0 B12R1.270 C#Cc1ccc(c(c1)NCC)C 2230a_100012022948_100000210202 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.270 C#Cc1ccc(c(c1)NCC)C 34a_100012022948_100000210202 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.270 C#Cc1ccc(c(c1)NCC)C 7a_100012022948_100000210202 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.270 C#Cc1ccc(c(c1)NCC)F 34a_100000100531_100000210202 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.270 C=C=Cc1cc(ccc1Br)C=O 271570a_100015277604_100010146563 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.270 C=C=Cc1cc(ccc1C)C=O 271570a_100015277604_100000695567 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.270 C=C=Cc1cc(ccc1Cl)C=O 271570a_100015277604_100010209939 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.270 C=C=Cc1cc(ccc1F)C=O 271570a_100015277604_100000211747 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.270 C=C=Cc1cc(ccc1O)C=O 271570a_100015277604_100000184552 [0,0,0,0,0,0|1,0,2]=3 9 B12R1.270 C=C=Cc1cc(cnc1O)C=O 271570a_100015277604_100010064886 [0,0,0,0,0,0|2,0,2]=4 10 B12R1.270 C=Cc1cc(c(cn1)N)OCC 271570a_100011290941_100015764953 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.270 C=Cc1ccc(c(c1)CNC)C 271570a_100011290941_106744473289 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.270 C=Cc1ccc(c(c1)CNC)F 271570a_100011290941_100000748472 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.270 C=Cc1ccc(c(c1)CNC)O 271570a_100011290941_100011602694 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.270 C=Cc1ccc(c(c1)COC)Br 271570a_100011290941_202125822959 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.270 C=Cc1ccc(c(c1)COC)F 271570a_100011290941_100010140362 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.270 C=Cc1ccc(c(c1)NCC)N 271570a_100011290941_100000696630 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.270 C=Cc1ccc(c(c1)OCC)C 271570a_100011290941_100012361169 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.270 C=Cc1ccc(c(c1)OCC)F 271570a_100011290941_200012344967 [0,0,0,0,0,0|2,0,0]=2 19 B12R1.270 C=Cc1ccc(c(c1)OCC)N 271570a_100011290941_100000688918 [0,0,0,0,0,0|2,0,0]=2 20 B12R1.270 C=Cc1cnc(c(c1)OCC)F 271570a_100011290941_100010732568 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.270 C=Cc1cnc(c(n1)OCC)N 271570a_100011290941_200010196039 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.270 CC=Cc1cc(ccc1Br)C=O 271570a_100016259895_100010146563 [0,0,0,0,0,0|2,0,1]=3 23 B12R1.270 CC=Cc1cc(ccc1C)C=O 271570a_100016259895_100000695567 [0,0,0,0,0,0|2,0,1]=3 24 B12R1.270 CC=Cc1cc(ccc1Cl)C=O 271570a_100016259895_100010209939 [0,0,0,0,0,0|2,0,1]=3 25 B12R1.270 CC=Cc1cc(ccc1F)C=O 271570a_100016259895_100000211747 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.270 CC=Cc1cc(ccc1O)C#N 271570a_100016259895_100000725478 [0,0,0,0,0,0|2,0,2]=4 27 B12R1.270 CC=Cc1cc(ccc1O)C=O 271570a_100016259895_100000184552 [0,0,0,0,0,0|1,0,1]=2 28 B12R1.270 CC=Cc1cc(ccc1O)CC 271570a_100016259895_100012339963 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.270 CC=Cc1cc(ccc1O)CO 271570a_100016259895_100011191544 [0,0,0,0,0,0|1,0,3]=4 30 B12R1.270 CC=Cc1cc(ccc1O)OC 271570a_100016259895_100000685887 [0,0,0,0,0,0|3,0,1]=4 31 B12R1.270 CC=Cc1cc(cnc1N)C=O 271570a_100016259895_100010064899 [0,0,0,0,0,0|3,0,1]=4 32 B12R1.270 CC=Cc1cc(cnc1O)C=O 271570a_100016259895_100010064886 [0,0,0,0,0,0|2,0,1]=3 33 B12R1.270 CC=Cc1cc(ncc1C)C=O 271570a_100016259895_100010174032 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.270 CCNc1cc(ccc1Br)C#N 34a_100012001879_100000210202 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.270 CCNc1cc(ccc1Br)C#N 7a_100012001879_100000210202 [0,0,0,0,0,0|3,0,1]=4 36 B12R1.270 CCNc1cc(ccc1Br)CO 34a_100012347568_100000210202 [0,0,0,0,0,0|2,0,2]=4 37 B12R1.270 CCNc1cc(ccc1Br)OC 34a_100000748603_100000210202 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.270 CCNc1cc(ccc1C)C#N 34a_100000748024_100000210202 [0,0,0,0,0,0|3,0,1]=4 39 B12R1.270 CCNc1cc(ccc1C)C#N 7a_100000748024_100000210202 [0,0,0,0,0,0|3,0,1]=4 40 B12R1.270 CCNc1cc(ccc1C)CC 2230a_200012022522_100000210202 [0,0,0,0,0,0|3,0,1]=4 41 B12R1.270 CCNc1cc(ccc1C)CC 34a_200012022522_100000210202 [0,0,0,0,0,0|3,0,1]=4 42 B12R1.270 CCNc1cc(ccc1C)CC 7a_200012022522_100000210202 [0,0,0,0,0,0|3,0,1]=4 43 B12R1.270 CCNc1cc(ccc1C)CO 2230a_100000758420_100000210202 [0,0,0,0,0,0|2,0,2]=4 44 B12R1.270 CCNc1cc(ccc1C)CO 34a_100000758420_100000210202 [0,0,0,0,0,0|2,0,2]=4 45 B12R1.270 CCNc1cc(ccc1C)OC 2230a_100000760359_100000210202 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000211784_200000210301 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.270 CCNc1cc(ccc1C)OC 34a_100000760359_100000210202 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.270 CCNc1cc(ccc1C)OC 7a_100000211784_200000210301 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 34a_100000211784_200025704644 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.270 CCNc1cc(ccc1C)O[13CH3] 7a_100000211784_200025704644 [0,0,0,0,0,0|4,0,0]=4 51 B12R1.270 CCNc1cc(ccc1Cl)C#N 34a_100000766345_100000210202 [0,0,0,0,0,0|3,0,1]=4 52 B12R1.270 CCNc1cc(ccc1Cl)C#N 7a_100000766345_100000210202 [0,0,0,0,0,0|3,0,1]=4 53 B12R1.270 CCNc1cc(ccc1Cl)CO 34a_106256033963_100000210202 [0,0,0,0,0,0|2,0,2]=4 54 B12R1.270 CCNc1cc(ccc1Cl)OC 34a_100000745576_100000210202 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.270 CCNc1cc(ccc1F)C#N 34a_100011934650_100000210202 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.270 CCNc1cc(ccc1F)C#N 7a_100011934650_100000210202 [0,0,0,0,0,0|3,0,1]=4 57 B12R1.270 CCNc1cc(ccc1F)CO 2230a_102125399562_100000210202 [0,0,0,0,0,0|2,0,2]=4 58 B12R1.270 CCNc1cc(ccc1F)CO 34a_102125399562_100000210202 [0,0,0,0,0,0|2,0,2]=4 59 B12R1.270 CCNc1cc(ccc1F)OC 34a_100000764331_100000210202 [0,0,0,0,0,0|4,0,0]=4 60 B12R1.270 CCNc1cc(ccc1I)C#N 34a_200012349464_100000210202 [0,0,0,0,0,0|3,0,1]=4 61 B12R1.270 CCNc1cc(ccc1I)C#N 7a_200012349464_100000210202 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.270 CCNc1cc(ccc1I)OC 34a_100000748021_100000210202 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.270 CCNc1cc(ccc1N)SC 62a_100000696630_200000210301 [0,0,0,0,0,0|4,0,0]=4 64 B12R1.270 CCNc1cc(ccc1N)SC 62a_200000210301_100000696630 [0,0,0,0,0,0|4,0,0]=4 65 B12R1.270 CCNc1cc(ccc1N)S[13CH3] 62a_100000696630_200025704644 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.270 CCNc1cc(ccc1N)S[13CH3] 62a_200025704644_100000696630 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.270 CCNc1cc(ccc1O)C#N 34a_100000766272_100000210202 [0,0,0,0,0,0|2,0,1]=3 68 B12R1.270 CCNc1cc(ccc1O)C#N 7a_100000766272_100000210202 [0,0,0,0,0,0|2,0,1]=3 69 B12R1.270 CCNc1cc(ccc1O)CC 34a_100000765835_100000210202 [0,0,0,0,0,0|2,0,1]=3 70 B12R1.270 CCNc1cc(ccc1O)CO 34a_100000123545_100000210202 [0,0,0,0,0,0|1,0,2]=3 71 B12R1.270 CCNc1cc(ccc1O)OC 34a_100000188146_100000210202 [0,0,0,0,0,0|3,0,0]=3 72 B12R1.270 CCOc1cc(ccc1Br)C#N 34a_100009877741_100000210202 [0,0,0,0,0,0|2,0,1]=3 73 B12R1.270 CCOc1cc(ccc1Br)C#N 7a_100009877741_100000210202 [0,0,0,0,0,0|2,0,1]=3 74 B12R1.270 CCOc1cc(ccc1Br)CO 34a_100010191536_100000210202 [0,0,0,0,0,0|1,0,2]=3 75 B12R1.270 CCOc1cc(ccc1Br)CO 7a_100010191536_100000210202 [0,0,0,0,0,0|1,0,2]=3 76 B12R1.270 CCOc1cc(ccc1Br)NC 2230a_200016990551_200000210301 [0,0,0,0,0,0|3,0,0]=3 77 B12R1.270 CCOc1cc(ccc1Br)NC 34a_200016990551_200000210301 [0,0,0,0,0,0|3,0,0]=3 78 B12R1.270 CCOc1cc(ccc1Br)NC 7a_200016990551_200000210301 [0,0,0,0,0,0|3,0,0]=3 79 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 2230a_200016990551_200025704644 [0,0,0,0,0,0|3,0,0]=3 80 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 34a_200016990551_200025704644 [0,0,0,0,0,0|3,0,0]=3 81 B12R1.270 CCOc1cc(ccc1Br)N[13CH3] 7a_200016990551_200025704644 [0,0,0,0,0,0|3,0,0]=3 82 B12R1.270 CCOc1cc(ccc1Br)OC 34a_100000719091_100000210202 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.270 CCOc1cc(ccc1Br)OC 7a_100000719091_100000210202 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.270 CCOc1cc(ccc1C)C#N 34a_100000765541_100000210202 [0,0,0,0,0,0|2,0,1]=3 85 B12R1.270 CCOc1cc(ccc1C)C#N 7a_100000765541_100000210202 [0,0,0,0,0,0|2,0,1]=3 86 B12R1.270 CCOc1cc(ccc1C)OC 34a_100012179981_100000210202 [0,0,0,0,0,0|3,0,0]=3 87 B12R1.270 CCOc1cc(ccc1C)OC 7a_100012179981_100000210202 [0,0,0,0,0,0|3,0,0]=3 88 B12R1.270 CCOc1cc(ccc1C)SC 62a_100012361169_200000210301 [0,0,0,0,0,0|3,0,0]=3 89 B12R1.270 CCOc1cc(ccc1C)SC 62a_200000210301_100012361169 [0,0,0,0,0,0|3,0,0]=3 90 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_100012361169_200025704644 [0,0,0,0,0,0|3,0,0]=3 91 B12R1.270 CCOc1cc(ccc1C)S[13CH3] 62a_200025704644_100012361169 [0,0,0,0,0,0|3,0,0]=3 92 B12R1.270 CCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210202 [0,0,0,0,0,0|2,0,1]=3 93 B12R1.270 CCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210202 [0,0,0,0,0,0|2,0,1]=3 94 B12R1.270 CCOc1cc(ccc1Cl)CN 34a_100020636435_100000210202 [0,0,0,0,0,0|2,0,1]=3 95 B12R1.270 CCOc1cc(ccc1Cl)CO 34a_100009876509_100000210202 [0,0,0,0,0,0|1,0,2]=3 96 B12R1.270 CCOc1cc(ccc1Cl)CO 7a_100009876509_100000210202 [0,0,0,0,0,0|1,0,2]=3 97 B12R1.270 CCOc1cc(ccc1Cl)NC 2230a_100011964961_200000210301 [0,0,0,0,0,0|3,0,0]=3 98 B12R1.270 CCOc1cc(ccc1Cl)NC 34a_100011964961_200000210301 [0,0,0,0,0,0|3,0,0]=3 99 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 2230a_100011964961_200025704644 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.270 CCOc1cc(ccc1Cl)N[13CH3] 34a_100011964961_200025704644 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.270 CCOc1cc(ccc1Cl)OC 34a_100011516019_100000210202 [0,0,0,0,0,0|3,0,0]=3 102 B12R1.270 CCOc1cc(ccc1Cl)OC 7a_100011516019_100000210202 [0,0,0,0,0,0|3,0,0]=3 103 B12R1.270 CCOc1cc(ccc1F)C#N 34a_100000069402_100000210202 [0,0,0,0,0,0|2,0,1]=3 104 B12R1.270 CCOc1cc(ccc1F)C#N 7a_100000069402_100000210202 [0,0,0,0,0,0|2,0,1]=3 105 B12R1.270 CCOc1cc(ccc1F)CN 34a_100160469508_100000210202 [0,0,0,0,0,0|2,0,1]=3 106 B12R1.270 CCOc1cc(ccc1F)CO 34a_100009842347_100000210202 [0,0,0,0,0,0|1,0,2]=3 107 B12R1.270 CCOc1cc(ccc1F)CO 7a_100009842347_100000210202 [0,0,0,0,0,0|1,0,2]=3 108 B12R1.270 CCOc1cc(ccc1F)OC 34a_100012178750_100000210202 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.270 CCOc1cc(ccc1F)OC 7a_100012178750_100000210202 [0,0,0,0,0,0|3,0,0]=3 110 B12R1.270 CCOc1cc(ccc1F)SC 62a_200000210301_200012344967 [0,0,0,0,0,0|3,0,0]=3 111 B12R1.270 CCOc1cc(ccc1F)SC 62a_200012344967_200000210301 [0,0,0,0,0,0|3,0,0]=3 112 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200012344967_200025704644 [0,0,0,0,0,0|3,0,0]=3 113 B12R1.270 CCOc1cc(ccc1F)S[13CH3] 62a_200025704644_200012344967 [0,0,0,0,0,0|3,0,0]=3 114 B12R1.270 CCOc1cc(ccc1I)C#N 34a_100000724445_100000210202 [0,0,0,0,0,0|2,0,1]=3 115 B12R1.270 CCOc1cc(ccc1I)C#N 7a_100000724445_100000210202 [0,0,0,0,0,0|2,0,1]=3 116 B12R1.270 CCOc1cc(ccc1I)CO 34a_100000049605_100000210202 [0,0,0,0,0,0|1,0,2]=3 117 B12R1.270 CCOc1cc(ccc1I)CO 7a_100000049605_100000210202 [0,0,0,0,0,0|1,0,2]=3 118 B12R1.270 CCOc1cc(ccc1I)OC 34a_100010168831_100000210202 [0,0,0,0,0,0|3,0,0]=3 119 B12R1.270 CCOc1cc(ccc1I)OC 7a_100010168831_100000210202 [0,0,0,0,0,0|3,0,0]=3 120 B12R1.270 CCOc1cc(ccc1N)C#N 34a_100011997735_100000210202 [0,0,0,0,0,0|2,0,1]=3 121 B12R1.270 CCOc1cc(ccc1N)C#N 7a_100011997735_100000210202 [0,0,0,0,0,0|2,0,1]=3 122 B12R1.270 CCOc1cc(ccc1N)CC 34a_100000124328_100000210202 [0,0,0,0,0,0|2,0,1]=3 123 B12R1.270 CCOc1cc(ccc1N)CC 7a_100000124328_100000210202 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.270 CCOc1cc(ccc1N)OC 34a_100016989039_100000210202 [0,0,0,0,0,0|3,0,0]=3 125 B12R1.270 CCOc1cc(ccc1N)OC 7a_100016989039_100000210202 [0,0,0,0,0,0|3,0,0]=3 126 B12R1.270 CCOc1cc(ccc1N)SC 62a_100000688918_200000210301 [0,0,0,0,0,0|3,0,0]=3 127 B12R1.270 CCOc1cc(ccc1N)S[13CH3] 62a_100000688918_200025704644 [0,0,0,0,0,0|3,0,0]=3 128 B12R1.270 CCOc1cc(ccc1O)C=O 271570a_203496583355_200010381951 [0,0,0,0,0,0|0,0,0]=0 129 B12R1.270 CCOc1cc(cnc1F)SC 62a_100010732568_200000210301 [0,0,0,0,0,0|4,0,0]=4 130 B12R1.270 CCOc1cc(cnc1F)SC 62a_200000210301_100010732568 [0,0,0,0,0,0|4,0,0]=4 131 B12R1.270 CCOc1cc(cnc1F)S[13CH3] 62a_100010732568_200025704644 [0,0,0,0,0,0|4,0,0]=4 132 B12R1.270 CCOc1cc(cnc1F)S[13CH3] 62a_200025704644_100010732568 [0,0,0,0,0,0|4,0,0]=4 133 B12R1.270 CCOc1cc(ncc1Br)OC 34a_100010738159_100000210202 [0,0,0,0,0,0|4,0,0]=4 134 B12R1.270 CCOc1cc(ncc1N)SC 62a_100015764953_200000210301 [0,0,0,0,0,0|4,0,0]=4 135 B12R1.270 CCOc1cc(ncc1N)SC 62a_200000210301_100015764953 [0,0,0,0,0,0|4,0,0]=4 136 B12R1.270 CCOc1cc(ncc1N)S[13CH3] 62a_100015764953_200025704644 [0,0,0,0,0,0|4,0,0]=4 137 B12R1.270 CCOc1cc(ncc1N)S[13CH3] 62a_200025704644_100015764953 [0,0,0,0,0,0|4,0,0]=4 138 B12R1.270 CCSc1cc(ccc1Br)C#N 62a_100000210202_100012349583 [0,0,0,0,0,0|2,1,1]=4 139 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100000210202_100010146563 [0,0,0,0,0,0|1,1,0]=2 140 B12R1.270 CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210202 [0,0,0,0,0,0|1,1,0]=2 141 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100000210202_100009992028 [0,0,0,0,0,0|3,1,0]=4 142 B12R1.270 CCSc1cc(ccc1Br)OC 62a_100009992028_100000210202 [0,0,0,0,0,0|3,1,0]=4 143 B12R1.270 CCSc1cc(ccc1C)C#N 62a_100000210202_100000690169 [0,0,0,0,0,0|2,1,1]=4 144 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000210202_100000695567 [0,0,0,0,0,0|1,1,0]=2 145 B12R1.270 CCSc1cc(ccc1C)C=O 62a_100000695567_100000210202 [0,0,0,0,0,0|1,1,0]=2 146 B12R1.270 CCSc1cc(ccc1C)CO 62a_100000210202_100000708995 [0,0,0,0,0,0|1,1,2]=4 147 B12R1.270 CCSc1cc(ccc1C)CO 62a_100000708995_100000210202 [0,0,0,0,0,0|1,1,2]=4 148 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000210202_100000707694 [0,0,0,0,0,0|3,1,0]=4 149 B12R1.270 CCSc1cc(ccc1C)NC 62a_100000707694_100000210202 [0,0,0,0,0,0|3,1,0]=4 150 B12R1.270 CCSc1cc(ccc1C)NN 62a_100000210202_100016991967 [0,0,0,0,0,0|3,1,0]=4 151 B12R1.270 CCSc1cc(ccc1C)NN 62a_100016991967_100000210202 [0,0,0,0,0,0|3,1,0]=4 152 B12R1.270 CCSc1cc(ccc1C)OC 62a_100000210202_100012349166 [0,0,0,0,0,0|3,1,0]=4 153 B12R1.270 CCSc1cc(ccc1C)OC 62a_100012349166_100000210202 [0,0,0,0,0,0|3,1,0]=4 154 B12R1.270 CCSc1cc(ccc1Cl)C#N 62a_100000210202_100010199462 [0,0,0,0,0,0|2,1,1]=4 155 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100000210202_100010209939 [0,0,0,0,0,0|1,1,0]=2 156 B12R1.270 CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210202 [0,0,0,0,0,0|1,1,0]=2 157 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100000210202_100011356938 [0,0,0,0,0,0|3,1,0]=4 158 B12R1.270 CCSc1cc(ccc1Cl)OC 62a_100011356938_100000210202 [0,0,0,0,0,0|3,1,0]=4 159 B12R1.270 CCSc1cc(ccc1F)C#N 62a_100000210202_100000188605 [0,0,0,0,0,0|2,1,1]=4 160 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000210202_100000211747 [0,0,0,0,0,0|1,1,0]=2 161 B12R1.270 CCSc1cc(ccc1F)C=O 62a_100000211747_100000210202 [0,0,0,0,0,0|1,1,0]=2 162 B12R1.270 CCSc1cc(ccc1F)CC 62a_100000210202_200010244628 [0,0,0,0,0,0|2,1,1]=4 163 B12R1.270 CCSc1cc(ccc1F)CC 62a_200010244628_100000210202 [0,0,0,0,0,0|2,1,1]=4 164 B12R1.270 CCSc1cc(ccc1F)CN 62a_100000210202_100015193890 [0,0,0,0,0,0|2,1,1]=4 165 B12R1.270 CCSc1cc(ccc1F)CN 62a_100015193890_100000210202 [0,0,0,0,0,0|2,1,1]=4 166 B12R1.270 CCSc1cc(ccc1F)CO 62a_100000210202_100000246287 [0,0,0,0,0,0|1,1,2]=4 167 B12R1.270 CCSc1cc(ccc1F)CO 62a_100000246287_100000210202 [0,0,0,0,0,0|1,1,2]=4 168 B12R1.270 CCSc1cc(ccc1F)NN 62a_100000210202_200025705588 [0,0,0,0,0,0|3,1,0]=4 169 B12R1.270 CCSc1cc(ccc1F)NN 62a_200025705588_100000210202 [0,0,0,0,0,0|3,1,0]=4 170 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000210202_100000699733 [0,0,0,0,0,0|3,1,0]=4 171 B12R1.270 CCSc1cc(ccc1F)OC 62a_100000699733_100000210202 [0,0,0,0,0,0|3,1,0]=4 172 B12R1.270 CCSc1cc(ccc1F)SC 62a_100000210202_200010708804 [0,0,0,0,0,0|3,1,0]=4 173 B12R1.270 CCSc1cc(ccc1F)SC 62a_200010708804_100000210202 [0,0,0,0,0,0|3,1,0]=4 174 B12R1.270 CCSc1cc(ccc1N)C#N 62a_100000210202_100000736769 [0,0,0,0,0,0|2,1,1]=4 175 B12R1.270 CCSc1cc(ccc1N)CC 62a_100000210202_100012339725 [0,0,0,0,0,0|2,1,1]=4 176 B12R1.270 CCSc1cc(ccc1N)CC 62a_100012339725_100000210202 [0,0,0,0,0,0|2,1,1]=4 177 B12R1.270 CCSc1cc(ccc1N)OC 62a_100000210202_100015195136 [0,0,0,0,0,0|3,1,0]=4 178 B12R1.270 CCSc1cc(ccc1N)OC 62a_100015195136_100000210202 [0,0,0,0,0,0|3,1,0]=4 179 B12R1.270 CCSc1cc(ccc1O)C#N 62a_100000210202_100000725478 [0,0,0,0,0,0|1,1,1]=3 180 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000184552_100000210202 [0,0,0,0,0,0|0,1,0]=1 181 B12R1.270 CCSc1cc(ccc1O)C=O 62a_100000210202_100000184552 [0,0,0,0,0,0|0,1,0]=1 182 B12R1.270 CCSc1cc(ccc1O)CC 62a_100000210202_100012339963 [0,0,0,0,0,0|1,1,1]=3 183 B12R1.270 CCSc1cc(ccc1O)CC 62a_100012339963_100000210202 [0,0,0,0,0,0|1,1,1]=3 184 B12R1.270 CCSc1cc(ccc1O)CO 62a_100000210202_100011191544 [0,0,0,0,0,0|0,1,2]=3 185 B12R1.270 CCSc1cc(ccc1O)CO 62a_100011191544_100000210202 [0,0,0,0,0,0|0,1,2]=3 186 B12R1.270 CCSc1cc(ccc1O)OC 62a_100000210202_100000685887 [0,0,0,0,0,0|2,1,0]=3 187 B12R1.270 CCSc1cc(cnc1N)C=O 62a_100000210202_100010064899 [0,0,0,0,0,0|2,1,0]=3 188 B12R1.270 CCSc1cc(cnc1N)C=O 62a_100010064899_100000210202 [0,0,0,0,0,0|2,1,0]=3 189 B12R1.270 CCSc1cc(cnc1O)C#N 62a_100000210202_100009819929 [0,0,0,0,0,0|2,1,1]=4 190 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100000210202_100010064886 [0,0,0,0,0,0|1,1,0]=2 191 B12R1.270 CCSc1cc(cnc1O)C=O 62a_100010064886_100000210202 [0,0,0,0,0,0|1,1,0]=2 192 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100000210202_100010174032 [0,0,0,0,0,0|2,1,0]=3 193 B12R1.270 CCSc1cc(ncc1C)C=O 62a_100010174032_100000210202 [0,0,0,0,0,0|2,1,0]=3 194 B12R1.270 CCSc1nc(ccc1O)CO 62a_100000210202_200000118097 [0,0,0,0,0,0|1,1,2]=4 195 B12R1.270 CCSc1nc(ccc1O)CO 62a_200009817064_100000210202 [0,0,0,0,0,0|1,1,2]=4 196 B12R1.270 CCc1ccc(c(c1)NCF)O 34a_100000765835_100015361967 [0,0,0,0,0,0|3,0,1]=4 197 B12R1.270 CCc1ccc(c(c1)OCF)N 34a_100000124328_100015361967 [0,0,0,0,0,0|3,0,1]=4 198 B12R1.270 CCc1ccc(c(c1)OCF)N 7a_100000124328_100015361967 [0,0,0,0,0,0|3,0,1]=4 199 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100012339963_100015361967 [0,0,0,0,0,0|2,1,1]=4 200 B12R1.270 CCc1ccc(c(c1)SCF)O 62a_100015361967_100012339963 [0,0,0,0,0,0|2,1,1]=4 201 B12R1.270 CNCc1cc(ccc1O)SC 62a_100011602694_200000210301 [0,0,0,0,0,0|4,0,0]=4 202 B12R1.270 CNCc1cc(ccc1O)SC 62a_200000210301_100011602694 [0,0,0,0,0,0|4,0,0]=4 203 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_100011602694_200025704644 [0,0,0,0,0,0|4,0,0]=4 204 B12R1.270 CNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100011602694 [0,0,0,0,0,0|4,0,0]=4 205 B12R1.270 COc1ccc(c(c1)CCO)O 271570a_203496583355_100012259501 [0,0,0,0,0,0|4,0,0]=4 206 B12R1.270 COc1ccc(c(c1)NCF)O 34a_100000188146_100015361967 [0,0,0,0,0,0|4,0,0]=4 207 B12R1.270 COc1ccc(c(c1)OCF)Br 34a_100000719091_100015361967 [0,0,0,0,0,0|4,0,0]=4 208 B12R1.270 COc1ccc(c(c1)OCF)Br 7a_100000719091_100015361967 [0,0,0,0,0,0|4,0,0]=4 209 B12R1.270 COc1ccc(c(c1)OCF)C 34a_100012179981_100015361967 [0,0,0,0,0,0|4,0,0]=4 210 B12R1.270 COc1ccc(c(c1)OCF)C 7a_100012179981_100015361967 [0,0,0,0,0,0|4,0,0]=4 211 B12R1.270 COc1ccc(c(c1)OCF)Cl 34a_100011516019_100015361967 [0,0,0,0,0,0|4,0,0]=4 212 B12R1.270 COc1ccc(c(c1)OCF)Cl 7a_100011516019_100015361967 [0,0,0,0,0,0|4,0,0]=4 213 B12R1.270 COc1ccc(c(c1)OCF)F 34a_100012178750_100015361967 [0,0,0,0,0,0|4,0,0]=4 214 B12R1.270 COc1ccc(c(c1)OCF)F 7a_100012178750_100015361967 [0,0,0,0,0,0|4,0,0]=4 215 B12R1.270 COc1ccc(c(c1)OCF)I 34a_100010168831_100015361967 [0,0,0,0,0,0|4,0,0]=4 216 B12R1.270 COc1ccc(c(c1)OCF)I 7a_100010168831_100015361967 [0,0,0,0,0,0|4,0,0]=4 217 B12R1.270 COc1ccc(c(c1)OCF)N 34a_100016989039_100015361967 [0,0,0,0,0,0|4,0,0]=4 218 B12R1.270 COc1ccc(c(c1)OCF)N 7a_100016989039_100015361967 [0,0,0,0,0,0|4,0,0]=4 219 B12R1.270 COc1ccc(c(c1)SCF)O 62a_100015361967_100000685887 [0,0,0,0,0,0|3,1,0]=4 220 B12R1.270 Cc1ccc(cc1OCF)C#N 34a_100000765541_100015361967 [0,0,0,0,0,0|3,0,1]=4 221 B12R1.270 Cc1ccc(cc1OCF)C#N 7a_100000765541_100015361967 [0,0,0,0,0,0|3,0,1]=4 222 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100000695567_100015361967 [0,0,0,0,0,0|2,1,0]=3 223 B12R1.270 Cc1ccc(cc1SCF)C=O 62a_100015361967_100000695567 [0,0,0,0,0,0|2,1,0]=3 224 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100010174032_100015361967 [0,0,0,0,0,0|3,1,0]=4 225 B12R1.270 Cc1cnc(cc1SCF)C=O 62a_100015361967_100010174032 [0,0,0,0,0,0|3,1,0]=4 226 B12R1.270 N#Cc1ccc(c(c1)NCF)O 34a_100000766272_100015361967 [0,0,0,0,0,0|3,0,1]=4 227 B12R1.270 N#Cc1ccc(c(c1)NCF)O 7a_100000766272_100015361967 [0,0,0,0,0,0|3,0,1]=4 228 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 34a_100009877741_100015361967 [0,0,0,0,0,0|3,0,1]=4 229 B12R1.270 N#Cc1ccc(c(c1)OCF)Br 7a_100009877741_100015361967 [0,0,0,0,0,0|3,0,1]=4 230 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 34a_100012186312_100015361967 [0,0,0,0,0,0|3,0,1]=4 231 B12R1.270 N#Cc1ccc(c(c1)OCF)Cl 7a_100012186312_100015361967 [0,0,0,0,0,0|3,0,1]=4 232 B12R1.270 N#Cc1ccc(c(c1)OCF)F 34a_100000069402_100015361967 [0,0,0,0,0,0|3,0,1]=4 233 B12R1.270 N#Cc1ccc(c(c1)OCF)F 7a_100000069402_100015361967 [0,0,0,0,0,0|3,0,1]=4 234 B12R1.270 N#Cc1ccc(c(c1)OCF)I 34a_100000724445_100015361967 [0,0,0,0,0,0|3,0,1]=4 235 B12R1.270 N#Cc1ccc(c(c1)OCF)I 7a_100000724445_100015361967 [0,0,0,0,0,0|3,0,1]=4 236 B12R1.270 N#Cc1ccc(c(c1)OCF)N 34a_100011997735_100015361967 [0,0,0,0,0,0|3,0,1]=4 237 B12R1.270 N#Cc1ccc(c(c1)OCF)N 7a_100011997735_100015361967 [0,0,0,0,0,0|3,0,1]=4 238 B12R1.270 N#Cc1ccc(c(c1)SCF)O 62a_100015361967_100000725478 [0,0,0,0,0,0|2,1,1]=4 239 B12R1.270 NCc1ccc(c(c1)OCF)Cl 34a_100020636435_100015361967 [0,0,0,0,0,0|3,0,1]=4 240 B12R1.270 NCc1ccc(c(c1)OCF)F 34a_100160469508_100015361967 [0,0,0,0,0,0|3,0,1]=4 241 B12R1.270 Nc1ncc(cc1SCF)C=O 62a_100010064899_100015361967 [0,0,0,0,0,0|3,1,0]=4 242 B12R1.270 Nc1ncc(cc1SCF)C=O 62a_100015361967_100010064899 [0,0,0,0,0,0|3,1,0]=4 243 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100010146563_100015361967 [0,0,0,0,0,0|2,1,0]=3 244 B12R1.270 O=Cc1ccc(c(c1)SCF)Br 62a_100015361967_100010146563 [0,0,0,0,0,0|2,1,0]=3 245 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100010209939_100015361967 [0,0,0,0,0,0|2,1,0]=3 246 B12R1.270 O=Cc1ccc(c(c1)SCF)Cl 62a_100015361967_100010209939 [0,0,0,0,0,0|2,1,0]=3 247 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100000211747_100015361967 [0,0,0,0,0,0|2,1,0]=3 248 B12R1.270 O=Cc1ccc(c(c1)SCF)F 62a_100015361967_100000211747 [0,0,0,0,0,0|2,1,0]=3 249 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100000184552_100015361967 [0,0,0,0,0,0|1,1,0]=2 250 B12R1.270 O=Cc1ccc(c(c1)SCF)O 62a_100015361967_100000184552 [0,0,0,0,0,0|1,1,0]=2 251 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100010064886_100015361967 [0,0,0,0,0,0|2,1,0]=3 252 B12R1.270 O=Cc1cnc(c(c1)SCF)O 62a_100015361967_100010064886 [0,0,0,0,0,0|2,1,0]=3 253 B12R1.270 OCc1ccc(c(c1)NCF)O 34a_100000123545_100015361967 [0,0,0,0,0,0|2,0,2]=4 254 B12R1.270 OCc1ccc(c(c1)OCF)Br 34a_100010191536_100015361967 [0,0,0,0,0,0|2,0,2]=4 255 B12R1.270 OCc1ccc(c(c1)OCF)Br 7a_100010191536_100015361967 [0,0,0,0,0,0|2,0,2]=4 256 B12R1.270 OCc1ccc(c(c1)OCF)Cl 34a_100009876509_100015361967 [0,0,0,0,0,0|2,0,2]=4 257 B12R1.270 OCc1ccc(c(c1)OCF)Cl 7a_100009876509_100015361967 [0,0,0,0,0,0|2,0,2]=4 258 B12R1.270 OCc1ccc(c(c1)OCF)F 34a_100009842347_100015361967 [0,0,0,0,0,0|2,0,2]=4 259 B12R1.270 OCc1ccc(c(c1)OCF)F 7a_100009842347_100015361967 [0,0,0,0,0,0|2,0,2]=4 260 B12R1.270 OCc1ccc(c(c1)OCF)I 34a_100000049605_100015361967 [0,0,0,0,0,0|2,0,2]=4 261 B12R1.270 OCc1ccc(c(c1)OCF)I 7a_100000049605_100015361967 [0,0,0,0,0,0|2,0,2]=4 262 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100011191544_100015361967 [0,0,0,0,0,0|1,1,2]=4 263 B12R1.270 OCc1ccc(c(c1)SCF)O 62a_100015361967_100011191544 [0,0,0,0,0,0|1,1,2]=4 264 B11R1.182 CC=Cc1cc(ccc1O)Br 271570a_100016259895_100012355227 [1,0,0,0,0,0|2,0,1]=4 265 B11R1.182 CC=Cc1cc(ccc1O)C 271570a_100016259895_100000765521 [1,0,0,0,0,0|1,0,2]=4 266 B11R1.182 CC=Cc1cc(ccc1O)Cl 271570a_100016259895_100011356953 [1,0,0,0,0,0|2,0,1]=4 267 B11R1.182 CC=Cc1cc(ccc1O)F 271570a_100016259895_100000211999 [1,0,0,0,0,0|2,0,1]=4 268 B11R1.182 CC=Cc1cc(ccc1O)N 271570a_100016259895_100011534360 [1,0,0,0,0,0|2,0,1]=4 269 B11R1.182 CC=Cc1cc(ccc1O)O 271570a_100016259895_100009813629 [1,0,0,0,0,0|1,0,2]=4 270 B11R1.182 CCNc1cc(ccc1Br)Br 34a_100000737762_100000210202 [1,0,0,0,0,0|3,0,0]=4 271 B11R1.182 CCNc1cc(ccc1Br)C 34a_100000745044_100000210202 [1,0,0,0,0,0|2,0,1]=4 272 B11R1.182 CCNc1cc(ccc1Br)Cl 34a_100000687073_100000210202 [1,0,0,0,0,0|3,0,0]=4 273 B11R1.182 CCNc1cc(ccc1Br)F 34a_100000687223_100000210202 [1,0,0,0,0,0|3,0,0]=4 274 B11R1.182 CCNc1cc(ccc1Br)O 34a_100011999798_100000210202 [1,0,0,0,0,0|2,0,1]=4 275 B11R1.182 CCNc1cc(ccc1C)Br 34a_100000741167_100000210202 [1,0,0,0,0,0|3,0,0]=4 276 B11R1.182 CCNc1cc(ccc1C)Br 7a_100000741167_100000210202 [1,0,0,0,0,0|3,0,0]=4 277 B11R1.182 CCNc1cc(ccc1C)C 2230a_100000185781_100000210202 [1,0,0,0,0,0|2,0,1]=4 278 B11R1.182 CCNc1cc(ccc1C)C 34a_100000185781_100000210202 [1,0,0,0,0,0|2,0,1]=4 279 B11R1.182 CCNc1cc(ccc1C)C 7a_100000185781_100000210202 [1,0,0,0,0,0|2,0,1]=4 280 B11R1.182 CCNc1cc(ccc1C)Cl 34a_100000211374_100000210202 [1,0,0,0,0,0|3,0,0]=4 281 B11R1.182 CCNc1cc(ccc1C)Cl 7a_100000211374_100000210202 [1,0,0,0,0,0|3,0,0]=4 282 B11R1.182 CCNc1cc(ccc1C)F 34a_100000211107_100000210202 [1,0,0,0,0,0|3,0,0]=4 283 B11R1.182 CCNc1cc(ccc1C)F 7a_100000211107_100000210202 [1,0,0,0,0,0|3,0,0]=4 284 B11R1.182 CCNc1cc(ccc1C)I 7a_100000761890_100000210202 [1,0,0,0,0,0|3,0,0]=4 285 B11R1.182 CCNc1cc(ccc1C)O 34a_100011216113_100000210202 [1,0,0,0,0,0|2,0,1]=4 286 B11R1.182 CCNc1cc(ccc1Cl)Br 34a_100000750497_100000210202 [1,0,0,0,0,0|3,0,0]=4 287 B11R1.182 CCNc1cc(ccc1Cl)C 34a_100011215360_100000210202 [1,0,0,0,0,0|2,0,1]=4 288 B11R1.182 CCNc1cc(ccc1Cl)Cl 34a_100000184485_100000210202 [1,0,0,0,0,0|3,0,0]=4 289 B11R1.182 CCNc1cc(ccc1Cl)F 34a_100000751338_100000210202 [1,0,0,0,0,0|3,0,0]=4 290 B11R1.182 CCNc1cc(ccc1Cl)I 34a_200000761891_100000210202 [1,0,0,0,0,0|3,0,0]=4 291 B11R1.182 CCNc1cc(ccc1Cl)O 34a_100011934297_100000210202 [1,0,0,0,0,0|2,0,1]=4 292 B11R1.182 CCNc1cc(ccc1F)Br 34a_100000740924_100000210202 [1,0,0,0,0,0|3,0,0]=4 293 B11R1.182 CCNc1cc(ccc1F)C 34a_100000211285_100000210202 [1,0,0,0,0,0|2,0,1]=4 294 B11R1.182 CCNc1cc(ccc1F)Cl 34a_100000212115_100000210202 [1,0,0,0,0,0|3,0,0]=4 295 B11R1.182 CCNc1cc(ccc1F)F 34a_100000210742_100000210202 [1,0,0,0,0,0|3,0,0]=4 296 B11R1.182 CCNc1cc(ccc1F)I 34a_100011464823_100000210202 [1,0,0,0,0,0|3,0,0]=4 297 B11R1.182 CCNc1cc(ccc1F)O 34a_100012017239_100000210202 [1,0,0,0,0,0|2,0,1]=4 298 B11R1.182 CCNc1cc(ccc1I)Br 34a_100000743836_100000210202 [1,0,0,0,0,0|3,0,0]=4 299 B11R1.182 CCNc1cc(ccc1I)C 34a_100011216686_100000210202 [1,0,0,0,0,0|2,0,1]=4 300 B11R1.182 CCNc1cc(ccc1I)Cl 34a_100000761886_100000210202 [1,0,0,0,0,0|3,0,0]=4 301 B11R1.182 CCNc1cc(ccc1I)F 34a_100011218093_100000210202 [1,0,0,0,0,0|3,0,0]=4 302 B11R1.182 CCNc1cc(ccc1N)O 271570a_203496583355_100000696630 [1,0,0,0,0,0|2,0,1]=4 303 B11R1.182 CCNc1cc(ccc1O)Br 34a_100000752626_100000210202 [1,0,0,0,0,0|2,0,0]=3 304 B11R1.182 CCNc1cc(ccc1O)C 34a_100011215204_100000210202 [1,0,0,0,0,0|1,0,1]=3 305 B11R1.182 CCNc1cc(ccc1O)Cl 34a_100000210500_100000210202 [1,0,0,0,0,0|2,0,0]=3 306 B11R1.182 CCNc1cc(ccc1O)F 34a_100000759472_100000210202 [1,0,0,0,0,0|2,0,0]=3 307 B11R1.182 CCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210202 [1,0,0,0,0,0|2,0,0]=3 308 B11R1.182 CCOc1cc(ccc1Br)Br 34a_100011220040_100000210202 [1,0,0,0,0,0|2,0,0]=3 309 B11R1.182 CCOc1cc(ccc1Br)Br 7a_100011220040_100000210202 [1,0,0,0,0,0|2,0,0]=3 310 B11R1.182 CCOc1cc(ccc1Br)C 34a_100012002257_100000210202 [1,0,0,0,0,0|1,0,1]=3 311 B11R1.182 CCOc1cc(ccc1Br)C 7a_100012002257_100000210202 [1,0,0,0,0,0|1,0,1]=3 312 B11R1.182 CCOc1cc(ccc1Br)Cl 34a_100012339455_100000210202 [1,0,0,0,0,0|2,0,0]=3 313 B11R1.182 CCOc1cc(ccc1Br)Cl 7a_100012339455_100000210202 [1,0,0,0,0,0|2,0,0]=3 314 B11R1.182 CCOc1cc(ccc1Br)F 34a_100000690578_100000210202 [1,0,0,0,0,0|2,0,0]=3 315 B11R1.182 CCOc1cc(ccc1Br)F 7a_100000690578_100000210202 [1,0,0,0,0,0|2,0,0]=3 316 B11R1.182 CCOc1cc(ccc1Br)I 34a_100012356990_100000210202 [1,0,0,0,0,0|2,0,0]=3 317 B11R1.182 CCOc1cc(ccc1Br)I 7a_100012356990_100000210202 [1,0,0,0,0,0|2,0,0]=3 318 B11R1.182 CCOc1cc(ccc1C)Br 34a_100000685420_100000210202 [1,0,0,0,0,0|2,0,0]=3 319 B11R1.182 CCOc1cc(ccc1C)Br 7a_100000685420_100000210202 [1,0,0,0,0,0|2,0,0]=3 320 B11R1.182 CCOc1cc(ccc1C)C 34a_100000210931_100000210202 [1,0,0,0,0,0|1,0,1]=3 321 B11R1.182 CCOc1cc(ccc1C)C 7a_100000210931_100000210202 [1,0,0,0,0,0|1,0,1]=3 322 B11R1.182 CCOc1cc(ccc1C)Cl 34a_100000756515_100000210202 [1,0,0,0,0,0|2,0,0]=3 323 B11R1.182 CCOc1cc(ccc1C)Cl 7a_100000756515_100000210202 [1,0,0,0,0,0|2,0,0]=3 324 B11R1.182 CCOc1cc(ccc1C)F 34a_100000690566_100000210202 [1,0,0,0,0,0|2,0,0]=3 325 B11R1.182 CCOc1cc(ccc1C)F 7a_100000690566_100000210202 [1,0,0,0,0,0|2,0,0]=3 326 B11R1.182 CCOc1cc(ccc1C)I 7a_100000766334_100000210202 [1,0,0,0,0,0|2,0,0]=3 327 B11R1.182 CCOc1cc(ccc1C)N 34a_100000759471_100000210202 [1,0,0,0,0,0|2,0,0]=3 328 B11R1.182 CCOc1cc(ccc1C)N 7a_100000759471_100000210202 [1,0,0,0,0,0|2,0,0]=3 329 B11R1.182 CCOc1cc(ccc1C)O 271570a_203496583355_100012361169 [1,0,0,0,0,0|1,0,1]=3 330 B11R1.182 CCOc1cc(ccc1Cl)Br 34a_100000738945_100000210202 [1,0,0,0,0,0|2,0,0]=3 331 B11R1.182 CCOc1cc(ccc1Cl)Br 7a_100000738945_100000210202 [1,0,0,0,0,0|2,0,0]=3 332 B11R1.182 CCOc1cc(ccc1Cl)C 34a_100000211493_100000210202 [1,0,0,0,0,0|1,0,1]=3 333 B11R1.182 CCOc1cc(ccc1Cl)C 7a_100000211493_100000210202 [1,0,0,0,0,0|1,0,1]=3 334 B11R1.182 CCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210202 [1,0,0,0,0,0|2,0,0]=3 335 B11R1.182 CCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210202 [1,0,0,0,0,0|2,0,0]=3 336 B11R1.182 CCOc1cc(ccc1Cl)F 34a_100000692107_100000210202 [1,0,0,0,0,0|2,0,0]=3 337 B11R1.182 CCOc1cc(ccc1Cl)F 7a_100000692107_100000210202 [1,0,0,0,0,0|2,0,0]=3 338 B11R1.182 CCOc1cc(ccc1Cl)I 34a_100011356854_100000210202 [1,0,0,0,0,0|2,0,0]=3 339 B11R1.182 CCOc1cc(ccc1Cl)I 7a_100011356854_100000210202 [1,0,0,0,0,0|2,0,0]=3 340 B11R1.182 CCOc1cc(ccc1Cl)N 34a_100011934209_100000210202 [1,0,0,0,0,0|2,0,0]=3 341 B11R1.182 CCOc1cc(ccc1F)Br 34a_100000686035_100000210202 [1,0,0,0,0,0|2,0,0]=3 342 B11R1.182 CCOc1cc(ccc1F)Br 7a_100000686035_100000210202 [1,0,0,0,0,0|2,0,0]=3 343 B11R1.182 CCOc1cc(ccc1F)C 34a_100000759540_100000210202 [1,0,0,0,0,0|1,0,1]=3 344 B11R1.182 CCOc1cc(ccc1F)C 7a_100000759540_100000210202 [1,0,0,0,0,0|1,0,1]=3 345 B11R1.182 CCOc1cc(ccc1F)Cl 34a_100000757397_100000210202 [1,0,0,0,0,0|2,0,0]=3 346 B11R1.182 CCOc1cc(ccc1F)Cl 7a_100000757397_100000210202 [1,0,0,0,0,0|2,0,0]=3 347 B11R1.182 CCOc1cc(ccc1F)F 34a_100000752141_100000210202 [1,0,0,0,0,0|2,0,0]=3 348 B11R1.182 CCOc1cc(ccc1F)F 7a_100000752141_100000210202 [1,0,0,0,0,0|2,0,0]=3 349 B11R1.182 CCOc1cc(ccc1F)I 34a_100009958187_100000210202 [1,0,0,0,0,0|2,0,0]=3 350 B11R1.182 CCOc1cc(ccc1F)I 7a_100009958187_100000210202 [1,0,0,0,0,0|2,0,0]=3 351 B11R1.182 CCOc1cc(ccc1F)N 34a_100012017398_100000210202 [1,0,0,0,0,0|2,0,0]=3 352 B11R1.182 CCOc1cc(ccc1F)N 7a_100012017398_100000210202 [1,0,0,0,0,0|2,0,0]=3 353 B11R1.182 CCOc1cc(ccc1F)O 271570a_203496583355_200012344967 [1,0,0,0,0,0|1,0,1]=3 354 B11R1.182 CCOc1cc(ccc1I)Br 34a_100012344904_100000210202 [1,0,0,0,0,0|2,0,0]=3 355 B11R1.182 CCOc1cc(ccc1I)Br 7a_100012344904_100000210202 [1,0,0,0,0,0|2,0,0]=3 356 B11R1.182 CCOc1cc(ccc1I)Cl 34a_100000050036_100000210202 [1,0,0,0,0,0|2,0,0]=3 357 B11R1.182 CCOc1cc(ccc1I)Cl 7a_100000050036_100000210202 [1,0,0,0,0,0|2,0,0]=3 358 B11R1.182 CCOc1cc(ccc1I)F 34a_100010084537_100000210202 [1,0,0,0,0,0|2,0,0]=3 359 B11R1.182 CCOc1cc(ccc1I)F 7a_100010084537_100000210202 [1,0,0,0,0,0|2,0,0]=3 360 B11R1.182 CCOc1cc(ccc1N)Br 34a_100000739049_100000210202 [1,0,0,0,0,0|2,0,0]=3 361 B11R1.182 CCOc1cc(ccc1N)Br 7a_100000739049_100000210202 [1,0,0,0,0,0|2,0,0]=3 362 B11R1.182 CCOc1cc(ccc1N)C 34a_100000211527_100000210202 [1,0,0,0,0,0|1,0,1]=3 363 B11R1.182 CCOc1cc(ccc1N)C 7a_100000211527_100000210202 [1,0,0,0,0,0|1,0,1]=3 364 B11R1.182 CCOc1cc(ccc1N)Cl 34a_100000185728_100000210202 [1,0,0,0,0,0|2,0,0]=3 365 B11R1.182 CCOc1cc(ccc1N)Cl 7a_100000185728_100000210202 [1,0,0,0,0,0|2,0,0]=3 366 B11R1.182 CCOc1cc(ccc1N)F 34a_100000753323_100000210202 [1,0,0,0,0,0|2,0,0]=3 367 B11R1.182 CCOc1cc(ccc1N)F 7a_100000753323_100000210202 [1,0,0,0,0,0|2,0,0]=3 368 B11R1.182 CCOc1cc(ccc1N)I 34a_100000057187_100000210202 [1,0,0,0,0,0|2,0,0]=3 369 B11R1.182 CCOc1cc(ccc1N)I 7a_100000057187_100000210202 [1,0,0,0,0,0|2,0,0]=3 370 B11R1.182 CCOc1cc(ccc1N)N 34a_100025717382_100000210202 [1,0,0,0,0,0|2,0,0]=3 371 B11R1.182 CCOc1cc(ccc1N)O 271570a_203496583355_100000688918 [1,0,0,0,0,0|1,0,1]=3 372 B11R1.182 CCOc1cc(ccc1O)C 271570a_203496583355_200010713166 [1,0,0,0,0,0|0,0,1]=2 373 B11R1.182 CCOc1cc(ccc1O)F 271570a_203496583355_200012340411 [1,0,0,0,0,0|1,0,0]=2 374 B11R1.182 CCOc1cc(ccc1O)N 271570a_203496583355_200016990551 [1,0,0,0,0,0|1,0,0]=2 375 B11R1.182 CCOc1cc(cnc1Br)Cl 34a_100000697010_100000210202 [1,0,0,0,0,0|3,0,0]=4 376 B11R1.182 CCOc1cc(cnc1Br)Cl 7a_100000697010_100000210202 [1,0,0,0,0,0|3,0,0]=4 377 B11R1.182 CCOc1cc(cnc1Br)F 34a_100009820119_100000210202 [1,0,0,0,0,0|3,0,0]=4 378 B11R1.182 CCOc1cc(cnc1Br)F 7a_100009820119_100000210202 [1,0,0,0,0,0|3,0,0]=4 379 B11R1.182 CCOc1cc(cnc1C)Br 34a_100009864810_100000210202 [1,0,0,0,0,0|3,0,0]=4 380 B11R1.182 CCOc1cc(cnc1C)Br 7a_100009864810_100000210202 [1,0,0,0,0,0|3,0,0]=4 381 B11R1.182 CCOc1cc(cnc1Cl)Br 34a_100012354860_100000210202 [1,0,0,0,0,0|3,0,0]=4 382 B11R1.182 CCOc1cc(cnc1Cl)Br 7a_100012354860_100000210202 [1,0,0,0,0,0|3,0,0]=4 383 B11R1.182 CCOc1cc(cnc1Cl)C 34a_100012000487_100000210202 [1,0,0,0,0,0|2,0,1]=4 384 B11R1.182 CCOc1cc(cnc1Cl)C 7a_100012000487_100000210202 [1,0,0,0,0,0|2,0,1]=4 385 B11R1.182 CCOc1cc(cnc1Cl)F 34a_100000079967_100000210202 [1,0,0,0,0,0|3,0,0]=4 386 B11R1.182 CCOc1cc(cnc1Cl)F 7a_100000079967_100000210202 [1,0,0,0,0,0|3,0,0]=4 387 B11R1.182 CCOc1cc(cnc1F)Br 34a_100009819871_100000210202 [1,0,0,0,0,0|3,0,0]=4 388 B11R1.182 CCOc1cc(cnc1F)Br 7a_100009819871_100000210202 [1,0,0,0,0,0|3,0,0]=4 389 B11R1.182 CCOc1cc(cnc1F)C 34a_100009849810_100000210202 [1,0,0,0,0,0|2,0,1]=4 390 B11R1.182 CCOc1cc(cnc1F)C 7a_100009849810_100000210202 [1,0,0,0,0,0|2,0,1]=4 391 B11R1.182 CCOc1cc(cnc1F)Cl 34a_100000094372_100000210202 [1,0,0,0,0,0|3,0,0]=4 392 B11R1.182 CCOc1cc(cnc1F)Cl 7a_100000094372_100000210202 [1,0,0,0,0,0|3,0,0]=4 393 B11R1.182 CCOc1cc(cnc1F)O 271570a_203496583355_100010732568 [1,0,0,0,0,0|2,0,1]=4 394 B11R1.182 CCOc1cc(cnc1I)Br 34a_100010210634_100000210202 [1,0,0,0,0,0|3,0,0]=4 395 B11R1.182 CCOc1cc(cnc1I)Br 7a_100010210634_100000210202 [1,0,0,0,0,0|3,0,0]=4 396 B11R1.182 CCOc1cc(cnc1I)Cl 34a_100010233512_100000210202 [1,0,0,0,0,0|3,0,0]=4 397 B11R1.182 CCOc1cc(cnc1I)Cl 7a_100010233512_100000210202 [1,0,0,0,0,0|3,0,0]=4 398 B11R1.182 CCOc1cc(cnc1I)F 34a_100015624800_100000210202 [1,0,0,0,0,0|3,0,0]=4 399 B11R1.182 CCOc1cc(cnc1I)F 7a_100015624800_100000210202 [1,0,0,0,0,0|3,0,0]=4 400 B11R1.182 CCOc1cc(cnc1N)Br 34a_100009819042_100000210202 [1,0,0,0,0,0|3,0,0]=4 401 B11R1.182 CCOc1cc(cnc1N)Br 7a_100009819042_100000210202 [1,0,0,0,0,0|3,0,0]=4 402 B11R1.182 CCOc1cc(cnc1N)Cl 34a_100000123674_100000210202 [1,0,0,0,0,0|3,0,0]=4 403 B11R1.182 CCOc1cc(cnc1N)Cl 7a_100000123674_100000210202 [1,0,0,0,0,0|3,0,0]=4 404 B11R1.182 CCOc1cc(cnc1N)F 34a_100000094369_100000210202 [1,0,0,0,0,0|3,0,0]=4 405 B11R1.182 CCOc1cc(cnc1N)F 7a_100000094369_100000210202 [1,0,0,0,0,0|3,0,0]=4 406 B11R1.182 CCOc1cc(ncc1Br)Br 34a_100010235016_100000210202 [1,0,0,0,0,0|3,0,0]=4 407 B11R1.182 CCOc1cc(ncc1Br)C 34a_100011016184_100000210202 [1,0,0,0,0,0|2,0,1]=4 408 B11R1.182 CCOc1cc(ncc1Br)Cl 34a_100010173860_100000210202 [1,0,0,0,0,0|3,0,0]=4 409 B11R1.182 CCOc1cc(ncc1C)Br 34a_100000704368_100000210202 [1,0,0,0,0,0|3,0,0]=4 410 B11R1.182 CCOc1cc(ncc1C)Br 7a_100000704368_100000210202 [1,0,0,0,0,0|3,0,0]=4 411 B11R1.182 CCOc1cc(ncc1Cl)Br 34a_100010173861_100000210202 [1,0,0,0,0,0|3,0,0]=4 412 B11R1.182 CCOc1cc(ncc1F)Br 34a_100009854642_100000210202 [1,0,0,0,0,0|3,0,0]=4 413 B11R1.182 CCOc1cc(ncc1F)Cl 34a_100009851168_100000210202 [1,0,0,0,0,0|3,0,0]=4 414 B11R1.182 CCOc1cc(ncc1N)O 271570a_203496583355_100015764953 [1,0,0,0,0,0|2,0,1]=4 415 B11R1.182 CCOc1nc(ccc1Br)C 34a_100009817604_100000210202 [1,0,0,0,0,0|2,0,1]=4 416 B11R1.182 CCOc1nc(ccc1F)Cl 34a_100010729010_100000210202 [1,0,0,0,0,0|3,0,0]=4 417 B11R1.182 CCOc1nc(ccc1N)C 34a_100000687486_100000210202 [1,0,0,0,0,0|2,0,1]=4 418 B11R1.182 CCSc1cc(=O)[nH]cc1F 62a_100000210202_100009817642 [1,0,0,0,0,0|2,1,0]=4 419 B11R1.182 CCSc1cc(=O)[nH]cc1F 62a_100009817642_100000210202 [1,0,0,0,0,0|2,1,0]=4 420 B11R1.182 CCSc1cc(ccc1Br)Br 62a_100000210202_100011483371 [1,0,0,0,0,0|2,1,0]=4 421 B11R1.182 CCSc1cc(ccc1Br)Br 62a_100011483371_100000210202 [1,0,0,0,0,0|2,1,0]=4 422 B11R1.182 CCSc1cc(ccc1Br)C 62a_100000210202_100012353751 [1,0,0,0,0,0|1,1,1]=4 423 B11R1.182 CCSc1cc(ccc1Br)C 62a_100012353751_100000210202 [1,0,0,0,0,0|1,1,1]=4 424 B11R1.182 CCSc1cc(ccc1Br)Cl 62a_100000210202_100012339723 [1,0,0,0,0,0|2,1,0]=4 425 B11R1.182 CCSc1cc(ccc1Br)Cl 62a_100012339723_100000210202 [1,0,0,0,0,0|2,1,0]=4 426 B11R1.182 CCSc1cc(ccc1Br)F 62a_100000210202_100011217576 [1,0,0,0,0,0|2,1,0]=4 427 B11R1.182 CCSc1cc(ccc1Br)F 62a_100011217576_100000210202 [1,0,0,0,0,0|2,1,0]=4 428 B11R1.182 CCSc1cc(ccc1Br)N 62a_100000210202_100000750459 [1,0,0,0,0,0|2,1,0]=4 429 B11R1.182 CCSc1cc(ccc1Br)N 62a_100000750459_100000210202 [1,0,0,0,0,0|2,1,0]=4 430 B11R1.182 CCSc1cc(ccc1Br)O 62a_100000210202_100012339312 [1,0,0,0,0,0|1,1,1]=4 431 B11R1.182 CCSc1cc(ccc1Br)O 62a_100012339312_100000210202 [1,0,0,0,0,0|1,1,1]=4 432 B11R1.182 CCSc1cc(ccc1C)Br 62a_100000210202_100011344865 [1,0,0,0,0,0|2,1,0]=4 433 B11R1.182 CCSc1cc(ccc1C)Br 62a_100011344865_100000210202 [1,0,0,0,0,0|2,1,0]=4 434 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210202_100000210833 [1,0,0,0,0,0|1,1,1]=4 435 B11R1.182 CCSc1cc(ccc1C)C 62a_100000210833_100000210202 [1,0,0,0,0,0|1,1,1]=4 436 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100000210202_100011263213 [1,0,0,0,0,0|2,1,0]=4 437 B11R1.182 CCSc1cc(ccc1C)Cl 62a_100011263213_100000210202 [1,0,0,0,0,0|2,1,0]=4 438 B11R1.182 CCSc1cc(ccc1C)F 62a_100000210202_100011218078 [1,0,0,0,0,0|2,1,0]=4 439 B11R1.182 CCSc1cc(ccc1C)F 62a_100011218078_100000210202 [1,0,0,0,0,0|2,1,0]=4 440 B11R1.182 CCSc1cc(ccc1C)N 62a_100000210202_100000736455 [1,0,0,0,0,0|2,1,0]=4 441 B11R1.182 CCSc1cc(ccc1C)N 62a_100000736455_100000210202 [1,0,0,0,0,0|2,1,0]=4 442 B11R1.182 CCSc1cc(ccc1C)O 62a_100000210202_100011380479 [1,0,0,0,0,0|1,1,1]=4 443 B11R1.182 CCSc1cc(ccc1C)O 62a_100011380479_100000210202 [1,0,0,0,0,0|1,1,1]=4 444 B11R1.182 CCSc1cc(ccc1Cl)Br 62a_100000210202_100011772130 [1,0,0,0,0,0|2,1,0]=4 445 B11R1.182 CCSc1cc(ccc1Cl)Br 62a_100011772130_100000210202 [1,0,0,0,0,0|2,1,0]=4 446 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100000210202_100012356289 [1,0,0,0,0,0|1,1,1]=4 447 B11R1.182 CCSc1cc(ccc1Cl)C 62a_100012356289_100000210202 [1,0,0,0,0,0|1,1,1]=4 448 B11R1.182 CCSc1cc(ccc1Cl)Cl 62a_100000210202_100000707729 [1,0,0,0,0,0|2,1,0]=4 449 B11R1.182 CCSc1cc(ccc1Cl)Cl 62a_100000707729_100000210202 [1,0,0,0,0,0|2,1,0]=4 450 B11R1.182 CCSc1cc(ccc1Cl)F 62a_100000210202_100011217299 [1,0,0,0,0,0|2,1,0]=4 451 B11R1.182 CCSc1cc(ccc1Cl)F 62a_100011217299_100000210202 [1,0,0,0,0,0|2,1,0]=4 452 B11R1.182 CCSc1cc(ccc1Cl)N 62a_100000210202_100012360549 [1,0,0,0,0,0|2,1,0]=4 453 B11R1.182 CCSc1cc(ccc1Cl)N 62a_100012360549_100000210202 [1,0,0,0,0,0|2,1,0]=4 454 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000049588_100000210202 [1,0,0,0,0,0|1,1,1]=4 455 B11R1.182 CCSc1cc(ccc1Cl)O 62a_100000210202_100000049588 [1,0,0,0,0,0|1,1,1]=4 456 B11R1.182 CCSc1cc(ccc1F)Br 62a_100000210202_100011217312 [1,0,0,0,0,0|2,1,0]=4 457 B11R1.182 CCSc1cc(ccc1F)Br 62a_100011217312_100000210202 [1,0,0,0,0,0|2,1,0]=4 458 B11R1.182 CCSc1cc(ccc1F)C 62a_100000210202_100000736223 [1,0,0,0,0,0|1,1,1]=4 459 B11R1.182 CCSc1cc(ccc1F)C 62a_100000736223_100000210202 [1,0,0,0,0,0|1,1,1]=4 460 B11R1.182 CCSc1cc(ccc1F)Cl 62a_100000210202_100011218116 [1,0,0,0,0,0|2,1,0]=4 461 B11R1.182 CCSc1cc(ccc1F)Cl 62a_100011218116_100000210202 [1,0,0,0,0,0|2,1,0]=4 462 B11R1.182 CCSc1cc(ccc1F)F 62a_100000210202_100011219198 [1,0,0,0,0,0|2,1,0]=4 463 B11R1.182 CCSc1cc(ccc1F)F 62a_100011219198_100000210202 [1,0,0,0,0,0|2,1,0]=4 464 B11R1.182 CCSc1cc(ccc1F)N 62a_100000210202_100000760356 [1,0,0,0,0,0|2,1,0]=4 465 B11R1.182 CCSc1cc(ccc1F)N 62a_100000760356_100000210202 [1,0,0,0,0,0|2,1,0]=4 466 B11R1.182 CCSc1cc(ccc1F)O 62a_100000210202_100000693481 [1,0,0,0,0,0|1,1,1]=4 467 B11R1.182 CCSc1cc(ccc1F)O 62a_100000693481_100000210202 [1,0,0,0,0,0|1,1,1]=4 468 B11R1.182 CCSc1cc(ccc1N)Br 62a_100000187925_100000210202 [1,0,0,0,0,0|2,1,0]=4 469 B11R1.182 CCSc1cc(ccc1N)Br 62a_100000210202_100000187925 [1,0,0,0,0,0|2,1,0]=4 470 B11R1.182 CCSc1cc(ccc1N)C 62a_100000210202_100011356834 [1,0,0,0,0,0|1,1,1]=4 471 B11R1.182 CCSc1cc(ccc1N)C 62a_100011356834_100000210202 [1,0,0,0,0,0|1,1,1]=4 472 B11R1.182 CCSc1cc(ccc1N)Cl 62a_100000210202_100000761889 [1,0,0,0,0,0|2,1,0]=4 473 B11R1.182 CCSc1cc(ccc1N)Cl 62a_100000761889_100000210202 [1,0,0,0,0,0|2,1,0]=4 474 B11R1.182 CCSc1cc(ccc1N)F 62a_100000210202_100000760547 [1,0,0,0,0,0|2,1,0]=4 475 B11R1.182 CCSc1cc(ccc1N)F 62a_100000760547_100000210202 [1,0,0,0,0,0|2,1,0]=4 476 B11R1.182 CCSc1cc(ccc1N)N 62a_100000210202_100011534242 [1,0,0,0,0,0|2,1,0]=4 477 B11R1.182 CCSc1cc(ccc1N)N 62a_100011534242_100000210202 [1,0,0,0,0,0|2,1,0]=4 478 B11R1.182 CCSc1cc(ccc1N)O 62a_100000210202_100012001276 [1,0,0,0,0,0|1,1,1]=4 479 B11R1.182 CCSc1cc(ccc1N)O 62a_100012001276_100000210202 [1,0,0,0,0,0|1,1,1]=4 480 B11R1.182 CCSc1cc(ccc1O)Br 62a_100000210202_100012355227 [1,0,0,0,0,0|1,1,0]=3 481 B11R1.182 CCSc1cc(ccc1O)Br 62a_100012355227_100000210202 [1,0,0,0,0,0|1,1,0]=3 482 B11R1.182 CCSc1cc(ccc1O)C 62a_100000210202_100000765521 [1,0,0,0,0,0|0,1,1]=3 483 B11R1.182 CCSc1cc(ccc1O)C 62a_100000765521_100000210202 [1,0,0,0,0,0|0,1,1]=3 484 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100000210202_100011356953 [1,0,0,0,0,0|1,1,0]=3 485 B11R1.182 CCSc1cc(ccc1O)Cl 62a_100011356953_100000210202 [1,0,0,0,0,0|1,1,0]=3 486 B11R1.182 CCSc1cc(ccc1O)F 62a_100000210202_100000211999 [1,0,0,0,0,0|1,1,0]=3 487 B11R1.182 CCSc1cc(ccc1O)F 62a_100000211999_100000210202 [1,0,0,0,0,0|1,1,0]=3 488 B11R1.182 CCSc1cc(ccc1O)N 62a_100000210202_100011534360 [1,0,0,0,0,0|1,1,0]=3 489 B11R1.182 CCSc1cc(ccc1O)N 62a_100011534360_100000210202 [1,0,0,0,0,0|1,1,0]=3 490 B11R1.182 CCSc1cc(ccc1O)O 62a_100000210202_100009813629 [1,0,0,0,0,0|0,1,1]=3 491 B11R1.182 CCSc1cc(cnc1O)Br 62a_100000210202_100010197142 [1,0,0,0,0,0|2,1,0]=4 492 B11R1.182 CCSc1cc(cnc1O)Br 62a_100010197142_100000210202 [1,0,0,0,0,0|2,1,0]=4 493 B11R1.182 CCSc1cc(cnc1O)C 62a_100000210202_100000719714 [1,0,0,0,0,0|1,1,1]=4 494 B11R1.182 CCSc1cc(cnc1O)C 62a_100000719714_100000210202 [1,0,0,0,0,0|1,1,1]=4 495 B11R1.182 CCSc1cc(cnc1O)Cl 62a_100000210202_100010188700 [1,0,0,0,0,0|2,1,0]=4 496 B11R1.182 CCSc1cc(cnc1O)Cl 62a_100010188700_100000210202 [1,0,0,0,0,0|2,1,0]=4 497 B11R1.182 CCSc1cc(ncc1O)C 62a_100000210202_100009843476 [1,0,0,0,0,0|1,1,1]=4 498 B11R1.182 CCSc1cc(ncc1O)C 62a_100009843476_100000210202 [1,0,0,0,0,0|1,1,1]=4 499 B11R1.182 CCSc1cc(ncc1O)Cl 62a_100000210202_100000698892 [1,0,0,0,0,0|2,1,0]=4 500 B11R1.182 CCSc1cc(ncc1O)Cl 62a_100000698892_100000210202 [1,0,0,0,0,0|2,1,0]=4 501 B11R1.182 CCSc1nc(ccc1O)Br 62a_100000210202_100010253912 [1,0,0,0,0,0|2,1,0]=4 502 B11R1.182 CCSc1nc(ccc1O)Br 62a_100010253912_100000210202 [1,0,0,0,0,0|2,1,0]=4 503 B11R1.182 CCSc1nc(ccc1O)C 62a_100000210202_100000702858 [1,0,0,0,0,0|1,1,1]=4 504 B11R1.182 CCSc1nc(ccc1O)C 62a_100000702858_100000210202 [1,0,0,0,0,0|1,1,1]=4 505 B11R1.182 CCSc1nc(ccc1O)Cl 62a_100000210202_100000696390 [1,0,0,0,0,0|2,1,0]=4 506 B11R1.182 CCSc1nc(ccc1O)F 62a_100000210202_100010382442 [1,0,0,0,0,0|2,1,0]=4 507 B11R1.182 CCSc1nc(ccc1O)F 62a_100010382442_100000210202 [1,0,0,0,0,0|2,1,0]=4 508 B11R1.182 CNCc1cc(ccc1O)Br 34a_100000730032_200000210301 [1,0,0,0,0,0|3,0,0]=4 509 B11R1.182 CNCc1cc(ccc1O)Cl 34a_100000238540_200000210301 [1,0,0,0,0,0|3,0,0]=4 510 B11R1.182 CNCc1cc(ccc1O)F 34a_100102657272_100010161318 [1,0,0,0,0,0|3,0,0]=4 511 B11R1.182 CNCc1cc(ccc1O)F 7a_106832991635_100010161318 [1,0,0,0,0,0|3,0,0]=4 512 B11R1.182 CNCc1cc(ccc1O)O 271570a_203496583355_100011602694 [1,0,0,0,0,0|2,0,1]=4 513 B11R1.182 COCc1cc(ccc1O)F 34a_100138415774_100010161318 [1,0,0,0,0,0|3,0,0]=4 514 B11R1.182 CSCc1cc(ccc1O)F 62a_100010161318_200000210301 [1,0,0,0,0,0|3,0,0]=4 515 B11R1.182 CSCc1cc(ccc1O)F 62a_200000210301_100010161318 [1,0,0,0,0,0|3,0,0]=4 516 B11R1.182 Cc1ccc(c(c1)NCF)O 34a_100011215204_100015361967 [1,0,0,0,0,0|2,0,1]=4 517 B11R1.182 Cc1ccc(c(c1)OCF)Br 34a_100012002257_100015361967 [1,0,0,0,0,0|2,0,1]=4 518 B11R1.182 Cc1ccc(c(c1)OCF)Br 7a_100012002257_100015361967 [1,0,0,0,0,0|2,0,1]=4 519 B11R1.182 Cc1ccc(c(c1)OCF)C 34a_100000210931_100015361967 [1,0,0,0,0,0|2,0,1]=4 520 B11R1.182 Cc1ccc(c(c1)OCF)C 7a_100000210931_100015361967 [1,0,0,0,0,0|2,0,1]=4 521 B11R1.182 Cc1ccc(c(c1)OCF)Cl 34a_100000211493_100015361967 [1,0,0,0,0,0|2,0,1]=4 522 B11R1.182 Cc1ccc(c(c1)OCF)Cl 7a_100000211493_100015361967 [1,0,0,0,0,0|2,0,1]=4 523 B11R1.182 Cc1ccc(c(c1)OCF)F 34a_100000759540_100015361967 [1,0,0,0,0,0|2,0,1]=4 524 B11R1.182 Cc1ccc(c(c1)OCF)F 7a_100000759540_100015361967 [1,0,0,0,0,0|2,0,1]=4 525 B11R1.182 Cc1ccc(c(c1)OCF)N 34a_100000211527_100015361967 [1,0,0,0,0,0|2,0,1]=4 526 B11R1.182 Cc1ccc(c(c1)OCF)N 7a_100000211527_100015361967 [1,0,0,0,0,0|2,0,1]=4 527 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100000765521_100015361967 [1,0,0,0,0,0|1,1,1]=4 528 B11R1.182 Cc1ccc(c(c1)SCF)O 62a_100015361967_100000765521 [1,0,0,0,0,0|1,1,1]=4 529 B11R1.182 Cc1ccc(cc1OCF)Br 34a_100000685420_100015361967 [1,0,0,0,0,0|3,0,0]=4 530 B11R1.182 Cc1ccc(cc1OCF)Br 7a_100000685420_100015361967 [1,0,0,0,0,0|3,0,0]=4 531 B11R1.182 Cc1ccc(cc1OCF)Cl 34a_100000756515_100015361967 [1,0,0,0,0,0|3,0,0]=4 532 B11R1.182 Cc1ccc(cc1OCF)Cl 7a_100000756515_100015361967 [1,0,0,0,0,0|3,0,0]=4 533 B11R1.182 Cc1ccc(cc1OCF)F 34a_100000690566_100015361967 [1,0,0,0,0,0|3,0,0]=4 534 B11R1.182 Cc1ccc(cc1OCF)F 7a_100000690566_100015361967 [1,0,0,0,0,0|3,0,0]=4 535 B11R1.182 Cc1ccc(cc1OCF)I 7a_100000766334_100015361967 [1,0,0,0,0,0|3,0,0]=4 536 B11R1.182 Cc1ccc(cc1OCF)N 34a_100000759471_100015361967 [1,0,0,0,0,0|3,0,0]=4 537 B11R1.182 Cc1ccc(cc1OCF)N 7a_100000759471_100015361967 [1,0,0,0,0,0|3,0,0]=4 538 B11R1.182 FCOc1cc(ccc1Br)Br 34a_100011220040_100015361967 [1,0,0,0,0,0|3,0,0]=4 539 B11R1.182 FCOc1cc(ccc1Br)Br 7a_100011220040_100015361967 [1,0,0,0,0,0|3,0,0]=4 540 B11R1.182 FCOc1cc(ccc1Br)Cl 34a_100012339455_100015361967 [1,0,0,0,0,0|3,0,0]=4 541 B11R1.182 FCOc1cc(ccc1Br)Cl 7a_100012339455_100015361967 [1,0,0,0,0,0|3,0,0]=4 542 B11R1.182 FCOc1cc(ccc1Br)F 34a_100000690578_100015361967 [1,0,0,0,0,0|3,0,0]=4 543 B11R1.182 FCOc1cc(ccc1Br)F 7a_100000690578_100015361967 [1,0,0,0,0,0|3,0,0]=4 544 B11R1.182 FCOc1cc(ccc1Br)I 34a_100012356990_100015361967 [1,0,0,0,0,0|3,0,0]=4 545 B11R1.182 FCOc1cc(ccc1Br)I 7a_100012356990_100015361967 [1,0,0,0,0,0|3,0,0]=4 546 B11R1.182 FCOc1cc(ccc1Cl)Br 34a_100000738945_100015361967 [1,0,0,0,0,0|3,0,0]=4 547 B11R1.182 FCOc1cc(ccc1Cl)Br 7a_100000738945_100015361967 [1,0,0,0,0,0|3,0,0]=4 548 B11R1.182 FCOc1cc(ccc1Cl)Cl 34a_100000211422_100015361967 [1,0,0,0,0,0|3,0,0]=4 549 B11R1.182 FCOc1cc(ccc1Cl)Cl 7a_100000211422_100015361967 [1,0,0,0,0,0|3,0,0]=4 550 B11R1.182 FCOc1cc(ccc1Cl)F 34a_100000692107_100015361967 [1,0,0,0,0,0|3,0,0]=4 551 B11R1.182 FCOc1cc(ccc1Cl)F 7a_100000692107_100015361967 [1,0,0,0,0,0|3,0,0]=4 552 B11R1.182 FCOc1cc(ccc1Cl)I 34a_100011356854_100015361967 [1,0,0,0,0,0|3,0,0]=4 553 B11R1.182 FCOc1cc(ccc1Cl)I 7a_100011356854_100015361967 [1,0,0,0,0,0|3,0,0]=4 554 B11R1.182 FCOc1cc(ccc1F)Br 34a_100000686035_100015361967 [1,0,0,0,0,0|3,0,0]=4 555 B11R1.182 FCOc1cc(ccc1F)Br 7a_100000686035_100015361967 [1,0,0,0,0,0|3,0,0]=4 556 B11R1.182 FCOc1cc(ccc1F)Cl 34a_100000757397_100015361967 [1,0,0,0,0,0|3,0,0]=4 557 B11R1.182 FCOc1cc(ccc1F)Cl 7a_100000757397_100015361967 [1,0,0,0,0,0|3,0,0]=4 558 B11R1.182 FCOc1cc(ccc1F)F 34a_100000752141_100015361967 [1,0,0,0,0,0|3,0,0]=4 559 B11R1.182 FCOc1cc(ccc1F)F 7a_100000752141_100015361967 [1,0,0,0,0,0|3,0,0]=4 560 B11R1.182 FCOc1cc(ccc1F)I 34a_100009958187_100015361967 [1,0,0,0,0,0|3,0,0]=4 561 B11R1.182 FCOc1cc(ccc1F)I 7a_100009958187_100015361967 [1,0,0,0,0,0|3,0,0]=4 562 B11R1.182 FCOc1cc(ccc1I)Br 34a_100012344904_100015361967 [1,0,0,0,0,0|3,0,0]=4 563 B11R1.182 FCOc1cc(ccc1I)Br 7a_100012344904_100015361967 [1,0,0,0,0,0|3,0,0]=4 564 B11R1.182 FCOc1cc(ccc1I)Cl 34a_100000050036_100015361967 [1,0,0,0,0,0|3,0,0]=4 565 B11R1.182 FCOc1cc(ccc1I)Cl 7a_100000050036_100015361967 [1,0,0,0,0,0|3,0,0]=4 566 B11R1.182 FCOc1cc(ccc1I)F 34a_100010084537_100015361967 [1,0,0,0,0,0|3,0,0]=4 567 B11R1.182 FCOc1cc(ccc1I)F 7a_100010084537_100015361967 [1,0,0,0,0,0|3,0,0]=4 568 B11R1.182 Nc1ccc(c(c1)OCF)Cl 34a_100011934209_100015361967 [1,0,0,0,0,0|3,0,0]=4 569 B11R1.182 Nc1ccc(c(c1)OCF)F 34a_100012017398_100015361967 [1,0,0,0,0,0|3,0,0]=4 570 B11R1.182 Nc1ccc(c(c1)OCF)F 7a_100012017398_100015361967 [1,0,0,0,0,0|3,0,0]=4 571 B11R1.182 Nc1ccc(c(c1)OCF)N 34a_100025717382_100015361967 [1,0,0,0,0,0|3,0,0]=4 572 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100011534360_100015361967 [1,0,0,0,0,0|2,1,0]=4 573 B11R1.182 Nc1ccc(c(c1)SCF)O 62a_100015361967_100011534360 [1,0,0,0,0,0|2,1,0]=4 574 B11R1.182 Nc1ccc(cc1OCF)Br 34a_100000739049_100015361967 [1,0,0,0,0,0|3,0,0]=4 575 B11R1.182 Nc1ccc(cc1OCF)Br 7a_100000739049_100015361967 [1,0,0,0,0,0|3,0,0]=4 576 B11R1.182 Nc1ccc(cc1OCF)Cl 34a_100000185728_100015361967 [1,0,0,0,0,0|3,0,0]=4 577 B11R1.182 Nc1ccc(cc1OCF)Cl 7a_100000185728_100015361967 [1,0,0,0,0,0|3,0,0]=4 578 B11R1.182 Nc1ccc(cc1OCF)F 34a_100000753323_100015361967 [1,0,0,0,0,0|3,0,0]=4 579 B11R1.182 Nc1ccc(cc1OCF)F 7a_100000753323_100015361967 [1,0,0,0,0,0|3,0,0]=4 580 B11R1.182 Nc1ccc(cc1OCF)I 34a_100000057187_100015361967 [1,0,0,0,0,0|3,0,0]=4 581 B11R1.182 Nc1ccc(cc1OCF)I 7a_100000057187_100015361967 [1,0,0,0,0,0|3,0,0]=4 582 B11R1.182 O=c1cc(c(c[nH]1)Cl)OCF 34a_100000069390_100015361967 [1,0,0,0,0,0|3,0,0]=4 583 B11R1.182 Oc1ccc(c(c1)SCF)O 62a_100015361967_100009813629 [1,0,0,0,0,0|1,1,1]=4 584 B11R1.182 Oc1ccc(cc1NCF)Br 34a_100000752626_100015361967 [1,0,0,0,0,0|3,0,0]=4 585 B11R1.182 Oc1ccc(cc1NCF)Cl 34a_100000210500_100015361967 [1,0,0,0,0,0|3,0,0]=4 586 B11R1.182 Oc1ccc(cc1NCF)F 34a_100000759472_100015361967 [1,0,0,0,0,0|3,0,0]=4 587 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100012355227_100015361967 [1,0,0,0,0,0|2,1,0]=4 588 B11R1.182 Oc1ccc(cc1SCF)Br 62a_100015361967_100012355227 [1,0,0,0,0,0|2,1,0]=4 589 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100011356953_100015361967 [1,0,0,0,0,0|2,1,0]=4 590 B11R1.182 Oc1ccc(cc1SCF)Cl 62a_100015361967_100011356953 [1,0,0,0,0,0|2,1,0]=4 591 B11R1.182 Oc1ccc(cc1SCF)F 62a_100000211999_100015361967 [1,0,0,0,0,0|2,1,0]=4 592 B11R1.182 Oc1ccc(cc1SCF)F 62a_100015361967_100000211999 [1,0,0,0,0,0|2,1,0]=4 593 B11R1.182 [13CH3]NCc1cc(ccc1O)Br 34a_100000730032_200025704644 [1,0,0,0,0,0|3,0,0]=4 594 B11R1.182 [13CH3]NCc1cc(ccc1O)Cl 34a_100000238540_200025704644 [1,0,0,0,0,0|3,0,0]=4 595 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_100010161318_200025704644 [1,0,0,0,0,0|3,0,0]=4 596 B11R1.182 [13CH3]SCc1cc(ccc1O)F 62a_200025704644_100010161318 [1,0,0,0,0,0|3,0,0]=4 597 B11R1.189 C#Cc1cccc(c1)NCC 2230a_100000735509_100000210202 [1,0,0,0,0,0|2,0,1]=4 598 B11R1.189 C#Cc1cccc(c1)NCC 34a_100000735509_100000210202 [1,0,0,0,0,0|2,0,1]=4 599 B11R1.189 C#Cc1cccc(c1)OCC 34a_100011216014_100000210202 [1,0,0,0,0,0|1,0,1]=3 600 B11R1.189 C#Cc1cccc(c1)OCC 7a_100011216014_100000210202 [1,0,0,0,0,0|1,0,1]=3 601 B11R1.189 C#Cc1cccc(c1)OCF 34a_100011216014_100015361967 [1,0,0,0,0,0|2,0,1]=4 602 B11R1.189 C#Cc1cccc(c1)OCF 7a_100011216014_100015361967 [1,0,0,0,0,0|2,0,1]=4 603 B11R1.189 C=C=Cc1cccc(c1)C=O 271570a_100015277604_100000014684 [1,0,0,0,0,0|1,0,2]=4 604 B11R1.189 C=Cc1cc(ccn1)OCC 271570a_100011290941_100011922638 [1,0,0,0,0,0|2,0,0]=3 605 B11R1.189 C=Cc1cc(ccn1)SCC 62a_100000210202_100009845566 [1,0,0,0,0,0|2,1,0]=4 606 B11R1.189 C=Cc1cc(ccn1)SCC 