=O)C 62a_100009814033_100000053229 [0,0,1,0,0,0|2,0,1]=4 121 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,0,1,0,0,0|3,0,0]=4 122 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,0,1,0,0,0|3,0,0]=4 123 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,0,1,0,0,0|3,0,0]=4 124 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,0,1,0,0,0|2,1,0]=4 125 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,0,1,0,0,0|2,1,0]=4 126 B10R0.98 CC(C)CCCC(C)N(C)C 270004a_100102631434_100000753411 [0,0,1,0,0,0|3,0,0]=4 127 B10R0.98 CC(C)CCCN(C)C(C)C 269982a_200000211004_100011214892 [0,0,1,0,0,0|3,0,0]=4 128 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,0,1,0,0,0|2,0,1]=4 129 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,0,1,0,0,0|2,0,1]=4 130 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,0,1,0,0,0|2,0,1]=4 131 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,0,1,0,0,0|2,0,1]=4 132 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,0,1,0,0,0|2,0,1]=4 133 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,0,1,0,0,0|2,0,1]=4 134 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,0,1,0,0,0|2,0,1]=4 135 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,0,1,0,0,0|2,0,1]=4 136 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,0,1,0,0,0|1,1,1]=4 137 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,0,1,0,0,0|1,1,1]=4 138 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,0,1,0,0,0|1,1,1]=4 139 B10R0.98 CC(C)CCNC(C)C(C)C 2230a_100000211541_100000210312 [0,0,1,0,0,0|1,0,2]=4 140 B10R0.98 CC(C)CCNC(C)C(C)C 269862a_100000211541_100000185833 [0,0,1,0,0,0|1,0,2]=4 141 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,1,0,0,0|3,0,0]=4 142 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 2230a_100000119354_100000210312 [0,0,1,0,0,0|2,0,1]=4 143 B10R0.98 CC(C)CCN[C@H](C)C(=O)N 34a_100000119354_100000210312 [0,0,1,0,0,0|2,0,1]=4 144 B10R0.98 CC(C)CCOC(C)C(=O)N 34a_100000210254_100000702099 [0,0,1,0,0,0|1,1,1]=4 145 B10R0.98 CC(C)CCOC(C)C(=O)N 7a_100000210254_100000702099 [0,0,1,0,0,0|1,1,1]=4 146 B10R0.98 CC(C)CCOC(C)C(C)C 7a_100000748068_100000210626 [0,0,1,0,0,0|1,1,1]=4 147 B10R0.98 CC(C)CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210626 [0,0,1,0,0,0|2,1,0]=4 148 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 34a_100000731257_100000210312 [0,0,1,0,0,0|1,1,1]=4 149 B10R0.98 CC(C)CCO[C@H](C)C(=O)N 7a_100000731257_100000210626 [0,0,1,0,0,0|1,1,1]=4 150 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000210312_100000702099 [0,0,1,0,0,0|1,0,1]=3 151 B10R0.98 CC(C)CCSC(C)C(=O)N 62a_100000702099_100000210312 [0,0,1,0,0,0|1,0,1]=3 152 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100000210312_100009813875 [0,0,1,0,0,0|2,0,1]=4 153 B10R0.98 CC(C)CCSC(F)C(=O)N 62a_100009813875_100000210312 [0,0,1,0,0,0|2,0,1]=4 154 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100000210312_100020610796 [0,0,1,0,0,0|3,0,0]=4 155 B10R0.98 CC(C)CCSC(F)C(=O)[O-] 62a_100020610796_100000210312 [0,0,1,0,0,0|3,0,0]=4 156 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000702099_100000709892 [0,0,1,0,0,0|2,0,1]=4 157 B10R0.98 CC(C)OCSC(C)C(=O)N 62a_100000709892_100000702099 [0,0,1,0,0,0|2,0,1]=4 158 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100000702099_100012276601 [0,0,1,0,0,0|2,0,1]=4 159 B10R0.98 CC(O)CCSC(C)C(=O)N 62a_100012276601_100000702099 [0,0,1,0,0,0|2,0,1]=4 160 B10R0.98 CC(SCCN(C)C)C(=O)N 62a_100000702099_100000755713 [0,0,1,0,0,0|2,0,1]=4 161 B12R2.2309 Cc1nc(sc1C)NC2CC2 27a_100000212008_100000765934 [0,0,0,1,0,0|1,0,2]=4 162 B12R2.2309 Cc1nc(sc1C)SC2CC2 62a_100000765934_100000211595 [0,0,0,1,0,0|1,0,2]=4 163 B10R1.58 Cc1nc(sc1C)N(C)C 27a_100102631434_100000765934 [0,0,0,0,1,0|1,0,2]=4 164 B12R1.110 Cc1cc(sc1C)CNC(C)C 207a_100138425928_100011830369 [0,0,0,0,0,1|1,0,2]=4 165 B12R1.110 Cc1cc(sc1C)SCC(C)C 62a_100000210624_100009850898 [0,0,0,0,0,1|1,0,2]=4 166 B12R1.110 Cc1cc(sc1C)SCC(C)C 62a_100009850898_100000210760 [0,0,0,0,0,1|1,0,2]=4 167 B12R1.110 Cc1nc(cn1C)SCC(C)C 62a_100000210624_100000684932 [0,0,0,0,0,1|2,0,1]=4 168 B12R1.110 Cc1nc(cn1C)SCC(C)C 62a_100000684932_100000210760 [0,0,0,0,0,1|2,0,1]=4 169 B12R1.110 Cc1nc(sc1C)C=CC(C)C 271570a_100016257149_100000765934 [0,0,0,0,0,1|0,0,3]=4 170 B12R1.110 Cc1nc(sc1C)CNC(C)C 207a_100138425928_100011775437 [0,0,0,0,0,1|0,0,2]=3 171 B12R1.110 Cc1nc(sc1C)CNC(C)C 2230a_100138425928_100012347604 [0,0,0,0,0,1|0,0,2]=3 172 B12R1.110 Cc1nc(sc1C)CNC(C)C 34a_100138425928_100012347604 [0,0,0,0,0,1|0,0,2]=3 173 B12R1.110 Cc1nc(sc1C)COC(C)C 34a_100000212225_100012347604 [0,0,0,0,0,1|0,0,2]=3 174 B12R1.110 Cc1nc(sc1C)COC(C)C 7a_100000760949_100000210206 [0,0,0,0,0,1|0,0,2]=3 175 B12R1.110 Cc1nc(sc1C)CSC(C)C 62a_100000210206_100012347604 [0,0,0,0,0,1|0,0,2]=3 176 B12R1.110 Cc1nc(sc1C)CSC(C)C 62a_100000763442_100000210206 [0,0,0,0,0,1|0,0,2]=3 177 B12R1.110 Cc1nc(sc1C)NCC(C)C 27a_100000210953_100000765934 [0,0,0,0,0,1|0,0,2]=3 178 B12R1.110 Cc1nc(sc1C)NCC(C)O 27a_100000210904_100000765934 [0,0,0,0,0,1|1,0,2]=4 179 B12R1.110 Cc1nc(sc1C)SCC(C)C 62a_100000210624_100000765934 [0,0,0,0,0,1|0,0,2]=3 180 B12R1.110 Cc1nc(sc1C)SCC(C)C 62a_100000765934_100000210760 [0,0,0,0,0,1|0,0,2]=3 181 B12R1.110 Cc1nc(sc1C)SCC(C)O 62a_100000765934_100011218427 [0,0,0,0,0,1|1,0,2]=4 182 B12R1.110 Cc1nc(sc1C)SCC(C)O 62a_100011218427_100000765934 [0,0,0,0,0,1|1,0,2]=4 183 B12R1.110 Cc1nc(sc1C)SC[C@@H](C)O 62a_100000765934_100009817552 [0,0,0,0,0,1|1,0,2]=4 184 B12R1.110 Cc1nc(sc1C)SC[C@@H](C)O 62a_100009817552_100000765934 [0,0,0,0,0,1|1,0,2]=4 185 B9R0.1 C#CC(C)SCCC(C)C 62a_200000035995_100000210312 [1,0,1,0,0,0|0,0,2]=4 186 B9R0.1 C=CC(C)OCCC(C)C 34a_100000695699_100000210312 [1,0,1,0,0,0|0,1,1]=4 187 B9R0.1 C=CC(C)SCCC(C)C 62a_100011215867_100000210312 [1,0,1,0,0,0|0,0,1]=3 188 B9R0.1 C=CC(C)SCCC(C)O 62a_100011215867_100012276601 [1,0,1,0,0,0|1,0,1]=4 189 B9R0.1 C=CC(C)SCCN(C)C 62a_100011215867_100000755713 [1,0,1,0,0,0|1,0,1]=4 190 B9R0.1 C=CC(C)SCOC(C)C 62a_100011215867_100000709892 [1,0,1,0,0,0|1,0,1]=4 191 B9R0.1 CC(C)CCCC(C)N[13CH3] 2230a_100000210607_200025704644 [1,0,1,0,0,0|2,0,0]=4 192 B9R0.1 CC(C)CCCC(C)O[13CH3] 34a_200011218570_200025704644 [1,0,1,0,0,0|2,0,0]=4 193 B9R0.1 CC(C)CCCC(C)O[13CH3] 7a_200011218570_200025704644 [1,0,1,0,0,0|2,0,0]=4 194 B9R0.1 CC(C)CCSC(C)C#N 62a_100000210312_100000703298 [1,0,1,0,0,0|0,0,2]=4 195 B9R0.1 CC(C)CCSC(C)C#N 62a_100000703298_100000210312 [1,0,1,0,0,0|0,0,2]=4 196 B9R0.1 CC(C)CCSC(C)CO 62a_100012180447_100000210312 [1,0,1,0,0,0|1,0,1]=4 197 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100000210312_100016084084 [1,0,1,0,0,0|1,0,1]=4 198 B9R0.1 CC(C)CCS[C@H](C)CO 62a_100016084084_100000210312 [1,0,1,0,0,0|1,0,1]=4 199 B9R0.1 CCC(=O)CCCC(C)C 1458a_100000210414_100011214892 [1,0,1,0,0,0|2,0,0]=4 200 B9R0.1 CCC(=O)CCCC(C)C 1458a_100011216857_100000210202 [1,0,1,0,0,0|2,0,0]=4 201 B9R0.1 CCC(=O)NCCC(C)C 11a_100000210545_100000210414 [1,0,1,0,0,0|1,0,1]=4 202 B9R0.1 CCC(=O)NCCC(C)C 1626a_100000210545_100000210414 [1,0,1,0,0,0|1,0,1]=4 203 B9R0.1 CCC(=O)NCCC(C)C 240690a_100000210545_100000210414 [1,0,1,0,0,0|1,0,1]=4 204 B9R0.1 CCC(=O)NCCC(C)C 527a_100000210545_100000210414 [1,0,1,0,0,0|1,0,1]=4 205 B9R0.1 CCC(C)NCCC(C)C 2230a_100000209981_100000210312 [1,0,1,0,0,0|0,0,2]=4 206 B9R0.1 CCC(C)NCCC(C)C 269862a_100000209981_100000185833 [1,0,1,0,0,0|0,0,2]=4 207 B9R0.1 CCC(C)OCCC(C)C 34a_100000210254_100011215416 [1,0,1,0,0,0|0,1,1]=4 208 B9R0.1 CCC(C)OCCC(C)C 7a_100000210228_100000210626 [1,0,1,0,0,0|0,1,1]=4 209 B9R0.1 CCC(C)OCCC(C)C 7a_100000210254_100000758301 [1,0,1,0,0,0|0,1,1]=4 210 B9R0.1 CCC(C)SCCC(C)C 62a_100000210312_100000758301 [1,0,1,0,0,0|0,0,1]=3 211 B9R0.1 CCC(C)SCCC(C)C 62a_100000758301_100000210312 [1,0,1,0,0,0|0,0,1]=3 212 B9R0.1 CCC(C)SCCC(C)O 62a_100000758301_100012276601 [1,0,1,0,0,0|1,0,1]=4 213 B9R0.1 CCC(C)SCCC(C)O 62a_100012276601_100000758301 [1,0,1,0,0,0|1,0,1]=4 214 B9R0.1 CCC(C)SCCN(C)C 62a_100000758301_100000755713 [1,0,1,0,0,0|1,0,1]=4 215 B9R0.1 CCC(C)SCOC(C)C 62a_100000709892_100000758301 [1,0,1,0,0,0|1,0,1]=4 216 B9R0.1 CCC(C)SCOC(C)C 62a_100000758301_100000709892 [1,0,1,0,0,0|1,0,1]=4 217 B9R0.1 CCN(C)CCCC(C)C 2230a_100000225621_100011214892 [1,0,1,0,0,0|2,0,0]=4 218 B9R0.1 CCN(C)CCCC(C)C 269982a_100000225621_100011214892 [1,0,1,0,0,0|2,0,0]=4 219 B9R0.1 CNC(C)CCCC(C)C 2230a_100000210607_200000210301 [1,0,1,0,0,0|2,0,0]=4 220 B9R0.1 CNC(C)CCCC(C)C 270004a_106832991635_100000753411 [1,0,1,0,0,0|2,0,0]=4 221 B9R0.1 COC(C)CCCC(C)C 34a_200011218570_200000210301 [1,0,1,0,0,0|2,0,0]=4 222 B9R0.1 COC(C)CCCC(C)C 7a_200011218570_200000210301 [1,0,1,0,0,0|2,0,0]=4 223 B9R0.1 COC(C)SCCC(C)C 62a_100000210312_100009879195 [1,0,1,0,0,0|1,0,0]=3 224 B9R0.1 COC(C)SCCC(C)C 62a_100009879195_100000210312 [1,0,1,0,0,0|1,0,0]=3 225 B9R0.1 COC(C)SCCC(C)O 62a_100009879195_100012276601 [1,0,1,0,0,0|2,0,0]=4 226 B9R0.1 COC(C)SCCC(C)O 62a_100012276601_100009879195 [1,0,1,0,0,0|2,0,0]=4 227 B9R0.1 COC(C)SCCN(C)C 62a_100009879195_100000755713 [1,0,1,0,0,0|2,0,0]=4 228 B9R0.1 COC(C)SCOC(C)C 62a_100000709892_100009879195 [1,0,1,0,0,0|2,0,0]=4 229 B9R0.1 COC(C)SCOC(C)C 62a_100009879195_100000709892 [1,0,1,0,0,0|2,0,0]=4 230 B9R0.4 C=CCSC(C)CC(C)C 62a_100000210623_100000731052 [1,0,1,0,0,0|1,0,1]=4 231 B9R0.4 C=CCSC(C)CC(C)C 62a_100000731052_100000210623 [1,0,1,0,0,0|1,0,1]=4 232 B9R0.4 CC(C)CC(C)SCC=O 62a_100000731052_200015260668 [1,0,1,0,0,0|2,0,0]=4 233 B9R0.4 CC(C)CC(C)SCC=O 62a_200015260668_100000731052 [1,0,1,0,0,0|2,0,0]=4 234 B9R0.4 CCCSC(C)CC(C)C 62a_100000210303_100000731052 [1,0,1,0,0,0|1,0,1]=4 235 B9R0.4 CCCSC(C)CC(C)C 62a_100000731052_100000210303 [1,0,1,0,0,0|1,0,1]=4 236 B9R0.4 COCSC(C)CC(C)C 62a_100000731052_100000766300 [1,0,1,0,0,0|2,0,0]=4 237 B9R0.4 COCSC(C)CC(C)C 62a_100000766300_100000731052 [1,0,1,0,0,0|2,0,0]=4 238 B9R0.4 CSCSC(C)CC(C)C 62a_100000731052_100011218213 [1,0,1,0,0,0|2,0,0]=4 239 B9R0.4 CSCSC(C)CC(C)C 62a_100011218213_100000731052 [1,0,1,0,0,0|2,0,0]=4 240 B9R0.34 C=CC(C)SC(C)CCC 62a_100011215867_100000766640 [1,0,1,0,0,0|1,0,1]=4 241 B9R0.34 CCCC(C)SC(C)CC 62a_100000758301_100000766640 [1,0,1,0,0,0|1,0,1]=4 242 B9R0.34 CCCC(C)SC(C)CC 62a_100000766640_100000758301 [1,0,1,0,0,0|1,0,1]=4 243 B9R0.34 CCCC(C)SC(C)OC 62a_100000766640_100009879195 [1,0,1,0,0,0|2,0,0]=4 244 B9R0.34 CCCC(C)SC(C)OC 62a_100009879195_100000766640 [1,0,1,0,0,0|2,0,0]=4 245 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100000692259_100000210206 [1,0,1,0,0,0|2,0,0]=4 246 B9R0.53 CC(C)CC(C)NC(C)C 2230a_100138425928_100000731052 [1,0,1,0,0,0|2,0,0]=4 247 B9R0.53 CC(C)CC(C)NC(C)C 34a_100138425928_100000731052 [1,0,1,0,0,0|2,0,0]=4 248 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000211805_100000210206 [1,0,1,0,0,0|1,1,0]=4 249 B9R0.53 CC(C)CC(C)OC(C)C 34a_100000212225_100000731052 [1,0,1,0,0,0|1,1,0]=4 250 B9R0.53 CC(C)CC(C)OC(C)C 7a_100000211805_100000210206 [1,0,1,0,0,0|1,1,0]=4 251 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000210206_100000731052 [1,0,1,0,0,0|1,0,0]=3 252 B9R0.53 CC(C)CC(C)SC(C)C 62a_100000731052_100000210206 [1,0,1,0,0,0|1,0,0]=3 253 B9R0.53 CC(C)SC(C)CN(C)C 62a_100000210206_100020606517 [1,0,1,0,0,0|2,0,0]=4 254 B9R0.53 CC(C)SC(C)CN(C)C 62a_100020606517_100000210206 [1,0,1,0,0,0|2,0,0]=4 255 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,0,1,0,0,0|0,1,1]=4 256 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,0,1,0,0,0|0,1,1]=4 257 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [1,0,1,0,0,0|1,1,0]=4 258 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [1,0,1,0,0,0|1,1,0]=4 259 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [1,0,1,0,0,0|1,1,0]=4 260 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [1,0,1,0,0,0|1,1,0]=4 261 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [1,0,1,0,0,0|2,0,0]=4 262 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [1,0,1,0,0,0|2,0,0]=4 