0 B12R1.101 CC(=Cc1cc(=O)[nH]c(=O)[nH]1)C 271570a_100102525489_100000015670 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.101 CC(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200000210301 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.101 CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000070787_100000185147 [0,0,0,0,0,0|1,0,2]=3 3 B12R1.101 CC(C)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100138425928_100000015670 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.101 CC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100000210206_100000015670 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.101 [13CH3]C(=O)CC1CC(=O)NC(=O)C1 1458a_100000049033_200025704644 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.34 C=C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100015277604_100000015670 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.34 CC=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100016259895_100000015670 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.34 CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100015525214_100000015670 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.34 CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210202_100000015670 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.34 O=c1cc([nH]c(=O)[nH]1)SCF 62a_100015361967_100000015670 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.56 CSc1nc(=O)cc([nH]1)CC(=O)C 1458a_100000070787_100000016186 [0,1,0,0,0,0|1,1,1]=4 12 B13R1.2816 CC(=Cc1[nH]c(=O)[nH]c(=O)c1C)C 271570a_100102525489_200009866310 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.2816 CC(=Cc1cc(=O)[nH]c(=O)n1C)C 271570a_100102525489_100000093302 [0,1,0,0,0,0|2,0,1]=4 14 B13R1.2816 CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000070787_200000042301 [0,1,0,0,0,0|1,0,0]=2 15 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_100102631434_200000042301 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.2816 CN(C)Cc1[nH]c(=O)[nH]c(=O)c1Cl 269982a_100102631434_200000042301 [0,1,0,0,0,0|3,0,0]=4 17 B13R1.2874 C#CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000211873_100000185147 [0,1,0,0,0,0|1,0,2]=4 18 B13R1.2874 C=CC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000185746_100000185147 [0,1,0,0,0,0|1,0,2]=4 19 B13R1.2874 CC(CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100012180447_100000015670 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.2874 CCC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000210414_100000185147 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.2874 COC(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100009879195_100000015670 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.2874 C[C@H](CO)Nc1cc(=O)[nH]c(=O)[nH]1 27a_100000737577_100000015670 [0,1,0,0,0,0|2,0,1]=4 23 B13R1.2874 C[C@H](CO)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100016084084_100000015670 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.2874 O=C(CO)Cc1cc(=O)[nH]c(n1)O 1458a_100000210174_100000185147 [0,1,0,0,0,0|0,0,2]=3 25 B13R1.3423 CC(=C(C)c1cc(=O)[nH]c(=O)[nH]1)C 271570a_200000049429_100000015670 [0,1,0,0,0,0|2,0,1]=4 26 B13R1.3763 CC(=Cc1cc(=O)n(c(=O)[nH]1)C)C 271570a_100102525489_100000723047 [0,1,0,0,0,0|2,0,1]=4 