62a_100009845566_100000210202 [1,0,0,0,0,0|2,1,0]=4 607 B11R1.189 C=Cc1cc(ncn1)OCC 271570a_100011290941_100000765465 [1,0,0,0,0,0|3,0,0]=4 608 B11R1.189 C=Cc1cccc(c1)C#CC 271570a_100011290941_200009843338 [1,0,0,0,0,0|2,0,1]=4 609 B11R1.189 C=Cc1cccc(c1)CCC 271570a_100011290941_100000694964 [1,0,0,0,0,0|2,0,0]=3 610 B11R1.189 C=Cc1cccc(c1)CCN 271570a_100011290941_100011207229 [1,0,0,0,0,0|3,0,0]=4 611 B11R1.189 C=Cc1cccc(c1)CCO 271570a_100011290941_100011217444 [1,0,0,0,0,0|3,0,0]=4 612 B11R1.189 C=Cc1cccc(c1)CNC 26a_100102657272_100011309434 [1,0,0,0,0,0|3,0,0]=4 613 B11R1.189 C=Cc1cccc(c1)CNC 270004a_106832991635_100011218069 [1,0,0,0,0,0|3,0,0]=4 614 B11R1.189 C=Cc1cccc(c1)CNC 271570a_100011290941_100000187585 [1,0,0,0,0,0|3,0,0]=4 615 B11R1.189 C=Cc1cccc(c1)COC 271570a_100011290941_100011493687 [1,0,0,0,0,0|3,0,0]=4 616 B11R1.189 C=Cc1cccc(c1)NCC 271570a_100011290941_100000738899 [1,0,0,0,0,0|2,0,0]=3 617 B11R1.189 C=Cc1cccc(c1)NCC 34a_100011827668_100000210202 [1,0,0,0,0,0|2,0,0]=3 618 B11R1.189 C=Cc1cccc(c1)NCF 34a_100011827668_100015361967 [1,0,0,0,0,0|3,0,0]=4 619 B11R1.189 C=Cc1cccc(c1)OCC 271570a_100011290941_100000170002 [1,0,0,0,0,0|1,0,0]=2 620 B11R1.189 C=Cc1cccc(c1)OCC 34a_100011309434_100000210202 [1,0,0,0,0,0|1,0,0]=2 621 B11R1.189 C=Cc1cccc(c1)OCC 7a_100011309434_100000210202 [1,0,0,0,0,0|1,0,0]=2 622 B11R1.189 C=Cc1cccc(c1)OCF 34a_100011309434_100015361967 [1,0,0,0,0,0|2,0,0]=3 623 B11R1.189 C=Cc1cccc(c1)OCF 7a_100011309434_100015361967 [1,0,0,0,0,0|2,0,0]=3 624 B11R1.189 C=Cc1cccc(c1)SCC 271570a_100011290941_100000703699 [1,0,0,0,0,0|1,1,0]=3 625 B11R1.189 C=Cc1cccc(c1)SCC 62a_100000210202_100011215241 [1,0,0,0,0,0|1,1,0]=3 626 B11R1.189 C=Cc1cccc(c1)SCC 62a_100011215241_100000210202 [1,0,0,0,0,0|1,1,0]=3 627 B11R1.189 C=Cc1cccc(c1)SCF 62a_100011215241_100015361967 [1,0,0,0,0,0|2,1,0]=4 628 B11R1.189 C=Cc1cccc(c1)SCF 62a_100015361967_100011215241 [1,0,0,0,0,0|2,1,0]=4 629 B11R1.189 C=Cc1cccc(n1)NCC 271570a_100011290941_200020678610 [1,0,0,0,0,0|3,0,0]=4 630 B11R1.189 C=Cc1cccc(n1)OCC 271570a_100011290941_100000752924 [1,0,0,0,0,0|2,0,0]=3 631 B11R1.189 C=Cc1ccnc(c1)OCC 271570a_100011290941_100009995528 [1,0,0,0,0,0|2,0,0]=3 632 B11R1.189 C=Cc1cncc(c1)OCC 271570a_100011290941_100012029586 [1,0,0,0,0,0|2,0,0]=3 633 B11R1.189 C=Cc1cncc(c1)SCC 62a_100000210202_200012180632 [1,0,0,0,0,0|2,1,0]=4 634 B11R1.189 C=Cc1cncc(c1)SCC 62a_200012180632_100000210202 [1,0,0,0,0,0|2,1,0]=4 635 B11R1.189 C=Cc1cncc(n1)OCC 271570a_100011290941_100000757043 [1,0,0,0,0,0|3,0,0]=4 636 B11R1.189 C=Cc1nccc(n1)OCC 271570a_100011290941_100011649779 [1,0,0,0,0,0|3,0,0]=4 637 B11R1.189 CC=Cc1cc(ccn1)C=O 271570a_100016259895_100011290808 [1,0,0,0,0,0|2,0,1]=4 638 B11R1.189 CC=Cc1cccc(c1)C=O 271570a_100016259895_100000014684 [1,0,0,0,0,0|1,0,1]=3 639 B11R1.189 CC=Cc1cccc(n1)C=O 271570a_100016259895_100000688028 [1,0,0,0,0,0|2,0,1]=4 640 B11R1.189 CC=Cc1ccnc(c1)C=O 271570a_100016259895_100011998288 [1,0,0,0,0,0|2,0,1]=4 641 B11R1.189 CC=Cc1cncc(c1)C=O 271570a_100016259895_100000687066 [1,0,0,0,0,0|2,0,1]=4 642 B11R1.189 CCCc1cccc(c1)OC 34a_100000039106_200000210301 [1,0,0,0,0,0|3,0,0]=4 643 B11R1.189 CCCc1cccc(c1)OC 7a_100000039106_200000210301 [1,0,0,0,0,0|3,0,0]=4 644 B11R1.189 CCCc1cccc(c1)O[13CH3] 34a_100000039106_200025704644 [1,0,0,0,0,0|3,0,0]=4 645 B11R1.189 CCCc1cccc(c1)O[13CH3] 7a_100000039106_200025704644 [1,0,0,0,0,0|3,0,0]=4 646 B11R1.189 CCCc1cccc(c1)SC 62a_100000694964_200000210301 [1,0,0,0,0,0|3,0,0]=4 647 B11R1.189 CCCc1cccc(c1)SC 62a_200000210301_100000694964 [1,0,0,0,0,0|3,0,0]=4 648 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_100000694964_200025704644 [1,0,0,0,0,0|3,0,0]=4 649 B11R1.189 CCCc1cccc(c1)S[13CH3] 62a_200025704644_100000694964 [1,0,0,0,0,0|3,0,0]=4 650 B11R1.189 CCNc1cccc(c1)C#N 34a_100000210922_100000210202 [1,0,0,0,0,0|2,0,1]=4 651 B11R1.189 CCNc1cccc(c1)C#N 7a_100000210922_100000210202 [1,0,0,0,0,0|2,0,1]=4 652 B11R1.189 CCNc1cccc(c1)CC 2230a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 653 B11R1.189 CCNc1cccc(c1)CC 34a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 654 B11R1.189 CCNc1cccc(c1)CC 7a_100000211250_100000210202 [1,0,0,0,0,0|2,0,1]=4 655 B11R1.189 CCNc1cccc(c1)CF 2230a_100000126320_100000210202 [1,0,0,0,0,0|2,0,1]=4 656 B11R1.189 CCNc1cccc(c1)CF 34a_100000126320_100000210202 [1,0,0,0,0,0|2,0,1]=4 657 B11R1.189 CCNc1cccc(c1)CF 7a_100000126320_100000210202 [1,0,0,0,0,0|2,0,1]=4 658 B11R1.189 CCNc1cccc(c1)CO 2230a_100000211919_100000210202 [1,0,0,0,0,0|1,0,2]=4 659 B11R1.189 CCNc1cccc(c1)CO 34a_100000211919_100000210202 [1,0,0,0,0,0|1,0,2]=4 660 B11R1.189 CCNc1cccc(c1)OC 34a_100000210024_100000210202 [1,0,0,0,0,0|3,0,0]=4 661 B11R1.189 CCNc1cccc(c1)OC 34a_100000717746_200000210301 [1,0,0,0,0,0|3,0,0]=4 662 B11R1.189 CCNc1cccc(c1)OC 7a_100000717746_200000210301 [1,0,0,0,0,0|3,0,0]=4 663 B11R1.189 CCNc1cccc(c1)O[13CH3] 34a_100000717746_200025704644 [1,0,0,0,0,0|3,0,0]=4 664 B11R1.189 CCNc1cccc(c1)O[13CH3] 7a_100000717746_200025704644 [1,0,0,0,0,0|3,0,0]=4 665 B11R1.189 CCNc1cccc(c1)SC 2230a_100000210049_100000210202 [1,0,0,0,0,0|3,0,0]=4 666 B11R1.189 CCNc1cccc(c1)SC 34a_100000210049_100000210202 [1,0,0,0,0,0|3,0,0]=4 667 B11R1.189 CCNc1cccc(c1)SC 62a_200000210301_100000738899 [1,0,0,0,0,0|3,0,0]=4 668 B11R1.189 CCNc1cccc(c1)S[13CH3] 62a_200025704644_100000738899 [1,0,0,0,0,0|3,0,0]=4 669 B11R1.189 CCOc1cc(ccn1)CN 34a_100000748557_100000210202 [1,0,0,0,0,0|2,0,1]=4 670 B11R1.189 CCOc1cc(ccn1)SC 62a_100009995528_200000210301 [1,0,0,0,0,0|3,0,0]=4 671 B11R1.189 CCOc1cc(ccn1)SC 62a_200000210301_100009995528 [1,0,0,0,0,0|3,0,0]=4 672 B11R1.189 CCOc1cc(ccn1)S[13CH3] 62a_100009995528_200025704644 [1,0,0,0,0,0|3,0,0]=4 673 B11R1.189 CCOc1cc(ccn1)S[13CH3] 62a_200025704644_100009995528 [1,0,0,0,0,0|3,0,0]=4 674 B11R1.189 CCOc1ccc[n+](c1)CC 34a_100000731997_100000210202 [1,0,0,0,0,0|2,0,1]=4 675 B11R1.189 CCOc1ccc[n+](c1)CC 7a_100000731997_100000210202 [1,0,0,0,0,0|2,0,1]=4 676 B11R1.189 CCOc1cccc(c1)C#N 34a_100000184713_100000210202 [1,0,0,0,0,0|1,0,1]=3 677 B11R1.189 CCOc1cccc(c1)C#N 7a_100000184713_100000210202 [1,0,0,0,0,0|1,0,1]=3 678 B11R1.189 CCOc1cccc(c1)CBr 34a_100011660834_100000210202 [1,0,0,0,0,0|1,0,1]=3 679 B11R1.189 CCOc1cccc(c1)CBr 7a_100011660834_100000210202 [1,0,0,0,0,0|1,0,1]=3 680 B11R1.189 CCOc1cccc(c1)CC 34a_100000211550_100000210202 [1,0,0,0,0,0|1,0,1]=3 681 B11R1.189 CCOc1cccc(c1)CC 7a_100000211550_100000210202 [1,0,0,0,0,0|1,0,1]=3 682 B11R1.189 CCOc1cccc(c1)CCl 34a_100000084143_100000210202 [1,0,0,0,0,0|1,0,1]=3 683 B11R1.189 CCOc1cccc(c1)CCl 7a_100000084143_100000210202 [1,0,0,0,0,0|1,0,1]=3 684 B11R1.189 CCOc1cccc(c1)CN 34a_100000743036_100000210202 [1,0,0,0,0,0|1,0,1]=3 685 B11R1.189 CCOc1cccc(c1)CO 34a_100011214949_100000210202 [1,0,0,0,0,0|0,0,2]=3 686 B11R1.189 CCOc1cccc(c1)CO 7a_100011214949_100000210202 [1,0,0,0,0,0|0,0,2]=3 687 B11R1.189 CCOc1cccc(c1)NC 2230a_100000742568_200000210301 [1,0,0,0,0,0|2,0,0]=3 688 B11R1.189 CCOc1cccc(c1)NC 34a_100000742568_200000210301 [1,0,0,0,0,0|2,0,0]=3 689 B11R1.189 CCOc1cccc(c1)NC 34a_100000756613_100000210202 [1,0,0,0,0,0|2,0,0]=3 690 B11R1.189 CCOc1cccc(c1)NC 7a_100000756613_100000210202 [1,0,0,0,0,0|2,0,0]=3 691 B11R1.189 CCOc1cccc(c1)N[13CH3] 2230a_100000742568_200025704644 [1,0,0,0,0,0|2,0,0]=3 692 B11R1.189 CCOc1cccc(c1)N[13CH3] 34a_100000742568_200025704644 [1,0,0,0,0,0|2,0,0]=3 693 B11R1.189 CCOc1cccc(c1)OC 34a_100000211255_100000210202 [1,0,0,0,0,0|2,0,0]=3 694 B11R1.189 CCOc1cccc(c1)OC 34a_100011215941_200000210301 [1,0,0,0,0,0|2,0,0]=3 695 B11R1.189 CCOc1cccc(c1)OC 7a_100000211255_100000210202 [1,0,0,0,0,0|2,0,0]=3 696 B11R1.189 CCOc1cccc(c1)OC 7a_100011215941_200000210301 [1,0,0,0,0,0|2,0,0]=3 697 B11R1.189 CCOc1cccc(c1)O[13CH3] 34a_100011215941_200025704644 [1,0,0,0,0,0|2,0,0]=3 698 B11R1.189 CCOc1cccc(c1)O[13CH3] 7a_100011215941_200025704644 [1,0,0,0,0,0|2,0,0]=3 699 B11R1.189 CCOc1cccc(c1)SC 34a_100011265683_100000210202 [1,0,0,0,0,0|2,0,0]=3 700 B11R1.189 CCOc1cccc(c1)SC 62a_200000210301_100000170002 [1,0,0,0,0,0|2,0,0]=3 701 B11R1.189 CCOc1cccc(c1)SC 7a_100011265683_100000210202 [1,0,0,0,0,0|2,0,0]=3 702 B11R1.189 CCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170002 [1,0,0,0,0,0|2,0,0]=3 703 B11R1.189 CCOc1cccc(n1)SC 62a_100000752924_200000210301 [1,0,0,0,0,0|3,0,0]=4 704 B11R1.189 CCOc1cccc(n1)SC 62a_200000210301_100000752924 [1,0,0,0,0,0|3,0,0]=4 705 B11R1.189 CCOc1cccc(n1)S[13CH3] 62a_100000752924_200025704644 [1,0,0,0,0,0|3,0,0]=4 706 B11R1.189 CCOc1cccc(n1)S[13CH3] 62a_200025704644_100000752924 [1,0,0,0,0,0|3,0,0]=4 707 B11R1.189 CCOc1ccnc(c1)C#N 34a_100011777083_100000210202 [1,0,0,0,0,0|2,0,1]=4 708 B11R1.189 CCOc1ccnc(c1)C#N 7a_100011777083_100000210202 [1,0,0,0,0,0|2,0,1]=4 709 B11R1.189 CCOc1ccnc(c1)NC 27a_100102657272_100009995529 [1,0,0,0,0,0|3,0,0]=4 710 B11R1.189 CCOc1ccnc(c1)OC 34a_100012181050_100000210202 [1,0,0,0,0,0|3,0,0]=4 711 B11R1.189 CCOc1ccnc(c1)SC 62a_100009995529_200000210301 [1,0,0,0,0,0|3,0,0]=4 712 B11R1.189 CCOc1ccnc(c1)SC 62a_200000210301_100011922638 [1,0,0,0,0,0|3,0,0]=4 713 B11R1.189 CCOc1ccnc(c1)S[13CH3] 62a_100009995529_200025704644 [1,0,0,0,0,0|3,0,0]=4 714 B11R1.189 CCOc1ccnc(c1)S[13CH3] 62a_200025704644_100011922638 [1,0,0,0,0,0|3,0,0]=4 715 B11R1.189 CCOc1cncc(c1)C#N 34a_100012002025_100000210202 [1,0,0,0,0,0|2,0,1]=4 716 B11R1.189 CCOc1cncc(c1)C#N 7a_100012002025_100000210202 [1,0,0,0,0,0|2,0,1]=4 717 B11R1.189 CCOc1cncc(c1)CC 34a_200009861530_100000210202 [1,0,0,0,0,0|2,0,1]=4 718 B11R1.189 CCOc1cncc(c1)CC 7a_200009861530_100000210202 [1,0,0,0,0,0|2,0,1]=4 719 B11R1.189 CCOc1cncc(c1)OC 34a_100000084572_100000210202 [1,0,0,0,0,0|3,0,0]=4 720 B11R1.189 CCOc1cncc(c1)OC 7a_100000084572_100000210202 [1,0,0,0,0,0|3,0,0]=4 721 B11R1.189 CCOc1cncc(c1)SC 62a_100012029586_200000210301 [1,0,0,0,0,0|3,0,0]=4 722 B11R1.189 CCOc1cncc(c1)SC 62a_200000210301_100012029586 [1,0,0,0,0,0|3,0,0]=4 723 B11R1.189 CCOc1cncc(c1)S[13CH3] 62a_100012029586_200025704644 [1,0,0,0,0,0|3,0,0]=4 724 B11R1.189 CCOc1cncc(c1)S[13CH3] 62a_200025704644_100012029586 [1,0,0,0,0,0|3,0,0]=4 725 B11R1.189 CCSc1cc(ccn1)C=O 62a_100000210202_100011290808 [1,0,0,0,0,0|1,1,0]=3 726 B11R1.189 CCSc1cc(ccn1)C=O 62a_100011290808_100000210202 [1,0,0,0,0,0|1,1,0]=3 727 B11R1.189 CCSc1cccc(c1)C#N 62a_100000210202_100000189340 [1,0,0,0,0,0|1,1,1]=4 728 B11R1.189 CCSc1cccc(c1)C=O 62a_100000014684_100000210202 [1,0,0,0,0,0|0,1,0]=2 729 B11R1.189 CCSc1cccc(c1)C=O 62a_100000210202_100000014684 [1,0,0,0,0,0|0,1,0]=2 730 B11R1.189 CCSc1cccc(c1)CC 62a_100000210202_100011263222 [1,0,0,0,0,0|1,1,1]=4 731 B11R1.189 CCSc1cccc(c1)CC 62a_100011263222_100000210202 [1,0,0,0,0,0|1,1,1]=4 732 B11R1.189 CCSc1cccc(c1)CF 62a_100000210202_100010878472 [1,0,0,0,0,0|1,1,1]=4 733 B11R1.189 CCSc1cccc(c1)CF 62a_100010878472_100000210202 [1,0,0,0,0,0|1,1,1]=4 734 B11R1.189 CCSc1cccc(c1)CN 62a_100000106179_100000210202 [1,0,0,0,0,0|1,1,1]=4 735 B11R1.189 CCSc1cccc(c1)CN 62a_100000210202_100000106179 [1,0,0,0,0,0|1,1,1]=4 736 B11R1.189 CCSc1cccc(c1)CO 62a_100000210202_100000687537 [1,0,0,0,0,0|0,1,2]=4 737 B11R1.189 CCSc1cccc(c1)CO 62a_100000687537_100000210202 [1,0,0,0,0,0|0,1,2]=4 738 B11R1.189 CCSc1cccc(c1)NC 62a_100000210202_100000219648 [1,0,0,0,0,0|2,1,0]=4 739 B11R1.189 CCSc1cccc(c1)NC 62a_100000219648_100000210202 [1,0,0,0,0,0|2,1,0]=4 740 B11R1.189 CCSc1cccc(c1)NN 62a_100000210202_100000217339 [1,0,0,0,0,0|2,1,0]=4 741 B11R1.189 CCSc1cccc(c1)NN 62a_100000217339_100000210202 [1,0,0,0,0,0|2,1,0]=4 742 B11R1.189 CCSc1cccc(c1)OC 62a_100000210202_100000170001 [1,0,0,0,0,0|2,1,0]=4 743 B11R1.189 CCSc1cccc(c1)SC 62a_100000210202_100011215954 [1,0,0,0,0,0|2,1,0]=4 744 B11R1.189 CCSc1cccc(c1)SC 62a_100000703699_200000210301 [1,0,0,0,0,0|2,1,0]=4 745 B11R1.189 CCSc1cccc(c1)SC 62a_100011215954_100000210202 [1,0,0,0,0,0|2,1,0]=4 746 B11R1.189 CCSc1cccc(c1)SC 62a_200000210301_100000703699 [1,0,0,0,0,0|2,1,0]=4 747 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_100000703699_200025704644 [1,0,0,0,0,0|2,1,0]=4 748 B11R1.189 CCSc1cccc(c1)S[13CH3] 62a_200025704644_100000703699 [1,0,0,0,0,0|2,1,0]=4 749 B11R1.189 CCSc1cccc(n1)C=O 62a_100000210202_100000688028 [1,0,0,0,0,0|1,1,0]=3 750 B11R1.189 CCSc1cccc(n1)C=O 62a_100000688028_100000210202 [1,0,0,0,0,0|1,1,0]=3 751 B11R1.189 CCSc1ccnc(c1)C=O 62a_100000210202_100011998288 [1,0,0,0,0,0|1,1,0]=3 752 B11R1.189 CCSc1ccnc(c1)C=O 62a_100011998288_100000210202 [1,0,0,0,0,0|1,1,0]=3 753 B11R1.189 CCSc1cncc(c1)C=O 62a_100000210202_100000687066 [1,0,0,0,0,0|1,1,0]=3 754 B11R1.189 CCSc1cncc(c1)C=O 62a_100000687066_100000210202 [1,0,0,0,0,0|1,1,0]=3 755 B11R1.189 CCc1cccc(c1)OCF 34a_100000211550_100015361967 [1,0,0,0,0,0|2,0,1]=4 756 B11R1.189 CCc1cccc(c1)OCF 7a_100000211550_100015361967 [1,0,0,0,0,0|2,0,1]=4 757 B11R1.189 CNCc1cccc(c1)C=O 2230a_106832991635_100009816774 [1,0,0,0,0,0|2,0,0]=3 758 B11R1.189 CNCc1cccc(c1)C=O 34a_100102657272_100009816774 [1,0,0,0,0,0|2,0,0]=3 759 B11R1.189 CNCc1cccc(c1)C=O 7a_106832991635_100009816774 [1,0,0,0,0,0|2,0,0]=3 760 B11R1.189 CNc1cccc(c1)OCF 34a_100000756613_100015361967 [1,0,0,0,0,0|3,0,0]=4 761 B11R1.189 CNc1cccc(c1)OCF 7a_100000756613_100015361967 [1,0,0,0,0,0|3,0,0]=4 762 B11R1.189 COCc1cccc(c1)C=O 34a_100138415774_100009816774 [1,0,0,0,0,0|2,0,0]=3 763 B11R1.189 COc1cccc(c1)OCF 34a_100000211255_100015361967 [1,0,0,0,0,0|3,0,0]=4 764 B11R1.189 COc1cccc(c1)OCF 7a_100000211255_100015361967 [1,0,0,0,0,0|3,0,0]=4 765 B11R1.189 CSCc1cccc(c1)C=O 62a_100009816774_200000210301 [1,0,0,0,0,0|2,0,0]=3 766 B11R1.189 CSCc1cccc(c1)C=O 62a_200000210301_100009816774 [1,0,0,0,0,0|2,0,0]=3 767 B11R1.189 CSc1cccc(c1)OCF 34a_100011265683_100015361967 [1,0,0,0,0,0|3,0,0]=4 768 B11R1.189 CSc1cccc(c1)OCF 7a_100011265683_100015361967 [1,0,0,0,0,0|3,0,0]=4 769 B11R1.189 FCOc1cccc(c1)CBr 34a_100011660834_100015361967 [1,0,0,0,0,0|2,0,1]=4 770 B11R1.189 FCOc1cccc(c1)CBr 7a_100011660834_100015361967 [1,0,0,0,0,0|2,0,1]=4 771 B11R1.189 FCOc1cccc(c1)CCl 34a_100000084143_100015361967 [1,0,0,0,0,0|2,0,1]=4 772 B11R1.189 FCOc1cccc(c1)CCl 7a_100000084143_100015361967 [1,0,0,0,0,0|2,0,1]=4 773 B11R1.189 N#Cc1cccc(c1)OCF 34a_100000184713_100015361967 [1,0,0,0,0,0|2,0,1]=4 774 B11R1.189 N#Cc1cccc(c1)OCF 7a_100000184713_100015361967 [1,0,0,0,0,0|2,0,1]=4 775 B11R1.189 NCc1cccc(c1)OCF 34a_100000743036_100015361967 [1,0,0,0,0,0|2,0,1]=4 776 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100011998288_100015361967 [1,0,0,0,0,0|2,1,0]=4 777 B11R1.189 O=Cc1cc(ccn1)SCF 62a_100015361967_100011998288 [1,0,0,0,0,0|2,1,0]=4 778 B11R1.189 O=Cc1cccc(c1)SCF 62a_100000014684_100015361967 [1,0,0,0,0,0|1,1,0]=3 779 B11R1.189 O=Cc1cccc(c1)SCF 62a_100015361967_100000014684 [1,0,0,0,0,0|1,1,0]=3 780 B11R1.189 O=Cc1cccc(n1)SCF 62a_100000688028_100015361967 [1,0,0,0,0,0|2,1,0]=4 781 B11R1.189 O=Cc1cccc(n1)SCF 62a_100015361967_100000688028 [1,0,0,0,0,0|2,1,0]=4 782 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100011290808_100015361967 [1,0,0,0,0,0|2,1,0]=4 783 B11R1.189 O=Cc1ccnc(c1)SCF 62a_100015361967_100011290808 [1,0,0,0,0,0|2,1,0]=4 784 B11R1.189 O=Cc1cncc(c1)SCF 62a_100000687066_100015361967 [1,0,0,0,0,0|2,1,0]=4 785 B11R1.189 O=Cc1cncc(c1)SCF 62a_100015361967_100000687066 [1,0,0,0,0,0|2,1,0]=4 786 B11R1.189 OCc1cccc(c1)OCF 34a_100011214949_100015361967 [1,0,0,0,0,0|1,0,2]=4 787 B11R1.189 OCc1cccc(c1)OCF 7a_100011214949_100015361967 [1,0,0,0,0,0|1,0,2]=4 788 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_100009816774_200025704644 [1,0,0,0,0,0|2,0,0]=3 789 B11R1.189 [13CH3]SCc1cccc(c1)C=O 62a_200025704644_100009816774 [1,0,0,0,0,0|2,0,0]=3 790 B11R1.280 C=Cc1c[nH]c(=O)c(c1)OC 271570a_100011290941_100010125397 [1,0,0,0,0,0|2,0,1]=4 791 B11R1.280 C=Cc1cc(c(cn1)C)OC 271570a_100011290941_100010067687 [1,0,0,0,0,0|3,0,0]=4 792 B11R1.280 C=Cc1cc(c(cn1)F)OC 271570a_100011290941_200010136270 [1,0,0,0,0,0|3,0,0]=4 793 B11R1.280 C=Cc1cc(c(cn1)N)OC 271570a_100011290941_100009887741 [1,0,0,0,0,0|3,0,0]=4 794 B11R1.280 C=Cc1cc(ccc1Br)C=O 271570a_100011290941_100010146563 [1,0,0,0,0,0|1,0,2]=4 795 B11R1.280 C=Cc1cc(ccc1C)C=O 271570a_100011290941_100000695567 [1,0,0,0,0,0|1,0,2]=4 796 B11R1.280 C=Cc1cc(ccc1Cl)C=O 271570a_100011290941_100010209939 [1,0,0,0,0,0|1,0,2]=4 797 B11R1.280 C=Cc1cc(ccc1F)C=O 271570a_100011290941_100000211747 [1,0,0,0,0,0|1,0,2]=4 798 B11R1.280 C=Cc1cc(ccc1O)C=O 271570a_100011290941_100000184552 [1,0,0,0,0,0|0,0,2]=3 799 B11R1.280 C=Cc1cc(cnc1O)C=O 271570a_100011290941_100010064886 [1,0,0,0,0,0|1,0,2]=4 800 B11R1.280 C=Cc1ccc(=O)n(c1)CC 271570a_100011290941_100000231005 [1,0,0,0,0,0|2,0,1]=4 801 B11R1.280 C=Cc1ccc(c(c1)C#N)O 271570a_100011290941_100000687585 [1,0,0,0,0,0|2,0,1]=4 802 B11R1.280 C=Cc1ccc(c(c1)C=O)O 271570a_100011290941_100000186750 [1,0,0,0,0,0|2,0,1]=4 803 B11R1.280 C=Cc1ccc(c(c1)CC)Br 271570a_100011290941_100010244631 [1,0,0,0,0,0|2,0,0]=3 804 B11R1.280 C=Cc1ccc(c(c1)CC)F 271570a_100011290941_100010244625 [1,0,0,0,0,0|2,0,0]=3 805 B11R1.280 C=Cc1ccc(c(c1)CC)N 271570a_100011290941_100000686106 [1,0,0,0,0,0|2,0,0]=3 806 B11R1.280 C=Cc1ccc(c(c1)CC)O 271570a_100011290941_100012338938 [1,0,0,0,0,0|1,0,0]=2 807 B11R1.280 C=Cc1ccc(c(c1)CN)F 271570a_100011290941_100009815772 [1,0,0,0,0,0|3,0,0]=4 808 B11R1.280 C=Cc1ccc(c(c1)CN)N 271570a_100011290941_100012349119 [1,0,0,0,0,0|3,0,0]=4 809 B11R1.280 C=Cc1ccc(c(c1)CN)O 271570a_100011290941_100000730032 [1,0,0,0,0,0|2,0,0]=3 810 B11R1.280 C=Cc1ccc(c(c1)CO)Br 271570a_100011290941_100012359683 [1,0,0,0,0,0|3,0,0]=4 811 B11R1.280 C=Cc1ccc(c(c1)CO)C 271570a_100011290941_100000700630 [1,0,0,0,0,0|3,0,0]=4 812 B11R1.280 C=Cc1ccc(c(c1)CO)Cl 271570a_100011290941_100010128486 [1,0,0,0,0,0|3,0,0]=4 813 B11R1.280 C=Cc1ccc(c(c1)CO)F 271570a_100011290941_100000049604 [1,0,0,0,0,0|3,0,0]=4 814 B11R1.280 C=Cc1ccc(c(c1)CO)N 271570a_100011290941_100012353972 [1,0,0,0,0,0|3,0,0]=4 815 B11R1.280 C=Cc1ccc(c(c1)CO)O 271570a_100011290941_100000184703 [1,0,0,0,0,0|2,0,0]=3 816 B11R1.280 C=Cc1ccc(c(c1)NC)C 271570a_100011290941_100020629602 [1,0,0,0,0,0|3,0,0]=4 817 B11R1.280 C=Cc1ccc(c(c1)NC)F 271570a_100011290941_100011314990 [1,0,0,0,0,0|3,0,0]=4 818 B11R1.280 C=Cc1ccc(c(c1)NC)N 271570a_100011290941_100000694363 [1,0,0,0,0,0|3,0,0]=4 819 B11R1.280 C=Cc1ccc(c(c1)OC)Br 271570a_100011290941_100012353699 [1,0,0,0,0,0|2,0,0]=3 820 B11R1.280 C=Cc1ccc(c(c1)OC)C 271570a_100011290941_100011830276 [1,0,0,0,0,0|2,0,0]=3 821 B11R1.280 C=Cc1ccc(c(c1)OC)Cl 271570a_100011290941_100011356853 [1,0,0,0,0,0|2,0,0]=3 822 B11R1.280 C=Cc1ccc(c(c1)OC)F 271570a_100011290941_100011934186 [1,0,0,0,0,0|2,0,0]=3 823 B11R1.280 C=Cc1ccc(c(c1)OC)N 271570a_100011290941_100011279103 [1,0,0,0,0,0|2,0,0]=3 824 B11R1.280 C=Cc1ccc(c(c1)OC)O 271570a_100011290941_100000694246 [1,0,0,0,0,0|1,0,0]=2 825 B11R1.280 C=Cc1ccc(c(c1)SC)F 271570a_100011290941_100010341305 [1,0,0,0,0,0|2,1,0]=4 826 B11R1.280 C=Cc1ccc(c(n1)CC)N 271570a_100011290941_100009871203 [1,0,0,0,0,0|3,0,0]=4 827 B11R1.280 C=Cc1ccc(c(n1)OC)N 271570a_100011290941_100000687816 [1,0,0,0,0,0|3,0,0]=4 828 B11R1.280 C=Cc1ccc(c(n1)OC)O 271570a_100011290941_100010893133 [1,0,0,0,0,0|2,0,0]=3 829 B11R1.280 C=Cc1cnc(c(c1)CO)O 271570a_100011290941_100010065268 [1,0,0,0,0,0|3,0,0]=4 830 B11R1.280 C=Cc1cnc(c(c1)OC)C 271570a_100011290941_100010254219 [1,0,0,0,0,0|3,0,0]=4 831 B11R1.280 C=Cc1cnc(c(c1)OC)F 271570a_100011290941_100010214931 [1,0,0,0,0,0|3,0,0]=4 832 B11R1.280 C=Cc1cnc(c(c1)OC)N 271570a_100011290941_106354213024 [1,0,0,0,0,0|3,0,0]=4 833 B11R1.280 C=Cc1cnc(c(n1)OC)O 271570a_100011290941_200010365344 [1,0,0,0,0,0|3,0,0]=4 834 B11R1.280 CCc1cc(ccc1Br)NC 2230a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 835 B11R1.280 CCc1cc(ccc1Br)NC 34a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 836 B11R1.280 CCc1cc(ccc1Br)NC 7a_100010109747_200000210301 [1,0,0,0,0,0|3,0,0]=4 837 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 2230a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 838 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 34a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 839 B11R1.280 CCc1cc(ccc1Br)N[13CH3] 7a_100010109747_200025704644 [1,0,0,0,0,0|3,0,0]=4 840 B11R1.280 CCc1cc(ccc1Br)SC 62a_100010244631_200000210301 [1,0,0,0,0,0|3,0,0]=4 841 B11R1.280 CCc1cc(ccc1Br)SC 62a_200000210301_100010244631 [1,0,0,0,0,0|3,0,0]=4 842 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_100010244631_200025704644 [1,0,0,0,0,0|3,0,0]=4 843 B11R1.280 CCc1cc(ccc1Br)S[13CH3] 62a_200025704644_100010244631 [1,0,0,0,0,0|3,0,0]=4 844 B11R1.280 CCc1cc(ccc1Cl)OC 34a_100000212063_200000210301 [1,0,0,0,0,0|3,0,0]=4 845 B11R1.280 CCc1cc(ccc1Cl)OC 7a_100000212063_200000210301 [1,0,0,0,0,0|3,0,0]=4 846 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 34a_100000212063_200025704644 [1,0,0,0,0,0|3,0,0]=4 847 B11R1.280 CCc1cc(ccc1Cl)O[13CH3] 7a_100000212063_200025704644 [1,0,0,0,0,0|3,0,0]=4 848 B11R1.280 CCc1cc(ccc1F)SC 62a_100010244625_200000210301 [1,0,0,0,0,0|3,0,0]=4 849 B11R1.280 CCc1cc(ccc1F)SC 62a_200000210301_100010244625 [1,0,0,0,0,0|3,0,0]=4 850 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_100010244625_200025704644 [1,0,0,0,0,0|3,0,0]=4 851 B11R1.280 CCc1cc(ccc1F)S[13CH3] 62a_200025704644_100010244625 [1,0,0,0,0,0|3,0,0]=4 852 B11R1.280 CCc1cc(ccc1N)SC 62a_100000686106_200000210301 [1,0,0,0,0,0|3,0,0]=4 853 B11R1.280 CCc1cc(ccc1N)SC 62a_200000210301_100000686106 [1,0,0,0,0,0|3,0,0]=4 854 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_100000686106_200025704644 [1,0,0,0,0,0|3,0,0]=4 855 B11R1.280 CCc1cc(ccc1N)S[13CH3] 62a_200025704644_100000686106 [1,0,0,0,0,0|3,0,0]=4 856 B11R1.280 CCc1cc(ccc1O)C#N 271570a_203496583355_100010115944 [1,0,0,0,0,0|1,0,1]=3 857 B11R1.280 CCc1cc(ccc1O)OC 271570a_203496583355_100000720562 [1,0,0,0,0,0|2,0,0]=3 858 B11R1.280 CCc1cc(ccc1O)SC 62a_200000210301_100012338938 [1,0,0,0,0,0|2,0,0]=3 859 B11R1.280 CCc1cc(ccc1O)S[13CH3] 62a_200025704644_100012338938 [1,0,0,0,0,0|2,0,0]=3 860 B11R1.280 CCc1ccc(c(c1)NC)O 34a_100000765835_200000210301 [1,0,0,0,0,0|2,0,1]=4 861 B11R1.280 CCc1ccc(c(c1)N[13CH3])O 34a_100000765835_200025704644 [1,0,0,0,0,0|2,0,1]=4 862 B11R1.280 CCc1ccc(c(c1)OC)N 34a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 863 B11R1.280 CCc1ccc(c(c1)OC)N 7a_100000124328_200000210301 [1,0,0,0,0,0|2,0,1]=4 864 B11R1.280 CCc1ccc(c(c1)OC)O 271570a_203496583355_200010710389 [1,0,0,0,0,0|1,0,1]=3 865 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 34a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 866 B11R1.280 CCc1ccc(c(c1)O[13CH3])N 7a_100000124328_200025704644 [1,0,0,0,0,0|2,0,1]=4 867 B11R1.280 CCc1ccc(c(c1)SC)O 62a_100012339963_200000210301 [1,0,0,0,0,0|1,1,1]=4 868 B11R1.280 CCc1ccc(c(c1)SC)O 62a_200000210301_100012339963 [1,0,0,0,0,0|1,1,1]=4 869 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_100012339963_200025704644 [1,0,0,0,0,0|1,1,1]=4 870 B11R1.280 CCc1ccc(c(c1)S[13CH3])O 62a_200025704644_100012339963 [1,0,0,0,0,0|1,1,1]=4 871 B11R1.280 CNc1cc(ccc1O)C#N 34a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 872 B11R1.280 CNc1cc(ccc1O)C#N 7a_100000766272_200000210301 [1,0,0,0,0,0|2,0,1]=4 873 B11R1.280 CNc1cc(ccc1O)CO 34a_100000123545_200000210301 [1,0,0,0,0,0|1,0,2]=4 874 B11R1.280 CNc1cc(ccc1O)OC 34a_100000188146_200000210301 [1,0,0,0,0,0|3,0,0]=4 875 B11R1.280 CNc1ccc(c(c1)OC)Br 2230a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 876 B11R1.280 CNc1ccc(c(c1)OC)Br 34a_100000765947_200000210301 [1,0,0,0,0,0|3,0,0]=4 877 B11R1.280 CNc1ccc(c(c1)OC)C 2230a_100011279678_200000210301 [1,0,0,0,0,0|3,0,0]=4 878 B11R1.280 CNc1ccc(c(c1)OC)C 34a_100011279678_200000210301 [1,0,0,0,0,0|3,0,0]=4 879 B11R1.280 CNc1ccc(c(c1)OC)Cl 2230a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 880 B11R1.280 CNc1ccc(c(c1)OC)Cl 34a_100000742311_200000210301 [1,0,0,0,0,0|3,0,0]=4 881 B11R1.280 CNc1ccc(c(c1)OC)F 2230a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 882 B11R1.280 CNc1ccc(c(c1)OC)F 34a_100000701188_200000210301 [1,0,0,0,0,0|3,0,0]=4 883 B11R1.280 CNc1ccc(c(c1)OC)I 34a_100000746945_200000210301 [1,0,0,0,0,0|3,0,0]=4 884 B11R1.280 CNc1ccc(c(c1)OC)O 34a_100000726020_200000210301 [1,0,0,0,0,0|2,0,0]=3 885 B11R1.280 COc1cc(c(cn1)O)OC 271570a_203496583355_100010191559 [1,0,0,0,0,0|3,0,0]=4 886 B11R1.280 COc1cc(ccc1Br)C#N 34a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 887 B11R1.280 COc1cc(ccc1Br)C#N 7a_100009877741_200000210301 [1,0,0,0,0,0|2,0,1]=4 888 B11R1.280 COc1cc(ccc1Br)CO 34a_100010191536_200000210301 [1,0,0,0,0,0|1,0,2]=4 889 B11R1.280 COc1cc(ccc1Br)CO 7a_100010191536_200000210301 [1,0,0,0,0,0|1,0,2]=4 890 B11R1.280 COc1cc(ccc1Br)N[13CH3] 2230a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 891 B11R1.280 COc1cc(ccc1Br)N[13CH3] 34a_100000765947_200025704644 [1,0,0,0,0,0|3,0,0]=4 892 B11R1.280 COc1cc(ccc1Br)O[13CH3] 34a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 893 B11R1.280 COc1cc(ccc1Br)O[13CH3] 7a_100011827694_200025704644 [1,0,0,0,0,0|3,0,0]=4 894 B11R1.280 COc1cc(ccc1Br)SC 62a_100012353699_200000210301 [1,0,0,0,0,0|3,0,0]=4 895 B11R1.280 COc1cc(ccc1Br)SC 62a_200000210301_100012353699 [1,0,0,0,0,0|3,0,0]=4 896 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_100012353699_200025704644 [1,0,0,0,0,0|3,0,0]=4 897 B11R1.280 COc1cc(ccc1Br)S[13CH3] 62a_200025704644_100012353699 [1,0,0,0,0,0|3,0,0]=4 898 B11R1.280 COc1cc(ccc1C)C#N 34a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 899 B11R1.280 COc1cc(ccc1C)C#N 7a_100000765541_200000210301 [1,0,0,0,0,0|2,0,1]=4 900 B11R1.280 COc1cc(ccc1C)N[13CH3] 2230a_100011279678_200025704644 [1,0,0,0,0,0|3,0,0]=4 901 B11R1.280 COc1cc(ccc1C)N[13CH3] 34a_100011279678_200025704644 [1,0,0,0,0,0|3,0,0]=4 902 B11R1.280 COc1cc(ccc1C)O[13CH3] 34a_100009865632_200025704644 [1,0,0,0,0,0|3,0,0]=4 903 B11R1.280 COc1cc(ccc1C)O[13CH3] 7a_100009865632_200025704644 [1,0,0,0,0,0|3,0,0]=4 904 B11R1.280 COc1cc(ccc1C)SC 62a_100011830276_200000210301 [1,0,0,0,0,0|3,0,0]=4 905 B11R1.280 COc1cc(ccc1C)SC 62a_200000210301_100011830276 [1,0,0,0,0,0|3,0,0]=4 906 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_100011830276_200025704644 [1,0,0,0,0,0|3,0,0]=4 907 B11R1.280 COc1cc(ccc1C)S[13CH3] 62a_200025704644_100011830276 [1,0,0,0,0,0|3,0,0]=4 908 B11R1.280 COc1cc(ccc1Cl)C#N 34a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 909 B11R1.280 COc1cc(ccc1Cl)C#N 7a_100012186312_200000210301 [1,0,0,0,0,0|2,0,1]=4 910 B11R1.280 COc1cc(ccc1Cl)CN 34a_100020636435_200000210301 [1,0,0,0,0,0|2,0,1]=4 911 B11R1.280 COc1cc(ccc1Cl)CO 34a_100009876509_200000210301 [1,0,0,0,0,0|1,0,2]=4 912 B11R1.280 COc1cc(ccc1Cl)CO 7a_100009876509_200000210301 [1,0,0,0,0,0|1,0,2]=4 913 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 2230a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 914 B11R1.280 COc1cc(ccc1Cl)N[13CH3] 34a_100000742311_200025704644 [1,0,0,0,0,0|3,0,0]=4 915 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 34a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 916 B11R1.280 COc1cc(ccc1Cl)O[13CH3] 7a_100012186310_200025704644 [1,0,0,0,0,0|3,0,0]=4 917 B11R1.280 COc1cc(ccc1Cl)SC 62a_100011356853_200000210301 [1,0,0,0,0,0|3,0,0]=4 918 B11R1.280 COc1cc(ccc1Cl)SC 62a_200000210301_100011356853 [1,0,0,0,0,0|3,0,0]=4 919 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_100011356853_200025704644 [1,0,0,0,0,0|3,0,0]=4 920 B11R1.280 COc1cc(ccc1Cl)S[13CH3] 62a_200025704644_100011356853 [1,0,0,0,0,0|3,0,0]=4 921 B11R1.280 COc1cc(ccc1F)C#N 34a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 922 B11R1.280 COc1cc(ccc1F)C#N 7a_100000069402_200000210301 [1,0,0,0,0,0|2,0,1]=4 923 B11R1.280 COc1cc(ccc1F)CN 34a_100160469508_200000210301 [1,0,0,0,0,0|2,0,1]=4 924 B11R1.280 COc1cc(ccc1F)CO 34a_100009842347_200000210301 [1,0,0,0,0,0|1,0,2]=4 925 B11R1.280 COc1cc(ccc1F)CO 7a_100009842347_200000210301 [1,0,0,0,0,0|1,0,2]=4 926 B11R1.280 COc1cc(ccc1F)N[13CH3] 2230a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 927 B11R1.280 COc1cc(ccc1F)N[13CH3] 34a_100000701188_200025704644 [1,0,0,0,0,0|3,0,0]=4 928 B11R1.280 COc1cc(ccc1F)O[13CH3] 34a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 929 B11R1.280 COc1cc(ccc1F)O[13CH3] 7a_100012001760_200025704644 [1,0,0,0,0,0|3,0,0]=4 930 B11R1.280 COc1cc(ccc1F)SC 62a_100011934186_200000210301 [1,0,0,0,0,0|3,0,0]=4 931 B11R1.280 COc1cc(ccc1F)SC 62a_200000210301_100011934186 [1,0,0,0,0,0|3,0,0]=4 932 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_100011934186_200025704644 [1,0,0,0,0,0|3,0,0]=4 933 B11R1.280 COc1cc(ccc1F)S[13CH3] 62a_200025704644_100011934186 [1,0,0,0,0,0|3,0,0]=4 934 B11R1.280 COc1cc(ccc1I)C#N 34a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 935 B11R1.280 COc1cc(ccc1I)C#N 7a_100000724445_200000210301 [1,0,0,0,0,0|2,0,1]=4 936 B11R1.280 COc1cc(ccc1I)CO 34a_100000049605_200000210301 [1,0,0,0,0,0|1,0,2]=4 937 B11R1.280 COc1cc(ccc1I)CO 7a_100000049605_200000210301 [1,0,0,0,0,0|1,0,2]=4 938 B11R1.280 COc1cc(ccc1I)N[13CH3] 34a_100000746945_200025704644 [1,0,0,0,0,0|3,0,0]=4 939 B11R1.280 COc1cc(ccc1N)C#N 34a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 940 B11R1.280 COc1cc(ccc1N)C#N 7a_100011997735_200000210301 [1,0,0,0,0,0|2,0,1]=4 941 B11R1.280 COc1cc(ccc1N)O[13CH3] 34a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 942 B11R1.280 COc1cc(ccc1N)O[13CH3] 7a_100015326901_200025704644 [1,0,0,0,0,0|3,0,0]=4 943 B11R1.280 COc1cc(ccc1N)SC 62a_100011279103_200000210301 [1,0,0,0,0,0|3,0,0]=4 944 B11R1.280 COc1cc(ccc1N)SC 62a_200000210301_100015196925 [1,0,0,0,0,0|3,0,0]=4 945 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_100011279103_200025704644 [1,0,0,0,0,0|3,0,0]=4 946 B11R1.280 COc1cc(ccc1N)S[13CH3] 62a_200025704644_100015196925 [1,0,0,0,0,0|3,0,0]=4 947 B11R1.280 COc1cc(ccc1O)C#N 271570a_203496583355_100012356288 [1,0,0,0,0,0|1,0,1]=3 948 B11R1.280 COc1cc(ccc1O)C=O 271570a_203496583355_100010244714 [1,0,0,0,0,0|0,0,0]=1 949 B11R1.280 COc1cc(ccc1O)CO 271570a_203496583355_100010234685 [1,0,0,0,0,0|0,0,2]=3 950 B11R1.280 COc1cc(ccc1O)N[13CH3] 34a_100000726020_200025704644 [1,0,0,0,0,0|2,0,0]=3 951 B11R1.280 COc1cc(ccc1O)SC 62a_200000210301_100000694246 [1,0,0,0,0,0|2,0,0]=3 952 B11R1.280 COc1cc(ccc1O)S[13CH3] 62a_200025704644_100000694246 [1,0,0,0,0,0|2,0,0]=3 953 B11R1.280 COc1cc(cnc1O)C#N 271570a_203496583355_200009864118 [1,0,0,0,0,0|2,0,1]=4 954 B11R1.280 COc1cc(ncc1O)C#N 271570a_203496583355_100010136804 [1,0,0,0,0,0|2,0,1]=4 955 B11R1.280 COc1cc(ncc1O)CO 271570a_203496583355_100010999569 [1,0,0,0,0,0|1,0,2]=4 956 B11R1.280 COc1ccc(c(c1)CN)O 271570a_203496583355_100000741592 [1,0,0,0,0,0|3,0,0]=4 957 B11R1.280 COc1ccc(c(c1)CO)O 271570a_203496583355_200011273942 [1,0,0,0,0,0|3,0,0]=4 958 B11R1.280 COc1ccc(c(c1)N[13CH3])O 34a_100000188146_200025704644 [1,0,0,0,0,0|3,0,0]=4 959 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 960 B11R1.280 COc1ccc(c(c1)OC)Br 34a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 961 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100000719091_200000210301 [1,0,0,0,0,0|3,0,0]=4 962 B11R1.280 COc1ccc(c(c1)OC)Br 7a_100011827694_200000210301 [1,0,0,0,0,0|3,0,0]=4 963 B11R1.280 COc1ccc(c(c1)OC)C 34a_100009865632_200000210301 [1,0,0,0,0,0|3,0,0]=4 964 B11R1.280 COc1ccc(c(c1)OC)C 34a_100012179981_200000210301 [1,0,0,0,0,0|3,0,0]=4 965 B11R1.280 COc1ccc(c(c1)OC)C 7a_100009865632_200000210301 [1,0,0,0,0,0|3,0,0]=4 966 B11R1.280 COc1ccc(c(c1)OC)C 7a_100012179981_200000210301 [1,0,0,0,0,0|3,0,0]=4 967 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 968 B11R1.280 COc1ccc(c(c1)OC)Cl 34a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 969 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100011516019_200000210301 [1,0,0,0,0,0|3,0,0]=4 970 B11R1.280 COc1ccc(c(c1)OC)Cl 7a_100012186310_200000210301 [1,0,0,0,0,0|3,0,0]=4 971 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 972 B11R1.280 COc1ccc(c(c1)OC)F 34a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 973 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012001760_200000210301 [1,0,0,0,0,0|3,0,0]=4 974 B11R1.280 COc1ccc(c(c1)OC)F 7a_100012178750_200000210301 [1,0,0,0,0,0|3,0,0]=4 975 B11R1.280 COc1ccc(c(c1)OC)I 34a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 976 B11R1.280 COc1ccc(c(c1)OC)I 7a_100010168831_200000210301 [1,0,0,0,0,0|3,0,0]=4 977 B11R1.280 COc1ccc(c(c1)OC)N 34a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 978 B11R1.280 COc1ccc(c(c1)OC)N 34a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 979 B11R1.280 COc1ccc(c(c1)OC)N 7a_100015326901_200000210301 [1,0,0,0,0,0|3,0,0]=4 980 B11R1.280 COc1ccc(c(c1)OC)N 7a_100016989039_200000210301 [1,0,0,0,0,0|3,0,0]=4 981 B11R1.280 COc1ccc(c(c1)OC)O 271570a_203496583355_100000750026 [1,0,0,0,0,0|2,0,0]=3 982 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 34a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 983 B11R1.280 COc1ccc(c(c1)O[13CH3])Br 7a_100000719091_200025704644 [1,0,0,0,0,0|3,0,0]=4 984 B11R1.280 COc1ccc(c(c1)O[13CH3])C 34a_100012179981_200025704644 [1,0,0,0,0,0|3,0,0]=4 985 B11R1.280 COc1ccc(c(c1)O[13CH3])C 7a_100012179981_200025704644 [1,0,0,0,0,0|3,0,0]=4 986 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 34a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 987 B11R1.280 COc1ccc(c(c1)O[13CH3])Cl 7a_100011516019_200025704644 [1,0,0,0,0,0|3,0,0]=4 988 B11R1.280 COc1ccc(c(c1)O[13CH3])F 34a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 989 B11R1.280 COc1ccc(c(c1)O[13CH3])F 7a_100012178750_200025704644 [1,0,0,0,0,0|3,0,0]=4 990 B11R1.280 COc1ccc(c(c1)O[13CH3])I 34a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 991 B11R1.280 COc1ccc(c(c1)O[13CH3])I 7a_100010168831_200025704644 [1,0,0,0,0,0|3,0,0]=4 992 B11R1.280 COc1ccc(c(c1)O[13CH3])N 34a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 993 B11R1.280 COc1ccc(c(c1)O[13CH3])N 7a_100016989039_200025704644 [1,0,0,0,0,0|3,0,0]=4 994 B11R1.280 COc1ccc(c(c1)SC)O 62a_200000210301_100000685887 [1,0,0,0,0,0|2,1,0]=4 995 B11R1.280 COc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000685887 [1,0,0,0,0,0|2,1,0]=4 996 B11R1.280 COc1ccc(c(n1)OC)O 271570a_203496583355_100009816055 [1,0,0,0,0,0|3,0,0]=4 997 B11R1.280 COc1nc(ccc1O)SC 62a_200000210301_100010893133 [1,0,0,0,0,0|3,0,0]=4 998 B11R1.280 COc1nc(ccc1O)S[13CH3] 62a_200025704644_100010893133 [1,0,0,0,0,0|3,0,0]=4 999 B11R1.280 CSc1cc(ccc1Br)C=O 62a_100010146563_200000210301 [1,0,0,0,0,0|1,1,0]=3 1000 B11R1.280 CSc1cc(ccc1Br)C=O 62a_200000210301_100010146563 [1,0,0,0,0,0|1,1,0]=3 1001 B11R1.280 CSc1cc(ccc1C)C=O 62a_100000695567_200000210301 [1,0,0,0,0,0|1,1,0]=3 1002 B11R1.280 CSc1cc(ccc1C)C=O 62a_200000210301_100000695567 [1,0,0,0,0,0|1,1,0]=3 1003 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_100010209939_200000210301 [1,0,0,0,0,0|1,1,0]=3 1004 B11R1.280 CSc1cc(ccc1Cl)C=O 62a_200000210301_100010209939 [1,0,0,0,0,0|1,1,0]=3 1005 B11R1.280 CSc1cc(ccc1F)C=O 62a_100000211747_200000210301 [1,0,0,0,0,0|1,1,0]=3 1006 B11R1.280 CSc1cc(ccc1F)C=O 62a_200000210301_100000211747 [1,0,0,0,0,0|1,1,0]=3 1007 B11R1.280 CSc1cc(ccc1O)C#N 62a_200000210301_100000725478 [1,0,0,0,0,0|1,1,1]=4 1008 B11R1.280 CSc1cc(ccc1O)C=O 62a_100000184552_200000210301 [1,0,0,0,0,0|0,1,0]=2 1009 B11R1.280 CSc1cc(ccc1O)C=O 62a_200000210301_100000184552 [1,0,0,0,0,0|0,1,0]=2 1010 B11R1.280 CSc1cc(ccc1O)CO 62a_100011191544_200000210301 [1,0,0,0,0,0|0,1,2]=4 1011 B11R1.280 CSc1cc(ccc1O)CO 62a_200000210301_100011191544 [1,0,0,0,0,0|0,1,2]=4 1012 B11R1.280 CSc1cc(cnc1N)C=O 62a_100010064899_200000210301 [1,0,0,0,0,0|2,1,0]=4 1013 B11R1.280 CSc1cc(cnc1N)C=O 62a_200000210301_100010064899 [1,0,0,0,0,0|2,1,0]=4 1014 B11R1.280 CSc1cc(cnc1O)C=O 62a_100010064886_200000210301 [1,0,0,0,0,0|1,1,0]=3 1015 B11R1.280 CSc1cc(cnc1O)C=O 62a_200000210301_100010064886 [1,0,0,0,0,0|1,1,0]=3 1016 B11R1.280 CSc1cc(ncc1C)C=O 62a_100010174032_200000210301 [1,0,0,0,0,0|2,1,0]=4 1017 B11R1.280 CSc1cc(ncc1C)C=O 62a_200000210301_100010174032 [1,0,0,0,0,0|2,1,0]=4 1018 B11R1.280 CSc1ccc(c(c1)CN)O 62a_100000730032_200000210301 [1,0,0,0,0,0|3,0,0]=4 1019 B11R1.280 CSc1ccc(c(c1)CN)O 62a_200000210301_100000730032 [1,0,0,0,0,0|3,0,0]=4 1020 B11R1.280 CSc1ccc(c(c1)CO)O 62a_100000184703_200000210301 [1,0,0,0,0,0|3,0,0]=4 1021 B11R1.280 CSc1ccc(c(c1)CO)O 62a_200000210301_100000184703 [1,0,0,0,0,0|3,0,0]=4 1022 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 34a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 1023 B11R1.280 Cc1ccc(cc1O[13CH3])C#N 7a_100000765541_200025704644 [1,0,0,0,0,0|2,0,1]=4 1024 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_100000695567_200025704644 [1,0,0,0,0,0|1,1,0]=3 1025 B11R1.280 Cc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000695567 [1,0,0,0,0,0|1,1,0]=3 1026 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_100010174032_200025704644 [1,0,0,0,0,0|2,1,0]=4 1027 B11R1.280 Cc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010174032 [1,0,0,0,0,0|2,1,0]=4 1028 B11R1.280 N#Cc1cc(ccc1O)C=O 271570a_203496583355_100010128726 [1,0,0,0,0,0|1,0,1]=3 1029 B11R1.280 N#Cc1ccc(c(c1)CO)O 271570a_203496583355_100010246249 [1,0,0,0,0,0|2,0,1]=4 1030 B11R1.280 O=Cc1ccc(c(c1)CO)O 271570a_203496583355_100015639582 [1,0,0,0,0,0|1,0,0]=2 1031 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 34a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1032 B11R1.280 [13CH3]Nc1cc(ccc1O)C#N 7a_100000766272_200025704644 [1,0,0,0,0,0|2,0,1]=4 1033 B11R1.280 [13CH3]Nc1cc(ccc1O)CO 34a_100000123545_200025704644 [1,0,0,0,0,0|1,0,2]=4 1034 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 34a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1035 B11R1.280 [13CH3]Oc1cc(ccc1Br)C#N 7a_100009877741_200025704644 [1,0,0,0,0,0|2,0,1]=4 1036 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 34a_100010191536_200025704644 [1,0,0,0,0,0|1,0,2]=4 1037 B11R1.280 [13CH3]Oc1cc(ccc1Br)CO 7a_100010191536_200025704644 [1,0,0,0,0,0|1,0,2]=4 1038 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 34a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1039 B11R1.280 [13CH3]Oc1cc(ccc1Cl)C#N 7a_100012186312_200025704644 [1,0,0,0,0,0|2,0,1]=4 1040 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CN 34a_100020636435_200025704644 [1,0,0,0,0,0|2,0,1]=4 1041 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 34a_100009876509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1042 B11R1.280 [13CH3]Oc1cc(ccc1Cl)CO 7a_100009876509_200025704644 [1,0,0,0,0,0|1,0,2]=4 1043 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 34a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1044 B11R1.280 [13CH3]Oc1cc(ccc1F)C#N 7a_100000069402_200025704644 [1,0,0,0,0,0|2,0,1]=4 1045 B11R1.280 [13CH3]Oc1cc(ccc1F)CN 34a_100160469508_200025704644 [1,0,0,0,0,0|2,0,1]=4 1046 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 34a_100009842347_200025704644 [1,0,0,0,0,0|1,0,2]=4 1047 B11R1.280 [13CH3]Oc1cc(ccc1F)CO 7a_100009842347_200025704644 [1,0,0,0,0,0|1,0,2]=4 1048 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 34a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1049 B11R1.280 [13CH3]Oc1cc(ccc1I)C#N 7a_100000724445_200025704644 [1,0,0,0,0,0|2,0,1]=4 1050 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 34a_100000049605_200025704644 [1,0,0,0,0,0|1,0,2]=4 1051 B11R1.280 [13CH3]Oc1cc(ccc1I)CO 7a_100000049605_200025704644 [1,0,0,0,0,0|1,0,2]=4 1052 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 34a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1053 B11R1.280 [13CH3]Oc1cc(ccc1N)C#N 7a_100011997735_200025704644 [1,0,0,0,0,0|2,0,1]=4 1054 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_100010146563_200025704644 [1,0,0,0,0,0|1,1,0]=3 1055 B11R1.280 [13CH3]Sc1cc(ccc1Br)C=O 62a_200025704644_100010146563 [1,0,0,0,0,0|1,1,0]=3 1056 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_100010209939_200025704644 [1,0,0,0,0,0|1,1,0]=3 1057 B11R1.280 [13CH3]Sc1cc(ccc1Cl)C=O 62a_200025704644_100010209939 [1,0,0,0,0,0|1,1,0]=3 1058 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_100000211747_200025704644 [1,0,0,0,0,0|1,1,0]=3 1059 B11R1.280 [13CH3]Sc1cc(ccc1F)C=O 62a_200025704644_100000211747 [1,0,0,0,0,0|1,1,0]=3 1060 B11R1.280 [13CH3]Sc1cc(ccc1O)C#N 62a_200025704644_100000725478 [1,0,0,0,0,0|1,1,1]=4 1061 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_100000184552_200025704644 [1,0,0,0,0,0|0,1,0]=2 1062 B11R1.280 [13CH3]Sc1cc(ccc1O)C=O 62a_200025704644_100000184552 [1,0,0,0,0,0|0,1,0]=2 1063 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_100011191544_200025704644 [1,0,0,0,0,0|0,1,2]=4 1064 B11R1.280 [13CH3]Sc1cc(ccc1O)CO 62a_200025704644_100011191544 [1,0,0,0,0,0|0,1,2]=4 1065 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_100010064899_200025704644 [1,0,0,0,0,0|2,1,0]=4 1066 B11R1.280 [13CH3]Sc1cc(cnc1N)C=O 62a_200025704644_100010064899 [1,0,0,0,0,0|2,1,0]=4 1067 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_100010064886_200025704644 [1,0,0,0,0,0|1,1,0]=3 1068 B11R1.280 [13CH3]Sc1cc(cnc1O)C=O 62a_200025704644_100010064886 [1,0,0,0,0,0|1,1,0]=3 1069 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_100000730032_200025704644 [1,0,0,0,0,0|3,0,0]=4 1070 B11R1.280 [13CH3]Sc1ccc(c(c1)CN)O 62a_200025704644_100000730032 [1,0,0,0,0,0|3,0,0]=4 1071 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_100000184703_200025704644 [1,0,0,0,0,0|3,0,0]=4 1072 B11R1.280 [13CH3]Sc1ccc(c(c1)CO)O 62a_200025704644_100000184703 [1,0,0,0,0,0|3,0,0]=4 1073 B13R1.97 C=Cc1ccc(c(c1)CC(=O)C)O 271570a_100011290941_200010006938 [0,1,0,0,0,0|2,0,1]=4 1074 B13R1.97 C=Cc1ccc(c(c1)NC(C)C)C 271570a_100011290941_200000714908 [0,1,0,0,0,0|3,0,0]=4 1075 B13R1.97 C=Cc1ccc(c(c1)OC(=O)C)C 271570a_100011290941_100103282185 [0,1,0,0,0,0|2,0,1]=4 1076 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)C 271570a_100011290941_200012359587 [0,1,0,0,0,0|2,0,0]=3 1077 B13R1.97 C=Cc1ccc(c(c1)OC(C)C)F 271570a_100011290941_200012350295 [0,1,0,0,0,0|2,0,0]=3 1078 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)F 271570a_100011290941_100012359426 [0,1,0,0,0,0|3,0,0]=4 1079 B13R1.97 C=Cc1ccc(c(c1)OC(F)F)N 271570a_100011290941_100010212277 [0,1,0,0,0,0|3,0,0]=4 1080 B13R1.97 C=Cc1cnc(c(c1)OC(C)C)F 271570a_100011290941_200010713186 [0,1,0,0,0,0|3,0,0]=4 1081 B13R1.97 CC(=Cc1cc(ccc1Br)C=O)C 271570a_100102525489_100010146563 [0,1,0,0,0,0|2,0,1]=4 1082 B13R1.97 CC(=Cc1cc(ccc1C)C=O)C 271570a_100102525489_100000695567 [0,1,0,0,0,0|2,0,1]=4 1083 B13R1.97 CC(=Cc1cc(ccc1Cl)C=O)C 271570a_100102525489_100010209939 [0,1,0,0,0,0|2,0,1]=4 1084 B13R1.97 CC(=Cc1cc(ccc1F)C=O)C 271570a_100102525489_100000211747 [0,1,0,0,0,0|2,0,1]=4 1085 B13R1.97 CC(=Cc1cc(ccc1O)C=O)C 271570a_100102525489_100000184552 [0,1,0,0,0,0|1,0,1]=3 1086 B13R1.97 CC(=Cc1cc(cnc1O)C=O)C 271570a_100102525489_100010064886 [0,1,0,0,0,0|2,0,1]=4 1087 B13R1.97 CC(C)Nc1cc(ccc1O)C#N 34a_100000766272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1088 B13R1.97 CC(C)Nc1cc(ccc1O)C#N 7a_100000766272_100000210206 [0,1,0,0,0,0|2,0,1]=4 1089 B13R1.97 CC(C)Nc1cc(ccc1O)CO 34a_100000123545_100000210206 [0,1,0,0,0,0|1,0,2]=4 1090 B13R1.97 CC(C)Oc1cc(ccc1Br)C#N 34a_100009877741_100000210206 [0,1,0,0,0,0|2,0,1]=4 1091 B13R1.97 CC(C)Oc1cc(ccc1Br)C#N 7a_100009877741_100000210206 [0,1,0,0,0,0|2,0,1]=4 1092 B13R1.97 CC(C)Oc1cc(ccc1Br)CO 34a_100010191536_100000210206 [0,1,0,0,0,0|1,0,2]=4 1093 B13R1.97 CC(C)Oc1cc(ccc1Br)CO 7a_100010191536_100000210206 [0,1,0,0,0,0|1,0,2]=4 1094 B13R1.97 CC(C)Oc1cc(ccc1Cl)C#N 34a_100012186312_100000210206 [0,1,0,0,0,0|2,0,1]=4 1095 B13R1.97 CC(C)Oc1cc(ccc1Cl)C#N 7a_100012186312_100000210206 [0,1,0,0,0,0|2,0,1]=4 1096 B13R1.97 CC(C)Oc1cc(ccc1Cl)CN 34a_100020636435_100000210206 [0,1,0,0,0,0|2,0,1]=4 1097 B13R1.97 CC(C)Oc1cc(ccc1Cl)CO 34a_100009876509_100000210206 [0,1,0,0,0,0|1,0,2]=4 1098 B13R1.97 CC(C)Oc1cc(ccc1Cl)CO 7a_100009876509_100000210206 [0,1,0,0,0,0|1,0,2]=4 1099 B13R1.97 CC(C)Oc1cc(ccc1F)C#N 34a_100000069402_100000210206 [0,1,0,0,0,0|2,0,1]=4 1100 B13R1.97 CC(C)Oc1cc(ccc1F)C#N 7a_100000069402_100000210206 [0,1,0,0,0,0|2,0,1]=4 1101 B13R1.97 CC(C)Oc1cc(ccc1F)CN 34a_100160469508_100000210206 [0,1,0,0,0,0|2,0,1]=4 1102 B13R1.97 CC(C)Oc1cc(ccc1F)CO 34a_100009842347_100000210206 [0,1,0,0,0,0|1,0,2]=4 1103 B13R1.97 CC(C)Oc1cc(ccc1F)CO 7a_100009842347_100000210206 [0,1,0,0,0,0|1,0,2]=4 1104 B13R1.97 CC(C)Oc1cc(ccc1F)S[13CH3] 62a_200012350295_200025704644 [0,1,0,0,0,0|3,0,0]=4 1105 B13R1.97 CC(C)Oc1cc(ccc1F)S[13CH3] 62a_200025704644_200012350295 [0,1,0,0,0,0|3,0,0]=4 1106 B13R1.97 CC(C)Oc1cc(ccc1I)C#N 34a_100000724445_100000210206 [0,1,0,0,0,0|2,0,1]=4 1107 B13R1.97 CC(C)Oc1cc(ccc1I)C#N 7a_100000724445_100000210206 [0,1,0,0,0,0|2,0,1]=4 1108 B13R1.97 CC(C)Oc1cc(ccc1I)CO 34a_100000049605_100000210206 [0,1,0,0,0,0|1,0,2]=4 1109 B13R1.97 CC(C)Oc1cc(ccc1I)CO 7a_100000049605_100000210206 [0,1,0,0,0,0|1,0,2]=4 1110 B13R1.97 CC(C)Oc1cc(ccc1N)C#N 34a_100011997735_100000210206 [0,1,0,0,0,0|2,0,1]=4 1111 B13R1.97 CC(C)Oc1cc(ccc1N)C#N 7a_100011997735_100000210206 [0,1,0,0,0,0|2,0,1]=4 1112 B13R1.97 CC(C)Sc1cc(ccc1Br)C=O 62a_100000210206_100010146563 [0,1,0,0,0,0|1,1,0]=3 1113 B13R1.97 CC(C)Sc1cc(ccc1Br)C=O 62a_100010146563_100000210206 [0,1,0,0,0,0|1,1,0]=3 1114 B13R1.97 CC(C)Sc1cc(ccc1Cl)C=O 62a_100000210206_100010209939 [0,1,0,0,0,0|1,1,0]=3 1115 B13R1.97 CC(C)Sc1cc(ccc1Cl)C=O 62a_100010209939_100000210206 [0,1,0,0,0,0|1,1,0]=3 1116 B13R1.97 CC(C)Sc1cc(ccc1F)C=O 62a_100000210206_100000211747 [0,1,0,0,0,0|1,1,0]=3 1117 B13R1.97 CC(C)Sc1cc(ccc1F)C=O 62a_100000211747_100000210206 [0,1,0,0,0,0|1,1,0]=3 1118 B13R1.97 CC(C)Sc1cc(ccc1O)C#N 62a_100000210206_100000725478 [0,1,0,0,0,0|1,1,1]=4 1119 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000184552_100000210206 [0,1,0,0,0,0|0,1,0]=2 1120 B13R1.97 CC(C)Sc1cc(ccc1O)C=O 62a_100000210206_100000184552 [0,1,0,0,0,0|0,1,0]=2 1121 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100000210206_100011191544 [0,1,0,0,0,0|0,1,2]=4 1122 B13R1.97 CC(C)Sc1cc(ccc1O)CO 62a_100011191544_100000210206 [0,1,0,0,0,0|0,1,2]=4 1123 B13R1.97 CC(C)Sc1cc(cnc1N)C=O 62a_100000210206_100010064899 [0,1,0,0,0,0|2,1,0]=4 1124 B13R1.97 CC(C)Sc1cc(cnc1N)C=O 62a_100010064899_100000210206 [0,1,0,0,0,0|2,1,0]=4 1125 B13R1.97 CC(C)Sc1cc(cnc1O)C=O 62a_100000210206_100010064886 [0,1,0,0,0,0|1,1,0]=3 1126 B13R1.97 CC(C)Sc1cc(cnc1O)C=O 62a_100010064886_100000210206 [0,1,0,0,0,0|1,1,0]=3 1127 B13R1.97 CCc1ccc(c(c1)NC(C)C)O 34a_100000765835_100000210206 [0,1,0,0,0,0|2,0,1]=4 1128 B13R1.97 CCc1ccc(c(c1)OC(C)C)N 34a_100000124328_100000210206 [0,1,0,0,0,0|2,0,1]=4 1129 B13R1.97 CCc1ccc(c(c1)OC(C)C)N 7a_100000124328_100000210206 [0,1,0,0,0,0|2,0,1]=4 1130 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100000210206_100012339963 [0,1,0,0,0,0|1,1,1]=4 1131 B13R1.97 CCc1ccc(c(c1)SC(C)C)O 62a_100012339963_100000210206 [0,1,0,0,0,0|1,1,1]=4 1132 B13R1.97 COc1ccc(c(c1)NC(C)C)O 34a_100000188146_100000210206 [0,1,0,0,0,0|3,0,0]=4 1133 B13R1.97 COc1ccc(c(c1)OC(C)C)Br 34a_100000719091_100000210206 [0,1,0,0,0,0|3,0,0]=4 1134 B13R1.97 COc1ccc(c(c1)OC(C)C)Br 7a_100000719091_100000210206 [0,1,0,0,0,0|3,0,0]=4 1135 B13R1.97 COc1ccc(c(c1)OC(C)C)C 34a_100012179981_100000210206 [0,1,0,0,0,0|3,0,0]=4 1136 B13R1.97 COc1ccc(c(c1)OC(C)C)C 7a_100012179981_100000210206 [0,1,0,0,0,0|3,0,0]=4 1137 B13R1.97 COc1ccc(c(c1)OC(C)C)Cl 34a_100011516019_100000210206 [0,1,0,0,0,0|3,0,0]=4 1138 B13R1.97 COc1ccc(c(c1)OC(C)C)Cl 7a_100011516019_100000210206 [0,1,0,0,0,0|3,0,0]=4 1139 B13R1.97 COc1ccc(c(c1)OC(C)C)F 34a_100012178750_100000210206 [0,1,0,0,0,0|3,0,0]=4 1140 B13R1.97 COc1ccc(c(c1)OC(C)C)F 7a_100012178750_100000210206 [0,1,0,0,0,0|3,0,0]=4 1141 B13R1.97 COc1ccc(c(c1)OC(C)C)I 34a_100010168831_100000210206 [0,1,0,0,0,0|3,0,0]=4 1142 B13R1.97 COc1ccc(c(c1)OC(C)C)I 7a_100010168831_100000210206 [0,1,0,0,0,0|3,0,0]=4 1143 B13R1.97 COc1ccc(c(c1)OC(C)C)N 34a_100016989039_100000210206 [0,1,0,0,0,0|3,0,0]=4 1144 B13R1.97 COc1ccc(c(c1)OC(C)C)N 7a_100016989039_100000210206 [0,1,0,0,0,0|3,0,0]=4 1145 B13R1.97 COc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000685887 [0,1,0,0,0,0|2,1,0]=4 1146 B13R1.97 CSc1ccc(c(c1)OC(C)C)C 62a_200000210301_200012359587 [0,1,0,0,0,0|3,0,0]=4 1147 B13R1.97 CSc1ccc(c(c1)OC(C)C)C 62a_200012359587_200000210301 [0,1,0,0,0,0|3,0,0]=4 1148 B13R1.97 CSc1ccc(c(c1)OC(C)C)F 62a_200000210301_200012350295 [0,1,0,0,0,0|3,0,0]=4 1149 B13R1.97 CSc1ccc(c(c1)OC(C)C)F 62a_200012350295_200000210301 [0,1,0,0,0,0|3,0,0]=4 1150 B13R1.97 Cc1ccc(cc1OC(C)C)C#N 34a_100000765541_100000210206 [0,1,0,0,0,0|2,0,1]=4 1151 B13R1.97 Cc1ccc(cc1OC(C)C)C#N 7a_100000765541_100000210206 [0,1,0,0,0,0|2,0,1]=4 1152 B13R1.97 Cc1ccc(cc1OC(C)C)S[13CH3] 62a_200012359587_200025704644 [0,1,0,0,0,0|3,0,0]=4 1153 B13R1.97 Cc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200012359587 [0,1,0,0,0,0|3,0,0]=4 1154 B13R1.97 Cc1ccc(cc1SC(C)C)C=O 62a_100000210206_100000695567 [0,1,0,0,0,0|1,1,0]=3 1155 B13R1.97 Cc1ccc(cc1SC(C)C)C=O 62a_100000695567_100000210206 [0,1,0,0,0,0|1,1,0]=3 1156 B13R1.97 Cc1cnc(cc1SC(C)C)C=O 62a_100000210206_100010174032 [0,1,0,0,0,0|2,1,0]=4 1157 B13R1.97 Cc1cnc(cc1SC(C)C)C=O 62a_100010174032_100000210206 [0,1,0,0,0,0|2,1,0]=4 1158 B13R1.354 C=C(C)c1cc(c(cn1)N)OCC 271570a_100000694244_100015764953 [0,1,0,0,0,0|3,0,0]=4 1159 B13R1.354 C=C(C)c1ccc(c(c1)CNC)O 271570a_100000694244_100011602694 [0,1,0,0,0,0|3,0,0]=4 1160 B13R1.354 C=C(C)c1ccc(c(c1)NCC)N 271570a_100000694244_100000696630 [0,1,0,0,0,0|3,0,0]=4 1161 B13R1.354 C=C(C)c1ccc(c(c1)OCC)C 271570a_100000694244_100012361169 [0,1,0,0,0,0|2,0,0]=3 1162 B13R1.354 C=C(C)c1ccc(c(c1)OCC)F 271570a_100000694244_200012344967 [0,1,0,0,0,0|2,0,0]=3 1163 B13R1.354 C=C(C)c1ccc(c(c1)OCC)N 271570a_100000694244_100000688918 [0,1,0,0,0,0|2,0,0]=3 1164 B13R1.354 C=C(C)c1cnc(c(c1)OCC)F 271570a_100000694244_100010732568 [0,1,0,0,0,0|3,0,0]=4 1165 B13R1.354 C=C=Cc1cc(ccc1O)C(=O)C 271570a_100015277604_100011772453 [0,1,0,0,0,0|1,0,2]=4 1166 B13R1.354 CC(=O)c1ccc(c(c1)CS[13CH3])O 62a_100000010293_200025704644 [0,1,0,0,0,0|2,0,0]=3 1167 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 34a_100000084092_100015361967 [0,1,0,0,0,0|2,0,0]=3 1168 B13R1.354 CC(=O)c1ccc(c(c1)OCF)C 7a_100000084092_100015361967 [0,1,0,0,0,0|2,0,0]=3 1169 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 34a_100000117923_100015361967 [0,1,0,0,0,0|2,0,0]=3 1170 B13R1.354 CC(=O)c1ccc(c(c1)OCF)F 7a_100000117923_100015361967 [0,1,0,0,0,0|2,0,0]=3 1171 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100010146556_100015361967 [0,1,0,0,0,0|2,1,0]=4 1172 B13R1.354 CC(=O)c1ccc(c(c1)SCF)Br 62a_100015361967_100010146556 [0,1,0,0,0,0|2,1,0]=4 1173 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100011934287_100015361967 [0,1,0,0,0,0|2,1,0]=4 1174 B13R1.354 CC(=O)c1ccc(c(c1)SCF)C 62a_100015361967_100011934287 [0,1,0,0,0,0|2,1,0]=4 1175 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100000239719_100015361967 [0,1,0,0,0,0|2,1,0]=4 1176 B13R1.354 CC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100000239719 [0,1,0,0,0,0|2,1,0]=4 1177 B13R1.354 CC(=O)c1ccc(c(c1)SCF)N 62a_100012029215_100015361967 [0,1,0,0,0,0|2,1,0]=4 1178 B13R1.354 CC(=O)c1ccc(c(c1)SCF)O 62a_100011772453_100015361967 [0,1,0,0,0,0|1,1,0]=3 1179 B13R1.354 CC=Cc1cc(ccc1Br)C(=O)C 271570a_100016259895_100010146556 [0,1,0,0,0,0|2,0,1]=4 1180 B13R1.354 CC=Cc1cc(ccc1C)C(=O)C 271570a_100016259895_100011934287 [0,1,0,0,0,0|2,0,1]=4 1181 B13R1.354 CC=Cc1cc(ccc1C)C(=O)N 271570a_100016259895_100000186401 [0,1,0,0,0,0|2,0,1]=4 1182 B13R1.354 CC=Cc1cc(ccc1F)C(=O)C 271570a_100016259895_100000239719 [0,1,0,0,0,0|2,0,1]=4 1183 B13R1.354 CC=Cc1cc(ccc1F)C(=O)N 271570a_100016259895_100011202321 [0,1,0,0,0,0|2,0,1]=4 1184 B13R1.354 CC=Cc1cc(ccc1N)C(=O)C 271570a_100016259895_100012029215 [0,1,0,0,0,0|2,0,1]=4 1185 B13R1.354 CC=Cc1cc(ccc1O)C(=O)C 271570a_100016259895_100011772453 [0,1,0,0,0,0|1,0,1]=3 1186 B13R1.354 CCCc1cc(ccc1F)C(=O)C 1458a_100009923992_200000210301 [0,1,0,0,0,0|2,0,0]=3 1187 B13R1.354 CCCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009923992_200025704644 [0,1,0,0,0,0|2,0,0]=3 1188 B13R1.354 CCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210202 [0,1,0,0,0,0|2,0,0]=3 1189 B13R1.354 CCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210202 [0,1,0,0,0,0|2,0,0]=3 1190 B13R1.354 CCNc1cc(ccc1C)[N+](=O)[O-] 34a_100000184112_100000210202 [0,1,0,0,0,0|3,0,0]=4 1191 B13R1.354 CCNc1cc(ccc1C)[N+](=O)[O-] 7a_100000184112_100000210202 [0,1,0,0,0,0|3,0,0]=4 1192 B13R1.354 CCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210202 [0,1,0,0,0,0|2,0,0]=3 1193 B13R1.354 CCNc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000186089_100000210202 [0,1,0,0,0,0|3,0,0]=4 1194 B13R1.354 CCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210202 [0,1,0,0,0,0|2,0,0]=3 1195 B13R1.354 CCNc1cc(ccc1F)[N+](=O)[O-] 34a_100000185768_100000210202 [0,1,0,0,0,0|3,0,0]=4 1196 B13R1.354 CCNc1cc(ccc1O)C(C)C 34a_200000187366_100000210202 [0,1,0,0,0,0|2,0,1]=4 1197 B13R1.354 CCNc1cc(ccc1O)C(C)C 7a_200000187366_100000210202 [0,1,0,0,0,0|2,0,1]=4 1198 B13R1.354 CCNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210202 [0,1,0,0,0,0|2,0,0]=3 1199 B13R1.354 CCNc1cc(cnc1F)C(=O)C 27a_100015525214_200010135287 [0,1,0,0,0,0|3,0,0]=4 1200 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210202 [0,1,0,0,0,0|1,0,0]=2 1201 B13R1.354 CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210202 [0,1,0,0,0,0|1,0,0]=2 1202 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210202 [0,1,0,0,0,0|2,0,0]=3 1203 B13R1.354 CCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210202 [0,1,0,0,0,0|2,0,0]=3 1204 B13R1.354 CCOc1cc(ccc1C)C(=O)C 1458a_100000238212_200000210301 [0,1,0,0,0,0|1,0,0]=2 1205 B13R1.354 CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210202 [0,1,0,0,0,0|1,0,0]=2 1206 B13R1.354 CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210202 [0,1,0,0,0,0|1,0,0]=2 1207 B13R1.354 CCOc1cc(ccc1C)C(=O)[13CH3] 1458a_100000238212_200025704644 [0,1,0,0,0,0|1,0,0]=2 1208 B13R1.354 CCOc1cc(ccc1C)C(C)C 34a_100000212073_100000210202 [0,1,0,0,0,0|2,0,1]=4 1209 B13R1.354 CCOc1cc(ccc1C)C(C)C 7a_100000212073_100000210202 [0,1,0,0,0,0|2,0,1]=4 1210 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210202 [0,1,0,0,0,0|2,0,0]=3 1211 B13R1.354 CCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210202 [0,1,0,0,0,0|2,0,0]=3 1212 B13R1.354 CCOc1cc(ccc1Cl)C(=O)C 1458a_200010207389_200000210301 [0,1,0,0,0,0|1,0,0]=2 1213 B13R1.354 CCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010207389_200025704644 [0,1,0,0,0,0|1,0,0]=2 1214 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210202 [0,1,0,0,0,0|2,0,0]=3 1215 B13R1.354 CCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210202 [0,1,0,0,0,0|2,0,0]=3 1216 B13R1.354 CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210202 [0,1,0,0,0,0|1,0,0]=2 1217 B13R1.354 CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210202 [0,1,0,0,0,0|1,0,0]=2 1218 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210202 [0,1,0,0,0,0|2,0,0]=3 1219 B13R1.354 CCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210202 [0,1,0,0,0,0|2,0,0]=3 1220 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210202 [0,1,0,0,0,0|2,0,0]=3 1221 B13R1.354 CCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210202 [0,1,0,0,0,0|2,0,0]=3 1222 B13R1.354 CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210202 [0,1,0,0,0,0|1,0,0]=2 1223 B13R1.354 CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210202 [0,1,0,0,0,0|1,0,0]=2 1224 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210202 [0,1,0,0,0,0|2,0,0]=3 1225 B13R1.354 CCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210202 [0,1,0,0,0,0|2,0,0]=3 1226 B13R1.354 CCOc1cc(ccc1O)C(=O)C 1458a_100011260950_200000210301 [0,1,0,0,0,0|0,0,0]=1 1227 B13R1.354 CCOc1cc(ccc1O)C(=O)[13CH3] 1458a_100011260950_200025704644 [0,1,0,0,0,0|0,0,0]=1 1228 B13R1.354 CCOc1cc(cnc1Cl)[N+](=O)[O-] 34a_200010746660_100000210202 [0,1,0,0,0,0|3,0,0]=4 1229 B13R1.354 CCOc1cc(cnc1Cl)[N+](=O)[O-] 7a_200010746660_100000210202 [0,1,0,0,0,0|3,0,0]=4 1230 B13R1.354 CCOc1cc(cnc1N)[N+](=O)[O-] 34a_100009863383_100000210202 [0,1,0,0,0,0|3,0,0]=4 1231 B13R1.354 CCOc1cc(cnc1N)[N+](=O)[O-] 7a_100009863383_100000210202 [0,1,0,0,0,0|3,0,0]=4 1232 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100000210202_100010146556 [0,1,0,0,0,0|1,1,0]=3 1233 B13R1.354 CCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210202 [0,1,0,0,0,0|1,1,0]=3 1234 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100000210202_100011934287 [0,1,0,0,0,0|1,1,0]=3 1235 B13R1.354 CCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210202 [0,1,0,0,0,0|1,1,0]=3 1236 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210202 [0,1,0,0,0,0|1,1,0]=3 1237 B13R1.354 CCSc1cc(ccc1C)C(=O)N 62a_100000210202_100000186401 [0,1,0,0,0,0|1,1,0]=3 1238 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000210202_100000239719 [0,1,0,0,0,0|1,1,0]=3 1239 B13R1.354 CCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210202 [0,1,0,0,0,0|1,1,0]=3 1240 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100000210202_100011202321 [0,1,0,0,0,0|1,1,0]=3 1241 B13R1.354 CCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210202 [0,1,0,0,0,0|1,1,0]=3 1242 B13R1.354 CCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210202 [0,1,0,0,0,0|1,1,0]=3 1243 B13R1.354 CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210202 [0,1,0,0,0,0|0,1,0]=2 1244 B13R1.354 CCSc1cc(cnc1F)C(=O)C 62a_100000210202_200010135287 [0,1,0,0,0,0|2,1,0]=4 1245 B13R1.354 CCSc1cc(cnc1F)C(=O)C 62a_200010135287_100000210202 [0,1,0,0,0,0|2,1,0]=4 1246 B13R1.354 CNCc1cc(ccc1Br)C(=O)N 26a_100102657272_100012344895 [0,1,0,0,0,0|3,0,0]=4 1247 B13R1.354 CNCc1cc(ccc1F)C(=O)C 26a_100102657272_100000117923 [0,1,0,0,0,0|3,0,0]=4 1248 B13R1.354 CNCc1cc(ccc1O)C(=O)C 34a_100102657272_100000010293 [0,1,0,0,0,0|2,0,0]=3 1249 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 2230a_106832991635_200009813932 [0,1,0,0,0,0|3,0,0]=4 1250 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 34a_100102657272_200009813932 [0,1,0,0,0,0|3,0,0]=4 1251 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] 7a_106832991635_200009813932 [0,1,0,0,0,0|3,0,0]=4 1252 B13R1.354 COCc1cc(ccc1O)C(=O)C 34a_100138415774_100000010293 [0,1,0,0,0,0|2,0,0]=3 1253 B13R1.354 COCc1cc(ccc1O)[N+](=O)[O-] 34a_100138415774_200009813932 [0,1,0,0,0,0|3,0,0]=4 1254 B13R1.354 CSCc1cc(ccc1O)C(=O)C 62a_100000010293_200000210301 [0,1,0,0,0,0|2,0,0]=3 1255 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 34a_100000188646_100015361967 [0,1,0,0,0,0|3,0,0]=4 1256 B13R1.354 Cc1ccc(cc1NCF)C(=O)N 7a_100000188646_100015361967 [0,1,0,0,0,0|3,0,0]=4 1257 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000740739_100015361967 [0,1,0,0,0,0|3,0,0]=4 1258 B13R1.354 Cc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000740739_100015361967 [0,1,0,0,0,0|3,0,0]=4 1259 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100000186401_100015361967 [0,1,0,0,0,0|2,1,0]=4 1260 B13R1.354 Cc1ccc(cc1SCF)C(=O)N 62a_100015361967_100000186401 [0,1,0,0,0,0|2,1,0]=4 1261 B13R1.354 NC(=O)c1ccc(c(c1)NCF)Cl 34a_100000736751_100015361967 [0,1,0,0,0,0|3,0,0]=4 1262 B13R1.354 NC(=O)c1ccc(c(c1)NCF)F 34a_100000740466_100015361967 [0,1,0,0,0,0|3,0,0]=4 1263 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 34a_100012344895_100015361967 [0,1,0,0,0,0|2,0,0]=3 1264 B13R1.354 NC(=O)c1ccc(c(c1)OCF)Br 7a_100012344895_100015361967 [0,1,0,0,0,0|2,0,0]=3 1265 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 34a_100011850428_100015361967 [0,1,0,0,0,0|2,0,0]=3 1266 B13R1.354 NC(=O)c1ccc(c(c1)OCF)N 7a_100011850428_100015361967 [0,1,0,0,0,0|2,0,0]=3 1267 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100011202321_100015361967 [0,1,0,0,0,0|2,1,0]=4 1268 B13R1.354 NC(=O)c1ccc(c(c1)SCF)F 62a_100015361967_100011202321 [0,1,0,0,0,0|2,1,0]=4 1269 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000210499_100015361967 [0,1,0,0,0,0|3,0,0]=4 1270 B13R1.354 Nc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000210499_100015361967 [0,1,0,0,0,0|3,0,0]=4 1271 B13R1.354 O=[N+]([O-])c1ccc(c(c1)NCF)O 7a_100000181223_100015361967 [0,1,0,0,0,0|3,0,0]=4 1272 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 34a_100000691124_100015361967 [0,1,0,0,0,0|3,0,0]=4 1273 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Br 7a_100000691124_100015361967 [0,1,0,0,0,0|3,0,0]=4 1274 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 34a_100000188705_100015361967 [0,1,0,0,0,0|3,0,0]=4 1275 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)Cl 7a_100000188705_100015361967 [0,1,0,0,0,0|3,0,0]=4 1276 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 34a_100011294461_100015361967 [0,1,0,0,0,0|3,0,0]=4 1277 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)F 7a_100011294461_100015361967 [0,1,0,0,0,0|3,0,0]=4 1278 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 34a_100000072739_100015361967 [0,1,0,0,0,0|3,0,0]=4 1279 B13R1.354 O=[N+]([O-])c1ccc(c(c1)OCF)I 7a_100000072739_100015361967 [0,1,0,0,0,0|3,0,0]=4 1280 B13R1.355 C=C=Cc1cc(ccc1OC)C=O 271570a_100015277604_100000173361 [0,1,0,0,0,0|1,0,2]=4 1281 B13R1.355 C=Cc1cc(c(cn1)CO)NCC 271570a_100011290941_100009950477 [0,1,0,0,0,0|3,0,0]=4 1282 B13R1.355 C=Cc1ccc(c(c1)CCN)OC 271570a_100011290941_100000763266 [0,1,0,0,0,0|3,0,0]=4 1283 B13R1.355 C=Cc1ccc(c(c1)CNC)OC 271570a_100011290941_100000690607 [0,1,0,0,0,0|3,0,0]=4 1284 B13R1.355 C=Cc1ccc(c(c1)COC)OC 271570a_100011290941_200011493686 [0,1,0,0,0,0|3,0,0]=4 1285 B13R1.355 C=Cc1ccc(c(c1)OCC)C#N 271570a_100011290941_100013120067 [0,1,0,0,0,0|2,0,0]=3 1286 B13R1.355 C=Cc1ccc(c(c1)OCC)OC 271570a_100011290941_200010219349 [0,1,0,0,0,0|1,0,0]=2 1287 B13R1.355 C=Cc1ccc(cc1OCC)C=O 271570a_100011290941_200010381951 [0,1,0,0,0,0|1,0,0]=2 1288 B13R1.355 C=Cc1ncc(c(n1)OCC)OC 271570a_100011290941_200010280453 [0,1,0,0,0,0|3,0,0]=4 1289 B13R1.355 CC=Cc1cc(ccc1C#N)C=O 271570a_100016259895_100012355660 [0,1,0,0,0,0|2,0,1]=4 1290 B13R1.355 CC=Cc1cc(ccc1C=O)C=O 271570a_100016259895_100015597013 [0,1,0,0,0,0|1,0,2]=4 1291 B13R1.355 CC=Cc1cc(ccc1NC)C=O 271570a_100016259895_200010290468 [0,1,0,0,0,0|2,0,1]=4 1292 B13R1.355 CC=Cc1cc(ccc1OC)C=O 271570a_100016259895_100000173361 [0,1,0,0,0,0|1,0,1]=3 1293 B13R1.355 CC=Cc1cc(cnc1OC)C=O 271570a_100016259895_200010064893 [0,1,0,0,0,0|2,0,1]=4 1294 B13R1.355 CC=Cc1cc(ncc1OC)C=O 271570a_100016259895_100010893078 [0,1,0,0,0,0|2,0,1]=4 1295 B13R1.355 CC=Cc1nc(ccc1OC)C=O 271570a_100016259895_100010174741 [0,1,0,0,0,0|2,0,1]=4 1296 B13R1.355 CCNc1cc(ccc1CO)OC 34a_100011998734_100000210202 [0,1,0,0,0,0|3,0,0]=4 1297 B13R1.355 CCNc1cc(ccc1OC)C#N 34a_100000747721_100000210202 [0,1,0,0,0,0|2,0,1]=4 1298 B13R1.355 CCNc1cc(ccc1OC)C#N 7a_100000747721_100000210202 [0,1,0,0,0,0|2,0,1]=4 1299 B13R1.355 CCNc1cc(ccc1OC)CC 2230a_100012035449_100000210202 [0,1,0,0,0,0|2,0,1]=4 1300 B13R1.355 CCNc1cc(ccc1OC)CC 34a_100012035449_100000210202 [0,1,0,0,0,0|2,0,1]=4 1301 B13R1.355 CCNc1cc(ccc1OC)CO 2230a_100011269841_100000210202 [0,1,0,0,0,0|1,0,2]=4 1302 B13R1.355 CCNc1cc(ccc1OC)CO 34a_100011269841_100000210202 [0,1,0,0,0,0|1,0,2]=4 1303 B13R1.355 CCNc1cc(ccc1OC)OC 2230a_100000184736_100000210202 [0,1,0,0,0,0|3,0,0]=4 1304 B13R1.355 CCNc1cc(ccc1OC)OC 34a_100000184736_100000210202 [0,1,0,0,0,0|3,0,0]=4 1305 B13R1.355 CCOc1cc(ccc1C#N)OC 34a_100011999188_100000210202 [0,1,0,0,0,0|3,0,0]=4 1306 B13R1.355 CCOc1cc(ccc1C#N)OC 7a_100011999188_100000210202 [0,1,0,0,0,0|3,0,0]=4 1307 B13R1.355 CCOc1cc(ccc1C#N)SC 62a_200000210301_100013120067 [0,1,0,0,0,0|3,0,0]=4 1308 B13R1.355 CCOc1cc(ccc1C#N)S[13CH3] 62a_200025704644_100013120067 [0,1,0,0,0,0|3,0,0]=4 1309 B13R1.355 CCOc1cc(ccc1CO)CO 34a_200010669990_100000210202 [0,1,0,0,0,0|0,0,2]=3 1310 B13R1.355 CCOc1cc(ccc1N=O)OC 34a_200010658452_100000210202 [0,1,0,0,0,0|2,0,1]=4 1311 B13R1.355 CCOc1cc(ccc1N=O)OC 7a_200010658452_100000210202 [0,1,0,0,0,0|2,0,1]=4 1312 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000181481_200000210301 [0,1,0,0,0,0|1,0,1]=3 1313 B13R1.355 CCOc1cc(ccc1OC)C#N 34a_100000188611_100000210202 [0,1,0,0,0,0|1,0,1]=3 1314 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000181481_200000210301 [0,1,0,0,0,0|1,0,1]=3 1315 B13R1.355 CCOc1cc(ccc1OC)C#N 7a_100000188611_100000210202 [0,1,0,0,0,0|1,0,1]=3 1316 B13R1.355 CCOc1cc(ccc1OC)CC 34a_100009844796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1317 B13R1.355 CCOc1cc(ccc1OC)CC 7a_100009844796_100000210202 [0,1,0,0,0,0|1,0,1]=3 1318 B13R1.355 CCOc1cc(ccc1OC)CN 34a_100000740000_100000210202 [0,1,0,0,0,0|1,0,1]=3 1319 B13R1.355 CCOc1cc(ccc1OC)CN 34a_200000751567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1320 B13R1.355 CCOc1cc(ccc1OC)CO 34a_100011215239_100000210202 [0,1,0,0,0,0|0,0,2]=3 1321 B13R1.355 CCOc1cc(ccc1OC)CO 34a_200011232662_200000210301 [0,1,0,0,0,0|0,0,2]=3 1322 B13R1.355 CCOc1cc(ccc1OC)OC 34a_100000074795_100000210202 [0,1,0,0,0,0|2,0,0]=3 1323 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 34a_100000181481_200025704644 [0,1,0,0,0,0|1,0,1]=3 1324 B13R1.355 CCOc1cc(ccc1O[13CH3])C#N 7a_100000181481_200025704644 [0,1,0,0,0,0|1,0,1]=3 1325 B13R1.355 CCOc1cc(ccc1O[13CH3])CN 34a_200000751567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1326 B13R1.355 CCOc1cc(ccc1O[13CH3])CO 34a_200011232662_200025704644 [0,1,0,0,0,0|0,0,2]=3 1327 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200000210301_200010381951 [0,1,0,0,0,0|0,1,0]=2 1328 B13R1.355 CCOc1cc(ccc1SC)C=O 62a_200010381951_200000210301 [0,1,0,0,0,0|0,1,0]=2 1329 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200010381951_200025704644 [0,1,0,0,0,0|0,1,0]=2 1330 B13R1.355 CCOc1cc(ccc1S[13CH3])C=O 62a_200025704644_200010381951 [0,1,0,0,0,0|0,1,0]=2 1331 B13R1.355 CCSc1cc(ccc1C#N)C=O 62a_100000210202_100012355660 [0,1,0,0,0,0|1,1,0]=3 1332 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100000210202_100015597013 [0,1,0,0,0,0|0,1,1]=3 1333 B13R1.355 CCSc1cc(ccc1C=O)C=O 62a_100015597013_100000210202 [0,1,0,0,0,0|0,1,1]=3 1334 B13R1.355 CCSc1cc(ccc1CO)C#N 62a_100000210202_100010214422 [0,1,0,0,0,0|1,1,1]=4 1335 B13R1.355 CCSc1cc(ccc1CO)CO 62a_100000210202_100010881536 [0,1,0,0,0,0|0,1,2]=4 1336 B13R1.355 CCSc1cc(ccc1CO)CO 62a_100010881536_100000210202 [0,1,0,0,0,0|0,1,2]=4 1337 B13R1.355 CCSc1cc(ccc1CO)OC 62a_100000210202_100011982768 [0,1,0,0,0,0|2,1,0]=4 1338 B13R1.355 CCSc1cc(ccc1CO)OC 62a_100011982768_100000210202 [0,1,0,0,0,0|2,1,0]=4 1339 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_100000210202_200010290468 [0,1,0,0,0,0|1,1,0]=3 1340 B13R1.355 CCSc1cc(ccc1NC)C=O 62a_200010290468_100000210202 [0,1,0,0,0,0|1,1,0]=3 1341 B13R1.355 CCSc1cc(ccc1OC)C#N 62a_100000210202_100000188253 [0,1,0,0,0,0|1,1,1]=4 1342 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210202 [0,1,0,0,0,0|0,1,0]=2 1343 B13R1.355 CCSc1cc(ccc1OC)C=O 62a_100000210202_100000173361 [0,1,0,0,0,0|0,1,0]=2 1344 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100000210202_100010062400 [0,1,0,0,0,0|1,1,1]=4 1345 B13R1.355 CCSc1cc(ccc1OC)CC 62a_100010062400_100000210202 [0,1,0,0,0,0|1,1,1]=4 1346 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100000210202_100159240714 [0,1,0,0,0,0|1,1,1]=4 1347 B13R1.355 CCSc1cc(ccc1OC)CN 62a_100159240714_100000210202 [0,1,0,0,0,0|1,1,1]=4 1348 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000210202_100000246451 [0,1,0,0,0,0|0,1,2]=4 1349 B13R1.355 CCSc1cc(ccc1OC)CO 62a_100000246451_100000210202 [0,1,0,0,0,0|0,1,2]=4 1350 B13R1.355 CCSc1cc(ccc1OC)NC 62a_100000210202_114948341033 [0,1,0,0,0,0|2,1,0]=4 1351 B13R1.355 CCSc1cc(ccc1OC)NC 62a_114948341033_100000210202 [0,1,0,0,0,0|2,1,0]=4 1352 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100000210202_100011215452 [0,1,0,0,0,0|2,1,0]=4 1353 B13R1.355 CCSc1cc(ccc1OC)OC 62a_100011215452_100000210202 [0,1,0,0,0,0|2,1,0]=4 1354 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_100000210202_200010064893 [0,1,0,0,0,0|1,1,0]=3 1355 B13R1.355 CCSc1cc(cnc1OC)C=O 62a_200010064893_100000210202 [0,1,0,0,0,0|1,1,0]=3 1356 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100000210202_100010893078 [0,1,0,0,0,0|1,1,0]=3 1357 B13R1.355 CCSc1cc(ncc1OC)C=O 62a_100010893078_100000210202 [0,1,0,0,0,0|1,1,0]=3 1358 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100000210202_100010174741 [0,1,0,0,0,0|1,1,0]=3 1359 B13R1.355 CCSc1nc(ccc1OC)C=O 62a_100010174741_100000210202 [0,1,0,0,0,0|1,1,0]=3 1360 B13R1.355 CCc1ccc(c(c1)OCF)OC 34a_100009844796_100015361967 [0,1,0,0,0,0|2,0,1]=4 1361 B13R1.355 CCc1ccc(c(c1)OCF)OC 7a_100009844796_100015361967 [0,1,0,0,0,0|2,0,1]=4 1362 B13R1.355 CNCc1cc(ccc1OC)C=O 2230a_106832991635_100000028394 [0,1,0,0,0,0|2,0,0]=3 1363 B13R1.355 CNCc1cc(ccc1OC)C=O 34a_100102657272_100000028394 [0,1,0,0,0,0|2,0,0]=3 1364 B13R1.355 CNCc1cc(ccc1OC)C=O 7a_106832991635_100000028394 [0,1,0,0,0,0|2,0,0]=3 1365 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_100015361967_200010290468 [0,1,0,0,0,0|2,1,0]=4 1366 B13R1.355 CNc1ccc(cc1SCF)C=O 62a_200010290468_100015361967 [0,1,0,0,0,0|2,1,0]=4 1367 B13R1.355 COCc1cc(ccc1OC)C=O 34a_100138415774_100000028394 [0,1,0,0,0,0|2,0,0]=3 1368 B13R1.355 COc1ccc(c(c1)OCF)OC 34a_100000074795_100015361967 [0,1,0,0,0,0|3,0,0]=4 1369 B13R1.355 COc1ccc(cc1CSC)C=O 62a_100000028394_200000210301 [0,1,0,0,0,0|2,0,0]=3 1370 B13R1.355 COc1ccc(cc1CSC)C=O 62a_200000210301_100000028394 [0,1,0,0,0,0|2,0,0]=3 1371 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_100000028394_200025704644 [0,1,0,0,0,0|2,0,0]=3 1372 B13R1.355 COc1ccc(cc1CS[13CH3])C=O 62a_200025704644_100000028394 [0,1,0,0,0,0|2,0,0]=3 1373 B13R1.355 COc1ccc(cc1OCF)C#N 34a_100000188611_100015361967 [0,1,0,0,0,0|2,0,1]=4 1374 B13R1.355 COc1ccc(cc1OCF)C#N 7a_100000188611_100015361967 [0,1,0,0,0,0|2,0,1]=4 1375 B13R1.355 COc1ccc(cc1OCF)CN 34a_100000740000_100015361967 [0,1,0,0,0,0|2,0,1]=4 1376 B13R1.355 COc1ccc(cc1OCF)CO 34a_100011215239_100015361967 [0,1,0,0,0,0|1,0,2]=4 1377 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100000173361_100015361967 [0,1,0,0,0,0|1,1,0]=3 1378 B13R1.355 COc1ccc(cc1SCF)C=O 62a_100015361967_100000173361 [0,1,0,0,0,0|1,1,0]=3 1379 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100010174741_100015361967 [0,1,0,0,0,0|2,1,0]=4 1380 B13R1.355 COc1ccc(nc1SCF)C=O 62a_100015361967_100010174741 [0,1,0,0,0,0|2,1,0]=4 1381 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100010893078_100015361967 [0,1,0,0,0,0|2,1,0]=4 1382 B13R1.355 COc1cnc(cc1SCF)C=O 62a_100015361967_100010893078 [0,1,0,0,0,0|2,1,0]=4 1383 B13R1.355 COc1ncc(cc1SCF)C=O 62a_100015361967_200010064893 [0,1,0,0,0,0|2,1,0]=4 1384 B13R1.355 COc1ncc(cc1SCF)C=O 62a_200010064893_100015361967 [0,1,0,0,0,0|2,1,0]=4 1385 B13R1.355 N#Cc1ccc(cc1SCF)C=O 62a_100015361967_100012355660 [0,1,0,0,0,0|2,1,0]=4 1386 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015361967_100015597013 [0,1,0,0,0,0|1,1,1]=4 1387 B13R1.355 O=Cc1ccc(c(c1)SCF)C=O 62a_100015597013_100015361967 [0,1,0,0,0,0|1,1,1]=4 1388 B13R1.355 OCc1ccc(c(c1)OCF)CO 34a_200010669990_100015361967 [0,1,0,0,0,0|1,0,2]=4 1389 B13R1.384 C=C=Cc1cc(c(cn1)N)OCC 271570a_100015277604_100015764953 [0,1,0,0,0,0|3,0,0]=4 1390 B13R1.384 C=C=Cc1ccc(c(c1)CNC)O 271570a_100015277604_100011602694 [0,1,0,0,0,0|3,0,0]=4 1391 B13R1.384 C=C=Cc1ccc(c(c1)NCC)N 271570a_100015277604_100000696630 [0,1,0,0,0,0|3,0,0]=4 1392 B13R1.384 C=C=Cc1ccc(c(c1)OCC)C 271570a_100015277604_100012361169 [0,1,0,0,0,0|2,0,0]=3 1393 B13R1.384 C=C=Cc1ccc(c(c1)OCC)F 271570a_100015277604_200012344967 [0,1,0,0,0,0|2,0,0]=3 1394 B13R1.384 C=C=Cc1ccc(c(c1)OCC)N 271570a_100015277604_100000688918 [0,1,0,0,0,0|2,0,0]=3 1395 B13R1.384 C=C=Cc1cnc(c(c1)OCC)F 271570a_100015277604_100010732568 [0,1,0,0,0,0|3,0,0]=4 1396 B13R1.384 CC=Cc1cc(c(cn1)N)OCC 271570a_100016259895_100015764953 [0,1,0,0,0,0|3,0,0]=4 1397 B13R1.384 CC=Cc1ccc(c(c1)CNC)O 271570a_100016259895_100011602694 [0,1,0,0,0,0|3,0,0]=4 1398 B13R1.384 CC=Cc1ccc(c(c1)NCC)N 271570a_100016259895_100000696630 [0,1,0,0,0,0|3,0,0]=4 1399 B13R1.384 CC=Cc1ccc(c(c1)OCC)C 271570a_100016259895_100012361169 [0,1,0,0,0,0|2,0,0]=3 1400 B13R1.384 CC=Cc1ccc(c(c1)OCC)F 271570a_100016259895_200012344967 [0,1,0,0,0,0|2,0,0]=3 1401 B13R1.384 CC=Cc1ccc(c(c1)OCC)N 271570a_100016259895_100000688918 [0,1,0,0,0,0|2,0,0]=3 1402 B13R1.384 CC=Cc1cnc(c(c1)OCC)F 271570a_100016259895_100010732568 [0,1,0,0,0,0|3,0,0]=4 1403 B13R1.384 CCNc1ccc(c(c1)OCC)Br 2230a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1404 B13R1.384 CCNc1ccc(c(c1)OCC)Br 34a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1405 B13R1.384 CCNc1ccc(c(c1)OCC)Br 7a_200016990551_100000210202 [0,1,0,0,0,0|2,0,1]=4 1406 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 2230a_100011964961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1407 B13R1.384 CCNc1ccc(c(c1)OCC)Cl 34a_100011964961_100000210202 [0,1,0,0,0,0|2,0,1]=4 1408 B13R1.384 CCOc1cc(ccc1Br)CNC 207a_100102657272_200010381951 [0,1,0,0,0,0|2,0,1]=4 1409 B13R1.384 CCOc1cc(ccc1Br)CNC 270004a_106832991635_200010381951 [0,1,0,0,0,0|2,0,1]=4 1410 B13R1.384 CCOc1cc(ccc1Br)NCF 34a_200016990551_100015361967 [0,1,0,0,0,0|2,0,1]=4 1411 B13R1.384 CCOc1cc(ccc1Br)NCF 7a_200016990551_100015361967 [0,1,0,0,0,0|2,0,1]=4 1412 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100000210202_100012361169 [0,1,0,0,0,0|2,0,1]=4 1413 B13R1.384 CCOc1cc(ccc1C)SCC 62a_100012361169_100000210202 [0,1,0,0,0,0|2,0,1]=4 1414 B13R1.384 CCOc1cc(ccc1C)SCF 62a_100012361169_100015361967 [0,1,0,0,0,0|2,0,1]=4 1415 B13R1.384 CCOc1cc(ccc1C)SCF 62a_100015361967_100012361169 [0,1,0,0,0,0|2,0,1]=4 1416 B13R1.384 CCOc1cc(ccc1Cl)NCF 34a_100011964961_100015361967 [0,1,0,0,0,0|2,0,1]=4 1417 B13R1.384 CCOc1cc(ccc1F)CNC 207a_100102657272_200000106648 [0,1,0,0,0,0|2,0,1]=4 1418 B13R1.384 CCOc1cc(ccc1F)CNC 270004a_106832991635_200000106648 [0,1,0,0,0,0|2,0,1]=4 1419 B13R1.384 CCOc1cc(ccc1F)SCC 62a_100000210202_200012344967 [0,1,0,0,0,0|2,0,1]=4 1420 B13R1.384 CCOc1cc(ccc1F)SCC 62a_200012344967_100000210202 [0,1,0,0,0,0|2,0,1]=4 1421 B13R1.384 CCOc1cc(ccc1F)SCF 62a_100015361967_200012344967 [0,1,0,0,0,0|2,0,1]=4 1422 B13R1.384 CCOc1cc(ccc1F)SCF 62a_200012344967_100015361967 [0,1,0,0,0,0|2,0,1]=4 1423 B13R1.384 CCOc1cc(ccc1N)SCC 62a_100000688918_100000210202 [0,1,0,0,0,0|2,0,1]=4 1424 B13R1.384 CCOc1cc(ccc1N)SCF 62a_100000688918_100015361967 [0,1,0,0,0,0|2,0,1]=4 1425 B13R1.384 CCOc1cc(ccc1O)CNC 34a_200000751567_200000210301 [0,1,0,0,0,0|1,0,1]=3 1426 B13R1.384 CCOc1cc(ccc1O)CN[13CH3] 34a_200000751567_200025704644 [0,1,0,0,0,0|1,0,1]=3 1427 B13R1.384 CCOc1ccc(c(n1)OCC)O 271570a_203496583355_200010081131 [0,1,0,0,0,0|2,0,1]=4 1428 B13R1.558 C#CCSc1cc(ccc1Br)C=O 62a_100000038162_100010146563 [0,1,0,0,0,0|1,1,1]=4 1429 B13R1.558 C#CCSc1cc(ccc1C)C=O 62a_100000038162_100000695567 [0,1,0,0,0,0|1,1,1]=4 1430 B13R1.558 C#CCSc1cc(ccc1Cl)C=O 62a_100000038162_100010209939 [0,1,0,0,0,0|1,1,1]=4 1431 B13R1.558 C#CCSc1cc(ccc1F)C=O 62a_100000038162_100000211747 [0,1,0,0,0,0|1,1,1]=4 1432 B13R1.558 C#CCSc1cc(ccc1O)C=O 62a_100000038162_100000184552 [0,1,0,0,0,0|0,1,1]=3 1433 B13R1.558 C#CCSc1cc(cnc1O)C=O 62a_100000038162_100010064886 [0,1,0,0,0,0|1,1,1]=4 1434 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100000210623_100010146563 [0,1,0,0,0,0|1,1,1]=4 1435 B13R1.558 C=CCSc1cc(ccc1Br)C=O 62a_100010146563_100000210623 [0,1,0,0,0,0|1,1,1]=4 1436 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000210623_100000695567 [0,1,0,0,0,0|1,1,1]=4 1437 B13R1.558 C=CCSc1cc(ccc1C)C=O 62a_100000695567_100000210623 [0,1,0,0,0,0|1,1,1]=4 1438 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100000210623_100010209939 [0,1,0,0,0,0|1,1,1]=4 1439 B13R1.558 C=CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210623 [0,1,0,0,0,0|1,1,1]=4 1440 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000210623_100000211747 [0,1,0,0,0,0|1,1,1]=4 1441 B13R1.558 C=CCSc1cc(ccc1F)C=O 62a_100000211747_100000210623 [0,1,0,0,0,0|1,1,1]=4 1442 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000184552_100000210623 [0,1,0,0,0,0|0,1,1]=3 1443 B13R1.558 C=CCSc1cc(ccc1O)C=O 62a_100000210623_100000184552 [0,1,0,0,0,0|0,1,1]=3 1444 B13R1.558 C=CCSc1cc(cnc1O)C=O 62a_100000210623_100010064886 [0,1,0,0,0,0|1,1,1]=4 1445 B13R1.558 C=CCSc1cc(cnc1O)C=O 62a_100010064886_100000210623 [0,1,0,0,0,0|1,1,1]=4 1446 B13R1.558 C=Cc1ccc(c(c1)CNCC)F 271570a_100011290941_100000748473 [0,1,0,0,0,0|3,0,0]=4 1447 B13R1.558 C=Cc1ccc(c(c1)CNCC)O 271570a_100011290941_100000765307 [0,1,0,0,0,0|2,0,0]=3 1448 B13R1.558 CCCCc1cc(ccc1Br)C=O 271570a_100020621405_100010146563 [0,1,0,0,0,0|2,0,0]=3 1449 B13R1.558 CCCCc1cc(ccc1C)C=O 271570a_100020621405_100000695567 [0,1,0,0,0,0|2,0,0]=3 1450 B13R1.558 CCCCc1cc(ccc1Cl)C=O 271570a_100020621405_100010209939 [0,1,0,0,0,0|2,0,0]=3 1451 B13R1.558 CCCCc1cc(ccc1F)C=O 271570a_100020621405_100000211747 [0,1,0,0,0,0|2,0,0]=3 1452 B13R1.558 CCCCc1cc(ccc1O)C#N 271570a_100020621405_100000725478 [0,1,0,0,0,0|2,0,1]=4 1453 B13R1.558 CCCCc1cc(ccc1O)C=O 271570a_100020621405_100000184552 [0,1,0,0,0,0|1,0,0]=2 1454 B13R1.558 CCCCc1cc(ccc1O)CC 271570a_100020621405_100012339963 [0,1,0,0,0,0|2,0,1]=4 1455 B13R1.558 CCCCc1cc(ccc1O)CO 271570a_100020621405_100011191544 [0,1,0,0,0,0|1,0,2]=4 1456 B13R1.558 CCCCc1cc(ccc1O)OC 271570a_100020621405_100000685887 [0,1,0,0,0,0|3,0,0]=4 1457 B13R1.558 CCCCc1cc(cnc1N)C=O 271570a_100020621405_100010064899 [0,1,0,0,0,0|3,0,0]=4 1458 B13R1.558 CCCCc1cc(cnc1O)C=O 271570a_100020621405_100010064886 [0,1,0,0,0,0|2,0,0]=3 1459 B13R1.558 CCCCc1cc(ncc1C)C=O 271570a_100020621405_100010174032 [0,1,0,0,0,0|3,0,0]=4 1460 B13R1.558 CCCNc1cc(ccc1O)C#N 34a_100000766272_100000210303 [0,1,0,0,0,0|2,0,1]=4 1461 B13R1.558 CCCNc1cc(ccc1O)C#N 7a_100000766272_100000210303 [0,1,0,0,0,0|2,0,1]=4 1462 B13R1.558 CCCNc1cc(ccc1O)CC 34a_100000765835_100000210303 [0,1,0,0,0,0|2,0,1]=4 1463 B13R1.558 CCCNc1cc(ccc1O)CO 34a_100000123545_100000210303 [0,1,0,0,0,0|1,0,2]=4 1464 B13R1.558 CCCNc1cc(ccc1O)OC 34a_100000188146_100000210303 [0,1,0,0,0,0|3,0,0]=4 1465 B13R1.558 CCCOc1cc(ccc1Br)C#N 34a_100009877741_100000210303 [0,1,0,0,0,0|2,0,1]=4 1466 B13R1.558 CCCOc1cc(ccc1Br)C#N 7a_100009877741_100000210303 [0,1,0,0,0,0|2,0,1]=4 1467 B13R1.558 CCCOc1cc(ccc1Br)CO 34a_100010191536_100000210303 [0,1,0,0,0,0|1,0,2]=4 1468 B13R1.558 CCCOc1cc(ccc1Br)CO 7a_100010191536_100000210303 [0,1,0,0,0,0|1,0,2]=4 1469 B13R1.558 CCCOc1cc(ccc1Br)OC 34a_100000719091_100000210303 [0,1,0,0,0,0|3,0,0]=4 1470 B13R1.558 CCCOc1cc(ccc1Br)OC 7a_100000719091_100000210303 [0,1,0,0,0,0|3,0,0]=4 1471 B13R1.558 CCCOc1cc(ccc1C)C#N 34a_100000765541_100000210303 [0,1,0,0,0,0|2,0,1]=4 1472 B13R1.558 CCCOc1cc(ccc1C)C#N 7a_100000765541_100000210303 [0,1,0,0,0,0|2,0,1]=4 1473 B13R1.558 CCCOc1cc(ccc1C)OC 34a_100012179981_100000210303 [0,1,0,0,0,0|3,0,0]=4 1474 B13R1.558 CCCOc1cc(ccc1C)OC 7a_100012179981_100000210303 [0,1,0,0,0,0|3,0,0]=4 1475 B13R1.558 CCCOc1cc(ccc1Cl)C#N 34a_100012186312_100000210303 [0,1,0,0,0,0|2,0,1]=4 1476 B13R1.558 CCCOc1cc(ccc1Cl)C#N 7a_100012186312_100000210303 [0,1,0,0,0,0|2,0,1]=4 1477 B13R1.558 CCCOc1cc(ccc1Cl)CN 34a_100020636435_100000210303 [0,1,0,0,0,0|2,0,1]=4 1478 B13R1.558 CCCOc1cc(ccc1Cl)CO 34a_100009876509_100000210303 [0,1,0,0,0,0|1,0,2]=4 1479 B13R1.558 CCCOc1cc(ccc1Cl)CO 7a_100009876509_100000210303 [0,1,0,0,0,0|1,0,2]=4 1480 B13R1.558 