263 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [1,0,1,0,0,0|2,0,0]=4 264 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [1,0,1,0,0,0|2,0,0]=4 265 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,0,1,0,0,0|2,0,0]=4 266 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,0,1,0,0,0|2,0,0]=4 267 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,0,1,0,0,0|2,0,0]=4 268 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,0,1,0,0,0|2,0,0]=4 269 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [1,0,1,0,0,0|1,1,0]=4 270 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [1,0,1,0,0,0|1,1,0]=4 271 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [1,0,1,0,0,0|1,0,1]=4 272 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [1,0,1,0,0,0|1,0,1]=4 273 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [1,0,1,0,0,0|2,0,0]=4 274 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [1,0,1,0,0,0|2,0,0]=4 275 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [1,0,1,0,0,0|2,0,0]=4 276 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [1,0,1,0,0,0|2,0,0]=4 277 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [1,0,1,0,0,0|2,0,0]=4 278 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [1,0,1,0,0,0|2,0,0]=4 279 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [1,0,1,0,0,0|2,0,0]=4 280 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [1,0,1,0,0,0|2,0,0]=4 281 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [1,0,1,0,0,0|2,0,0]=4 282 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [1,0,1,0,0,0|2,0,0]=4 283 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [1,0,1,0,0,0|1,1,0]=4 284 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [1,0,1,0,0,0|1,1,0]=4 285 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [1,0,1,0,0,0|1,0,0]=3 286 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [1,0,1,0,0,0|1,0,0]=3 287 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [1,0,1,0,0,0|1,0,0]=3 288 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [1,0,1,0,0,0|1,0,1]=4 289 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [1,0,1,0,0,0|1,0,1]=4 290 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [1,0,1,0,0,0|1,0,0]=3 291 B9R0.47 CCCNN=C(C)C(C)C 4a_100000740057_100000211110 [1,0,1,0,0,0|2,0,0]=4 292 B9R0.47 CCCNN=C(C)C(C)O 4a_100000740057_100000212229 [1,0,1,0,0,0|1,1,0]=4 293 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [1,0,1,0,0,0|2,0,0]=4 294 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [1,0,1,0,0,0|2,0,0]=4 295 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [1,0,1,0,0,0|2,0,0]=4 296 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [1,0,1,0,0,0|2,0,0]=4 297 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [1,0,1,0,0,0|2,0,0]=4 298 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [1,0,1,0,0,0|2,0,0]=4 299 B9R0.55 C=C(C)COCCC(C)C 34a_100000210245_100000210312 [1,0,1,0,0,0|1,1,0]=4 300 B9R0.55 C=C(C)COCCC(C)C 34a_100000210254_100000748629 [1,0,1,0,0,0|1,1,0]=4 301 B9R0.55 C=C(C)COCCC(C)C 7a_100000210254_100000748629 [1,0,1,0,0,0|1,1,0]=4 302 B9R0.55 C=C(C)CSCCC(C)C 62a_100000210312_100000211660 [1,0,1,0,0,0|1,0,0]=3 303 B9R0.55 C=C(C)CSCCC(C)C 62a_100000748629_100000210312 [1,0,1,0,0,0|1,0,0]=3 304 B9R0.55 C=C(C)CSCCC(C)O 62a_100000748629_100012276601 [1,0,1,0,0,0|2,0,0]=4 305 B9R0.55 C=C(C)CSCCC(C)O 62a_100012276601_100000211660 [1,0,1,0,0,0|2,0,0]=4 306 B9R0.55 C=C(C)CSCCN(C)C 62a_100000748629_100000755713 [1,0,1,0,0,0|2,0,0]=4 307 B9R0.55 C=C(C)CSCOC(C)C 62a_100000709892_100000211660 [1,0,1,0,0,0|2,0,0]=4 308 B9R0.55 C=C(C)CSCOC(C)C 62a_100000748629_100000709892 [1,0,1,0,0,0|2,0,0]=4 309 B9R0.55 C=C(F)CSCCC(C)C 62a_100000042424_100000210312 [1,0,1,0,0,0|1,0,1]=4 310 B9R0.55 C=C(F)CSCCC(C)C 62a_100000210312_100000042424 [1,0,1,0,0,0|1,0,1]=4 311 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,1,0,0,0|2,0,0]=4 312 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,1,0,0,0|2,0,0]=4 313 B9R0.55 CC(=O)COCCC(C)C 34a_100000211253_100000210312 [1,0,1,0,0,0|1,1,0]=4 314 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,1,0,0,0|2,0,0]=4 315 B9R0.55 CC(C)CCSCC(=O)N 62a_100000210312_100000747473 [1,0,1,0,0,0|1,0,1]=4 316 B9R0.55 CC(C)CCSCC(=O)N 62a_100000747473_100000210312 [1,0,1,0,0,0|1,0,1]=4 317 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100000210312_100020667443 [1,0,1,0,0,0|2,0,0]=4 318 B9R0.55 CC(C)CCSCC(=O)[O-] 62a_100020667443_100000210312 [1,0,1,0,0,0|2,0,0]=4 319 B9R0.55 CC(C)CCSCC(C)C 62a_100000210312_100000210760 [1,0,1,0,0,0|1,0,1]=4 320 B9R0.55 CC(C)CCSCC(C)C 62a_100000210624_100000210312 [1,0,1,0,0,0|1,0,1]=4 321 B9R0.55 CC(C)CCSCC(C)O 62a_100000210312_100011218427 [1,0,1,0,0,0|1,0,1]=4 322 B9R0.55 CC(C)CCSCC(C)O 62a_100011218427_100000210312 [1,0,1,0,0,0|1,0,1]=4 323 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100000210312_100009817552 [1,0,1,0,0,0|1,0,1]=4 324 B9R0.55 CC(C)CCSC[C@@H](C)O 62a_100009817552_100000210312 [1,0,1,0,0,0|1,0,1]=4 325 B11R0.1 C/C=C/C(C)OC(C)CC(C)C 34a_200102604097_100000731052 [0,1,1,0,0,0|1,1,0]=4 326 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100000731052_100009893172 [0,1,1,0,0,0|1,0,1]=4 327 B11R0.1 CC(C)CC(C)SC(C)CCO 62a_100009893172_100000731052 [0,1,1,0,0,0|1,0,1]=4 328 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000731052_100000766640 [0,1,1,0,0,0|1,0,1]=4 329 B11R0.1 CCCC(C)SC(C)CC(C)C 62a_100000766640_100000731052 [0,1,1,0,0,0|1,0,1]=4 330 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000731052_100000765312 [0,1,1,0,0,0|1,0,1]=4 331 B11R0.1 COCC(C)SC(C)CC(C)C 62a_100000765312_100000731052 [0,1,1,0,0,0|1,0,1]=4 332 B11R0.19 CCC(CC)SC(C)CC(C)C 62a_100000210505_100000731052 [0,1,1,0,0,0|1,0,1]=4 333 B11R0.19 CCC(CC)SC(C)CC(C)C 62a_100000731052_100000210505 [0,1,1,0,0,0|1,0,1]=4 334 B11R0.33 C=C(C)C(C)NC(C)CC(C)C 269862a_100000692259_100011216138 [0,1,1,0,0,0|2,0,0]=4 335 B11R0.33 CC(=O)C(C)NC(C)CC(C)C 