27 B11R0.6 CC(=O)CCOC(=O)NC(=O)N 1458a_100000070787_100000054987 [0,0,1,0,0,0|2,0,1]=4 28 B11R0.6 CC(=O)NC(=O)CNCC(=O)O 269956a_100016091260_100000183797 [0,0,1,0,0,0|2,0,1]=4 29 B11R0.6 NC(=O)CNCC(=O)NC(=O)N 2230a_100000711301_100000182717 [0,0,1,0,0,0|2,0,1]=4 30 B11R0.6 NC(=O)CSCC(=O)NC(=O)N 62a_100000747473_100000182717 [0,0,1,0,0,0|2,0,1]=4 31 B11R0.6 NC(=O)NC(=O)CSCC(=O)[O-] 62a_100020667443_100000182717 [0,0,1,0,0,0|1,0,2]=4 32 B13R2.5397 O=c1[nH]c(=O)c2nc([nH]c2[nH]1)O 271570a_203496583355_100010005409 [0,0,0,1,0,0|2,0,0]=3 33 B11R1.74 C=C(C)c1cc(=O)[nH]c(=O)[nH]1 271570a_100000694244_100000015670 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.74 CC(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200000210301 [0,0,0,0,1,0|1,0,2]=4 35 B11R1.74 CN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100102631434_100000015670 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.74 [13CH3]C(=O)[C@@H]1CC(=O)NC(=O)N1 1458a_100000732592_200025704644 [0,0,0,0,1,0|1,0,2]=4 37 B11R1.645 CC(=O)C=C1SC(=O)NC1=O 1458a_200020603252_200000210301 [0,0,0,0,1,0|2,0,1]=4 38 B11R1.645 CC(=O)CC1NC(=O)NC1=O 1458a_100000187923_200000210301 [0,0,0,0,1,0|1,0,1]=3 39 B11R1.645 CC(=O)CN1CC(=O)NC1=O 1458a_100000754098_200000210301 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.645 [13CH3]C(=O)C=C1SC(=O)NC1=O 1458a_200020603252_200025704644 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.645 [13CH3]C(=O)CC1NC(=O)NC1=O 1458a_100000187923_200025704644 [0,0,0,0,1,0|1,0,1]=3 42 B11R1.645 [13CH3]C(=O)CN1CC(=O)NC1=O 1458a_100000754098_200025704644 [0,0,0,0,1,0|2,0,1]=4 43 B13R1.3420 C=C(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000765925_100000015670 [0,0,0,0,0,1|2,0,0]=3 44 B13R1.3420 C=C(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000748629_100000015670 [0,0,0,0,0,1|2,0,0]=3 45 B13R1.3420 C=C(F)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000042424_100000015670 [0,0,0,0,0,1|2,0,0]=3 46 B13R1.3420 CC(C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210953_100000015670 [0,0,0,0,0,1|2,0,1]=4 47 B13R1.3420 CC(C)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210624_100000015670 [0,0,0,0,0,1|2,0,1]=4 48 B13R1.3420 CC(O)C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_200011019289_100000015670 [0,0,0,0,0,1|1,0,2]=4 49 B13R1.3420 CC(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000210904_100000015670 [0,0,0,0,0,1|1,0,1]=3 50 B13R1.3420 CC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218427_100000015670 [0,0,0,0,0,1|1,0,1]=3 51 B13R1.3420 C[C@@H](O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100009817552_100000015670 [0,0,0,0,0,1|1,0,1]=3 52 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(=O)N 34a_100000039070_100000187820 [0,0,0,0,0,1|3,0,0]=4 53 B13R1.3420 Cc1cc(cc(=O)[nH]1)OCC(=O)[O-] 34a_100000039070_100020667443 [0,0,0,0,0,1|2,0,1]=4 54 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(=O)N 62a_100000747473_100009861981 [0,0,0,0,0,1|3,0,0]=4 55 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(=O)N 62a_100009861981_100000747473 [0,0,0,0,0,1|3,0,0]=4 56 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(=O)[O-] 62a_100009861981_100020667443 [0,0,0,0,0,1|2,0,1]=4 57 B13R1.3420 Cc1cc(cc(=O)[nH]1)SCC(=O)[O-] 62a_100020667443_100009861981 [0,0,0,0,0,1|2,0,1]=4 58 B13R1.3420 NC(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000747473_100000015670 [0,0,0,0,0,1|1,0,0]=2 59 B13R1.3420 O=C([O-])CSc1cc(=O)[nH]c(=O)[nH]1 62a_100020667443_100000015670 [0,0,0,0,0,1|0,0,1]=2 60 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)NCC(F)F 27a_100000765723_100000015670 [0,0,0,0,0,1|2,0,1]=4 61 B13R1.3420 O=c1cc([nH]c(=O)[nH]1)SCC(F)F 62a_100011934356_100000015670 [0,0,0,0,0,1|2,0,1]=4 62 B10R0.6 NC(=O)NC(=O)CSCC=O 62a_200015260668_100000182717 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.8 C=Cc1cc(=O)[nH]c(=O)[nH]1 271570a_100011290941_100000015670 [2,0,0,0,0,0|0,0,1]=3 64 B10R1.8 CNc1cc(=O)[nH]c(=O)[nH]1 27a_100102657272_100000015670 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.8 CSc1cc(=O)[nH]c(=O)[nH]1 62a_200000210301_100000015670 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.8 [13CH3]Sc1cc(=O)[nH]c(=O)[nH]1 62a_200025704644_100000015670 [2,0,0,0,0,0|1,0,1]=4 67 B12R0.241 COC(=O)CSCC(=O)NC(=O)N 62a_100000747449_100000182717 [0,1,1,0,0,0|1,0,1]=4 68 B12R0.241 NC(=O)NC(=O)OCCC(=O)CO 1458a_100000210174_100000054987 [0,1,1,0,0,0|1,0,1]=4 69 B12R1.40 CC=Cc1[nH]c(=O)[nH]c(=O)c1C 271570a_100016259895_200009866310 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.40 CC=Cc1cc(=O)[nH]c(=O)n1C 271570a_100016259895_100000093302 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 2230a_106832991635_200000042301 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.40 CNCc1[nH]c(=O)[nH]c(=O)c1Cl 7a_106832991635_200000042301 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.40 CSCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200000210301_200000042301 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.40 [13CH3]SCc1[nH]c(=O)[nH]c(=O)c1Cl 62a_200025704644_200000042301 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.44 CC=Cc1cc(=O)n(c(=O)[nH]1)C 271570a_100016259895_100000723047 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.100 C#CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000212058_100000015670 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.100 C#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000038162_100000015670 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.100 C=CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100020586998_100000015670 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.100 C=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210623_100000015670 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.100 CC=NNc1cc(=O)[nH]c(=O)[nH]1 4a_100000014984_200000210099 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.100 CCCCc1cc(=O)[nH]c(=O)[nH]1 271570a_100020621405_100000015670 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.100 CCCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000210303_100000015670 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.100 COCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000766300_100000015670 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.100 CSCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218213_100000015670 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.100 Cc1cc(cc(=O)[nH]1)OCC=O 34a_100000039070_200009817547 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.100 