CCCOc1cc(ccc1Cl)OC 34a_100011516019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1481 B13R1.558 CCCOc1cc(ccc1Cl)OC 7a_100011516019_100000210303 [0,1,0,0,0,0|3,0,0]=4 1482 B13R1.558 CCCOc1cc(ccc1F)C#N 34a_100000069402_100000210303 [0,1,0,0,0,0|2,0,1]=4 1483 B13R1.558 CCCOc1cc(ccc1F)C#N 7a_100000069402_100000210303 [0,1,0,0,0,0|2,0,1]=4 1484 B13R1.558 CCCOc1cc(ccc1F)CN 34a_100160469508_100000210303 [0,1,0,0,0,0|2,0,1]=4 1485 B13R1.558 CCCOc1cc(ccc1F)CO 34a_100009842347_100000210303 [0,1,0,0,0,0|1,0,2]=4 1486 B13R1.558 CCCOc1cc(ccc1F)CO 7a_100009842347_100000210303 [0,1,0,0,0,0|1,0,2]=4 1487 B13R1.558 CCCOc1cc(ccc1F)OC 34a_100012178750_100000210303 [0,1,0,0,0,0|3,0,0]=4 1488 B13R1.558 CCCOc1cc(ccc1F)OC 7a_100012178750_100000210303 [0,1,0,0,0,0|3,0,0]=4 1489 B13R1.558 CCCOc1cc(ccc1I)C#N 34a_100000724445_100000210303 [0,1,0,0,0,0|2,0,1]=4 1490 B13R1.558 CCCOc1cc(ccc1I)C#N 7a_100000724445_100000210303 [0,1,0,0,0,0|2,0,1]=4 1491 B13R1.558 CCCOc1cc(ccc1I)CO 34a_100000049605_100000210303 [0,1,0,0,0,0|1,0,2]=4 1492 B13R1.558 CCCOc1cc(ccc1I)CO 7a_100000049605_100000210303 [0,1,0,0,0,0|1,0,2]=4 1493 B13R1.558 CCCOc1cc(ccc1I)OC 34a_100010168831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1494 B13R1.558 CCCOc1cc(ccc1I)OC 7a_100010168831_100000210303 [0,1,0,0,0,0|3,0,0]=4 1495 B13R1.558 CCCOc1cc(ccc1N)C#N 34a_100011997735_100000210303 [0,1,0,0,0,0|2,0,1]=4 1496 B13R1.558 CCCOc1cc(ccc1N)C#N 7a_100011997735_100000210303 [0,1,0,0,0,0|2,0,1]=4 1497 B13R1.558 CCCOc1cc(ccc1N)CC 34a_100000124328_100000210303 [0,1,0,0,0,0|2,0,1]=4 1498 B13R1.558 CCCOc1cc(ccc1N)CC 7a_100000124328_100000210303 [0,1,0,0,0,0|2,0,1]=4 1499 B13R1.558 CCCOc1cc(ccc1N)OC 34a_100016989039_100000210303 [0,1,0,0,0,0|3,0,0]=4 1500 B13R1.558 CCCOc1cc(ccc1N)OC 7a_100016989039_100000210303 [0,1,0,0,0,0|3,0,0]=4 1501 B13R1.558 CCCSc1cc(ccc1Br)C=O 62a_100000210303_100010146563 [0,1,0,0,0,0|1,1,0]=3 1502 B13R1.558 CCCSc1cc(ccc1Br)C=O 62a_100010146563_100000210303 [0,1,0,0,0,0|1,1,0]=3 1503 B13R1.558 CCCSc1cc(ccc1C)C=O 62a_100000210303_100000695567 [0,1,0,0,0,0|1,1,0]=3 1504 B13R1.558 CCCSc1cc(ccc1C)C=O 62a_100000695567_100000210303 [0,1,0,0,0,0|1,1,0]=3 1505 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100000210303_100010209939 [0,1,0,0,0,0|1,1,0]=3 1506 B13R1.558 CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210303 [0,1,0,0,0,0|1,1,0]=3 1507 B13R1.558 CCCSc1cc(ccc1F)C=O 62a_100000210303_100000211747 [0,1,0,0,0,0|1,1,0]=3 1508 B13R1.558 CCCSc1cc(ccc1F)C=O 62a_100000211747_100000210303 [0,1,0,0,0,0|1,1,0]=3 1509 B13R1.558 CCCSc1cc(ccc1O)C#N 62a_100000210303_100000725478 [0,1,0,0,0,0|1,1,1]=4 1510 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000184552_100000210303 [0,1,0,0,0,0|0,1,0]=2 1511 B13R1.558 CCCSc1cc(ccc1O)C=O 62a_100000210303_100000184552 [0,1,0,0,0,0|0,1,0]=2 1512 B13R1.558 CCCSc1cc(ccc1O)CC 62a_100000210303_100012339963 [0,1,0,0,0,0|1,1,1]=4 1513 B13R1.558 CCCSc1cc(ccc1O)CC 62a_100012339963_100000210303 [0,1,0,0,0,0|1,1,1]=4 1514 B13R1.558 CCCSc1cc(ccc1O)CO 62a_100000210303_100011191544 [0,1,0,0,0,0|0,1,2]=4 1515 B13R1.558 CCCSc1cc(ccc1O)CO 62a_100011191544_100000210303 [0,1,0,0,0,0|0,1,2]=4 1516 B13R1.558 CCCSc1cc(ccc1O)OC 62a_100000210303_100000685887 [0,1,0,0,0,0|2,1,0]=4 1517 B13R1.558 CCCSc1cc(cnc1N)C=O 62a_100000210303_100010064899 [0,1,0,0,0,0|2,1,0]=4 1518 B13R1.558 CCCSc1cc(cnc1N)C=O 62a_100010064899_100000210303 [0,1,0,0,0,0|2,1,0]=4 1519 B13R1.558 CCCSc1cc(cnc1O)C=O 62a_100000210303_100010064886 [0,1,0,0,0,0|1,1,0]=3 1520 B13R1.558 CCCSc1cc(cnc1O)C=O 62a_100010064886_100000210303 [0,1,0,0,0,0|1,1,0]=3 1521 B13R1.558 CCCSc1cc(ncc1C)C=O 62a_100000210303_100010174032 [0,1,0,0,0,0|2,1,0]=4 1522 B13R1.558 CCCSc1cc(ncc1C)C=O 62a_100010174032_100000210303 [0,1,0,0,0,0|2,1,0]=4 1523 B13R1.558 CCNCc1cc(ccc1O)SC 62a_100000765307_200000210301 [0,1,0,0,0,0|3,0,0]=4 1524 B13R1.558 CCNCc1cc(ccc1O)SC 62a_200000210301_100000765307 [0,1,0,0,0,0|3,0,0]=4 1525 B13R1.558 CCNCc1cc(ccc1O)S[13CH3] 62a_100000765307_200025704644 [0,1,0,0,0,0|3,0,0]=4 1526 B13R1.558 CCNCc1cc(ccc1O)S[13CH3] 62a_200025704644_100000765307 [0,1,0,0,0,0|3,0,0]=4 1527 B13R1.558 CCOCc1cc(ccc1Br)C#N 34a_100010246249_100000210202 [0,1,0,0,0,0|2,0,1]=4 1528 B13R1.558 CCOCc1cc(ccc1Br)C#N 34a_100121572206_100012145668 [0,1,0,0,0,0|2,0,1]=4 1529 B13R1.558 CCOCc1cc(ccc1Br)C#N 7a_100010246249_100000210202 [0,1,0,0,0,0|2,0,1]=4 1530 B13R1.558 CCOCc1cc(ccc1Br)OC 34a_100121572206_100000761528 [0,1,0,0,0,0|3,0,0]=4 1531 B13R1.558 CCOCc1cc(ccc1Br)OC 34a_200011273942_100000210202 [0,1,0,0,0,0|3,0,0]=4 1532 B13R1.558 CCOCc1cc(ccc1Br)OC 7a_200011273942_100000210202 [0,1,0,0,0,0|3,0,0]=4 1533 B13R1.558 CCOCc1cc(ccc1C)C#N 34a_200009860882_100000210202 [0,1,0,0,0,0|2,0,1]=4 1534 B13R1.558 CCOCc1cc(ccc1C)C#N 7a_200009860882_100000210202 [0,1,0,0,0,0|2,0,1]=4 1535 B13R1.558 CCOCc1cc(ccc1C)OC 34a_100009841904_100000210202 [0,1,0,0,0,0|3,0,0]=4 1536 B13R1.558 CCOCc1cc(ccc1C)OC 7a_100009841904_100000210202 [0,1,0,0,0,0|3,0,0]=4 1537 B13R1.558 CCOCc1cc(ccc1Cl)OC 34a_100121572206_100000718613 [0,1,0,0,0,0|3,0,0]=4 1538 B13R1.558 CCOCc1cc(ccc1F)C#N 34a_100000757149_100000210202 [0,1,0,0,0,0|2,0,1]=4 1539 B13R1.558 CCOCc1cc(ccc1F)C#N 7a_100000757149_100000210202 [0,1,0,0,0,0|2,0,1]=4 1540 B13R1.558 CCOCc1cc(ccc1F)OC 34a_100000067870_100000210202 [0,1,0,0,0,0|3,0,0]=4 1541 B13R1.558 CCOCc1cc(ccc1F)OC 34a_100121572206_100010243555 [0,1,0,0,0,0|3,0,0]=4 1542 B13R1.558 CCOCc1cc(ccc1F)OC 7a_100000067870_100000210202 [0,1,0,0,0,0|3,0,0]=4 1543 B13R1.558 CCOCc1cc(ccc1N)OC 34a_100012001277_100000210202 [0,1,0,0,0,0|3,0,0]=4 1544 B13R1.558 CCc1ccc(c(c1)NCCF)O 34a_100000765835_100011217306 [0,1,0,0,0,0|2,0,1]=4 1545 B13R1.558 CCc1ccc(c(c1)NCCO)O 34a_100000765835_100000211926 [0,1,0,0,0,0|2,0,1]=4 1546 B13R1.558 CCc1ccc(c(c1)NCSC)O 34a_100000765835_100011218213 [0,1,0,0,0,0|2,0,1]=4 1547 B13R1.558 CCc1ccc(c(c1)OCCF)N 34a_100000124328_100011217306 [0,1,0,0,0,0|2,0,1]=4 1548 B13R1.558 CCc1ccc(c(c1)OCCF)N 7a_100000124328_100011217306 [0,1,0,0,0,0|2,0,1]=4 1549 B13R1.558 CCc1ccc(c(c1)OCCO)N 34a_100000124328_100000211926 [0,1,0,0,0,0|2,0,1]=4 1550 B13R1.558 CCc1ccc(c(c1)OCCO)N 7a_100000124328_100000211926 [0,1,0,0,0,0|2,0,1]=4 1551 B13R1.558 CCc1ccc(c(c1)OCSC)N 34a_100000124328_100011218213 [0,1,0,0,0,0|2,0,1]=4 1552 B13R1.558 CCc1ccc(c(c1)SCCF)O 62a_100011217306_100012339963 [0,1,0,0,0,0|1,1,1]=4 1553 B13R1.558 CCc1ccc(c(c1)SCCF)O 62a_100012339963_100011217306 [0,1,0,0,0,0|1,1,1]=4 1554 B13R1.558 CCc1ccc(c(c1)SCCO)O 62a_100000211926_100012339963 [0,1,0,0,0,0|1,1,1]=4 1555 B13R1.558 CCc1ccc(c(c1)SCCO)O 62a_100012339963_100000211926 [0,1,0,0,0,0|1,1,1]=4 1556 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100000766300_100012339963 [0,1,0,0,0,0|1,1,1]=4 1557 B13R1.558 CCc1ccc(c(c1)SCOC)O 62a_100012339963_100000766300 [0,1,0,0,0,0|1,1,1]=4 1558 B13R1.558 CCc1ccc(c(c1)SCSC)O 62a_100011218213_100012339963 [0,1,0,0,0,0|1,1,1]=4 1559 B13R1.558 CCc1ccc(c(c1)SCSC)O 62a_100012339963_100011218213 [0,1,0,0,0,0|1,1,1]=4 1560 B13R1.558 CNc1ccc(c(c1)OCCF)Cl 34a_200012813738_200000210301 [0,1,0,0,0,0|3,0,0]=4 1561 B13R1.558 CNc1ccc(c(c1)OCCF)Cl 7a_200012813738_200000210301 [0,1,0,0,0,0|3,0,0]=4 1562 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100000766300_100010146563 [0,1,0,0,0,0|1,1,0]=3 1563 B13R1.558 COCSc1cc(ccc1Br)C=O 62a_100010146563_100000766300 [0,1,0,0,0,0|1,1,0]=3 1564 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000695567_100000766300 [0,1,0,0,0,0|1,1,0]=3 1565 B13R1.558 COCSc1cc(ccc1C)C=O 62a_100000766300_100000695567 [0,1,0,0,0,0|1,1,0]=3 1566 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100000766300_100010209939 [0,1,0,0,0,0|1,1,0]=3 1567 B13R1.558 COCSc1cc(ccc1Cl)C=O 62a_100010209939_100000766300 [0,1,0,0,0,0|1,1,0]=3 1568 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000211747_100000766300 [0,1,0,0,0,0|1,1,0]=3 1569 B13R1.558 COCSc1cc(ccc1F)C=O 62a_100000766300_100000211747 [0,1,0,0,0,0|1,1,0]=3 1570 B13R1.558 COCSc1cc(ccc1O)C#N 62a_100000766300_100000725478 [0,1,0,0,0,0|1,1,1]=4 1571 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000184552_100000766300 [0,1,0,0,0,0|0,1,0]=2 1572 B13R1.558 COCSc1cc(ccc1O)C=O 62a_100000766300_100000184552 [0,1,0,0,0,0|0,1,0]=2 1573 B13R1.558 COCSc1cc(ccc1O)CO 62a_100000766300_100011191544 [0,1,0,0,0,0|0,1,2]=4 1574 B13R1.558 COCSc1cc(ccc1O)CO 62a_100011191544_100000766300 [0,1,0,0,0,0|0,1,2]=4 1575 B13R1.558 COCSc1cc(ccc1O)OC 62a_100000766300_100000685887 [0,1,0,0,0,0|2,1,0]=4 1576 B13R1.558 COCSc1cc(cnc1N)C=O 62a_100000766300_100010064899 [0,1,0,0,0,0|2,1,0]=4 1577 B13R1.558 COCSc1cc(cnc1N)C=O 62a_100010064899_100000766300 [0,1,0,0,0,0|2,1,0]=4 1578 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100000766300_100010064886 [0,1,0,0,0,0|1,1,0]=3 1579 B13R1.558 COCSc1cc(cnc1O)C=O 62a_100010064886_100000766300 [0,1,0,0,0,0|1,1,0]=3 1580 B13R1.558 COCSc1cc(ncc1C)C=O 62a_100000766300_100010174032 [0,1,0,0,0,0|2,1,0]=4 1581 B13R1.558 COCSc1cc(ncc1C)C=O 62a_100010174032_100000766300 [0,1,0,0,0,0|2,1,0]=4 1582 B13R1.558 COc1ccc(c(c1)NCCF)O 34a_100000188146_100011217306 [0,1,0,0,0,0|3,0,0]=4 1583 B13R1.558 COc1ccc(c(c1)NCCO)O 34a_100000188146_100000211926 [0,1,0,0,0,0|3,0,0]=4 1584 B13R1.558 COc1ccc(c(c1)NCSC)O 34a_100000188146_100011218213 [0,1,0,0,0,0|3,0,0]=4 1585 B13R1.558 COc1ccc(c(c1)OCCF)Br 34a_100000719091_100011217306 [0,1,0,0,0,0|3,0,0]=4 1586 B13R1.558 COc1ccc(c(c1)OCCF)Br 7a_100000719091_100011217306 [0,1,0,0,0,0|3,0,0]=4 1587 B13R1.558 COc1ccc(c(c1)OCCF)C 34a_100012179981_100011217306 [0,1,0,0,0,0|3,0,0]=4 1588 B13R1.558 COc1ccc(c(c1)OCCF)C 7a_100012179981_100011217306 [0,1,0,0,0,0|3,0,0]=4 1589 B13R1.558 COc1ccc(c(c1)OCCF)Cl 34a_100011516019_100011217306 [0,1,0,0,0,0|3,0,0]=4 1590 B13R1.558 COc1ccc(c(c1)OCCF)Cl 7a_100011516019_100011217306 [0,1,0,0,0,0|3,0,0]=4 1591 B13R1.558 COc1ccc(c(c1)OCCF)F 34a_100012178750_100011217306 [0,1,0,0,0,0|3,0,0]=4 1592 B13R1.558 COc1ccc(c(c1)OCCF)F 7a_100012178750_100011217306 [0,1,0,0,0,0|3,0,0]=4 1593 B13R1.558 COc1ccc(c(c1)OCCF)I 34a_100010168831_100011217306 [0,1,0,0,0,0|3,0,0]=4 1594 B13R1.558 COc1ccc(c(c1)OCCF)I 7a_100010168831_100011217306 [0,1,0,0,0,0|3,0,0]=4 1595 B13R1.558 COc1ccc(c(c1)OCCF)N 34a_100016989039_100011217306 [0,1,0,0,0,0|3,0,0]=4 1596 B13R1.558 COc1ccc(c(c1)OCCF)N 7a_100016989039_100011217306 [0,1,0,0,0,0|3,0,0]=4 1597 B13R1.558 COc1ccc(c(c1)OCCO)Br 34a_100000719091_100000211926 [0,1,0,0,0,0|3,0,0]=4 1598 B13R1.558 COc1ccc(c(c1)OCCO)Br 7a_100000719091_100000211926 [0,1,0,0,0,0|3,0,0]=4 1599 B13R1.558 COc1ccc(c(c1)OCCO)C 34a_100012179981_100000211926 [0,1,0,0,0,0|3,0,0]=4 1600 B13R1.558 COc1ccc(c(c1)OCCO)C 7a_100012179981_100000211926 [0,1,0,0,0,0|3,0,0]=4 1601 B13R1.558 COc1ccc(c(c1)OCCO)Cl 34a_100011516019_100000211926 [0,1,0,0,0,0|3,0,0]=4 1602 B13R1.558 COc1ccc(c(c1)OCCO)Cl 7a_100011516019_100000211926 [0,1,0,0,0,0|3,0,0]=4 1603 B13R1.558 COc1ccc(c(c1)OCCO)F 34a_100012178750_100000211926 [0,1,0,0,0,0|3,0,0]=4 1604 B13R1.558 COc1ccc(c(c1)OCCO)F 7a_100012178750_100000211926 [0,1,0,0,0,0|3,0,0]=4 1605 B13R1.558 COc1ccc(c(c1)OCCO)I 34a_100010168831_100000211926 [0,1,0,0,0,0|3,0,0]=4 1606 B13R1.558 COc1ccc(c(c1)OCCO)I 7a_100010168831_100000211926 [0,1,0,0,0,0|3,0,0]=4 1607 B13R1.558 COc1ccc(c(c1)OCCO)N 34a_100016989039_100000211926 [0,1,0,0,0,0|3,0,0]=4 1608 B13R1.558 COc1ccc(c(c1)OCCO)N 7a_100016989039_100000211926 [0,1,0,0,0,0|3,0,0]=4 1609 B13R1.558 COc1ccc(c(c1)OCSC)Br 34a_100000719091_100011218213 [0,1,0,0,0,0|3,0,0]=4 1610 B13R1.558 COc1ccc(c(c1)OCSC)C 34a_100012179981_100011218213 [0,1,0,0,0,0|3,0,0]=4 1611 B13R1.558 COc1ccc(c(c1)OCSC)Cl 34a_100011516019_100011218213 [0,1,0,0,0,0|3,0,0]=4 1612 B13R1.558 COc1ccc(c(c1)OCSC)F 34a_100012178750_100011218213 [0,1,0,0,0,0|3,0,0]=4 1613 B13R1.558 COc1ccc(c(c1)OCSC)I 34a_100010168831_100011218213 [0,1,0,0,0,0|3,0,0]=4 1614 B13R1.558 COc1ccc(c(c1)OCSC)N 34a_100016989039_100011218213 [0,1,0,0,0,0|3,0,0]=4 1615 B13R1.558 COc1ccc(c(c1)SCCF)O 62a_100011217306_100000685887 [0,1,0,0,0,0|2,1,0]=4 1616 B13R1.558 COc1ccc(c(c1)SCCO)O 62a_100000211926_100000685887 [0,1,0,0,0,0|2,1,0]=4 1617 B13R1.558 COc1ccc(c(c1)SCSC)O 62a_100011218213_100000685887 [0,1,0,0,0,0|2,1,0]=4 1618 B13R1.558 CSCNc1cc(ccc1O)C#N 34a_100000766272_100011218213 [0,1,0,0,0,0|2,0,1]=4 1619 B13R1.558 CSCNc1cc(ccc1O)CO 34a_100000123545_100011218213 [0,1,0,0,0,0|1,0,2]=4 1620 B13R1.558 CSCOc1cc(ccc1Br)C#N 34a_100009877741_100011218213 [0,1,0,0,0,0|2,0,1]=4 1621 B13R1.558 CSCOc1cc(ccc1Br)CO 34a_100010191536_100011218213 [0,1,0,0,0,0|1,0,2]=4 1622 B13R1.558 CSCOc1cc(ccc1C)C#N 34a_100000765541_100011218213 [0,1,0,0,0,0|2,0,1]=4 1623 B13R1.558 CSCOc1cc(ccc1Cl)C#N 34a_100012186312_100011218213 [0,1,0,0,0,0|2,0,1]=4 1624 B13R1.558 CSCOc1cc(ccc1Cl)CN 34a_100020636435_100011218213 [0,1,0,0,0,0|2,0,1]=4 1625 B13R1.558 CSCOc1cc(ccc1Cl)CO 34a_100009876509_100011218213 [0,1,0,0,0,0|1,0,2]=4 1626 B13R1.558 CSCOc1cc(ccc1F)C#N 34a_100000069402_100011218213 [0,1,0,0,0,0|2,0,1]=4 1627 B13R1.558 CSCOc1cc(ccc1F)CN 34a_100160469508_100011218213 [0,1,0,0,0,0|2,0,1]=4 1628 B13R1.558 CSCOc1cc(ccc1F)CO 34a_100009842347_100011218213 [0,1,0,0,0,0|1,0,2]=4 1629 B13R1.558 CSCOc1cc(ccc1I)C#N 34a_100000724445_100011218213 [0,1,0,0,0,0|2,0,1]=4 1630 B13R1.558 CSCOc1cc(ccc1I)CO 34a_100000049605_100011218213 [0,1,0,0,0,0|1,0,2]=4 1631 B13R1.558 CSCOc1cc(ccc1N)C#N 34a_100011997735_100011218213 [0,1,0,0,0,0|2,0,1]=4 1632 B13R1.558 CSCSc1cc(ccc1Br)C=O 62a_100010146563_100011218213 [0,1,0,0,0,0|1,1,0]=3 1633 B13R1.558 CSCSc1cc(ccc1Br)C=O 62a_100011218213_100010146563 [0,1,0,0,0,0|1,1,0]=3 1634 B13R1.558 CSCSc1cc(ccc1C)C=O 62a_100000695567_100011218213 [0,1,0,0,0,0|1,1,0]=3 1635 B13R1.558 CSCSc1cc(ccc1C)C=O 62a_100011218213_100000695567 [0,1,0,0,0,0|1,1,0]=3 1636 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100010209939_100011218213 [0,1,0,0,0,0|1,1,0]=3 1637 B13R1.558 CSCSc1cc(ccc1Cl)C=O 62a_100011218213_100010209939 [0,1,0,0,0,0|1,1,0]=3 1638 B13R1.558 CSCSc1cc(ccc1F)C=O 62a_100000211747_100011218213 [0,1,0,0,0,0|1,1,0]=3 1639 B13R1.558 CSCSc1cc(ccc1F)C=O 62a_100011218213_100000211747 [0,1,0,0,0,0|1,1,0]=3 1640 B13R1.558 CSCSc1cc(ccc1O)C#N 62a_100011218213_100000725478 [0,1,0,0,0,0|1,1,1]=4 1641 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100000184552_100011218213 [0,1,0,0,0,0|0,1,0]=2 1642 B13R1.558 CSCSc1cc(ccc1O)C=O 62a_100011218213_100000184552 [0,1,0,0,0,0|0,1,0]=2 1643 B13R1.558 CSCSc1cc(ccc1O)CO 62a_100011191544_100011218213 [0,1,0,0,0,0|0,1,2]=4 1644 B13R1.558 CSCSc1cc(ccc1O)CO 62a_100011218213_100011191544 [0,1,0,0,0,0|0,1,2]=4 1645 B13R1.558 CSCSc1cc(cnc1N)C=O 62a_100010064899_100011218213 [0,1,0,0,0,0|2,1,0]=4 1646 B13R1.558 CSCSc1cc(cnc1N)C=O 62a_100011218213_100010064899 [0,1,0,0,0,0|2,1,0]=4 1647 B13R1.558 CSCSc1cc(cnc1O)C=O 62a_100010064886_100011218213 [0,1,0,0,0,0|1,1,0]=3 1648 B13R1.558 CSCSc1cc(cnc1O)C=O 62a_100011218213_100010064886 [0,1,0,0,0,0|1,1,0]=3 1649 B13R1.558 CSCSc1cc(ncc1C)C=O 62a_100010174032_100011218213 [0,1,0,0,0,0|2,1,0]=4 1650 B13R1.558 CSCSc1cc(ncc1C)C=O 62a_100011218213_100010174032 [0,1,0,0,0,0|2,1,0]=4 1651 B13R1.558 Cc1ccc(cc1OCCF)C#N 34a_100000765541_100011217306 [0,1,0,0,0,0|2,0,1]=4 1652 B13R1.558 Cc1ccc(cc1OCCF)C#N 7a_100000765541_100011217306 [0,1,0,0,0,0|2,0,1]=4 1653 B13R1.558 Cc1ccc(cc1OCCO)C#N 34a_100000765541_100000211926 [0,1,0,0,0,0|2,0,1]=4 1654 B13R1.558 Cc1ccc(cc1OCCO)C#N 7a_100000765541_100000211926 [0,1,0,0,0,0|2,0,1]=4 1655 B13R1.558 Cc1ccc(cc1SCC#N)C=O 62a_100000695567_100011215382 [0,1,0,0,0,0|1,1,1]=4 1656 B13R1.558 Cc1ccc(cc1SCC#N)C=O 62a_100011215382_100000695567 [0,1,0,0,0,0|1,1,1]=4 1657 B13R1.558 Cc1ccc(cc1SCC=O)C=O 62a_100000695567_200015260668 [0,1,0,0,0,0|1,1,1]=4 1658 B13R1.558 Cc1ccc(cc1SCC=O)C=O 62a_200015260668_100000695567 [0,1,0,0,0,0|1,1,1]=4 1659 B13R1.558 Cc1ccc(cc1SCCF)C=O 62a_100000695567_100011217306 [0,1,0,0,0,0|1,1,0]=3 1660 B13R1.558 Cc1ccc(cc1SCCF)C=O 62a_100011217306_100000695567 [0,1,0,0,0,0|1,1,0]=3 1661 B13R1.558 Cc1ccc(cc1SCCO)C=O 62a_100000211926_100000695567 [0,1,0,0,0,0|1,1,0]=3 1662 B13R1.558 Cc1ccc(cc1SCCO)C=O 62a_100000695567_100000211926 [0,1,0,0,0,0|1,1,0]=3 1663 B13R1.558 Cc1cnc(cc1SCCF)C=O 62a_100010174032_100011217306 [0,1,0,0,0,0|2,1,0]=4 1664 B13R1.558 Cc1cnc(cc1SCCF)C=O 62a_100011217306_100010174032 [0,1,0,0,0,0|2,1,0]=4 1665 B13R1.558 Cc1cnc(cc1SCCO)C=O 62a_100000211926_100010174032 [0,1,0,0,0,0|2,1,0]=4 1666 B13R1.558 Cc1cnc(cc1SCCO)C=O 62a_100010174032_100000211926 [0,1,0,0,0,0|2,1,0]=4 1667 B13R1.558 N#CCSc1cc(ccc1Br)C=O 62a_100010146563_100011215382 [0,1,0,0,0,0|1,1,1]=4 1668 B13R1.558 N#CCSc1cc(ccc1Br)C=O 62a_100011215382_100010146563 [0,1,0,0,0,0|1,1,1]=4 1669 B13R1.558 N#CCSc1cc(ccc1Cl)C=O 62a_100010209939_100011215382 [0,1,0,0,0,0|1,1,1]=4 1670 B13R1.558 N#CCSc1cc(ccc1Cl)C=O 62a_100011215382_100010209939 [0,1,0,0,0,0|1,1,1]=4 1671 B13R1.558 N#CCSc1cc(ccc1F)C=O 62a_100000211747_100011215382 [0,1,0,0,0,0|1,1,1]=4 1672 B13R1.558 N#CCSc1cc(ccc1F)C=O 62a_100011215382_100000211747 [0,1,0,0,0,0|1,1,1]=4 1673 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100000184552_100011215382 [0,1,0,0,0,0|0,1,1]=3 1674 B13R1.558 N#CCSc1cc(ccc1O)C=O 62a_100011215382_100000184552 [0,1,0,0,0,0|0,1,1]=3 1675 B13R1.558 N#CCSc1cc(cnc1O)C=O 62a_100010064886_100011215382 [0,1,0,0,0,0|1,1,1]=4 1676 B13R1.558 N#CCSc1cc(cnc1O)C=O 62a_100011215382_100010064886 [0,1,0,0,0,0|1,1,1]=4 1677 B13R1.558 N#Cc1ccc(c(c1)NCCF)O 34a_100000766272_100011217306 [0,1,0,0,0,0|2,0,1]=4 1678 B13R1.558 N#Cc1ccc(c(c1)NCCF)O 7a_100000766272_100011217306 [0,1,0,0,0,0|2,0,1]=4 1679 B13R1.558 N#Cc1ccc(c(c1)NCCO)O 34a_100000766272_100000211926 [0,1,0,0,0,0|2,0,1]=4 1680 B13R1.558 N#Cc1ccc(c(c1)NCCO)O 7a_100000766272_100000211926 [0,1,0,0,0,0|2,0,1]=4 1681 B13R1.558 N#Cc1ccc(c(c1)OCCF)Br 34a_100009877741_100011217306 [0,1,0,0,0,0|2,0,1]=4 1682 B13R1.558 N#Cc1ccc(c(c1)OCCF)Br 7a_100009877741_100011217306 [0,1,0,0,0,0|2,0,1]=4 1683 B13R1.558 N#Cc1ccc(c(c1)OCCF)Cl 34a_100012186312_100011217306 [0,1,0,0,0,0|2,0,1]=4 1684 B13R1.558 N#Cc1ccc(c(c1)OCCF)Cl 7a_100012186312_100011217306 [0,1,0,0,0,0|2,0,1]=4 1685 B13R1.558 N#Cc1ccc(c(c1)OCCF)F 34a_100000069402_100011217306 [0,1,0,0,0,0|2,0,1]=4 1686 B13R1.558 N#Cc1ccc(c(c1)OCCF)F 7a_100000069402_100011217306 [0,1,0,0,0,0|2,0,1]=4 1687 B13R1.558 N#Cc1ccc(c(c1)OCCF)I 34a_100000724445_100011217306 [0,1,0,0,0,0|2,0,1]=4 1688 B13R1.558 N#Cc1ccc(c(c1)OCCF)I 7a_100000724445_100011217306 [0,1,0,0,0,0|2,0,1]=4 1689 B13R1.558 N#Cc1ccc(c(c1)OCCF)N 34a_100011997735_100011217306 [0,1,0,0,0,0|2,0,1]=4 1690 B13R1.558 N#Cc1ccc(c(c1)OCCF)N 7a_100011997735_100011217306 [0,1,0,0,0,0|2,0,1]=4 1691 B13R1.558 N#Cc1ccc(c(c1)OCCO)Br 34a_100009877741_100000211926 [0,1,0,0,0,0|2,0,1]=4 1692 B13R1.558 N#Cc1ccc(c(c1)OCCO)Br 7a_100009877741_100000211926 [0,1,0,0,0,0|2,0,1]=4 1693 B13R1.558 N#Cc1ccc(c(c1)OCCO)Cl 34a_100012186312_100000211926 [0,1,0,0,0,0|2,0,1]=4 1694 B13R1.558 N#Cc1ccc(c(c1)OCCO)Cl 7a_100012186312_100000211926 [0,1,0,0,0,0|2,0,1]=4 1695 B13R1.558 N#Cc1ccc(c(c1)OCCO)F 34a_100000069402_100000211926 [0,1,0,0,0,0|2,0,1]=4 1696 B13R1.558 N#Cc1ccc(c(c1)OCCO)F 7a_100000069402_100000211926 [0,1,0,0,0,0|2,0,1]=4 1697 B13R1.558 N#Cc1ccc(c(c1)OCCO)I 34a_100000724445_100000211926 [0,1,0,0,0,0|2,0,1]=4 1698 B13R1.558 N#Cc1ccc(c(c1)OCCO)I 7a_100000724445_100000211926 [0,1,0,0,0,0|2,0,1]=4 1699 B13R1.558 N#Cc1ccc(c(c1)OCCO)N 34a_100011997735_100000211926 [0,1,0,0,0,0|2,0,1]=4 1700 B13R1.558 N#Cc1ccc(c(c1)OCCO)N 7a_100011997735_100000211926 [0,1,0,0,0,0|2,0,1]=4 1701 B13R1.558 N#Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000725478 [0,1,0,0,0,0|1,1,1]=4 1702 B13R1.558 N#Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000725478 [0,1,0,0,0,0|1,1,1]=4 1703 B13R1.558 NCc1ccc(c(c1)OCCF)Cl 34a_100020636435_100011217306 [0,1,0,0,0,0|2,0,1]=4 1704 B13R1.558 NCc1ccc(c(c1)OCCF)F 34a_100160469508_100011217306 [0,1,0,0,0,0|2,0,1]=4 1705 B13R1.558 NCc1ccc(c(c1)OCCO)Cl 34a_100020636435_100000211926 [0,1,0,0,0,0|2,0,1]=4 1706 B13R1.558 NCc1ccc(c(c1)OCCO)F 34a_100160469508_100000211926 [0,1,0,0,0,0|2,0,1]=4 1707 B13R1.558 Nc1ncc(cc1SCCF)C=O 62a_100010064899_100011217306 [0,1,0,0,0,0|2,1,0]=4 1708 B13R1.558 Nc1ncc(cc1SCCF)C=O 62a_100011217306_100010064899 [0,1,0,0,0,0|2,1,0]=4 1709 B13R1.558 Nc1ncc(cc1SCCO)C=O 62a_100000211926_100010064899 [0,1,0,0,0,0|2,1,0]=4 1710 B13R1.558 Nc1ncc(cc1SCCO)C=O 62a_100010064899_100000211926 [0,1,0,0,0,0|2,1,0]=4 1711 B13R1.558 O=CCSc1cc(ccc1Br)C=O 62a_100010146563_200015260668 [0,1,0,0,0,0|1,1,1]=4 1712 B13R1.558 O=CCSc1cc(ccc1Br)C=O 62a_200015260668_100010146563 [0,1,0,0,0,0|1,1,1]=4 1713 B13R1.558 O=CCSc1cc(ccc1Cl)C=O 62a_100010209939_200015260668 [0,1,0,0,0,0|1,1,1]=4 1714 B13R1.558 O=CCSc1cc(ccc1Cl)C=O 62a_200015260668_100010209939 [0,1,0,0,0,0|1,1,1]=4 1715 B13R1.558 O=CCSc1cc(ccc1F)C=O 62a_100000211747_200015260668 [0,1,0,0,0,0|1,1,1]=4 1716 B13R1.558 O=CCSc1cc(ccc1F)C=O 62a_200015260668_100000211747 [0,1,0,0,0,0|1,1,1]=4 1717 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_100000184552_200015260668 [0,1,0,0,0,0|0,1,1]=3 1718 B13R1.558 O=CCSc1cc(ccc1O)C=O 62a_200015260668_100000184552 [0,1,0,0,0,0|0,1,1]=3 1719 B13R1.558 O=CCSc1cc(cnc1O)C=O 62a_100010064886_200015260668 [0,1,0,0,0,0|1,1,1]=4 1720 B13R1.558 O=CCSc1cc(cnc1O)C=O 62a_200015260668_100010064886 [0,1,0,0,0,0|1,1,1]=4 1721 B13R1.558 O=Cc1ccc(c(c1)SCCF)Br 62a_100010146563_100011217306 [0,1,0,0,0,0|1,1,0]=3 1722 B13R1.558 O=Cc1ccc(c(c1)SCCF)Br 62a_100011217306_100010146563 [0,1,0,0,0,0|1,1,0]=3 1723 B13R1.558 O=Cc1ccc(c(c1)SCCF)Cl 62a_100010209939_100011217306 [0,1,0,0,0,0|1,1,0]=3 1724 B13R1.558 O=Cc1ccc(c(c1)SCCF)Cl 62a_100011217306_100010209939 [0,1,0,0,0,0|1,1,0]=3 1725 B13R1.558 O=Cc1ccc(c(c1)SCCF)F 62a_100000211747_100011217306 [0,1,0,0,0,0|1,1,0]=3 1726 B13R1.558 O=Cc1ccc(c(c1)SCCF)F 62a_100011217306_100000211747 [0,1,0,0,0,0|1,1,0]=3 1727 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100000184552_100011217306 [0,1,0,0,0,0|0,1,0]=2 1728 B13R1.558 O=Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000184552 [0,1,0,0,0,0|0,1,0]=2 1729 B13R1.558 O=Cc1ccc(c(c1)SCCO)Br 62a_100000211926_100010146563 [0,1,0,0,0,0|1,1,0]=3 1730 B13R1.558 O=Cc1ccc(c(c1)SCCO)Br 62a_100010146563_100000211926 [0,1,0,0,0,0|1,1,0]=3 1731 B13R1.558 O=Cc1ccc(c(c1)SCCO)Cl 62a_100000211926_100010209939 [0,1,0,0,0,0|1,1,0]=3 1732 B13R1.558 O=Cc1ccc(c(c1)SCCO)Cl 62a_100010209939_100000211926 [0,1,0,0,0,0|1,1,0]=3 1733 B13R1.558 O=Cc1ccc(c(c1)SCCO)F 62a_100000211747_100000211926 [0,1,0,0,0,0|1,1,0]=3 1734 B13R1.558 O=Cc1ccc(c(c1)SCCO)F 62a_100000211926_100000211747 [0,1,0,0,0,0|1,1,0]=3 1735 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000184552_100000211926 [0,1,0,0,0,0|0,1,0]=2 1736 B13R1.558 O=Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000184552 [0,1,0,0,0,0|0,1,0]=2 1737 B13R1.558 O=Cc1cnc(c(c1)SCCF)O 62a_100010064886_100011217306 [0,1,0,0,0,0|1,1,0]=3 1738 B13R1.558 O=Cc1cnc(c(c1)SCCF)O 62a_100011217306_100010064886 [0,1,0,0,0,0|1,1,0]=3 1739 B13R1.558 O=Cc1cnc(c(c1)SCCO)O 62a_100000211926_100010064886 [0,1,0,0,0,0|1,1,0]=3 1740 B13R1.558 O=Cc1cnc(c(c1)SCCO)O 62a_100010064886_100000211926 [0,1,0,0,0,0|1,1,0]=3 1741 B13R1.558 OCCNc1cc(ccc1O)CO 34a_100000123545_100000211926 [0,1,0,0,0,0|1,0,2]=4 1742 B13R1.558 OCCOc1cc(ccc1Br)CO 34a_100010191536_100000211926 [0,1,0,0,0,0|1,0,2]=4 1743 B13R1.558 OCCOc1cc(ccc1Br)CO 7a_100010191536_100000211926 [0,1,0,0,0,0|1,0,2]=4 1744 B13R1.558 OCCOc1cc(ccc1Cl)CO 34a_100009876509_100000211926 [0,1,0,0,0,0|1,0,2]=4 1745 B13R1.558 OCCOc1cc(ccc1Cl)CO 7a_100009876509_100000211926 [0,1,0,0,0,0|1,0,2]=4 1746 B13R1.558 OCCOc1cc(ccc1F)CO 34a_100009842347_100000211926 [0,1,0,0,0,0|1,0,2]=4 1747 B13R1.558 OCCOc1cc(ccc1F)CO 7a_100009842347_100000211926 [0,1,0,0,0,0|1,0,2]=4 1748 B13R1.558 OCCOc1cc(ccc1I)CO 34a_100000049605_100000211926 [0,1,0,0,0,0|1,0,2]=4 1749 B13R1.558 OCCOc1cc(ccc1I)CO 7a_100000049605_100000211926 [0,1,0,0,0,0|1,0,2]=4 1750 B13R1.558 OCCSc1cc(ccc1O)CO 62a_100000211926_100011191544 [0,1,0,0,0,0|0,1,2]=4 1751 B13R1.558 OCCSc1cc(ccc1O)CO 62a_100011191544_100000211926 [0,1,0,0,0,0|0,1,2]=4 1752 B13R1.558 OCc1ccc(c(c1)NCCF)O 34a_100000123545_100011217306 [0,1,0,0,0,0|1,0,2]=4 1753 B13R1.558 OCc1ccc(c(c1)OCCF)Br 34a_100010191536_100011217306 [0,1,0,0,0,0|1,0,2]=4 1754 B13R1.558 OCc1ccc(c(c1)OCCF)Br 7a_100010191536_100011217306 [0,1,0,0,0,0|1,0,2]=4 1755 B13R1.558 OCc1ccc(c(c1)OCCF)Cl 34a_100009876509_100011217306 [0,1,0,0,0,0|1,0,2]=4 1756 B13R1.558 OCc1ccc(c(c1)OCCF)Cl 7a_100009876509_100011217306 [0,1,0,0,0,0|1,0,2]=4 1757 B13R1.558 OCc1ccc(c(c1)OCCF)F 34a_100009842347_100011217306 [0,1,0,0,0,0|1,0,2]=4 1758 B13R1.558 OCc1ccc(c(c1)OCCF)F 7a_100009842347_100011217306 [0,1,0,0,0,0|1,0,2]=4 1759 B13R1.558 OCc1ccc(c(c1)OCCF)I 34a_100000049605_100011217306 [0,1,0,0,0,0|1,0,2]=4 1760 B13R1.558 OCc1ccc(c(c1)OCCF)I 7a_100000049605_100011217306 [0,1,0,0,0,0|1,0,2]=4 1761 B13R1.558 OCc1ccc(c(c1)SCCF)O 62a_100011191544_100011217306 [0,1,0,0,0,0|0,1,2]=4 1762 B13R1.558 OCc1ccc(c(c1)SCCF)O 62a_100011217306_100011191544 [0,1,0,0,0,0|0,1,2]=4 1763 B13R1.558 [13CH3]Nc1ccc(c(c1)OCCF)Cl 34a_200012813738_200025704644 [0,1,0,0,0,0|3,0,0]=4 1764 B13R1.558 [13CH3]Nc1ccc(c(c1)OCCF)Cl 7a_200012813738_200025704644 [0,1,0,0,0,0|3,0,0]=4 1765 B13R1.2431 C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100011290941_100000183607 [0,1,0,0,0,0|2,0,0]=3 1766 B13R1.2431 C=Cc1ccc(c(c1)C(=O)OC)O 271570a_100011290941_100000149868 [0,1,0,0,0,0|3,0,0]=4 1767 B13R1.2431 CCC(=O)c1cc(ccc1O)C#N 1458a_100000719980_100000210202 [0,1,0,0,0,0|2,0,1]=4 1768 B13R1.2431 CCC(=O)c1cc(ccc1O)CC 1458a_200000748397_100000210202 [0,1,0,0,0,0|2,0,1]=4 1769 B13R1.2431 CCC(=O)c1cc(ccc1O)CO 1458a_200000045694_100000210202 [0,1,0,0,0,0|1,0,2]=4 1770 B13R1.2431 CCC(=O)c1cc(ccc1O)OC 1458a_100000211986_100000210202 [0,1,0,0,0,0|3,0,0]=4 1771 B13R1.2431 COC(=O)c1cc(ccc1O)C=O 271570a_203496583355_100013328361 [0,1,0,0,0,0|2,0,0]=3 1772 B13R1.2900 C=C=Cc1cc(c(cc1O)O)C=O 271570a_100015277604_200010132312 [0,1,0,0,0,0|1,0,2]=4 1773 B13R1.2900 C=Cc1cc(c(cc1F)F)SCC 62a_100000210202_100016015529 [0,1,0,0,0,0|2,1,0]=4 1774 B13R1.2900 C=Cc1cc(c(cc1F)F)SCC 62a_100016015529_100000210202 [0,1,0,0,0,0|2,1,0]=4 1775 B13R1.2900 CC=Cc1cc(c(cc1C)F)C=O 271570a_100016259895_100010138641 [0,1,0,0,0,0|2,0,1]=4 1776 B13R1.2900 CC=Cc1cc(c(cc1F)F)C=O 271570a_100016259895_100009814802 [0,1,0,0,0,0|2,0,1]=4 1777 B13R1.2900 CC=Cc1cc(c(cc1F)N)C=O 271570a_100016259895_200010571964 [0,1,0,0,0,0|2,0,1]=4 1778 B13R1.2900 CC=Cc1cc(c(cc1F)O)C=O 271570a_100016259895_100010175118 [0,1,0,0,0,0|2,0,1]=4 1779 B13R1.2900 CC=Cc1cc(c(cc1O)O)C=O 271570a_100016259895_200010132312 [0,1,0,0,0,0|1,0,1]=3 1780 B13R1.2900 CCOc1cc(c(cc1F)Br)CC 34a_100011156610_100000210202 [0,1,0,0,0,0|2,0,1]=4 1781 B13R1.2900 CCOc1cc(c(cc1F)Br)CC 7a_100011156610_100000210202 [0,1,0,0,0,0|2,0,1]=4 1782 B13R1.2900 CCOc1cc(c(cc1F)F)C#N 34a_100015806265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1783 B13R1.2900 CCOc1cc(c(cc1F)F)C#N 7a_100015806265_100000210202 [0,1,0,0,0,0|2,0,1]=4 1784 B13R1.2900 CCOc1cc(c(cc1O)O)C#N 271570a_203496583355_100009814618 [0,1,0,0,0,0|1,0,1]=3 1785 B13R1.2900 CCOc1cc(c(cc1O)O)C=O 271570a_203496583355_100009812231 [0,1,0,0,0,0|0,0,0]=1 1786 B13R1.2900 CCSc1cc(c(cc1C)F)C=O 62a_100000210202_100010138641 [0,1,0,0,0,0|1,1,0]=3 1787 B13R1.2900 CCSc1cc(c(cc1C)F)C=O 62a_100010138641_100000210202 [0,1,0,0,0,0|1,1,0]=3 1788 B13R1.2900 CCSc1cc(c(cc1F)F)C=O 62a_100000210202_100009814802 [0,1,0,0,0,0|1,1,0]=3 1789 B13R1.2900 CCSc1cc(c(cc1F)F)C=O 62a_100009814802_100000210202 [0,1,0,0,0,0|1,1,0]=3 1790 B13R1.2900 CCSc1cc(c(cc1F)N)C=O 62a_100000210202_200010571964 [0,1,0,0,0,0|1,1,0]=3 1791 B13R1.2900 CCSc1cc(c(cc1F)N)C=O 62a_200010571964_100000210202 [0,1,0,0,0,0|1,1,0]=3 1792 B13R1.2900 CCSc1cc(c(cc1F)O)C=O 62a_100000210202_100010175118 [0,1,0,0,0,0|1,1,0]=3 1793 B13R1.2900 CCSc1cc(c(cc1F)O)C=O 62a_100010175118_100000210202 [0,1,0,0,0,0|1,1,0]=3 1794 B13R1.2900 CCSc1cc(c(cc1O)F)C#N 62a_100000210202_100011015635 [0,1,0,0,0,0|1,1,1]=4 1795 B13R1.2900 CCSc1cc(c(cc1O)O)C=O 62a_100000210202_200010132312 [0,1,0,0,0,0|0,1,0]=2 1796 B13R1.2900 Cc1cc(c(cc1SCF)C=O)F 62a_100010138641_100015361967 [0,1,0,0,0,0|2,1,0]=4 1797 B13R1.2900 Cc1cc(c(cc1SCF)C=O)F 62a_100015361967_100010138641 [0,1,0,0,0,0|2,1,0]=4 1798 B13R1.2900 Nc1cc(c(cc1C=O)SCF)F 62a_100015361967_200010571964 [0,1,0,0,0,0|2,1,0]=4 1799 B13R1.2900 Nc1cc(c(cc1C=O)SCF)F 62a_200010571964_100015361967 [0,1,0,0,0,0|2,1,0]=4 1800 B13R1.2900 O=Cc1cc(c(cc1F)F)SCF 62a_100009814802_100015361967 [0,1,0,0,0,0|2,1,0]=4 1801 B13R1.2900 O=Cc1cc(c(cc1F)F)SCF 62a_100015361967_100009814802 [0,1,0,0,0,0|2,1,0]=4 1802 B13R1.2900 O=Cc1cc(c(cc1O)F)SCF 62a_100010175118_100015361967 [0,1,0,0,0,0|2,1,0]=4 1803 B13R1.2900 O=Cc1cc(c(cc1O)F)SCF 62a_100015361967_100010175118 [0,1,0,0,0,0|2,1,0]=4 1804 B13R1.2900 O=Cc1cc(c(cc1O)O)SCF 62a_100015361967_200010132312 [0,1,0,0,0,0|1,1,0]=3 1805 B13R1.3981 C=C=Cc1cc(cc(c1O)F)C=O 271570a_100015277604_100010295671 [0,1,0,0,0,0|1,0,2]=4 1806 B13R1.3981 C=Cc1cc(c(c(c1)OCC)F)F 271570a_100011290941_200012359421 [0,1,0,0,0,0|2,0,0]=3 1807 B13R1.3981 CC=Cc1cc(cc(c1C)F)C=O 271570a_100016259895_100010132949 [0,1,0,0,0,0|2,0,1]=4 1808 B13R1.3981 CC=Cc1cc(cc(c1F)Br)C=O 271570a_100016259895_100010270029 [0,1,0,0,0,0|2,0,1]=4 1809 B13R1.3981 CC=Cc1cc(cc(c1F)F)C=O 271570a_100016259895_200010341283 [0,1,0,0,0,0|2,0,1]=4 1810 B13R1.3981 CC=Cc1cc(cc(c1O)F)C=O 271570a_100016259895_100010295671 [0,1,0,0,0,0|1,0,1]=3 1811 B13R1.3981 CCNc1cc(cc(c1O)Br)OC 34a_200010008348_100000210202 [0,1,0,0,0,0|3,0,0]=4 1812 B13R1.3981 CCOc1cc(cc(c1F)F)SC 62a_200000210301_200012359421 [0,1,0,0,0,0|3,0,0]=4 1813 B13R1.3981 CCOc1cc(cc(c1F)F)SC 62a_200012359421_200000210301 [0,1,0,0,0,0|3,0,0]=4 1814 B13R1.3981 CCOc1cc(cc(c1F)F)S[13CH3] 62a_200012359421_200025704644 [0,1,0,0,0,0|3,0,0]=4 1815 B13R1.3981 CCOc1cc(cc(c1F)F)S[13CH3] 62a_200025704644_200012359421 [0,1,0,0,0,0|3,0,0]=4 1816 B13R1.3981 CCOc1cc(cc(c1O)O)C#N 271570a_203496583355_100000684219 [0,1,0,0,0,0|1,0,1]=3 1817 B13R1.3981 CCOc1cc(cc(c1O)O)C=O 271570a_203496583355_100000183328 [0,1,0,0,0,0|0,0,0]=1 1818 B13R1.3981 CCSc1cc(cc(c1C)F)C=O 62a_100000210202_100010132949 [0,1,0,0,0,0|1,1,0]=3 1819 B13R1.3981 CCSc1cc(cc(c1C)F)C=O 62a_100010132949_100000210202 [0,1,0,0,0,0|1,1,0]=3 1820 B13R1.3981 CCSc1cc(cc(c1F)Br)C=O 62a_100000210202_100010270029 [0,1,0,0,0,0|1,1,0]=3 1821 B13R1.3981 CCSc1cc(cc(c1F)Br)C=O 62a_100010270029_100000210202 [0,1,0,0,0,0|1,1,0]=3 1822 B13R1.3981 CCSc1cc(cc(c1F)F)C=O 62a_100000210202_200010341283 [0,1,0,0,0,0|1,1,0]=3 1823 B13R1.3981 CCSc1cc(cc(c1F)F)C=O 62a_200010341283_100000210202 [0,1,0,0,0,0|1,1,0]=3 1824 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100000210202_100010295671 [0,1,0,0,0,0|0,1,0]=2 1825 B13R1.3981 CCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000210202 [0,1,0,0,0,0|0,1,0]=2 1826 B13R1.3981 CCSc1cc(cc(c1O)N)OC 62a_100000210202_200010008348 [0,1,0,0,0,0|2,1,0]=4 1827 B13R1.3981 CCSc1cc(cc(c1O)O)C#N 62a_100000210202_100010672013 [0,1,0,0,0,0|1,1,1]=4 1828 B13R1.3981 CCSc1cc(cc(c1O)O)C=O 62a_100000210202_100000687232 [0,1,0,0,0,0|0,1,0]=2 1829 B13R1.3981 Cc1c(cc(cc1SCF)C=O)F 62a_100010132949_100015361967 [0,1,0,0,0,0|2,1,0]=4 1830 B13R1.3981 Cc1c(cc(cc1SCF)C=O)F 62a_100015361967_100010132949 [0,1,0,0,0,0|2,1,0]=4 1831 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)Br 62a_100010270029_100015361967 [0,1,0,0,0,0|2,1,0]=4 1832 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)Br 62a_100015361967_100010270029 [0,1,0,0,0,0|2,1,0]=4 1833 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)F 62a_100015361967_200010341283 [0,1,0,0,0,0|2,1,0]=4 1834 B13R1.3981 O=Cc1cc(c(c(c1)SCF)F)F 62a_200010341283_100015361967 [0,1,0,0,0,0|2,1,0]=4 1835 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100010295671_100015361967 [0,1,0,0,0,0|1,1,0]=3 1836 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)F 62a_100015361967_100010295671 [0,1,0,0,0,0|1,1,0]=3 1837 B13R1.3981 O=Cc1cc(c(c(c1)SCF)O)O 62a_100015361967_100000687232 [0,1,0,0,0,0|1,1,0]=3 1838 B13R1.4021 CC=Cc1c(ccc(c1F)C=O)F 271570a_100016259895_100000050342 [0,1,0,0,0,0|2,0,1]=4 1839 B13R1.4021 CCOc1c(ccc(c1Br)OC)Cl 34a_200020794976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1840 B13R1.4021 CCOc1c(ccc(c1Br)OC)Cl 7a_200020794976_100000210202 [0,1,0,0,0,0|3,0,0]=4 1841 B13R1.4021 CCOc1c(ccc(c1Cl)OC)F 34a_200000061507_100000210202 [0,1,0,0,0,0|3,0,0]=4 1842 B13R1.4021 CCOc1c(ccc(c1Cl)OC)F 7a_200000061507_100000210202 [0,1,0,0,0,0|3,0,0]=4 1843 B13R1.4021 CCOc1c(ccc(c1F)NC)F 34a_100000061556_200000210301 [0,1,0,0,0,0|3,0,0]=4 1844 B13R1.4021 CCOc1c(ccc(c1F)N[13CH3])F 34a_100000061556_200025704644 [0,1,0,0,0,0|3,0,0]=4 1845 B13R1.4021 CCOc1c(ccc(c1F)OC)F 34a_100000062056_100000210202 [0,1,0,0,0,0|3,0,0]=4 1846 B13R1.4021 CCOc1c(ccc(c1F)OC)F 7a_100000062056_100000210202 [0,1,0,0,0,0|3,0,0]=4 1847 B13R1.4021 CCSc1c(ccc(c1F)C=O)C 62a_100000210202_100010381662 [0,1,0,0,0,0|1,1,0]=3 1848 B13R1.4021 CCSc1c(ccc(c1F)C=O)C 62a_100010381662_100000210202 [0,1,0,0,0,0|1,1,0]=3 1849 B13R1.4021 CCSc1c(ccc(c1F)C=O)F 62a_100000050342_100000210202 [0,1,0,0,0,0|1,1,0]=3 1850 B13R1.4021 CCSc1c(ccc(c1F)C=O)F 62a_100000210202_100000050342 [0,1,0,0,0,0|1,1,0]=3 1851 B13R1.4021 Cc1ccc(c(c1SCF)F)C=O 62a_100010381662_100015361967 [0,1,0,0,0,0|2,1,0]=4 1852 B13R1.4021 Cc1ccc(c(c1SCF)F)C=O 62a_100015361967_100010381662 [0,1,0,0,0,0|2,1,0]=4 1853 B13R1.4021 O=Cc1ccc(c(c1F)SCF)F 62a_100000050342_100015361967 [0,1,0,0,0,0|2,1,0]=4 1854 B13R1.4021 O=Cc1ccc(c(c1F)SCF)F 62a_100015361967_100000050342 [0,1,0,0,0,0|2,1,0]=4 1855 B13R2.57 C=Cc1ccc2c(c1)CCCC2 271570a_100011290941_100011221367 [0,0,0,1,0,0|3,0,0]=4 1856 B13R2.57 C=Cc1ccc2c(c1)CCCN2 271570a_100011290941_100016994925 [0,0,0,1,0,0|3,0,0]=4 1857 B13R2.57 C=Cc1ccc2c(c1)CCCO2 271570a_100011290941_100011393166 [0,0,0,1,0,0|2,0,0]=3 1858 B13R2.57 C=Cc1ccc2c(c1)NCCC2 271570a_100011290941_100010196366 [0,0,0,1,0,0|3,0,0]=4 1859 B13R2.57 C=Cc1ccc2c(c1)NCCO2 271570a_100011290941_100000708519 [0,0,0,1,0,0|2,0,0]=3 1860 B13R2.57 C=Cc1ccc2c(c1)NCCS2 271570a_100011290941_100013243616 [0,0,0,1,0,0|2,1,0]=4 1861 B13R2.57 C=Cc1ccc2c(c1)OCCC2 271570a_100011290941_100010700467 [0,0,0,1,0,0|2,0,0]=3 1862 B13R2.57 C=Cc1ccc2c(c1)OCCN2 271570a_100011290941_100012355470 [0,0,0,1,0,0|2,0,0]=3 1863 B13R2.57 C=Cc1ccc2c(c1)OCCO2 271570a_100011290941_100000184379 [0,0,0,1,0,0|1,0,0]=2 1864 B13R2.57 C=Cc1ccc2c(n1)NCCO2 271570a_100011290941_100010209492 [0,0,0,1,0,0|3,0,0]=4 1865 B13R2.57 C=Cc1cnc2c(c1)CCCO2 271570a_100011290941_100010109689 [0,0,0,1,0,0|3,0,0]=4 1866 B13R2.57 C=Cc1cnc2c(c1)NCCO2 271570a_100011290941_100000700286 [0,0,0,1,0,0|3,0,0]=4 1867 B13R2.57 C=Cc1cnc2c(c1)OCCN2 271570a_100011290941_100009816924 [0,0,0,1,0,0|3,0,0]=4 1868 B13R2.57 CNc1ccc2c(c1)CCCO2 2230a_100138412508_200000210301 [0,0,0,1,0,0|3,0,0]=4 1869 B13R2.57 CNc1ccc2c(c1)CCCO2 34a_100138412508_200000210301 [0,0,0,1,0,0|3,0,0]=4 1870 B13R2.57 CNc1ccc2c(c1)OCCO2 2230a_100020630400_200000210301 [0,0,0,1,0,0|2,0,0]=3 1871 B13R2.57 CNc1ccc2c(c1)OCCO2 34a_100020630400_200000210301 [0,0,0,1,0,0|2,0,0]=3 1872 B13R2.57 COc1ccc2c(c1)NCCO2 34a_100020636358_200000210301 [0,0,0,1,0,0|3,0,0]=4 1873 B13R2.57 COc1ccc2c(c1)OCCO2 34a_100000234341_200000210301 [0,0,0,1,0,0|2,0,0]=3 1874 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_100011393166_200000210301 [0,0,0,1,0,0|3,0,0]=4 1875 B13R2.57 CSc1ccc2c(c1)CCCO2 62a_200000210301_100011393166 [0,0,0,1,0,0|3,0,0]=4 1876 B13R2.57 CSc1ccc2c(c1)NCCO2 62a_200000210301_100000708519 [0,0,0,1,0,0|3,0,0]=4 1877 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_100010700467_200000210301 [0,0,0,1,0,0|3,0,0]=4 1878 B13R2.57 CSc1ccc2c(c1)OCCC2 62a_200000210301_100010700467 [0,0,0,1,0,0|3,0,0]=4 1879 B13R2.57 CSc1ccc2c(c1)OCCN2 62a_200000210301_100012355470 [0,0,0,1,0,0|3,0,0]=4 1880 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_100011216881_200000210301 [0,0,0,1,0,0|2,0,0]=3 1881 B13R2.57 CSc1ccc2c(c1)OCCO2 62a_200000210301_100011216881 [0,0,0,1,0,0|2,0,0]=3 1882 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 2230a_100138412508_200025704644 [0,0,0,1,0,0|3,0,0]=4 1883 B13R2.57 [13CH3]Nc1ccc2c(c1)CCCO2 34a_100138412508_200025704644 [0,0,0,1,0,0|3,0,0]=4 1884 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 2230a_100020630400_200025704644 [0,0,0,1,0,0|2,0,0]=3 1885 B13R2.57 [13CH3]Nc1ccc2c(c1)OCCO2 34a_100020630400_200025704644 [0,0,0,1,0,0|2,0,0]=3 1886 B13R2.57 [13CH3]Oc1ccc2c(c1)NCCO2 34a_100020636358_200025704644 [0,0,0,1,0,0|3,0,0]=4 1887 B13R2.57 [13CH3]Oc1ccc2c(c1)OCCO2 34a_100000234341_200025704644 [0,0,0,1,0,0|2,0,0]=3 1888 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_100011393166_200025704644 [0,0,0,1,0,0|3,0,0]=4 1889 B13R2.57 [13CH3]Sc1ccc2c(c1)CCCO2 62a_200025704644_100011393166 [0,0,0,1,0,0|3,0,0]=4 1890 B13R2.57 [13CH3]Sc1ccc2c(c1)NCCO2 62a_200025704644_100000708519 [0,0,0,1,0,0|3,0,0]=4 1891 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_100010700467_200025704644 [0,0,0,1,0,0|3,0,0]=4 1892 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCC2 62a_200025704644_100010700467 [0,0,0,1,0,0|3,0,0]=4 1893 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCN2 62a_200025704644_100012355470 [0,0,0,1,0,0|3,0,0]=4 1894 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_100011216881_200025704644 [0,0,0,1,0,0|2,0,0]=3 1895 B13R2.57 [13CH3]Sc1ccc2c(c1)OCCO2 62a_200025704644_100011216881 [0,0,0,1,0,0|2,0,0]=3 1896 B13R2.611 C=Cc1ccc(c2c1CCC2)N 271570a_100011290941_200010751103 [0,0,0,1,0,0|3,0,0]=4 1897 B13R2.611 C=Cc1ccc(c2c1cco2)O 271570a_100011290941_200020711608 [0,0,0,1,0,0|1,0,2]=4 1898 B13R2.611 O=Cc1ccc(c2c1nsn2)O 271570a_203496583355_100010761824 [0,0,0,1,0,0|3,0,0]=4 1899 B13R2.2121 C=Cc1ccc2nc(oc2c1)C 271570a_100011290941_100010171164 [0,0,0,1,0,0|2,0,1]=4 1900 B13R2.2121 C=Cc1ccc2oc(nc2c1)C 271570a_100011290941_100009816932 [0,0,0,1,0,0|2,0,1]=4 1901 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 2230a_100102713350_200025704644 [0,0,0,1,0,0|3,0,0]=4 1902 B13R2.2121 CC1Cc2cc(ccc2O1)N[13CH3] 34a_100102713350_200025704644 [0,0,0,1,0,0|3,0,0]=4 1903 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 2230a_100102713350_200000210301 [0,0,0,1,0,0|3,0,0]=4 1904 B13R2.2121 CNc1ccc2c(c1)CC(O2)C 34a_100102713350_200000210301 [0,0,0,1,0,0|3,0,0]=4 1905 B13R2.2169 C=Cc1ccc(c(c1)C2CC2)N 271570a_100011290941_100010997530 [0,0,0,1,0,0|3,0,0]=4 1906 B13R2.2169 CCc1ccc(c(c1)C2CC2)O 271570a_100011220607_100012339963 [0,0,0,1,0,0|2,0,1]=4 1907 B13R2.2169 COc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000685887 [0,0,0,1,0,0|3,0,0]=4 1908 B13R2.2169 Cc1ccc(cc1C2CC2)C=O 271570a_100011220607_100000695567 [0,0,0,1,0,0|2,0,0]=3 1909 B13R2.2169 Cc1cnc(cc1C2CC2)C=O 271570a_100011220607_100010174032 [0,0,0,1,0,0|3,0,0]=4 1910 B13R2.2169 N#Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000725478 [0,0,0,1,0,0|2,0,1]=4 1911 B13R2.2169 Nc1ncc(cc1C2CC2)C=O 271570a_100011220607_100010064899 [0,0,0,1,0,0|3,0,0]=4 1912 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)Br 271570a_100011220607_100010146563 [0,0,0,1,0,0|2,0,0]=3 1913 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)Cl 271570a_100011220607_100010209939 [0,0,0,1,0,0|2,0,0]=3 1914 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)F 271570a_100011220607_100000211747 [0,0,0,1,0,0|2,0,0]=3 1915 B13R2.2169 O=Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000184552 [0,0,0,1,0,0|1,0,0]=2 1916 B13R2.2169 O=Cc1cnc(c(c1)C2CC2)O 271570a_100011220607_100010064886 [0,0,0,1,0,0|2,0,0]=3 1917 B13R2.2169 OCc1ccc(c(c1)C2CC2)O 271570a_100011220607_100011191544 [0,0,0,1,0,0|1,0,2]=4 1918 B11R1.185 CCSc1cc(sc1C)C=O 62a_100000210202_100000708457 [0,0,0,0,1,0|2,1,0]=4 1919 B11R1.185 CCSc1cc(sc1C)C=O 62a_100000708457_100000210202 [0,0,0,0,1,0|2,1,0]=4 1920 B11R1.185 CCSc1sc(cc1C)C=O 62a_100000210202_100000761930 [0,0,0,0,1,0|2,1,0]=4 1921 B11R1.185 CCSc1sc(cc1C)C=O 62a_100000761930_100000210202 [0,0,0,0,1,0|2,1,0]=4 1922 B10R0.91 C/C=C/CC(=O)C=COCC 1458a_100016266692_100102629194 [1,0,1,0,0,0|1,0,1]=4 1923 B10R0.91 CC=CCC(=O)C=COCC 1458a_100016266692_100000070051 [1,0,1,0,0,0|1,0,1]=4 1924 B10R1.4 CC=Cc1ccccc1O 271570a_100016259895_100000739446 [2,0,0,0,0,0|1,0,1]=4 1925 B10R1.4 CCNc1ccccc1Br 34a_100000210017_100000210202 [2,0,0,0,0,0|2,0,0]=4 1926 B10R1.4 CCNc1ccccc1C 34a_100015192222_100000210202 [2,0,0,0,0,0|2,0,0]=4 1927 B10R1.4 CCNc1ccccc1Cl 34a_100000185783_100000210202 [2,0,0,0,0,0|2,0,0]=4 1928 B10R1.4 CCNc1ccccc1F 34a_100000210422_100000210202 [2,0,0,0,0,0|2,0,0]=4 1929 B10R1.4 CCNc1ccccc1I 34a_100000210053_100000210202 [2,0,0,0,0,0|2,0,0]=4 1930 B10R1.4 CCNc1ccccc1O 271570a_203496583355_114873767003 [2,0,0,0,0,0|1,0,0]=3 1931 B10R1.4 CCNc1ccccc1O 34a_100000185747_100000210202 [2,0,0,0,0,0|1,0,0]=3 1932 B10R1.4 CCOc1cccc[n+]1[O-] 7a_100000211761_100000210202 [2,0,0,0,0,0|1,0,1]=4 1933 B10R1.4 CCOc1ccccc1Br 34a_100000181306_100000210202 [2,0,0,0,0,0|1,0,0]=3 1934 B10R1.4 CCOc1ccccc1Br 7a_100000181306_100000210202 [2,0,0,0,0,0|1,0,0]=3 1935 B10R1.4 CCOc1ccccc1C 34a_100000210338_100000210202 [2,0,0,0,0,0|1,0,0]=3 1936 B10R1.4 CCOc1ccccc1C 7a_100000210338_100000210202 [2,0,0,0,0,0|1,0,0]=3 1937 B10R1.4 CCOc1ccccc1Cl 34a_100000210172_100000210202 [2,0,0,0,0,0|1,0,0]=3 1938 B10R1.4 CCOc1ccccc1Cl 7a_100000210172_100000210202 [2,0,0,0,0,0|1,0,0]=3 1939 B10R1.4 CCOc1ccccc1F 34a_100000210171_100000210202 [2,0,0,0,0,0|1,0,0]=3 1940 B10R1.4 CCOc1ccccc1F 7a_100000210171_100000210202 [2,0,0,0,0,0|1,0,0]=3 1941 B10R1.4 CCOc1ccccc1I 34a_100000739446_100000210202 [2,0,0,0,0,0|1,0,0]=3 1942 B10R1.4 CCOc1ccccc1I 7a_100000739446_100000210202 [2,0,0,0,0,0|1,0,0]=3 1943 B10R1.4 CCOc1ccccc1N 34a_100000185747_100000210202 [2,0,0,0,0,0|1,0,0]=3 1944 B10R1.4 CCOc1ccccc1N 7a_100000185747_100000210202 [2,0,0,0,0,0|1,0,0]=3 1945 B10R1.4 CCOc1ccccc1O 271570a_203496583355_100000230754 [2,0,0,0,0,0|0,0,0]=2 1946 B10R1.4 CCOc1cccnc1Br 34a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 1947 B10R1.4 CCOc1cccnc1Br 7a_100000744436_100000210202 [2,0,0,0,0,0|2,0,0]=4 1948 B10R1.4 CCOc1cccnc1C 34a_100000745507_100000210202 [2,0,0,0,0,0|2,0,0]=4 1949 B10R1.4 CCOc1cccnc1C 7a_100000745507_100000210202 [2,0,0,0,0,0|2,0,0]=4 1950 B10R1.4 CCOc1cccnc1Cl 34a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 1951 B10R1.4 CCOc1cccnc1Cl 7a_100000757616_100000210202 [2,0,0,0,0,0|2,0,0]=4 1952 B10R1.4 CCOc1cccnc1F 34a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 1953 B10R1.4 CCOc1cccnc1F 7a_100000061740_100000210202 [2,0,0,0,0,0|2,0,0]=4 1954 B10R1.4 CCOc1cccnc1I 34a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 1955 B10R1.4 CCOc1cccnc1I 7a_100000034122_100000210202 [2,0,0,0,0,0|2,0,0]=4 1956 B10R1.4 CCOc1cccnc1N 34a_100000211975_100000210202 [2,0,0,0,0,0|2,0,0]=4 1957 B10R1.4 CCOc1cccnc1N 7a_100000211975_100000210202 [2,0,0,0,0,0|2,0,0]=4 1958 B10R1.4 CCOc1cccnc1O 271570a_203496583355_100011597540 [2,0,0,0,0,0|1,0,0]=3 1959 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [2,0,0,0,0,0|1,0,1]=4 1960 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [2,0,0,0,0,0|1,0,1]=4 1961 B10R1.4 CCOc1ccncc1Br 34a_100011996408_100000210202 [2,0,0,0,0,0|2,0,0]=4 1962 B10R1.4 CCOc1ccncc1C 34a_100000694293_100000210202 [2,0,0,0,0,0|2,0,0]=4 1963 B10R1.4 CCOc1ccncc1Cl 34a_100011997054_100000210202 [2,0,0,0,0,0|2,0,0]=4 1964 B10R1.4 CCOc1ccncc1F 34a_200000081243_100000210202 [2,0,0,0,0,0|2,0,0]=4 1965 B10R1.4 CCOc1cnccc1C 34a_100011997053_100000210202 [2,0,0,0,0,0|2,0,0]=4 1966 B10R1.4 CCOc1cnccc1C 7a_100011997053_100000210202 [2,0,0,0,0,0|2,0,0]=4 1967 B10R1.4 CCOc1cnccc1Cl 34a_100011996695_100000210202 [2,0,0,0,0,0|2,0,0]=4 1968 B10R1.4 CCOc1cnccc1I 34a_100000050107_100000210202 [2,0,0,0,0,0|2,0,0]=4 1969 B10R1.4 CCOc1cnccc1N 34a_100000753702_100000210202 [2,0,0,0,0,0|2,0,0]=4 1970 B10R1.4 CCOc1coccc1=O 34a_100000060831_100000210202 [2,0,0,0,0,0|1,0,1]=4 1971 B10R1.4 CCOc1ncccc1Cl 34a_100011290957_100000210202 [2,0,0,0,0,0|2,0,0]=4 1972 B10R1.4 CCOc1ncccc1F 34a_100011219419_100000210202 [2,0,0,0,0,0|2,0,0]=4 1973 B10R1.4 CCOc1ncccc1N 34a_100000746358_100000210202 [2,0,0,0,0,0|2,0,0]=4 1974 B10R1.4 CCOc1ncccc1O 271570a_203496583355_100011465154 [2,0,0,0,0,0|1,0,0]=3 1975 B10R1.4 CCOc1nccnc1O 271570a_203496583355_200010128176 [2,0,0,0,0,0|2,0,0]=4 1976 B10R1.4 CCSc1ccccc1Br 62a_100000210202_100000695589 [2,0,0,0,0,0|1,1,0]=4 1977 B10R1.4 CCSc1ccccc1Br 62a_100000695589_100000210202 [2,0,0,0,0,0|1,1,0]=4 1978 B10R1.4 CCSc1ccccc1C 62a_100000210202_100000210755 [2,0,0,0,0,0|1,1,0]=4 1979 B10R1.4 CCSc1ccccc1C 62a_100000210755_100000210202 [2,0,0,0,0,0|1,1,0]=4 1980 B10R1.4 CCSc1ccccc1Cl 62a_100000210202_100000764095 [2,0,0,0,0,0|1,1,0]=4 1981 B10R1.4 CCSc1ccccc1Cl 62a_100000764095_100000210202 [2,0,0,0,0,0|1,1,0]=4 1982 B10R1.4 CCSc1ccccc1F 62a_100000210202_100011215700 [2,0,0,0,0,0|1,1,0]=4 1983 B10R1.4 CCSc1ccccc1F 62a_100011215700_100000210202 [2,0,0,0,0,0|1,1,0]=4 1984 B10R1.4 CCSc1ccccc1N 62a_100000210017_100000210202 [2,0,0,0,0,0|1,1,0]=4 1985 B10R1.4 CCSc1ccccc1N 62a_100000210202_100000210017 [2,0,0,0,0,0|1,1,0]=4 1986 B10R1.4 CCSc1ccccc1O 271570a_203496583355_100000230856 [2,0,0,0,0,0|0,1,0]=3 1987 B10R1.4 CCSc1ccccc1O 62a_100000210202_100000739446 [2,0,0,0,0,0|0,1,0]=3 1988 B10R1.4 CCSc1ccccc1O 62a_100000739446_100000210202 [2,0,0,0,0,0|0,1,0]=3 1989 B10R1.4 CCSc1cccnc1O 62a_100000210202_100000760158 [2,0,0,0,0,0|1,1,0]=4 1990 B10R1.4 CCSc1cccnc1O 62a_100000760158_100000210202 [2,0,0,0,0,0|1,1,0]=4 1991 B10R1.4 CCSc1ccncc1O 62a_100000210202_100009817591 [2,0,0,0,0,0|1,1,0]=4 1992 B10R1.4 CCSc1ccncc1O 62a_100009817591_100000210202 [2,0,0,0,0,0|1,1,0]=4 1993 B10R1.4 CCSc1ncccc1O 62a_100000034122_100000210202 [2,0,0,0,0,0|1,1,0]=4 1994 B10R1.4 CCSc1ncccc1O 62a_100000210202_100000034122 [2,0,0,0,0,0|1,1,0]=4 1995 B10R1.4 CNCc1ccccc1O 271570a_203496583355_100000184654 [2,0,0,0,0,0|2,0,0]=4 1996 B10R1.4 CNCc1ccccc1O 34a_100000185550_200000210301 [2,0,0,0,0,0|2,0,0]=4 1997 B10R1.4 COCc1ccccc1O 271570a_203496583355_100011493684 [2,0,0,0,0,0|2,0,0]=4 1998 B10R1.4 CSCc1ccccc1O 271570a_203496583355_100000148299 [2,0,0,0,0,0|2,0,0]=4 1999 B10R1.4 Cc1ccccc1OCF 34a_100000210338_100015361967 [2,0,0,0,0,0|2,0,0]=4 2000 B10R1.4 Cc1ccccc1OCF 7a_100000210338_100015361967 [2,0,0,0,0,0|2,0,0]=4 2001 B10R1.4 FCOc1ccccc1Br 34a_100000181306_100015361967 [2,0,0,0,0,0|2,0,0]=4 2002 B10R1.4 FCOc1ccccc1Br 7a_100000181306_100015361967 [2,0,0,0,0,0|2,0,0]=4 2003 B10R1.4 FCOc1ccccc1Cl 34a_100000210172_100015361967 [2,0,0,0,0,0|2,0,0]=4 2004 B10R1.4 FCOc1ccccc1Cl 7a_100000210172_100015361967 [2,0,0,0,0,0|2,0,0]=4 2005 B10R1.4 FCOc1ccccc1F 34a_100000210171_100015361967 [2,0,0,0,0,0|2,0,0]=4 2006 B10R1.4 FCOc1ccccc1F 7a_100000210171_100015361967 [2,0,0,0,0,0|2,0,0]=4 2007 B10R1.4 FCOc1ccccc1I 34a_100000739446_100015361967 [2,0,0,0,0,0|2,0,0]=4 2008 B10R1.4 FCOc1ccccc1I 7a_100000739446_100015361967 [2,0,0,0,0,0|2,0,0]=4 2009 B10R1.4 NCCc1ccccc1O 271570a_203496583355_100000747383 [2,0,0,0,0,0|2,0,0]=4 2010 B10R1.4 Nc1ccccc1OCF 34a_100000185747_100015361967 [2,0,0,0,0,0|2,0,0]=4 2011 B10R1.4 Nc1ccccc1OCF 7a_100000185747_100015361967 [2,0,0,0,0,0|2,0,0]=4 2012 B10R1.4 OCCc1ccccc1O 271570a_203496583355_100000731337 [2,0,0,0,0,0|2,0,0]=4 2013 B10R1.4 Oc1ccccc1NCF 34a_100000185747_100015361967 [2,0,0,0,0,0|2,0,0]=4 2014 B10R1.4 Oc1ccccc1SCF 62a_100000739446_100015361967 [2,0,0,0,0,0|1,1,0]=4 2015 B10R1.4 Oc1ccccc1SCF 62a_100015361967_100000739446 [2,0,0,0,0,0|1,1,0]=4 2016 B10R1.4 [13CH3]NCc1ccccc1O 34a_100000185550_200025704644 [2,0,0,0,0,0|2,0,0]=4 2017 B10R1.10 CCCc1cccc(c1)O 271570a_203496583355_100000694964 [2,0,0,0,0,0|1,0,1]=4 2018 B10R1.10 CCNc1cc[nH]c(=O)c1 27a_100015525214_100000061649 [2,0,0,0,0,0|2,0,0]=4 2019 B10R1.10 CCNc1cccc(c1)Br 34a_100000210019_100000210202 [2,0,0,0,0,0|2,0,0]=4 2020 B10R1.10 CCNc1cccc(c1)C 2230a_100000188690_100000210202 [2,0,0,0,0,0|1,0,1]=4 2021 B10R1.10 CCNc1cccc(c1)C 34a_100000188690_100000210202 [2,0,0,0,0,0|1,0,1]=4 2022 B10R1.10 CCNc1cccc(c1)Cl 34a_100000185859_100000210202 [2,0,0,0,0,0|2,0,0]=4 2023 B10R1.10 CCNc1cccc(c1)F 34a_100000210047_100000210202 [2,0,0,0,0,0|2,0,0]=4 2024 B10R1.10 CCNc1cccc(c1)I 34a_100000211102_100000210202 [2,0,0,0,0,0|2,0,0]=4 2025 B10R1.10 CCNc1cccc(c1)O 271570a_203496583355_100000738899 [2,0,0,0,0,0|1,0,1]=4 2026 B10R1.10 CCNc1cccc(c1)O 34a_100000210217_100000210202 [2,0,0,0,0,0|1,0,1]=4 2027 B10R1.10 CCOc1cc(ccn1)O 271570a_203496583355_100009995528 [2,0,0,0,0,0|1,0,1]=4 2028 B10R1.10 CCOc1cc[nH]c(=O)c1 34a_100000032262_100000210202 [2,0,0,0,0,0|1,0,0]=3 2029 B10R1.10 CCOc1ccc[n+](c1)[O-] 34a_100000039713_100000210202 [2,0,0,0,0,0|1,0,1]=4 2030 B10R1.10 CCOc1ccc[n+](c1)[O-] 7a_100000039713_100000210202 [2,0,0,0,0,0|1,0,1]=4 2031 B10R1.10 CCOc1cccc(=O)[nH]1 34a_100000033347_100000210202 [2,0,0,0,0,0|1,0,0]=3 2032 B10R1.10 CCOc1cccc(c1)Br 34a_100000210342_100000210202 [2,0,0,0,0,0|1,0,0]=3 2033 B10R1.10 CCOc1cccc(c1)Br 7a_100000210342_100000210202 [2,0,0,0,0,0|1,0,0]=3 2034 B10R1.10 CCOc1cccc(c1)C 34a_100000210337_100000210202 [2,0,0,0,0,0|0,0,1]=3 2035 B10R1.10 CCOc1cccc(c1)C 7a_100000210337_100000210202 [2,0,0,0,0,0|0,0,1]=3 2036 B10R1.10 CCOc1cccc(c1)Cl 34a_100000210295_100000210202 [2,0,0,0,0,0|1,0,0]=3 2037 B10R1.10 CCOc1cccc(c1)Cl 7a_100000210295_100000210202 [2,0,0,0,0,0|1,0,0]=3 2038 B10R1.10 CCOc1cccc(c1)F 34a_100000210426_100000210202 [2,0,0,0,0,0|1,0,0]=3 2039 B10R1.10 CCOc1cccc(c1)F 7a_100000210426_100000210202 [2,0,0,0,0,0|1,0,0]=3 2040 B10R1.10 CCOc1cccc(c1)I 34a_100000211634_100000210202 [2,0,0,0,0,0|1,0,0]=3 2041 B10R1.10 CCOc1cccc(c1)I 7a_100000211634_100000210202 [2,0,0,0,0,0|1,0,0]=3 2042 B10R1.10 CCOc1cccc(c1)N 34a_100000210217_100000210202 [2,0,0,0,0,0|1,0,0]=3 2043 B10R1.10 CCOc1cccc(c1)O 271570a_203496583355_100000170002 [2,0,0,0,0,0|0,0,1]=3 2044 B10R1.10 CCOc1cccc(n1)F 34a_100011432558_100000210202 [2,0,0,0,0,0|2,0,0]=4 2045 B10R1.10 CCOc1cccc(n1)O 271570a_203496583355_100000752924 [2,0,0,0,0,0|1,0,1]=4 2046 B10R1.10 CCOc1ccnc(c1)C 34a_100000688365_100000210202 [2,0,0,0,0,0|1,0,1]=4 2047 B10R1.10 CCOc1ccnc(c1)Cl 34a_100000762945_100000210202 [2,0,0,0,0,0|2,0,0]=4 2048 B10R1.10 CCOc1ccnc(c1)F 34a_100000732698_100000210202 [2,0,0,0,0,0|2,0,0]=4 2049 B10R1.10 CCOc1ccnc(c1)N 34a_100011834064_100000210202 [2,0,0,0,0,0|2,0,0]=4 2050 B10R1.10 CCOc1ccnc(c1)O 271570a_203496583355_100011922638 [2,0,0,0,0,0|1,0,1]=4 2051 B10R1.10 CCOc1cncc(c1)Br 34a_100000754920_100000210202 [2,0,0,0,0,0|2,0,0]=4 2052 B10R1.10 CCOc1cncc(c1)Br 7a_100000754920_100000210202 [2,0,0,0,0,0|2,0,0]=4 2053 B10R1.10 CCOc1cncc(c1)C 34a_100011830280_100000210202 [2,0,0,0,0,0|1,0,1]=4 2054 B10R1.10 CCOc1cncc(c1)C 7a_100011830280_100000210202 [2,0,0,0,0,0|1,0,1]=4 2055 B10R1.10 CCOc1cncc(c1)Cl 7a_100000032511_100000210202 [2,0,0,0,0,0|2,0,0]=4 2056 B10R1.10 CCOc1cncc(c1)F 34a_100011830296_100000210202 [2,0,0,0,0,0|2,0,0]=4 2057 B10R1.10 CCOc1cncc(c1)F 7a_100011830296_100000210202 [2,0,0,0,0,0|2,0,0]=4 2058 B10R1.10 CCOc1cncc(c1)N 34a_100011997051_100000210202 [2,0,0,0,0,0|2,0,0]=4 2059 B10R1.10 CCOc1cncc(c1)O 271570a_203496583355_100012029586 [2,0,0,0,0,0|1,0,1]=4 2060 B10R1.10 CCSc1cc(=O)cc[nH]1 62a_100009817434_100000210202 [2,0,0,0,0,0|1,1,0]=4 2061 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100000210202_100009816521 [2,0,0,0,0,0|1,1,0]=4 2062 B10R1.10 CCSc1cc[nH]c(=O)c1 62a_100009816521_100000210202 [2,0,0,0,0,0|1,1,0]=4 2063 B10R1.10 CCSc1cccc(=O)[nH]1 62a_100000210202_100000752884 [2,0,0,0,0,0|1,1,0]=4 2064 B10R1.10 CCSc1cccc(c1)Br 62a_100000210202_100000691529 [2,0,0,0,0,0|1,1,0]=4 2065 B10R1.10 CCSc1cccc(c1)Br 62a_100000691529_100000210202 [2,0,0,0,0,0|1,1,0]=4 2066 B10R1.10 CCSc1cccc(c1)C 62a_100000210202_100011215228 [2,0,0,0,0,0|0,1,1]=4 2067 B10R1.10 CCSc1cccc(c1)C 62a_100011215228_100000210202 [2,0,0,0,0,0|0,1,1]=4 2068 B10R1.10 CCSc1cccc(c1)Cl 62a_100000210202_100000699651 [2,0,0,0,0,0|1,1,0]=4 2069 B10R1.10 CCSc1cccc(c1)Cl 62a_100000699651_100000210202 [2,0,0,0,0,0|1,1,0]=4 2070 B10R1.10 CCSc1cccc(c1)F 62a_100000210202_100000685547 [2,0,0,0,0,0|1,1,0]=4 2071 B10R1.10 CCSc1cccc(c1)F 62a_100000685547_100000210202 [2,0,0,0,0,0|1,1,0]=4 2072 B10R1.10 CCSc1cccc(c1)N 62a_100000210019_100000210202 [2,0,0,0,0,0|1,1,0]=4 2073 B10R1.10 CCSc1cccc(c1)N 62a_100000210202_100000210019 [2,0,0,0,0,0|1,1,0]=4 2074 B10R1.10 CCSc1cccc(c1)O 271570a_203496583355_100000703699 [2,0,0,0,0,0|0,1,1]=4 2075 B10R1.10 CCSc1cccc(c1)O 62a_100000210202_100000211634 [2,0,0,0,0,0|0,1,1]=4 2076 B10R1.10 CCSc1cccc(c1)[S] 62a_100000210202_114929384022 [2,0,0,0,0,0|0,2,0]=4 2077 B10R1.10 CCSc1cccc(c1)[S] 62a_114929384022_100000210202 [2,0,0,0,0,0|0,2,0]=4 2078 B10R1.10 Cc1cccc(c1)OCF 34a_100000210337_100015361967 [2,0,0,0,0,0|1,0,1]=4 2079 B10R1.10 Cc1cccc(c1)OCF 7a_100000210337_100015361967 [2,0,0,0,0,0|1,0,1]=4 2080 B10R1.10 