2230a_100000692259_100009814033 [0,1,1,0,0,0|2,0,0]=4 336 B11R0.33 CC(=O)C(C)OC(C)CC(C)C 34a_100000212229_100000731052 [0,1,1,0,0,0|1,1,0]=4 337 B11R0.33 CC(=O)C(C)OC(C)CC(C)C 7a_100000211805_100000179758 [0,1,1,0,0,0|1,1,0]=4 338 B11R0.33 CC(=O)C(C)SC(C)CC(C)C 62a_100000731052_100009814033 [0,1,1,0,0,0|1,0,0]=3 339 B11R0.33 CC(=O)C(C)SC(C)CC(C)C 62a_100009814033_100000731052 [0,1,1,0,0,0|1,0,0]=3 340 B11R0.33 CC(=O)C(C)SC(C)CN(C)C 62a_100009814033_100020606517 [0,1,1,0,0,0|2,0,0]=4 341 B11R0.33 CC(=O)C(C)SC(C)CN(C)C 62a_100020606517_100009814033 [0,1,1,0,0,0|2,0,0]=4 342 B11R0.33 CC(C)CC(C)SC(C)C(=O)N 62a_100000702099_100000731052 [0,1,1,0,0,0|2,0,0]=4 343 B11R0.33 CC(C)CC(C)SC(C)C(=O)N 62a_100000731052_100000702099 [0,1,1,0,0,0|2,0,0]=4 344 B11R0.300 CCC(C)(C)SC(C)CC(C)C 62a_100000032637_100000731052 [0,1,1,0,0,0|1,0,1]=4 345 B11R0.300 CCC(C)(C)SC(C)CC(C)C 62a_100000731052_100000032637 [0,1,1,0,0,0|1,0,1]=4 346 B11R0.35 CC=CC(CC(C)C)OC(C)C 34a_100020643927_100000210206 [0,1,1,0,0,0|1,1,0]=4 347 B11R0.35 CC=CC(CC(C)C)OC(C)C 7a_100020643927_100000210206 [0,1,1,0,0,0|1,1,0]=4 348 B11R0.47 CC=CC(CC(C)C)OCCC 34a_100020643927_100000210303 [0,1,1,0,0,0|1,1,0]=4 349 B11R0.47 CC=CC(CC(C)C)OCCC 7a_100020643927_100000210303 [0,1,1,0,0,0|1,1,0]=4 350 B11R0.47 CC=CC(CC(C)C)OCCF 34a_100020643927_100011217306 [0,1,1,0,0,0|1,1,0]=4 351 B11R0.47 CC=CC(CC(C)C)OCCF 7a_100020643927_100011217306 [0,1,1,0,0,0|1,1,0]=4 352 B11R0.47 CC=CC(CC(C)C)OCCO 34a_100020643927_100000211926 [0,1,1,0,0,0|1,1,0]=4 353 B11R0.47 CC=CC(CC(C)C)OCCO 7a_100020643927_100000211926 [0,1,1,0,0,0|1,1,0]=4 354 B11R0.47 CC=CC(CC(C)C)OCSC 34a_100020643927_100011218213 [0,1,1,0,0,0|1,1,0]=4 355 B11R0.109 C=C(C)C(C)NCCC(C)CC 269862a_100020591266_100011216138 [0,1,1,0,0,0|2,0,0]=4 356 B11R0.109 C=C(C)C(C)NCCC(C)CO 269862a_106354213184_100011216138 [0,1,1,0,0,0|2,0,0]=4 357 B11R0.109 CC(=O)C(C)NCCC(C)CO 2230a_106354213184_100009814033 [0,1,1,0,0,0|2,0,0]=4 358 B11R0.109 CCC(C)CCNC(C)C(=O)C 2230a_100020591266_100009814033 [0,1,1,0,0,0|2,0,0]=4 359 B11R0.109 CCC(C)CCOC(C)C(=O)C 7a_100011215188_100000179758 [0,1,1,0,0,0|1,1,0]=4 360 B11R0.109 COC(C)CCOC(C)C(=O)C 7a_100000764861_100000179758 [0,1,1,0,0,0|1,1,0]=4 361 B11R0.145 C/C=C(\C)/C(C)NCCC(C)C 269862a_100000210545_100020675665 [0,1,1,0,0,0|2,0,0]=4 362 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_100000735922_200025704644 [0,1,1,0,0,0|1,0,1]=4 363 B11R0.145 CC(C)CCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735922 [0,1,1,0,0,0|1,0,1]=4 364 B11R0.145 CCC(=O)C(C)OCCC(C)C 7a_100000210254_100000742827 [0,1,1,0,0,0|1,1,0]=4 365 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000210312_100000742827 [0,1,1,0,0,0|1,0,0]=3 366 B11R0.145 CCC(=O)C(C)SCCC(C)C 62a_100000742827_100000210312 [0,1,1,0,0,0|1,0,0]=3 367 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100000742827_100012276601 [0,1,1,0,0,0|2,0,0]=4 368 B11R0.145 CCC(=O)C(C)SCCC(C)O 62a_100012276601_100000742827 [0,1,1,0,0,0|2,0,0]=4 369 B11R0.145 CCC(=O)C(C)SCCN(C)C 62a_100000742827_100000755713 [0,1,1,0,0,0|2,0,0]=4 370 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000709892_100000742827 [0,1,1,0,0,0|2,0,0]=4 371 B11R0.145 CCC(=O)C(C)SCOC(C)C 62a_100000742827_100000709892 [0,1,1,0,0,0|2,0,0]=4 372 B11R0.145 CNC(=O)C(C)OCCC(C)C 34a_100000210254_100000731044 [0,1,1,0,0,0|1,1,0]=4 373 B11R0.145 CNC(=O)C(C)OCCC(C)C 7a_100000210254_100000209862 [0,1,1,0,0,0|1,1,0]=4 374 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000209862_100000210312 [0,1,1,0,0,0|1,0,0]=3 375 B11R0.145 CNC(=O)C(C)SCCC(C)C 62a_100000210312_100000731044 [0,1,1,0,0,0|1,0,0]=3 376 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100000209862_100012276601 [0,1,1,0,0,0|2,0,0]=4 377 B11R0.145 CNC(=O)C(C)SCCC(C)O 62a_100012276601_100000731044 [0,1,1,0,0,0|2,0,0]=4 378 B11R0.145 CNC(=O)C(C)SCCN(C)C 62a_100000209862_100000755713 [0,1,1,0,0,0|2,0,0]=4 379 B11R0.145 CNC(=O)C(C)SCOC(C)C 62a_100000209862_100000709892 [0,1,1,0,0,0|2,0,0]=4 380 B11R0.145 CNC(=O)C(C)SCOC(C)C 62a_100000709892_100000731044 [0,1,1,0,0,0|2,0,0]=4 381 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100000210312_100009813575 [0,1,1,0,0,0|2,0,0]=4 382 B11R0.145 CNC(=O)C(F)SCCC(C)C 62a_100009813575_100000210312 [0,1,1,0,0,0|2,0,0]=4 383 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 2230a_100000684985_100000210312 [0,1,1,0,0,0|2,0,0]=4 384 B11R0.145 CNC(=O)[C@@H](C)NCCC(C)C 34a_100000684985_100000210312 [0,1,1,0,0,0|2,0,0]=4 385 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100000210254_100000211248 [0,1,1,0,0,0|1,1,0]=4 386 B11R0.145 COC(=O)C(C)OCCC(C)C 34a_100011215400_100000210312 [0,1,1,0,0,0|1,1,0]=4 387 B11R0.145 COC(=O)C(C)OCCC(C)C 7a_100000210254_100000211248 [0,1,1,0,0,0|1,1,0]=4 388 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000210312_100000211248 [0,1,1,0,0,0|1,0,0]=3 389 B11R0.145 COC(=O)C(C)SCCC(C)C 62a_100000211248_100000210312 [0,1,1,0,0,0|1,0,0]=3 390 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100000211248_100012276601 [0,1,1,0,0,0|2,0,0]=4 391 B11R0.145 COC(=O)C(C)SCCC(C)O 62a_100012276601_100000211248 [0,1,1,0,0,0|2,0,0]=4 392 B11R0.145 COC(=O)C(C)SCCN(C)C 62a_100000211248_100000755713 [0,1,1,0,0,0|2,0,0]=4 393 B11R0.145 COC(=O)C(C)SCOC(C)C 62a_100000211248_100000709892 [0,1,1,0,0,0|2,0,0]=4 394 B11R0.145 COC(=O)C(C)SCOC(C)C 62a_100000709892_100000211248 [0,1,1,0,0,0|2,0,0]=4 395 B11R0.145 CSC(C)C(=NNCC(C)O)C 4a_200000730056_200011218923 [0,1,1,0,0,0|2,0,0]=4 396 B11R0.145 CSC(C)C(=O)CCCC(C)C 1458a_100000149566_100011214892 [0,1,1,0,0,0|2,0,0]=4 397 B11R0.145 CSC(C)C(=O)NCCC(C)C 11a_100000210545_100000149566 [0,1,1,0,0,0|1,0,1]=4 398 B11R0.145 CSC(C)C(=O)NCCC(C)C 1626a_100000210545_100000149566 [0,1,1,0,0,0|1,0,1]=4 399 B11R0.145 CSC(C)C(=O)NCCC(C)C 240690a_100000210545_100000149566 [0,1,1,0,0,0|1,0,1]=4 400 B11R0.145 CSC(C)C(=O)NCCC(C)C 527a_100000210545_100000149566 [0,1,1,0,0,0|1,0,1]=4 401 