Cc1cc(cc(=O)[nH]1)SCC=O 62a_100009861981_200015260668 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.100 Cc1cc(cc(=O)[nH]1)SCC=O 62a_200015260668_100009861981 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.100 N#CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100011215382_100000015670 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.100 O=CCSc1cc(=O)[nH]c(=O)[nH]1 62a_200015260668_100000015670 [1,1,0,0,0,0|0,0,0]=2 90 B12R1.100 O=c1cc([nH]c(=O)[nH]1)NCCO 27a_100000210304_100000015670 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCF 62a_100011217306_100000015670 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.100 O=c1cc([nH]c(=O)[nH]1)SCCO 62a_100000211926_100000015670 [1,1,0,0,0,0|0,0,1]=3 93 B12R1.511 C=C(C)c1[nH]c(=O)[nH]c(=O)c1C 271570a_100000694244_200009866310 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.511 C=C(C)c1cc(=O)[nH]c(=O)n1C 271570a_100000694244_100000093302 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.1005 C=C(C)c1cc(=O)n(c(=O)[nH]1)C 271570a_100000694244_100000723047 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.532 CCC(=O)CC1NC(=O)NC1=O 1458a_100000187923_100000210202 [0,1,0,0,1,0|1,0,1]=4 97 B12R1.532 CNC(=O)CC1NC(=O)NC1=O 527a_100102657272_100000187923 [0,1,0,0,1,0|1,0,1]=4 98 B12R1.532 O=C(CF)CC1NC(=O)NC1=O 1458a_100000187923_100015361967 [0,1,0,0,1,0|1,0,1]=4 99 B14R1.825 C=CC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000730141_100000015670 [0,1,0,0,0,1|1,0,1]=4 100 B14R1.825 CC(=NNc1cc(=O)[nH]c(=O)[nH]1)CO 4a_100000014984_100000211253 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.825 CC(CO)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000744482_100000015670 [0,1,0,0,0,1|1,0,1]=4 102 B14R1.825 CCC(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000747405_100000015670 [0,1,0,0,0,1|1,0,0]=3 103 B14R1.825 CCC(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100011218483_100000015670 [0,1,0,0,0,1|1,0,1]=4 104 B14R1.825 CCC(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100011218378_100000015670 [0,1,0,0,0,1|1,0,1]=4 105 B14R1.825 CNC(=O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000693194_100000015670 [0,1,0,0,0,1|1,0,0]=3 106 B14R1.825 CNC(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000183359_100000015670 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.825 COC(=O)COc1cc([nH]c(=O)c1)C 34a_100000039070_100000747449 [0,1,0,0,0,1|2,0,0]=4 108 B14R1.825 COC(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000747449_100000015670 [0,1,0,0,0,1|0,0,0]=2 109 B14R1.825 COC(=O)CSc1cc([nH]c(=O)c1)C 62a_100000747449_100009861981 [0,1,0,0,0,1|2,0,0]=4 110 B14R1.825 COC(=O)CSc1cc([nH]c(=O)c1)C 62a_100009861981_100000747449 [0,1,0,0,0,1|2,0,0]=4 111 B14R1.825 CO[C@H](C)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100020591295_100000015670 [0,1,0,0,0,1|1,0,1]=4 112 B14R1.825 C[C@@H](CO)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000059175_100000015670 [0,1,0,0,0,1|1,0,1]=4 113 B14R1.825 O=c1cc([nH]c(=O)[nH]1)NC[C@@H](F)CO 27a_100015665980_100000015670 [0,1,0,0,0,1|1,0,1]=4 114 B14R1.825 O=c1cc([nH]c(=O)[nH]1)SCC(O)CO 62a_100011219619_100000015670 [0,1,0,0,0,1|0,0,2]=4 115 B14R1.825 O=c1cc([nH]c(=O)[nH]1)SC[C@@H](O)CF 62a_100015614560_100000015670 [0,1,0,0,0,1|1,0,1]=4 116 B14R1.825 O=c1cc([nH]c(=O)[nH]1)SC[C@@H](O)CO 62a_100009815848_100000015670 [0,1,0,0,0,1|0,0,2]=4 117 B14R1.3150 C=C(C)CNc1[nH]c(=O)[nH]c(=O)c1C 27a_100000765925_200009866310 [0,1,0,0,0,1|2,0,0]=4 118 B14R1.3150 C=C(C)CNc1cc(=O)[nH]c(=O)n1C 27a_100000765925_100000093302 [0,1,0,0,0,1|2,0,0]=4 119 B14R1.3150 C=C(C)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000748629_200009866310 [0,1,0,0,0,1|2,0,0]=4 120 B14R1.3150 C=C(C)CSc1cc(=O)[nH]c(=O)n1C 62a_100000748629_100000093302 [0,1,0,0,0,1|2,0,0]=4 121 B14R1.3150 C=C(F)CSc1[nH]c(=O)[nH]c(=O)c1C 62a_100000042424_200009866310 [0,1,0,0,0,1|2,0,0]=4 122 B14R1.3150 C=C(F)CSc1cc(=O)[nH]c(=O)n1C 62a_100000042424_100000093302 [0,1,0,0,0,1|2,0,0]=4 123 B14R1.3150 CC(O)CNc1cc(=O)[nH]c(=O)n1C 27a_100000210904_100000093302 [0,1,0,0,0,1|1,0,1]=4 124 B14R1.3150 CC(O)CSc1cc(=O)[nH]c(=O)n1C 62a_100011218427_100000093302 [0,1,0,0,0,1|1,0,1]=4 125 B14R1.3150 C[C@@H](O)CSc1cc(=O)[nH]c(=O)n1C 62a_100009817552_100000093302 [0,1,0,0,0,1|1,0,1]=4 126 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)NCC(C)O 27a_100000210904_200009866310 [0,1,0,0,0,1|1,0,1]=4 127 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(=O)N 62a_100000747473_200009866310 [0,1,0,0,0,1|1,0,0]=3 128 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(=O)[O-] 62a_100020667443_200009866310 [0,1,0,0,0,1|0,0,1]=3 129 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SCC(C)O 62a_100011218427_200009866310 [0,1,0,0,0,1|1,0,1]=4 130 B14R1.3150 Cc1c([nH]c(=O)[nH]c1=O)SC[C@@H](C)O 62a_100009817552_200009866310 [0,1,0,0,0,1|1,0,1]=4 131 B14R1.3150 Cn1c(cc(=O)[nH]c1=O)SCC(=O)N 62a_100000747473_100000093302 [0,1,0,0,0,1|1,0,0]=3 132 B14R1.3150 Cn1c(cc(=O)[nH]c1=O)SCC(=O)[O-] 62a_100020667443_100000093302 [0,1,0,0,0,1|0,0,1]=3 133 B14R1.4251 CC(C)(O)CNc1cc(=O)[nH]c(=O)[nH]1 27a_100000751335_100000015670 [0,1,0,0,0,1|1,0,1]=4 134 B14R1.4251 CC(C)(O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000764493_100000015670 [0,1,0,0,0,1|1,0,1]=4 135 B14R1.4251 NS(=O)(=O)CSc1cc(=O)[nH]c(=O)[nH]1 62a_100000741382_100000015670 [0,1,0,0,0,1|1,0,1]=4 136 B14R1.4251 O=c1cc([nH]c(=O)[nH]1)SCS(=O)(=O)[O-] 62a_100009817235_100000015670 [0,1,0,0,0,1|1,0,1]=4 137 B14R1.4252 C=C(C)CN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100000225649_100000015670 [0,1,0,0,0,1|2,0,0]=4 138 B14R1.4252 CC(O)CN(C)c1cc(=O)[nH]c(=O)[nH]1 27a_100000227577_100000015670 [0,1,0,0,0,1|1,0,1]=4 139 B14R1.4252 CN(CC(=O)N)c1cc(=O)[nH]c(=O)[nH]1 27a_100000739694_100000015670 [0,1,0,0,0,1|1,0,0]=3 140 B14R1.4257 CC(=O)C(C)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100009814033_100000015670 [0,1,0,0,0,1|1,0,0]=3 141 B14R1.4257 CC(Sc1cc(=O)[nH]c(=O)[nH]1)C(=O)N 62a_100000702099_100000015670 [0,1,0,0,0,1|1,0,0]=3 142 B14R1.4257 C[C@@H](Nc1cc(=O)[nH]c(=O)[nH]1)C(=O)N 27a_100000119354_100000015670 [0,1,0,0,0,1|1,0,0]=3 143 B14R1.4257 NC(=O)C(F)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100009813875_100000015670 [0,1,0,0,0,1|1,0,0]=3 144 B14R1.4257 O=C([O-])C(F)Sc1cc(=O)[nH]c(=O)[nH]1 62a_100020610796_100000015670 [0,1,0,0,0,1|0,0,1]=3 145 B14R1.15552 C=C(C)CNc1cc(=O)n(c(=O)[nH]1)C 27a_100000765925_100000723047 [0,1,0,0,0,1|2,0,0]=4 146 B14R1.15552 C=C(C)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000211660 [0,1,0,0,0,1|2,0,0]=4 