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_100000735922_200000210301 [0,1,1,0,0,0|1,0,1]=4 402 B11R0.145 CSC(C)C(=O)NCCC(C)C 62a_200000210301_100000735922 [0,1,1,0,0,0|1,0,1]=4 403 B11R0.150 C=C(C)C(C)NCC(O)C(C)C 269862a_100000759067_100011216138 [0,1,1,0,0,0|2,0,0]=4 404 B11R0.150 CC(=O)C(C)NCC(O)C(C)C 2230a_100000759067_100009814033 [0,1,1,0,0,0|2,0,0]=4 405 B11R0.150 CC(=O)C(C)SCC(=O)C(C)C 62a_100000753385_100009814033 [0,1,1,0,0,0|1,0,1]=4 406 B11R0.150 CC(=O)C(C)SCC(=O)C(C)C 62a_100009814033_100000753385 [0,1,1,0,0,0|1,0,1]=4 407 B11R0.173 CC(=O)C(C)C(=O)CCC(C)C 1458a_100000181311_100000179758 [0,1,1,0,0,0|2,0,0]=4 408 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 2230a_100000742789_100009814033 [0,1,1,0,0,0|2,0,0]=4 409 B11R0.173 CC(=O)C(C)N(C)CCC(C)C 269982a_100000742789_100009814033 [0,1,1,0,0,0|2,0,0]=4 410 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 34a_100000747739_100000210312 [0,1,1,0,0,0|1,1,0]=4 411 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000210254_100000075568 [0,1,1,0,0,0|1,1,0]=4 412 B11R0.202 CC(=O)C(C)(C)OCCC(C)C 7a_100000747739_100000210626 [0,1,1,0,0,0|1,1,0]=4 413 B11R0.202 CC(=O)C(C)(C)SCCC(C)C 62a_100000075568_100000210312 [0,1,1,0,0,0|1,0,0]=3 414 B11R0.202 CC(=O)C(C)(C)SCCC(C)C 62a_100000210312_100000075568 [0,1,1,0,0,0|1,0,0]=3 415 B11R0.202 CC(=O)C(C)(C)SCCC(C)O 62a_100000075568_100012276601 [0,1,1,0,0,0|2,0,0]=4 416 B11R0.202 CC(=O)C(C)(C)SCCC(C)O 62a_100012276601_100000075568 [0,1,1,0,0,0|2,0,0]=4 417 B11R0.202 CC(=O)C(C)(C)SCCN(C)C 62a_100000075568_100000755713 [0,1,1,0,0,0|2,0,0]=4 418 B11R0.202 CC(=O)C(C)(C)SCOC(C)C 62a_100000075568_100000709892 [0,1,1,0,0,0|2,0,0]=4 419 B11R0.202 CC(=O)C(C)(C)SCOC(C)C 62a_100000709892_100000075568 [0,1,1,0,0,0|2,0,0]=4 420 B11R0.202 CC(C)CCSC(C)(C)C(=O)N 62a_100000210312_100000702505 [0,1,1,0,0,0|1,0,1]=4 421 B11R0.202 CC(C)CCSC(C)(C)C(=O)N 62a_100000702505_100000210312 [0,1,1,0,0,0|1,0,1]=4 422 B11R0.202 CC(C)CCSC(C)(C)N(C)C 62a_100000210312_217856628674 [0,1,1,0,0,0|2,0,0]=4 423 B11R0.202 CC(C)CCSC(C)(C)N(C)C 62a_217856628674_100000210312 [0,1,1,0,0,0|2,0,0]=4 424 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000210312_100000750255 [0,1,1,0,0,0|1,0,1]=4 425 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000750255_100000210312 [0,1,1,0,0,0|1,0,1]=4 426 B11R0.318 C=C(C)C(C)NCCC(C)(C)C 269862a_100000738805_100011216138 [0,1,1,0,0,0|2,0,0]=4 427 B11R0.318 C=C(C)C(C)NCCC(C)(C)F 269862a_100016253952_100011216138 [0,1,1,0,0,0|2,0,0]=4 428 B11R0.318 C=C(C)C(C)NCCC(C)(C)O 269862a_100000707701_100011216138 [0,1,1,0,0,0|2,0,0]=4 429 B11R0.318 CC(=O)C(C)NCCC(C)(C)C 2230a_100000738805_100009814033 [0,1,1,0,0,0|2,0,0]=4 430 B11R0.318 CC(=O)C(C)NCCC(C)(C)F 2230a_100016253952_100009814033 [0,1,1,0,0,0|2,0,0]=4 431 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 34a_100000212229_100000755188 [0,1,1,0,0,0|1,1,0]=4 432 B11R0.318 CC(=O)C(C)OCCC(C)(C)C 7a_100000765024_100000179758 [0,1,1,0,0,0|1,1,0]=4 433 B11R0.318 CC(=O)C(C)OCCC(C)(C)O 34a_100000212229_100000702414 [0,1,1,0,0,0|1,1,0]=4 434 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100000755188_100009814033 [0,1,1,0,0,0|1,0,0]=3 435 B11R0.318 CC(=O)C(C)SCCC(C)(C)C 62a_100009814033_100000755188 [0,1,1,0,0,0|1,0,0]=3 436 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100000702414_100009814033 [0,1,1,0,0,0|1,0,0]=3 437 B11R0.318 CC(=O)C(C)SCCC(C)(C)O 62a_100009814033_100000702414 [0,1,1,0,0,0|1,0,0]=3 438 B11R0.318 CC(=O)C(C)SCC[N+](C)(C)C 62a_100000085578_100009814033 [0,1,1,0,0,0|2,0,0]=4 439 B11R0.318 CC(=O)C(C)SCC[N+](C)(C)C 62a_100009814033_100000085578 [0,1,1,0,0,0|2,0,0]=4 440 B11R0.318 CC(=O)C(C)SCC[Si](C)(C)C 62a_100009814033_200000733723 [0,1,1,0,0,0|1,1,0]=4 441 B11R0.318 CC(=O)C(C)SCC[Si](C)(C)C 62a_200000733723_100009814033 [0,1,1,0,0,0|1,1,0]=4 442 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000702099_100000755188 [0,1,1,0,0,0|1,0,1]=4 443 B11R0.318 CC(SCCC(C)(C)C)C(=O)N 62a_100000755188_100000702099 [0,1,1,0,0,0|1,0,1]=4 444 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702099_100000702414 [0,1,1,0,0,0|1,0,1]=4 445 B11R0.318 CC(SCCC(C)(C)O)C(=O)N 62a_100000702414_100000702099 [0,1,1,0,0,0|1,0,1]=4 446 B11R1.231 CCCCc1nc(c(s1)C)C 271570a_100020621405_100000765934 [1,1,0,0,0,0|0,0,2]=4 447 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000210303_100000765934 [1,1,0,0,0,0|0,0,2]=4 448 B11R1.231 CCCSc1nc(c(s1)C)C 62a_100000765934_100000210303 [1,1,0,0,0,0|0,0,2]=4 449 B11R1.231 CCNCc1nc(c(s1)C)C 207a_100015525214_100011775437 [1,1,0,0,0,0|0,0,2]=4 450 B11R1.231 CCNCc1nc(c(s1)C)C 2230a_100015525214_100012347604 [1,1,0,0,0,0|0,0,2]=4 451 B11R1.231 CCNCc1nc(c(s1)C)C 270004a_100015525214_100011775437 [1,1,0,0,0,0|0,0,2]=4 452 B11R1.231 CCOCc1nc(c(s1)C)C 34a_100121572206_100012347604 [1,1,0,0,0,0|0,0,2]=4 453 B11R1.231 CCOCc1nc(c(s1)C)C 7a_100000760949_100000210202 [1,1,0,0,0,0|0,0,2]=4 454 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000210202_100012347604 [1,1,0,0,0,0|0,0,2]=4 455 B11R1.231 CCSCc1nc(c(s1)C)C 62a_100000763442_100000210202 [1,1,0,0,0,0|0,0,2]=4 456 B11R1.231 CNCCc1nc(c(s1)C)C 2230a_100000759773_200000210301 [1,1,0,0,0,0|0,0,2]=4 457 B11R1.231 Cc1nc(sc1C)CCN[13CH3] 2230a_100000759773_200025704644 [1,1,0,0,0,0|0,0,2]=4 458 B13R1.69 Cc1nc(sc1CO)SCC(C)C 62a_100000210624_100010264302 [0,1,0,0,0,1|0,0,2]=4 459 B13R1.69 Cc1nc(sc1CO)SCC(C)C 62a_100010264302_100000210760 [0,1,0,0,0,1|0,0,2]=4 460 B13R1.69 Cc1sc(nc1CO)SCC(C)C 62a_100000210624_100010127906 [0,1,0,0,0,1|0,0,2]=4 461 B13R1.69 Cc1sc(nc1CO)SCC(C)C 62a_100010127906_100000210760 [0,1,0,0,0,1|0,0,2]=4 462 B13R1.597 CCC(C)CNc1nc(c(s1)C)C 27a_100020588543_100000765934 [0,1,0,0,0,1|0,0,2]=4 463 B13R1.597 CCC(C)CSc1nc(c(s1)C)C 62a_100000748023_100000765934 [0,1,0,0,0,1|0,0,2]=4 464 B13R1.597 CCC(C)CSc1nc(c(s1)C)C 62a_100000765934_100000748023 [0,1,0,0,0,1|0,0,2]=4 465 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 207a_100000209981_100011775437 [0,1,0,0,0,1|0,0,2]=4 466 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 2230a_100000209981_100012347604 [0,1,0,0,0,1|0,0,2]=4 467 B13R1.597 CCC(C)NCc1nc(c(s1)C)C 270004a_100000209981_100011775437 [0,1,0,0,0,1|0,0,2]=4 468 B13R1.597 CCC(C)OCc1nc(c(s1)C)C 7a_100000210228_100012347604 [0,1,0,0,0,1|0,0,2]=4 469 B13R1.597 CCC(C)OCc1nc(c(s1)C)C 7a_100000760949_100000758301 [0,1,0,0,0,1|0,0,2]=4 470 B13R1.597 CCC(C)SCc1nc(c(s1)C)C 62a_100000758301_100012347604 [0,1,0,0,0,1|0,0,2]=4 471 B13R1.597 CCC(C)SCc1nc(c(s1)C)C 62a_100000763442_100000758301 [0,1,0,0,0,1|0,0,2]=4 472 B13R1.597 CC[C@H](C)CSc1nc(c(s1)C)C 62a_100000765934_100009816398 [0,1,0,0,0,1|0,0,2]=4 473 B13R1.597 CC[C@H](C)CSc1nc(c(s1)C)C 62a_100009816398_100000765934 [0,1,0,0,0,1|0,0,2]=4 474 B13R1.597 COC(C)SCc1nc(c(s1)C)C 62a_100000763442_100009879195 [0,1,0,0,0,1|0,0,2]=4 475 B13R1.597 COC(C)SCc1nc(c(s1)C)C 62a_100009879195_100012347604 [0,1,0,0,0,1|0,0,2]=4 476 B13R1.597 CO[C@H](C)CNc1nc(c(s1)C)C 27a_100020591295_100000765934 [0,1,0,0,0,1|0,0,2]=4 477 B13R1.597 Cc1nc(sc1C)CN[C@H](C)CF 207a_100102880703_100011775437 [0,1,0,0,0,1|0,0,2]=4 478 B13R1.597 Cc1nc(sc1C)CN[C@H](C)CF 270004a_100102880703_100011775437 [0,1,0,0,0,1|0,0,2]=4 479 B13R1.597 Cc1nc(sc1C)CN[C@H](C)CO 207a_100000737577_100011775437 [0,1,0,0,0,1|0,0,2]=4 480 B13R1.597 Cc1nc(sc1C)CN[C@H](C)CO 2230a_100000737577_100012347604 [0,1,0,0,0,1|0,0,2]=4 481 B13R1.597 Cc1nc(sc1C)CN[C@H](C)CO 270004a_100000737577_100011775437 [0,1,0,0,0,1|0,0,2]=4 482 B13R1.597 Cc1nc(sc1C)COC(C)CF 34a_100016041109_100012347604 [0,1,0,0,0,1|0,0,2]=4 483 B13R1.597 Cc1nc(sc1C)COC(C)CF 7a_100016041109_100012347604 [0,1,0,0,0,1|0,0,2]=4 484 B13R1.597 Cc1nc(sc1C)COC(C)CN 34a_100000210904_100012347604 [0,1,0,0,0,1|0,0,2]=4 485 B13R1.597 Cc1nc(sc1C)COC(C)CO 7a_100000760949_100012180447 [0,1,0,0,0,1|0,0,2]=4 486 B13R1.597 Cc1nc(sc1C)CSC(C)CO 62a_100012180447_100012347604 [0,1,0,0,0,1|0,0,2]=4 487 B13R1.597 Cc1nc(sc1C)CS[C@H](C)CO 62a_100000763442_100016084084 [0,1,0,0,0,1|0,0,2]=4 488 B13R1.597 Cc1nc(sc1C)CS[C@H](C)CO 62a_100016084084_100012347604 [0,1,0,0,0,1|0,0,2]=4 489 B13R1.597 Cc1nc(sc1C)NCC(C)CO 27a_100000744482_100000765934 [0,1,0,0,0,1|0,0,2]=4 490 B13R1.597 Cc1nc(sc1C)SC[C@@H](C)CO 62a_100000059175_100000765934 [0,1,0,0,0,1|0,0,2]=4 491 B13R1.597 Cc1nc(sc1C)SC[C@@H](C)CO 62a_100000765934_100000059175 [0,1,0,0,0,1|0,0,2]=4 492 B13R1.3442 Cc1nc(sc1C)CNC(C)(C)C 207a_100000715429_100011775437 [0,1,0,0,0,1|0,0,2]=4 493 B13R1.3442 Cc1nc(sc1C)CNC(C)(C)C 2230a_100000715429_100012347604 [0,1,0,0,0,1|0,0,2]=4 494 B13R1.3442 Cc1nc(sc1C)COC(C)(C)C 34a_100015890283_100012347604 [0,1,0,0,0,1|0,0,2]=4 495 B13R1.3442 Cc1nc(sc1C)COC(C)(C)C 7a_100015890283_100012347604 [0,1,0,0,0,1|0,0,2]=4 496 B13R1.3442 Cc1nc(sc1C)CSC(C)(C)C 62a_100000211941_100012347604 [0,1,0,0,0,1|0,0,2]=4 497 B13R1.3442 Cc1nc(sc1C)CSC(C)(C)C 62a_100000763442_100000211941 [0,1,0,0,0,1|0,0,2]=4 498 B13R1.3442 Cc1nc(sc1C)NCC(C)(C)C 27a_100000743828_100000765934 [0,1,0,0,0,1|0,0,2]=4 499 B13R1.3442 Cc1nc(sc1C)NCC(C)(C)F 27a_100020643315_100000765934 [0,1,0,0,0,1|0,0,2]=4 500 B13R1.3442 Cc1nc(sc1C)NCC(C)(C)O 27a_100000751335_100000765934 [0,1,0,0,0,1|0,0,2]=4 501 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)C 62a_100000765934_100011219605 [0,1,0,0,0,1|0,0,2]=4 502 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)C 62a_100011219605_100000765934 [0,1,0,0,0,1|0,0,2]=4 503 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)F 62a_100000765934_100011997219 [0,1,0,0,0,1|0,0,2]=4 504 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)F 62a_100011997219_100000765934 [0,1,0,0,0,1|0,0,2]=4 505 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)O 62a_100000764493_100000765934 [0,1,0,0,0,1|0,0,2]=4 506 B13R1.3442 Cc1nc(sc1C)SCC(C)(C)O 62a_100000765934_100000764493 [0,1,0,0,0,1|0,0,2]=4 507 B13R1.3448 Cc1nc(sc1C)N(C)CC(C)C 27a_100000747067_100000765934 [0,1,0,0,0,1|0,0,2]=4 508 B13R1.3448 Cc1nc(sc1C)[C@@H](N)CC(C)C 271570a_100015190218_100000765934 [0,1,0,0,0,1|0,0,2]=4 509 B13R1.3449 Cc1nc(sc1C)CC(=O)C(C)C 1458a_100000210198_100000763442 [0,1,0,0,0,1|0,0,2]=4 510 B13R1.3449 Cc1nc(sc1C)CN(C)C(C)C 269982a_200000211004_100012347604 [0,1,0,0,0,1|0,0,2]=4 511 B13R1.3449 Cc1nc(sc1C)CN(C)C(C)C 270004a_200000211004_100011775437 [0,1,0,0,0,1|0,0,2]=4 512 B13R1.3449 Cc1nc(sc1C)NC(C)C(C)C 27a_100000211541_100000765934 [0,1,0,0,0,1|0,0,2]=4 513 B11R1.484 CC(C)CC(C)SC1CCC1 62a_100000731052_100000749161 [0,0,1,1,0,0|1,0,1]=4 514 B11R1.104 CC(=O)C(C)OCC1CC1C 7a_100000744939_100000179758 [0,0,1,1,0,0|1,1,0]=4 515 B11R1.161 CC(C)CCOC1CCC1=O 34a_100000210254_100009892977 [0,0,1,1,0,0|1,1,0]=4 516 B11R1.161 CC(C)CCOC1CCC1=O 7a_100000210254_100009892977 [0,0,1,1,0,0|1,1,0]=4 517 B11R1.161 CC(C)CCSC1CCC1=O 62a_100000210312_100009892977 [0,0,1,1,0,0|1,0,0]=3 518 B11R1.161 CC(C)CCSC1CCC1=O 62a_100009892977_100000210312 [0,0,1,1,0,0|1,0,0]=3 519 B11R1.161 CC(C)OCSC1CCC1=O 62a_100000709892_100009892977 [0,0,1,1,0,0|2,0,0]=4 520 B11R1.161 CC(C)OCSC1CCC1=O 62a_100009892977_100000709892 [0,0,1,1,0,0|2,0,0]=4 521 B11R1.161 CC(O)CCSC1CCC1=O 62a_100009892977_100012276601 [0,0,1,1,0,0|2,0,0]=4 522 B11R1.161 CC(O)CCSC1CCC1=O 62a_100012276601_100009892977 [0,0,1,1,0,0|2,0,0]=4 523 B11R1.161 CN(C)CCSC1CCC1=O 62a_100009892977_100000755713 [0,0,1,1,0,0|2,0,0]=4 524 B11R1.333 C=C(C)C(C)NCCC1CC1 269862a_100000764129_100011216138 [0,0,1,1,0,0|2,0,0]=4 525 B11R1.333 CC(=NNCC1CC1)C(C)C 4a_100000736359_100000211110 [0,0,1,1,0,0|2,0,0]=4 526 B11R1.333 CC(=NNCC1CC1)C(C)O 4a_100000736359_100000212229 [0,0,1,1,0,0|1,1,0]=4 527 B11R1.333 CC(=O)C(C)OCCC1CC1 34a_100000212229_100000694398 [0,0,1,1,0,0|1,1,0]=4 528 B11R1.333 CC(=O)C(C)OCCC1CC1 7a_100000754188_100000179758 [0,0,1,1,0,0|1,1,0]=4 529 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100000764125_100009814033 [0,0,1,1,0,0|1,0,0]=3 530 B11R1.333 CC(=O)C(C)SCCC1CC1 62a_100009814033_100000764125 [0,0,1,1,0,0|1,0,0]=3 531 