147 B14R1.15552 C=C(C)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000748629_100000723047 [0,1,0,0,0,1|2,0,0]=4 148 B14R1.15552 C=C(F)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000042424_100000723047 [0,1,0,0,0,1|2,0,0]=4 149 B14R1.15552 C=C(F)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100000042424 [0,1,0,0,0,1|2,0,0]=4 150 B14R1.15552 CC(O)CNc1cc(=O)n(c(=O)[nH]1)C 27a_100000210904_100000723047 [0,1,0,0,0,1|1,0,1]=4 151 B14R1.15552 CC(O)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100011218427 [0,1,0,0,0,1|1,0,1]=4 152 B14R1.15552 CC(O)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100011218427_100000723047 [0,1,0,0,0,1|1,0,1]=4 153 B14R1.15552 C[C@@H](O)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100000723047_100009817552 [0,1,0,0,0,1|1,0,1]=4 154 B14R1.15552 C[C@@H](O)CSc1cc(=O)n(c(=O)[nH]1)C 62a_100009817552_100000723047 [0,1,0,0,0,1|1,0,1]=4 155 B14R1.15552 Cn1c(=O)cc([nH]c1=O)SCC(=O)N 62a_100000723047_100000747473 [0,1,0,0,0,1|1,0,0]=3 156 B14R1.15552 Cn1c(=O)cc([nH]c1=O)SCC(=O)N 62a_100000747473_100000723047 [0,1,0,0,0,1|1,0,0]=3 157 B14R1.15552 Cn1c(=O)cc([nH]c1=O)SCC(=O)[O-] 62a_100000723047_100020667443 [0,1,0,0,0,1|0,0,1]=3 158 B14R1.15552 Cn1c(=O)cc([nH]c1=O)SCC(=O)[O-] 62a_100020667443_100000723047 [0,1,0,0,0,1|0,0,1]=3 159 B14R1.15552 Cn1c(=O)cc([nH]c1=O)SC[N+](=O)[O-] 62a_100000723047_100000761209 [0,1,0,0,0,1|1,0,1]=4 160 B14R1.378 CSc1nc(=O)cc([nH]1)CC(=O)CO 1458a_100000210174_100000016186 [0,2,0,0,0,0|0,1,1]=4 161 B14R1.19574 C#CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000211873_200000042301 [0,2,0,0,0,0|1,0,0]=3 162 B14R1.19574 C=CC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000185746_200000042301 [0,2,0,0,0,0|1,0,0]=3 163 B14R1.19574 CCC(=O)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000210414_200000042301 [0,2,0,0,0,0|1,0,0]=3 164 B14R1.19574 O=C(CO)Cc1[nH]c(=O)[nH]c(=O)c1Cl 1458a_100000210174_200000042301 [0,2,0,0,0,0|0,0,0]=2 165 B14R1.952 COCC(=O)Cc1cc(=O)[nH]c(n1)O 1458a_100000210968_100000185147 [0,2,0,0,0,0|0,0,2]=4 166 B14R1.952 O=C(CCO)Cc1cc(=O)[nH]c(n1)O 1458a_100011216618_100000185147 [0,2,0,0,0,0|0,0,2]=4 167 B12R2.2294 O=c1cc([nH]c(=O)[nH]1)C2CC2 271570a_100011220607_100000015670 [1,0,0,1,0,0|1,0,1]=4 168 B14R2.248 O=c1cc([nH]c(=O)[nH]1)SCC2CO2 62a_102125554688_100000015670 [0,0,0,1,0,1|1,0,1]=4 169 B14R2.248 O=c1cc([nH]c(=O)[nH]1)SC[C@@H]2CO2 62a_100000745022_100000015670 [0,0,0,1,0,1|1,0,1]=4 170 B14R2.4353 O=c1cc([nH]c(=O)[nH]1)N2CC(C2)O 27a_100000749847_100000015670 [0,0,0,1,0,1|1,0,1]=4 171 B14R2.8235 O=c1[nH]c(=O)c2cc(ccc2[nH]1)O 271570a_203496583355_100011934062 [0,0,0,1,0,1|1,0,1]=4 172 B14R2.9026 Cn1c(=O)[nH]c(=O)c2c1nc([nH]2)O 271570a_203496583355_100000239299 [0,1,0,1,0,0|2,0,0]=4 173 B14R2.29365 O=c1[nH]c(=O)c2ccc(cc2[nH]1)O 271570a_203496583355_100012351534 [0,1,0,1,0,0|1,0,1]=4 174 B14R2.29365 O=c1[nH]c(=O)c2ccc(nc2[nH]1)O 271570a_203496583355_100000117996 [0,1,0,1,0,0|2,0,0]=4 175 B10R1.54 CC(=O)Cc1n[nH]c(=O)[nH]1 1458a_100000070787_100000754189 [1,0,0,0,1,0|2,0,0]=4 176 B12R0.270 CC(=O)NC(=O)CNOCC(=O)O 269956a_100000106656_100000183797 [0,0,1,0,0,1|1,0,1]=4 177 B12R0.270 NC(=O)NC(=O)CCNCC(=O)O 269956a_100016091260_100000237605 [0,0,1,0,0,1|0,0,2]=4 178 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 