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100000732470_100009814033 [0,0,1,1,0,0|2,0,0]=4 532 B11R1.333 CC(=O)C(C)SCCC1CO1 62a_100009814033_100000732470 [0,0,1,1,0,0|2,0,0]=4 533 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000702099_100000764125 [0,0,1,1,0,0|1,0,1]=4 534 B11R1.333 CC(SCCC1CC1)C(=O)N 62a_100000764125_100000702099 [0,0,1,1,0,0|1,0,1]=4 535 B11R2.355 Cc1nc(sc1C)C2CC2 271570a_100011220607_100000765934 [1,0,0,1,0,0|0,0,2]=4 536 B13R2.398 Cc1nc(sc1C)N2CC(C2)C 27a_100000702820_100000765934 [0,0,0,1,0,1|0,0,2]=4 537 B13R2.3002 Cc1nc(sc1C)CNC2CC2 34a_100000212008_100012347604 [0,0,0,1,0,1|0,0,2]=4 538 B13R2.3002 Cc1nc(sc1C)CSC2CC2 62a_100000763442_100000211595 [0,0,0,1,0,1|0,0,2]=4 539 B13R2.3002 Cc1nc(sc1C)NCC2CC2 27a_100000735609_100000765934 [0,0,0,1,0,1|0,0,2]=4 540 B13R2.3002 Cc1nc(sc1C)SCC2CC2 62a_100000756562_100000765934 [0,0,0,1,0,1|0,0,2]=4 541 B13R2.3002 Cc1nc(sc1C)SCC2CC2 62a_100000765934_100000742324 [0,0,0,1,0,1|0,0,2]=4 542 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [0,0,1,0,1,0|2,0,0]=4 543 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [0,0,1,0,1,0|1,1,0]=4 544 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000225621_100000731052 [0,0,1,0,1,0|2,0,0]=4 545 B9R0.23 CCN(C)C(C)CC(C)C 2230a_100000745462_100000210202 [0,0,1,0,1,0|2,0,0]=4 546 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000225621_100000731052 [0,0,1,0,1,0|2,0,0]=4 547 B9R0.23 CCN(C)C(C)CC(C)C 269982a_100000745462_100000204670 [0,0,1,0,1,0|2,0,0]=4 548 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [0,0,1,0,1,0|2,0,0]=4 549 B9R0.7 CC(=NNC(C)C)C(C)C 4a_100000741168_100000211110 [0,0,1,0,1,0|2,0,0]=4 550 B9R0.7 CC(=NNC(C)C)C(C)O 4a_100000741168_100000212229 [0,0,1,0,1,0|1,1,0]=4 551 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,1,0,1,0|1,0,0]=3 552 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,0,1,0,1,0|2,0,0]=4 553 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,0,1,0,1,0|2,0,0]=4 554 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,0,1,0,1,0|2,0,0]=4 555 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,0,1,0,1,0|1,1,0]=4 556 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,0,1,0,1,0|1,0,0]=3 557 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,0,1,0,1,0|1,0,0]=3 558 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,0,1,0,1,0|2,0,0]=4 559 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,0,1,0,1,0|2,0,0]=4 560 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,0,1,0,1,0|2,0,0]=4 561 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,0,1,0,1,0|2,0,0]=4 562 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,0,1,0,1,0|2,0,0]=4 563 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,0,1,0,1,0|2,0,0]=4 564 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,0,1,0,1,0|2,0,0]=4 565 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,0,1,0,1,0|2,0,0]=4 566 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,0,1,0,1,0|2,0,0]=4 567 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,0,1,0,1,0|2,0,0]=4 568 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,0,1,0,1,0|2,0,0]=4 569 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,0,1,0,1,0|1,1,0]=4 570 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,0,1,0,1,0|1,1,0]=4 571 B9R0.7 CC(C)CCC(C)N(C)C 2230a_100102631434_100011261404 [0,0,1,0,1,0|2,0,0]=4 572 B9R0.7 CC(C)CCC(C)N(C)C 269982a_100102631434_100011261404 [0,0,1,0,1,0|2,0,0]=4 573 B9R0.7 CC(C)CCC(C)N(C)C 270004a_100102631434_100000210476 [0,0,1,0,1,0|2,0,0]=4 574 B9R0.7 CC(C)CCN(C)C(C)C 2230a_100000742789_100000210206 [0,0,1,0,1,0|2,0,0]=4 575 B9R0.7 CC(C)CCN(C)C(C)C 269982a_100000742789_100000210206 [0,0,1,0,1,0|2,0,0]=4 576 B9R0.7 CC(C)CCN(C)C(C)C 269982a_200000211004_100000210312 [0,0,1,0,1,0|2,0,0]=4 577 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [0,0,1,0,1,0|1,0,1]=4 578 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [0,0,1,0,1,0|1,0,1]=4 579 B9R1.53 CC(C)CC1CN(C1)C 2230a_214813039686_200000210301 [1,0,0,0,1,0|2,0,0]=4 580 B9R1.53 CC(C)CC1CN(C1)C 269982a_214813039686_200000210301 [1,0,0,0,1,0|2,0,0]=4 581 B9R1.53 CC(C)CC1CN(C1)C 34a_214813039686_200000210301 [1,0,0,0,1,0|2,0,0]=4 582 B9R1.53 CC(C)CC1CN(C1)[13CH3] 2230a_214813039686_200025704644 [1,0,0,0,1,0|2,0,0]=4 583 B9R1.53 CC(C)CC1CN(C1)[13CH3] 269982a_214813039686_200025704644 [1,0,0,0,1,0|2,0,0]=4 584 B9R1.53 CC(C)CC1CN(C1)[13CH3] 34a_214813039686_200025704644 [1,0,0,0,1,0|2,0,0]=4 585 B11R0.93 C=CC(C)SC(C)CCC(C)C 62a_100011215867_100011261404 [0,0,1,0,0,1|1,0,1]=4 586 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100000758301_100011261404 [0,0,1,0,0,1|1,0,1]=4 587 B11R0.93 CCC(C)SC(C)CCC(C)C 62a_100011261404_100000758301 [0,0,1,0,0,1|1,0,1]=4 588 B11R0.93 COC(C)SC(C)CCC(C)C 62a_100009879195_100011261404 [0,0,1,0,0,1|2,0,0]=4 589 B11R0.93 COC(C)SC(C)CCC(C)C 62a_100011261404_100009879195 [0,0,1,0,0,1|2,0,0]=4 590 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000731052_100000748023 [0,0,1,0,0,1|1,0,1]=4 591 B11R0.107 CCC(C)CSC(C)CC(C)C 62a_100000748023_100000731052 [0,0,1,0,0,1|1,0,1]=4 592 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100000731052_100009816398 [0,0,1,0,0,1|1,0,1]=4 593 B11R0.107 CC[C@H](C)CSC(C)CC(C)C 62a_100009816398_100000731052 [0,0,1,0,0,1|1,0,1]=4 594 B11R0.280 C/C=C/C(CCC)OCC(C)C 34a_200016264281_100000210624 [0,0,1,0,0,1|2,0,0]=4 595 B11R0.280 C/C=C/C(CCC)OCC(C)C 7a_200016264281_100000210760 [0,0,1,0,0,1|2,0,0]=4 596 B11R0.6 CC(=CC(C)OCCC(C)C)C 34a_100000717055_100000210312 [0,0,1,0,0,1|1,1,0]=4 597 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,0,1,0,0,1|2,0,0]=4 598 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,0,1,0,0,1|2,0,0]=4 599 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,0,1,0,0,1|2,0,0]=4 600 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,0,1,0,0,1|2,0,0]=4 601 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100000210312_100009818208 [0,0,1,0,0,1|1,0,0]=3 602 B11R0.6 CC(=O)OC(C)SCCC(C)C 62a_100009818208_100000210312 [0,0,1,0,0,1|1,0,0]=3 603 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100009818208_100012276601 [0,0,1,0,0,1|2,0,0]=4 604 B11R0.6 CC(=O)OC(C)SCCC(C)O 62a_100012276601_100009818208 [0,0,1,0,0,1|2,0,0]=4 605 B11R0.6 CC(=O)OC(C)SCCN(C)C 62a_100009818208_100000755713 [0,0,1,0,0,1|2,0,0]=4 606 B11R0.6 CC(=O)OC(C)SCOC(C)C 62a_100000709892_100009818208 [0,0,1,0,0,1|2,0,0]=4 607 B11R0.6 CC(=O)OC(C)SCOC(C)C 62a_100009818208_100000709892 [0,0,1,0,0,1|2,0,0]=4 608 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000210312_100000731052 [0,0,1,0,0,1|1,0,1]=4 609 B11R0.6 CC(C)CCSC(C)CC(C)C 62a_100000731052_100000210312 [0,0,1,0,0,1|1,0,1]=4 610 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100000210312_100020606517 [0,0,1,0,0,1|2,0,0]=4 611 B11R0.6 CC(C)CCSC(C)CN(C)C 62a_100020606517_100000210312 [0,0,1,0,0,1|2,0,0]=4 612 B11R0.29 C=C(C)C(C)NCCCC(C)C 269862a_200000737386_100011216138 [0,0,1,0,0,1|2,0,0]=4 613 B11R0.29 C=C(C)C(C)NCCOC(C)C 269862a_100000701111_100011216138 [0,0,1,0,0,1|2,0,0]=4 614 B11R0.29 C=C(C)C(C)NCCSC(C)C 269862a_100000731138_100011216138 [0,0,1,0,0,1|2,0,0]=4 615 B11R0.29 CC(=O)C(C)COCCC(C)C 34a_100000032740_100000210312 [0,0,1,0,0,1|1,1,0]=4 616 B11R0.29 CC(=O)C(C)COCCC(C)C 7a_100000032740_100000210626 [0,0,1,0,0,1|1,1,0]=4 617 B11R0.29 CC(=O)C(C)NCCCC(C)C 2230a_200000737386_100009814033 [0,0,1,0,0,1|2,0,0]=4 618 B11R0.29 CC(=O)C(C)NCCOC(C)C 2230a_100000701111_100009814033 [0,0,1,0,0,1|2,0,0]=4 619 B11R0.29 CC(=O)C(C)NCCSC(C)C 2230a_100000731138_100009814033 [0,0,1,0,0,1|2,0,0]=4 620 B11R0.29 CC(=O)C(C)OCCCC(C)C 34a_100000212229_100011214892 [0,0,1,0,0,1|1,1,0]=4 621 B11R0.29 CC(=O)C(C)OCCCC(C)C 7a_100000210774_100000179758 [0,0,1,0,0,1|1,1,0]=4 622 B11R0.29 CC(=O)C(C)OCCOC(C)C 34a_100000212229_100000211751 [0,0,1,0,0,1|1,1,0]=4 623 B11R0.29 CC(=O)C(C)OCCOC(C)C 7a_100000211219_100000179758 [0,0,1,0,0,1|1,1,0]=4 624 B11R0.29 CC(=O)C(C)OCCSC(C)C 34a_100000212229_100000730970 [0,0,1,0,0,1|1,1,0]=4 625 B11R0.29 CC(=O)C(C)OCCSC(C)C 7a_200011212901_100000179758 [0,0,1,0,0,1|1,1,0]=4 626 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100009814033_100011217483 [0,0,1,0,0,1|1,0,1]=4 627 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100011217483_100009814033 [0,0,1,0,0,1|1,0,1]=4 628 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100009814033_100011214892 [0,0,1,0,0,1|1,0,0]=3 629 B11R0.29 CC(=O)C(C)SCCCC(C)C 62a_100011214892_100009814033 [0,0,1,0,0,1|1,0,0]=3 630 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_100009814033_200000718107 [0,0,1,0,0,1|2,0,0]=4 631 B11R0.29 CC(=O)C(C)SCCCC(C)O 62a_200000718107_100009814033 [0,0,1,0,0,1|2,0,0]=4 632 B11R0.29 CC(=O)C(C)SCCCN(C)C 62a_100009814033_100000757444 [0,0,1,0,0,1|2,0,0]=4 633 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100000211751_100009814033 [0,0,1,0,0,1|1,0,0]=3 634 B11R0.29 CC(=O)C(C)SCCOC(C)C 62a_100009814033_100000211751 [0,0,1,0,0,1|1,0,0]=3 635 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100000730970_100009814033 [0,0,1,0,0,1|1,0,0]=3 636 B11R0.29 CC(=O)C(C)SCCSC(C)C 62a_100009814033_100000730970 [0,0,1,0,0,1|1,0,0]=3 637 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100000702099_100011214892 [0,0,1,0,0,1|1,0,1]=4 638 B11R0.29 CC(C)CCCSC(C)C(=O)N 62a_100011214892_100000702099 [0,0,1,0,0,1|1,0,1]=4 639 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000211751_100000702099 [0,0,1,0,0,1|1,0,1]=4 640 B11R0.29 CC(C)OCCSC(C)C(=O)N 62a_100000702099_100000211751 [0,0,1,0,0,1|1,0,1]=4 641 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000702099_100000730970 [0,0,1,0,0,1|1,0,1]=4 642 B11R0.29 CC(C)SCCSC(C)C(=O)N 62a_100000730970_100000702099 [0,0,1,0,0,1|1,0,1]=4 643 B11R1.75 Cc1cnc(s1)CNC(C)C 207a_100138425928_100011361622 [1,0,0,0,0,1|0,0,2]=4 644 B11R1.75 Cc1cnc(s1)SCC(C)C 62a_100000210624_100000690809 [1,0,0,0,0,1|0,0,2]=4 645 B11R1.75 Cc1cnc(s1)SCC(C)C 62a_100000690809_100000210760 [1,0,0,0,0,1|0,0,2]=4 646 B11R1.75 Cc1csc(n1)CNC(C)C 207a_100138425928_100000756994 [1,0,0,0,0,1|0,0,2]=4 647 B11R1.75 Cc1csc(n1)CNC(C)C 2230a_100015183719_100000210206 [1,0,0,0,0,1|0,0,2]=4 648 B11R1.75 Cc1csc(n1)SCC(C)C 62a_100000210624_100011291629 [1,0,0,0,0,1|0,0,2]=4 649 B11R1.75 Cc1csc(n1)SCC(C)C 62a_100011291629_100000210760 [1,0,0,0,0,1|0,0,2]=4 650 B11R1.75 Cc1nsc(n1)NCC(C)C 27a_100000210953_100000709739 [1,0,0,0,0,1|1,0,1]=4 651 B11R1.75 Cc1nsc(n1)SCC(C)C 62a_100000210624_100000709739 [1,0,0,0,0,1|1,0,1]=4 652 B11R1.75 Cc1nsc(n1)SCC(C)C 62a_100000709739_100000210760 [1,0,0,0,0,1|1,0,1]=4 653 B13R1.3443 Cc1nc(sc1C)C=CCC(C)C 271570a_100016259101_100000765934 [0,0,0,0,0,2|0,0,2]=4 654 B13R1.3443 Cc1nc(sc1C)CCNC(C)C 2230a_100000759773_100000210206 [0,0,0,0,0,2|0,0,2]=4 655 B13R1.3443 Cc1nc(sc1C)CNCC(C)C 207a_100000210953_100011775437 [0,0,0,0,0,2|0,0,2]=4 656 B13R1.3443 Cc1nc(sc1C)CNCC(C)C 2230a_100000210953_100012347604 [0,0,0,0,0,2|0,0,2]=4 657 B13R1.3443 Cc1nc(sc1C)CNCC(C)C 270004a_100000210953_100011775437 [0,0,0,0,0,2|0,0,2]=4 658 B13R1.3443 Cc1nc(sc1C)CNCC(C)C 34a_100000210953_100012347604 [0,0,0,0,0,2|0,0,2]=4 659 B13R1.3443 Cc1nc(sc1C)COCC(C)C 34a_100000210257_100012347604 [0,0,0,0,0,2|0,0,2]=4 660 B13R1.3443 Cc1nc(sc1C)COCC(C)C 7a_100000760949_100000210760 [0,0,0,0,0,2|0,0,2]=4 661 B13R1.3443 Cc1nc(sc1C)CSCC(C)C 62a_100000210624_100012347604 [0,0,0,0,0,2|0,0,2]=4 662 B13R1.3443 Cc1nc(sc1C)CSCC(C)C 62a_100000763442_100000210760 [0,0,0,0,0,2|0,0,2]=4 663 B13R1.3443 Cc1nc(sc1C)NCCC(C)C 27a_100000210545_100000765934 [0,0,0,0,0,2|0,0,2]=4 664 B13R1.3443 Cc1nc(sc1C)SCCC(C)C 62a_100000210312_100000765934 [0,0,0,0,0,2|0,0,2]=4 665 B13R1.3443 Cc1nc(sc1C)SCCC(C)C 62a_100000765934_100000210312 [0,0,0,0,0,2|0,0,2]=4 666 B13R1.3443 Cc1nc(sc1C)SCOC(C)C 62a_100000709892_100000765934 [0,0,0,0,0,2|0,0,2]=4 667 B13R1.3443 Cc1nc(sc1C)SCOC(C)C 62a_100000765934_100000709892 [0,0,0,0,0,2|0,0,2]=4