11a_100000696482_100015343762 [1,0,0,0,0,1|2,0,0]=4 179 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 1626a_100000696482_100015343762 [1,0,0,0,0,1|2,0,0]=4 180 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 240690a_100000696482_100015343762 [1,0,0,0,0,1|2,0,0]=4 181 B12R1.226 CC(=O)NCc1cccc(=O)[nH]1 527a_100000696482_100103153847 [1,0,0,0,0,1|2,0,0]=4 182 B12R1.226 NC(=O)COc1cc[nH]c(=O)c1 34a_100000032262_100000187820 [1,0,0,0,0,1|2,0,0]=4 183 B12R1.226 NC(=O)COc1cccc(=O)[nH]1 34a_100000033347_100000187820 [1,0,0,0,0,1|2,0,0]=4 184 B12R1.226 NC(=O)CSc1cc(=O)[nH]cn1 62a_100012002517_100000747473 [1,0,0,0,0,1|1,0,1]=4 185 B12R1.226 NC(=O)CSc1cc(=O)cc[nH]1 62a_100009817434_100000747473 [1,0,0,0,0,1|2,0,0]=4 186 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100000747473_100009816521 [1,0,0,0,0,1|2,0,0]=4 187 B12R1.226 NC(=O)CSc1cc[nH]c(=O)c1 62a_100009816521_100000747473 [1,0,0,0,0,1|2,0,0]=4 188 B12R1.226 NC(=O)CSc1cc[nH]c(=O)n1 62a_100000747473_200000134032 [1,0,0,0,0,1|1,0,1]=4 189 B12R1.226 NC(=O)CSc1cccc(=O)[nH]1 62a_100000747473_100000752884 [1,0,0,0,0,1|2,0,0]=4 190 B12R1.226 O=C([O-])COc1cc[nH]c(=O)c1 34a_100000032262_100020667443 [1,0,0,0,0,1|1,0,1]=4 191 B12R1.226 O=C([O-])COc1cccc(=O)[nH]1 34a_100000033347_100020667443 [1,0,0,0,0,1|1,0,1]=4 192 B12R1.226 O=C([O-])CSc1cc(=O)[nH]cn1 62a_100012002517_100020667443 [1,0,0,0,0,1|0,0,2]=4 193 B12R1.226 O=C([O-])CSc1cc(=O)cc[nH]1 62a_100009817434_100020667443 [1,0,0,0,0,1|1,0,1]=4 194 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100009816521_100020667443 [1,0,0,0,0,1|1,0,1]=4 195 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)c1 62a_100020667443_100009816521 [1,0,0,0,0,1|1,0,1]=4 196 B12R1.226 O=C([O-])CSc1cc[nH]c(=O)n1 62a_100020667443_200000134032 [1,0,0,0,0,1|0,0,2]=4 197 B12R1.226 O=C([O-])CSc1cccc(=O)[nH]1 62a_100020667443_100000752884 [1,0,0,0,0,1|1,0,1]=4 198 B12R1.233 CC(=O)Cc1c[nH]c(=O)[nH]c1=O 1458a_100000070787_100000035367 [0,0,0,0,1,1|1,0,0]=3 199 B12R1.233 CC(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200000210301 [0,0,0,0,1,1|2,0,0]=4 200 B12R1.233 [13CH3]C(=O)Cn1ccc(=O)[nH]c1=O 1458a_100000212167_200025704644 [0,0,0,0,1,1|2,0,0]=4 201 B14R1.4250 C=C(C)CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000730704_100000015670 [0,0,0,0,0,2|2,0,0]=4 202 B14R1.4250 CC(=CCNc1cc(=O)[nH]c(=O)[nH]1)C 27a_100000718196_100000015670 [0,0,0,0,0,2|2,0,0]=4 203 B14R1.4250 CC(=CCSc1cc(=O)[nH]c(=O)[nH]1)C 62a_100000761012_100000015670 [0,0,0,0,0,2|2,0,0]=4 204 B14R1.4250 CC(=O)CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000053229_100000015670 [0,0,0,0,0,2|1,0,0]=3 205 B14R1.4250 CC(=O)OCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000076356_100000015670 [0,0,0,0,0,2|1,0,0]=3 206 B14R1.4250 CC(O)CCNc1cc(=O)[nH]c(=O)[nH]1 27a_200000755665_100000015670 [0,0,0,0,0,2|1,0,1]=4 207 B14R1.4250 CC(O)CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100012276601_100000015670 [0,0,0,0,0,2|1,0,1]=4 208 B14R1.4250 NC(=O)CCNc1cc(=O)[nH]c(=O)[nH]1 27a_100000740010_100000015670 [0,0,0,0,0,2|1,0,0]=3 209 B14R1.4250 NC(=O)CCSc1cc(=O)[nH]c(=O)[nH]1 62a_100000744528_100000015670 [0,0,0,0,0,2|1,0,0]=3 210 B14R1.4250 O=C(O)CNCc1cc(=O)[nH]c(n1)O 269956a_100016091260_100000185147 [0,0,0,0,0,2|0,0,2]=4