FCOc1cccc(c1)Br 34a_100000210342_100015361967 [2,0,0,0,0,0|2,0,0]=4 2081 B10R1.10 FCOc1cccc(c1)Br 7a_100000210342_100015361967 [2,0,0,0,0,0|2,0,0]=4 2082 B10R1.10 FCOc1cccc(c1)Cl 34a_100000210295_100015361967 [2,0,0,0,0,0|2,0,0]=4 2083 B10R1.10 FCOc1cccc(c1)Cl 7a_100000210295_100015361967 [2,0,0,0,0,0|2,0,0]=4 2084 B10R1.10 FCOc1cccc(c1)F 34a_100000210426_100015361967 [2,0,0,0,0,0|2,0,0]=4 2085 B10R1.10 FCOc1cccc(c1)F 7a_100000210426_100015361967 [2,0,0,0,0,0|2,0,0]=4 2086 B10R1.10 FCOc1cccc(c1)I 34a_100000211634_100015361967 [2,0,0,0,0,0|2,0,0]=4 2087 B10R1.10 FCOc1cccc(c1)I 7a_100000211634_100015361967 [2,0,0,0,0,0|2,0,0]=4 2088 B10R1.10 Nc1cccc(c1)OCF 34a_100000210217_100015361967 [2,0,0,0,0,0|2,0,0]=4 2089 B10R1.10 O=c1cc(cc[nH]1)OCF 34a_100000032262_100015361967 [2,0,0,0,0,0|2,0,0]=4 2090 B10R1.10 O=c1cccc([nH]1)OCF 34a_100000033347_100015361967 [2,0,0,0,0,0|2,0,0]=4 2091 B10R1.30 CCc1cc(ccc1Br)O 271570a_203496583355_100010244631 [2,0,0,0,0,0|1,0,1]=4 2092 B10R1.30 CCc1cc(ccc1F)O 271570a_203496583355_100010244625 [2,0,0,0,0,0|1,0,1]=4 2093 B10R1.30 CCc1cc(ccc1N)O 271570a_203496583355_100000686106 [2,0,0,0,0,0|1,0,1]=4 2094 B10R1.30 CCc1cc(ccc1O)Br 271570a_203496583355_100011216195 [2,0,0,0,0,0|1,0,0]=3 2095 B10R1.30 CCc1cc(ccc1O)N 271570a_203496583355_100010109747 [2,0,0,0,0,0|1,0,0]=3 2096 B10R1.30 CCc1cc(ccc1O)O 271570a_203496583355_100012338938 [2,0,0,0,0,0|0,0,1]=3 2097 B10R1.30 CNc1cc(ccc1O)Br 34a_100000752626_200000210301 [2,0,0,0,0,0|2,0,0]=4 2098 B10R1.30 CNc1cc(ccc1O)C 34a_100011215204_200000210301 [2,0,0,0,0,0|1,0,1]=4 2099 B10R1.30 CNc1cc(ccc1O)Cl 34a_100000210500_200000210301 [2,0,0,0,0,0|2,0,0]=4 2100 B10R1.30 CNc1cc(ccc1O)F 271570a_203496583355_100020633008 [2,0,0,0,0,0|2,0,0]=4 2101 B10R1.30 CNc1cc(ccc1O)F 34a_100000759472_200000210301 [2,0,0,0,0,0|2,0,0]=4 2102 B10R1.30 COc1cc(=O)[nH]cc1Cl 34a_100000069390_200000210301 [2,0,0,0,0,0|2,0,0]=4 2103 B10R1.30 COc1cc(ccc1Br)Br 34a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2104 B10R1.30 COc1cc(ccc1Br)Br 7a_100011220040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2105 B10R1.30 COc1cc(ccc1Br)C 34a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 2106 B10R1.30 COc1cc(ccc1Br)C 7a_100012002257_200000210301 [2,0,0,0,0,0|1,0,1]=4 2107 B10R1.30 COc1cc(ccc1Br)Cl 34a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2108 B10R1.30 COc1cc(ccc1Br)Cl 7a_100012339455_200000210301 [2,0,0,0,0,0|2,0,0]=4 2109 B10R1.30 COc1cc(ccc1Br)F 34a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2110 B10R1.30 COc1cc(ccc1Br)F 7a_100000690578_200000210301 [2,0,0,0,0,0|2,0,0]=4 2111 B10R1.30 COc1cc(ccc1Br)I 34a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2112 B10R1.30 COc1cc(ccc1Br)I 7a_100012356990_200000210301 [2,0,0,0,0,0|2,0,0]=4 2113 B10R1.30 COc1cc(ccc1Br)O 271570a_203496583355_100012353699 [2,0,0,0,0,0|1,0,1]=4 2114 B10R1.30 COc1cc(ccc1C)Br 34a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2115 B10R1.30 COc1cc(ccc1C)Br 7a_100000685420_200000210301 [2,0,0,0,0,0|2,0,0]=4 2116 B10R1.30 COc1cc(ccc1C)C 34a_100000210931_200000210301 [2,0,0,0,0,0|1,0,1]=4 2117 B10R1.30 COc1cc(ccc1C)C 7a_100000210931_200000210301 [2,0,0,0,0,0|1,0,1]=4 2118 B10R1.30 COc1cc(ccc1C)Cl 34a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2119 B10R1.30 COc1cc(ccc1C)Cl 7a_100000756515_200000210301 [2,0,0,0,0,0|2,0,0]=4 2120 B10R1.30 COc1cc(ccc1C)F 34a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2121 B10R1.30 COc1cc(ccc1C)F 7a_100000690566_200000210301 [2,0,0,0,0,0|2,0,0]=4 2122 B10R1.30 COc1cc(ccc1C)I 7a_100000766334_200000210301 [2,0,0,0,0,0|2,0,0]=4 2123 B10R1.30 COc1cc(ccc1C)N 34a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2124 B10R1.30 COc1cc(ccc1C)N 7a_100000759471_200000210301 [2,0,0,0,0,0|2,0,0]=4 2125 B10R1.30 COc1cc(ccc1C)O 271570a_203496583355_100011830276 [2,0,0,0,0,0|1,0,1]=4 2126 B10R1.30 COc1cc(ccc1Cl)Br 34a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2127 B10R1.30 COc1cc(ccc1Cl)Br 7a_100000738945_200000210301 [2,0,0,0,0,0|2,0,0]=4 2128 B10R1.30 COc1cc(ccc1Cl)C 34a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2129 B10R1.30 COc1cc(ccc1Cl)C 7a_100000211493_200000210301 [2,0,0,0,0,0|1,0,1]=4 2130 B10R1.30 COc1cc(ccc1Cl)Cl 34a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2131 B10R1.30 COc1cc(ccc1Cl)Cl 7a_100000211422_200000210301 [2,0,0,0,0,0|2,0,0]=4 2132 B10R1.30 COc1cc(ccc1Cl)F 34a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2133 B10R1.30 COc1cc(ccc1Cl)F 7a_100000692107_200000210301 [2,0,0,0,0,0|2,0,0]=4 2134 B10R1.30 COc1cc(ccc1Cl)I 34a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2135 B10R1.30 COc1cc(ccc1Cl)I 7a_100011356854_200000210301 [2,0,0,0,0,0|2,0,0]=4 2136 B10R1.30 COc1cc(ccc1Cl)N 34a_100011934209_200000210301 [2,0,0,0,0,0|2,0,0]=4 2137 B10R1.30 COc1cc(ccc1Cl)O 271570a_203496583355_100011356853 [2,0,0,0,0,0|1,0,1]=4 2138 B10R1.30 COc1cc(ccc1F)Br 34a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2139 B10R1.30 COc1cc(ccc1F)Br 7a_100000686035_200000210301 [2,0,0,0,0,0|2,0,0]=4 2140 B10R1.30 COc1cc(ccc1F)C 34a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 2141 B10R1.30 COc1cc(ccc1F)C 7a_100000759540_200000210301 [2,0,0,0,0,0|1,0,1]=4 2142 B10R1.30 COc1cc(ccc1F)Cl 34a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2143 B10R1.30 COc1cc(ccc1F)Cl 7a_100000757397_200000210301 [2,0,0,0,0,0|2,0,0]=4 2144 B10R1.30 COc1cc(ccc1F)F 34a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2145 B10R1.30 COc1cc(ccc1F)F 7a_100000752141_200000210301 [2,0,0,0,0,0|2,0,0]=4 2146 B10R1.30 COc1cc(ccc1F)I 34a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2147 B10R1.30 COc1cc(ccc1F)I 7a_100009958187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2148 B10R1.30 COc1cc(ccc1F)N 34a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2149 B10R1.30 COc1cc(ccc1F)N 7a_100012017398_200000210301 [2,0,0,0,0,0|2,0,0]=4 2150 B10R1.30 COc1cc(ccc1F)O 271570a_203496583355_100011934186 [2,0,0,0,0,0|1,0,1]=4 2151 B10R1.30 COc1cc(ccc1I)Br 34a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2152 B10R1.30 COc1cc(ccc1I)Br 7a_100012344904_200000210301 [2,0,0,0,0,0|2,0,0]=4 2153 B10R1.30 COc1cc(ccc1I)Cl 34a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2154 B10R1.30 COc1cc(ccc1I)Cl 7a_100000050036_200000210301 [2,0,0,0,0,0|2,0,0]=4 2155 B10R1.30 COc1cc(ccc1I)F 34a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2156 B10R1.30 COc1cc(ccc1I)F 7a_100010084537_200000210301 [2,0,0,0,0,0|2,0,0]=4 2157 B10R1.30 COc1cc(ccc1N)Br 34a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2158 B10R1.30 COc1cc(ccc1N)Br 7a_100000739049_200000210301 [2,0,0,0,0,0|2,0,0]=4 2159 B10R1.30 COc1cc(ccc1N)C 34a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 2160 B10R1.30 COc1cc(ccc1N)C 7a_100000211527_200000210301 [2,0,0,0,0,0|1,0,1]=4 2161 B10R1.30 COc1cc(ccc1N)Cl 34a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2162 B10R1.30 COc1cc(ccc1N)Cl 7a_100000185728_200000210301 [2,0,0,0,0,0|2,0,0]=4 2163 B10R1.30 COc1cc(ccc1N)F 34a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2164 B10R1.30 COc1cc(ccc1N)F 7a_100000753323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2165 B10R1.30 COc1cc(ccc1N)I 34a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2166 B10R1.30 COc1cc(ccc1N)I 7a_100000057187_200000210301 [2,0,0,0,0,0|2,0,0]=4 2167 B10R1.30 COc1cc(ccc1N)N 34a_100025717382_200000210301 [2,0,0,0,0,0|2,0,0]=4 2168 B10R1.30 COc1cc(ccc1N)O 271570a_203496583355_100011279103 [2,0,0,0,0,0|1,0,1]=4 2169 B10R1.30 COc1cc(ccc1O)Br 271570a_203496583355_100010245111 [2,0,0,0,0,0|1,0,0]=3 2170 B10R1.30 COc1cc(ccc1O)C 271570a_203496583355_100010200004 [2,0,0,0,0,0|0,0,1]=3 2171 B10R1.30 COc1cc(ccc1O)Cl 271570a_203496583355_100000050115 [2,0,0,0,0,0|1,0,0]=3 2172 B10R1.30 COc1cc(ccc1O)F 271570a_203496583355_100000757151 [2,0,0,0,0,0|1,0,0]=3 2173 B10R1.30 COc1cc(ccc1O)N 271570a_203496583355_100000765947 [2,0,0,0,0,0|1,0,0]=3 2174 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100000694246 [2,0,0,0,0,0|0,0,1]=3 2175 B10R1.30 COc1cc(ccc1O)O 271570a_203496583355_100011827694 [2,0,0,0,0,0|0,0,1]=3 2176 B10R1.30 COc1cc(cnc1O)C 271570a_203496583355_200000118316 [2,0,0,0,0,0|1,0,1]=4 2177 B10R1.30 COc1cc(cnc1O)F 271570a_203496583355_100009867738 [2,0,0,0,0,0|2,0,0]=4 2178 B10R1.30 COc1cc(cnc1O)N 271570a_203496583355_100000097218 [2,0,0,0,0,0|2,0,0]=4 2179 B10R1.30 COc1cc(ncc1O)C 271570a_203496583355_100000717771 [2,0,0,0,0,0|1,0,1]=4 2180 B10R1.30 COc1cc(ncc1O)Cl 271570a_203496583355_100010154656 [2,0,0,0,0,0|2,0,0]=4 2181 B10R1.30 COc1cc(ncc1O)F 271570a_203496583355_100010135560 [2,0,0,0,0,0|2,0,0]=4 2182 B10R1.30 COc1cc(ncc1O)N 271570a_203496583355_100015506990 [2,0,0,0,0,0|2,0,0]=4 2183 B10R1.30 COc1nc(ccc1O)C 271570a_203496583355_100010138632 [2,0,0,0,0,0|1,0,1]=4 2184 B10R1.30 COc1nc(ccc1O)N 271570a_203496583355_100010187630 [2,0,0,0,0,0|2,0,0]=4 2185 B10R1.30 COc1nc(ccc1O)O 271570a_203496583355_100010893133 [2,0,0,0,0,0|1,0,1]=4 2186 B10R1.30 CSc1cc(ccc1O)Br 62a_100012355227_200000210301 [2,0,0,0,0,0|1,1,0]=4 2187 B10R1.30 CSc1cc(ccc1O)Br 62a_200000210301_100012355227 [2,0,0,0,0,0|1,1,0]=4 2188 B10R1.30 CSc1cc(ccc1O)C 271570a_203496583355_200010709736 [2,0,0,0,0,0|0,1,1]=4 2189 B10R1.30 CSc1cc(ccc1O)C 62a_100000765521_200000210301 [2,0,0,0,0,0|0,1,1]=4 2190 B10R1.30 CSc1cc(ccc1O)C 62a_200000210301_100000765521 [2,0,0,0,0,0|0,1,1]=4 2191 B10R1.30 CSc1cc(ccc1O)Cl 62a_100011356953_200000210301 [2,0,0,0,0,0|1,1,0]=4 2192 B10R1.30 CSc1cc(ccc1O)Cl 62a_200000210301_100011356953 [2,0,0,0,0,0|1,1,0]=4 2193 B10R1.30 CSc1cc(ccc1O)F 62a_100000211999_200000210301 [2,0,0,0,0,0|1,1,0]=4 2194 B10R1.30 CSc1cc(ccc1O)F 62a_200000210301_100000211999 [2,0,0,0,0,0|1,1,0]=4 2195 B10R1.30 CSc1cc(ccc1O)N 62a_100011534360_200000210301 [2,0,0,0,0,0|1,1,0]=4 2196 B10R1.30 CSc1cc(ccc1O)N 62a_200000210301_100011534360 [2,0,0,0,0,0|1,1,0]=4 2197 B10R1.30 CSc1cc(ccc1O)O 62a_200000210301_100009813629 [2,0,0,0,0,0|0,1,1]=4 2198 B10R1.30 Cc1ccc(c(c1)CO)O 271570a_203496583355_100012361352 [2,0,0,0,0,0|1,0,1]=4 2199 B10R1.30 Cc1ccc(c(c1)N[13CH3])O 34a_100011215204_200025704644 [2,0,0,0,0,0|1,0,1]=4 2200 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 34a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 2201 B10R1.30 Cc1ccc(c(c1)O[13CH3])Br 7a_100012002257_200025704644 [2,0,0,0,0,0|1,0,1]=4 2202 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 34a_100000210931_200025704644 [2,0,0,0,0,0|1,0,1]=4 2203 B10R1.30 Cc1ccc(c(c1)O[13CH3])C 7a_100000210931_200025704644 [2,0,0,0,0,0|1,0,1]=4 2204 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 34a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2205 B10R1.30 Cc1ccc(c(c1)O[13CH3])Cl 7a_100000211493_200025704644 [2,0,0,0,0,0|1,0,1]=4 2206 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 34a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 2207 B10R1.30 Cc1ccc(c(c1)O[13CH3])F 7a_100000759540_200025704644 [2,0,0,0,0,0|1,0,1]=4 2208 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 34a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 2209 B10R1.30 Cc1ccc(c(c1)O[13CH3])N 7a_100000211527_200025704644 [2,0,0,0,0,0|1,0,1]=4 2210 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_100000765521_200025704644 [2,0,0,0,0,0|0,1,1]=4 2211 B10R1.30 Cc1ccc(c(c1)S[13CH3])O 62a_200025704644_100000765521 [2,0,0,0,0,0|0,1,1]=4 2212 B10R1.30 Cc1ccc(cc1O[13CH3])Br 34a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2213 B10R1.30 Cc1ccc(cc1O[13CH3])Br 7a_100000685420_200025704644 [2,0,0,0,0,0|2,0,0]=4 2214 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 34a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 2215 B10R1.30 Cc1ccc(cc1O[13CH3])Cl 7a_100000756515_200025704644 [2,0,0,0,0,0|2,0,0]=4 2216 B10R1.30 Cc1ccc(cc1O[13CH3])F 34a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 2217 B10R1.30 Cc1ccc(cc1O[13CH3])F 7a_100000690566_200025704644 [2,0,0,0,0,0|2,0,0]=4 2218 B10R1.30 Cc1ccc(cc1O[13CH3])I 7a_100000766334_200025704644 [2,0,0,0,0,0|2,0,0]=4 2219 B10R1.30 Cc1ccc(cc1O[13CH3])N 34a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2220 B10R1.30 Cc1ccc(cc1O[13CH3])N 7a_100000759471_200025704644 [2,0,0,0,0,0|2,0,0]=4 2221 B10R1.30 NCc1cc(ccc1O)F 271570a_203496583355_100000742738 [2,0,0,0,0,0|2,0,0]=4 2222 B10R1.30 NCc1cc(ccc1O)O 271570a_203496583355_100000730032 [2,0,0,0,0,0|1,0,1]=4 2223 B10R1.30 Nc1ccc(c(c1)CO)O 271570a_203496583355_100012347228 [2,0,0,0,0,0|2,0,0]=4 2224 B10R1.30 OCc1cc(ccc1O)Br 271570a_203496583355_100011356890 [2,0,0,0,0,0|2,0,0]=4 2225 B10R1.30 OCc1cc(ccc1O)F 271570a_203496583355_100011217561 [2,0,0,0,0,0|2,0,0]=4 2226 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100000184703 [2,0,0,0,0,0|1,0,1]=4 2227 B10R1.30 OCc1cc(ccc1O)O 271570a_203496583355_100012351483 [2,0,0,0,0,0|1,0,1]=4 2228 B10R1.30 [13CH3]Nc1cc(ccc1O)Br 34a_100000752626_200025704644 [2,0,0,0,0,0|2,0,0]=4 2229 B10R1.30 [13CH3]Nc1cc(ccc1O)Cl 34a_100000210500_200025704644 [2,0,0,0,0,0|2,0,0]=4 2230 B10R1.30 [13CH3]Nc1cc(ccc1O)F 34a_100000759472_200025704644 [2,0,0,0,0,0|2,0,0]=4 2231 B10R1.30 [13CH3]Oc1cc(=O)[nH]cc1Cl 34a_100000069390_200025704644 [2,0,0,0,0,0|2,0,0]=4 2232 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 34a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2233 B10R1.30 [13CH3]Oc1cc(ccc1Br)Br 7a_100011220040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2234 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 34a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2235 B10R1.30 [13CH3]Oc1cc(ccc1Br)Cl 7a_100012339455_200025704644 [2,0,0,0,0,0|2,0,0]=4 2236 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 34a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2237 B10R1.30 [13CH3]Oc1cc(ccc1Br)F 7a_100000690578_200025704644 [2,0,0,0,0,0|2,0,0]=4 2238 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 34a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2239 B10R1.30 [13CH3]Oc1cc(ccc1Br)I 7a_100012356990_200025704644 [2,0,0,0,0,0|2,0,0]=4 2240 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 34a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2241 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Br 7a_100000738945_200025704644 [2,0,0,0,0,0|2,0,0]=4 2242 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 34a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2243 B10R1.30 [13CH3]Oc1cc(ccc1Cl)Cl 7a_100000211422_200025704644 [2,0,0,0,0,0|2,0,0]=4 2244 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 34a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2245 B10R1.30 [13CH3]Oc1cc(ccc1Cl)F 7a_100000692107_200025704644 [2,0,0,0,0,0|2,0,0]=4 2246 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 34a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2247 B10R1.30 [13CH3]Oc1cc(ccc1Cl)I 7a_100011356854_200025704644 [2,0,0,0,0,0|2,0,0]=4 2248 B10R1.30 [13CH3]Oc1cc(ccc1Cl)N 34a_100011934209_200025704644 [2,0,0,0,0,0|2,0,0]=4 2249 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 34a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2250 B10R1.30 [13CH3]Oc1cc(ccc1F)Br 7a_100000686035_200025704644 [2,0,0,0,0,0|2,0,0]=4 2251 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 34a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2252 B10R1.30 [13CH3]Oc1cc(ccc1F)Cl 7a_100000757397_200025704644 [2,0,0,0,0,0|2,0,0]=4 2253 B10R1.30 [13CH3]Oc1cc(ccc1F)F 34a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2254 B10R1.30 [13CH3]Oc1cc(ccc1F)F 7a_100000752141_200025704644 [2,0,0,0,0,0|2,0,0]=4 2255 B10R1.30 [13CH3]Oc1cc(ccc1F)I 34a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2256 B10R1.30 [13CH3]Oc1cc(ccc1F)I 7a_100009958187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2257 B10R1.30 [13CH3]Oc1cc(ccc1F)N 34a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2258 B10R1.30 [13CH3]Oc1cc(ccc1F)N 7a_100012017398_200025704644 [2,0,0,0,0,0|2,0,0]=4 2259 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 34a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2260 B10R1.30 [13CH3]Oc1cc(ccc1I)Br 7a_100012344904_200025704644 [2,0,0,0,0,0|2,0,0]=4 2261 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 34a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2262 B10R1.30 [13CH3]Oc1cc(ccc1I)Cl 7a_100000050036_200025704644 [2,0,0,0,0,0|2,0,0]=4 2263 B10R1.30 [13CH3]Oc1cc(ccc1I)F 34a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2264 B10R1.30 [13CH3]Oc1cc(ccc1I)F 7a_100010084537_200025704644 [2,0,0,0,0,0|2,0,0]=4 2265 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 34a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2266 B10R1.30 [13CH3]Oc1cc(ccc1N)Br 7a_100000739049_200025704644 [2,0,0,0,0,0|2,0,0]=4 2267 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 34a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2268 B10R1.30 [13CH3]Oc1cc(ccc1N)Cl 7a_100000185728_200025704644 [2,0,0,0,0,0|2,0,0]=4 2269 B10R1.30 [13CH3]Oc1cc(ccc1N)F 34a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2270 B10R1.30 [13CH3]Oc1cc(ccc1N)F 7a_100000753323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2271 B10R1.30 [13CH3]Oc1cc(ccc1N)I 34a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2272 B10R1.30 [13CH3]Oc1cc(ccc1N)I 7a_100000057187_200025704644 [2,0,0,0,0,0|2,0,0]=4 2273 B10R1.30 [13CH3]Oc1cc(ccc1N)N 34a_100025717382_200025704644 [2,0,0,0,0,0|2,0,0]=4 2274 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_100012355227_200025704644 [2,0,0,0,0,0|1,1,0]=4 2275 B10R1.30 [13CH3]Sc1cc(ccc1O)Br 62a_200025704644_100012355227 [2,0,0,0,0,0|1,1,0]=4 2276 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_100011356953_200025704644 [2,0,0,0,0,0|1,1,0]=4 2277 B10R1.30 [13CH3]Sc1cc(ccc1O)Cl 62a_200025704644_100011356953 [2,0,0,0,0,0|1,1,0]=4 2278 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_100000211999_200025704644 [2,0,0,0,0,0|1,1,0]=4 2279 B10R1.30 [13CH3]Sc1cc(ccc1O)F 62a_200025704644_100000211999 [2,0,0,0,0,0|1,1,0]=4 2280 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_100011534360_200025704644 [2,0,0,0,0,0|1,1,0]=4 2281 B10R1.30 [13CH3]Sc1cc(ccc1O)N 62a_200025704644_100011534360 [2,0,0,0,0,0|1,1,0]=4 2282 B10R1.30 [13CH3]Sc1cc(ccc1O)O 62a_200025704644_100009813629 [2,0,0,0,0,0|0,1,1]=4 2283 B10R1.172 C#Cc1cccc(c1)OC 34a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 2284 B10R1.172 C#Cc1cccc(c1)OC 7a_100011216014_200000210301 [2,0,0,0,0,0|1,0,1]=4 2285 B10R1.172 C#Cc1cccc(c1)O[13CH3] 34a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 2286 B10R1.172 C#Cc1cccc(c1)O[13CH3] 7a_100011216014_200025704644 [2,0,0,0,0,0|1,0,1]=4 2287 B10R1.172 C=Cc1cc(ccn1)CC 271570a_100011290941_100009817561 [2,0,0,0,0,0|2,0,0]=4 2288 B10R1.172 C=Cc1cc(ccn1)OC 271570a_100011290941_100011216251 [2,0,0,0,0,0|2,0,0]=4 2289 B10R1.172 C=Cc1cccc(c1)C=O 271570a_100011290941_100000014684 [2,0,0,0,0,0|0,0,2]=4 2290 B10R1.172 C=Cc1cccc(c1)CC 271570a_100011290941_100000684523 [2,0,0,0,0,0|1,0,0]=3 2291 B10R1.172 C=Cc1cccc(c1)CF 271570a_100011290941_100010878472 [2,0,0,0,0,0|2,0,0]=4 2292 B10R1.172 C=Cc1cccc(c1)CN 271570a_100011290941_100000106179 [2,0,0,0,0,0|2,0,0]=4 2293 B10R1.172 C=Cc1cccc(c1)CO 271570a_100011290941_100000687537 [2,0,0,0,0,0|2,0,0]=4 2294 B10R1.172 C=Cc1cccc(c1)NC 271570a_100011290941_100000219648 [2,0,0,0,0,0|2,0,0]=4 2295 B10R1.172 C=Cc1cccc(c1)NC 34a_100011827668_200000210301 [2,0,0,0,0,0|2,0,0]=4 2296 B10R1.172 C=Cc1cccc(c1)N[13CH3] 34a_100011827668_200025704644 [2,0,0,0,0,0|2,0,0]=4 2297 B10R1.172 C=Cc1cccc(c1)OC 271570a_100011290941_100000170001 [2,0,0,0,0,0|1,0,0]=3 2298 B10R1.172 C=Cc1cccc(c1)OC 34a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 2299 B10R1.172 C=Cc1cccc(c1)OC 7a_100011309434_200000210301 [2,0,0,0,0,0|1,0,0]=3 2300 B10R1.172 C=Cc1cccc(c1)O[13CH3] 34a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 2301 B10R1.172 C=Cc1cccc(c1)O[13CH3] 7a_100011309434_200025704644 [2,0,0,0,0,0|1,0,0]=3 2302 B10R1.172 C=Cc1cccc(c1)SC 271570a_100011290941_100011215954 [2,0,0,0,0,0|1,1,0]=4 2303 B10R1.172 C=Cc1cccc(c1)SC 62a_100011215241_200000210301 [2,0,0,0,0,0|1,1,0]=4 2304 B10R1.172 C=Cc1cccc(c1)SC 62a_200000210301_100011215241 [2,0,0,0,0,0|1,1,0]=4 2305 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_100011215241_200025704644 [2,0,0,0,0,0|1,1,0]=4 2306 B10R1.172 C=Cc1cccc(c1)S[13CH3] 62a_200025704644_100011215241 [2,0,0,0,0,0|1,1,0]=4 2307 B10R1.172 C=Cc1cccc(n1)CC 271570a_100011290941_100009856026 [2,0,0,0,0,0|2,0,0]=4 2308 B10R1.172 C=Cc1cccc(n1)OC 271570a_100011290941_100000760917 [2,0,0,0,0,0|2,0,0]=4 2309 B10R1.172 C=Cc1ccnc(c1)CC 271570a_100011290941_100009820011 [2,0,0,0,0,0|2,0,0]=4 2310 B10R1.172 C=Cc1ccnc(c1)OC 271570a_100011290941_100000117307 [2,0,0,0,0,0|2,0,0]=4 2311 B10R1.172 C=Cc1cncc(c1)CC 271570a_100011290941_200009819073 [2,0,0,0,0,0|2,0,0]=4 2312 B10R1.172 C=Cc1cncc(c1)OC 271570a_100011290941_100000684773 [2,0,0,0,0,0|2,0,0]=4 2313 B10R1.172 CCc1cccc(c1)NC 2230a_100000211250_200000210301 [2,0,0,0,0,0|2,0,0]=4 2314 B10R1.172 CCc1cccc(c1)NC 34a_100000211250_200000210301 [2,0,0,0,0,0|2,0,0]=4 2315 B10R1.172 CCc1cccc(c1)NC 7a_100000211250_200000210301 [2,0,0,0,0,0|2,0,0]=4 2316 B10R1.172 CCc1cccc(c1)N[13CH3] 2230a_100000211250_200025704644 [2,0,0,0,0,0|2,0,0]=4 2317 B10R1.172 CCc1cccc(c1)N[13CH3] 34a_100000211250_200025704644 [2,0,0,0,0,0|2,0,0]=4 2318 B10R1.172 CCc1cccc(c1)N[13CH3] 7a_100000211250_200025704644 [2,0,0,0,0,0|2,0,0]=4 2319 B10R1.172 CCc1cccc(c1)OC 34a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 2320 B10R1.172 CCc1cccc(c1)OC 7a_100000211550_200000210301 [2,0,0,0,0,0|1,0,1]=4 2321 B10R1.172 CCc1cccc(c1)O[13CH3] 34a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2322 B10R1.172 CCc1cccc(c1)O[13CH3] 7a_100000211550_200025704644 [2,0,0,0,0,0|1,0,1]=4 2323 B10R1.172 CCc1cccc(c1)SC 62a_100011263222_200000210301 [2,0,0,0,0,0|2,0,0]=4 2324 B10R1.172 CCc1cccc(c1)SC 62a_200000210301_100011263222 [2,0,0,0,0,0|2,0,0]=4 2325 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_100011263222_200025704644 [2,0,0,0,0,0|2,0,0]=4 2326 B10R1.172 CCc1cccc(c1)S[13CH3] 62a_200025704644_100011263222 [2,0,0,0,0,0|2,0,0]=4 2327 B10R1.172 CNc1cccc(c1)OC 34a_100000210024_200000210301 [2,0,0,0,0,0|2,0,0]=4 2328 B10R1.172 CNc1cccc(c1)OC 34a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 2329 B10R1.172 CNc1cccc(c1)OC 7a_100000756613_200000210301 [2,0,0,0,0,0|2,0,0]=4 2330 B10R1.172 CNc1cccc(c1)O[13CH3] 34a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 2331 B10R1.172 CNc1cccc(c1)O[13CH3] 7a_100000756613_200025704644 [2,0,0,0,0,0|2,0,0]=4 2332 B10R1.172 COc1cccc(c1)C#N 34a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2333 B10R1.172 COc1cccc(c1)C#N 7a_100000184713_200000210301 [2,0,0,0,0,0|1,0,1]=4 2334 B10R1.172 COc1cccc(c1)CBr 34a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2335 B10R1.172 COc1cccc(c1)CBr 7a_100011660834_200000210301 [2,0,0,0,0,0|1,0,1]=4 2336 B10R1.172 COc1cccc(c1)CCl 34a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2337 B10R1.172 COc1cccc(c1)CCl 7a_100000084143_200000210301 [2,0,0,0,0,0|1,0,1]=4 2338 B10R1.172 COc1cccc(c1)CN 34a_100000743036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2339 B10R1.172 COc1cccc(c1)CO 34a_100011214949_200000210301 [2,0,0,0,0,0|0,0,2]=4 2340 B10R1.172 COc1cccc(c1)CO 7a_100011214949_200000210301 [2,0,0,0,0,0|0,0,2]=4 2341 B10R1.172 COc1cccc(c1)N[13CH3] 34a_100000210024_200025704644 [2,0,0,0,0,0|2,0,0]=4 2342 B10R1.172 COc1cccc(c1)OC 34a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2343 B10R1.172 COc1cccc(c1)OC 7a_100000211255_200000210301 [2,0,0,0,0,0|2,0,0]=4 2344 B10R1.172 COc1cccc(c1)O[13CH3] 34a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2345 B10R1.172 COc1cccc(c1)O[13CH3] 7a_100000211255_200025704644 [2,0,0,0,0,0|2,0,0]=4 2346 B10R1.172 COc1cccc(c1)SC 34a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2347 B10R1.172 COc1cccc(c1)SC 62a_200000210301_100000170001 [2,0,0,0,0,0|2,0,0]=4 2348 B10R1.172 COc1cccc(c1)SC 7a_100011265683_200000210301 [2,0,0,0,0,0|2,0,0]=4 2349 B10R1.172 COc1cccc(c1)S[13CH3] 62a_200025704644_100000170001 [2,0,0,0,0,0|2,0,0]=4 2350 B10R1.172 CSc1cc(ccn1)C=O 62a_100011290808_200000210301 [2,0,0,0,0,0|1,1,0]=4 2351 B10R1.172 CSc1cc(ccn1)C=O 62a_200000210301_100011290808 [2,0,0,0,0,0|1,1,0]=4 2352 B10R1.172 CSc1cccc(c1)C=O 62a_100000014684_200000210301 [2,0,0,0,0,0|0,1,0]=3 2353 B10R1.172 CSc1cccc(c1)C=O 62a_200000210301_100000014684 [2,0,0,0,0,0|0,1,0]=3 2354 B10R1.172 CSc1cccc(c1)O[13CH3] 34a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2355 B10R1.172 CSc1cccc(c1)O[13CH3] 7a_100011265683_200025704644 [2,0,0,0,0,0|2,0,0]=4 2356 B10R1.172 CSc1cccc(n1)C=O 62a_100000688028_200000210301 [2,0,0,0,0,0|1,1,0]=4 2357 B10R1.172 CSc1cccc(n1)C=O 62a_200000210301_100000688028 [2,0,0,0,0,0|1,1,0]=4 2358 B10R1.172 CSc1ccnc(c1)C=O 62a_100011998288_200000210301 [2,0,0,0,0,0|1,1,0]=4 2359 B10R1.172 CSc1ccnc(c1)C=O 62a_200000210301_100011998288 [2,0,0,0,0,0|1,1,0]=4 2360 B10R1.172 CSc1cncc(c1)C=O 62a_100000687066_200000210301 [2,0,0,0,0,0|1,1,0]=4 2361 B10R1.172 CSc1cncc(c1)C=O 62a_200000210301_100000687066 [2,0,0,0,0,0|1,1,0]=4 2362 B10R1.172 [13CH3]Oc1cccc(c1)C#N 34a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2363 B10R1.172 [13CH3]Oc1cccc(c1)C#N 7a_100000184713_200025704644 [2,0,0,0,0,0|1,0,1]=4 2364 B10R1.172 [13CH3]Oc1cccc(c1)CBr 34a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2365 B10R1.172 [13CH3]Oc1cccc(c1)CBr 7a_100011660834_200025704644 [2,0,0,0,0,0|1,0,1]=4 2366 B10R1.172 [13CH3]Oc1cccc(c1)CCl 34a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2367 B10R1.172 [13CH3]Oc1cccc(c1)CCl 7a_100000084143_200025704644 [2,0,0,0,0,0|1,0,1]=4 2368 B10R1.172 [13CH3]Oc1cccc(c1)CN 34a_100000743036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2369 B10R1.172 [13CH3]Oc1cccc(c1)CO 34a_100011214949_200025704644 [2,0,0,0,0,0|0,0,2]=4 2370 B10R1.172 [13CH3]Oc1cccc(c1)CO 7a_100011214949_200025704644 [2,0,0,0,0,0|0,0,2]=4 2371 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_100011290808_200025704644 [2,0,0,0,0,0|1,1,0]=4 2372 B10R1.172 [13CH3]Sc1cc(ccn1)C=O 62a_200025704644_100011290808 [2,0,0,0,0,0|1,1,0]=4 2373 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_100000014684_200025704644 [2,0,0,0,0,0|0,1,0]=3 2374 B10R1.172 [13CH3]Sc1cccc(c1)C=O 62a_200025704644_100000014684 [2,0,0,0,0,0|0,1,0]=3 2375 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_100000688028_200025704644 [2,0,0,0,0,0|1,1,0]=4 2376 B10R1.172 [13CH3]Sc1cccc(n1)C=O 62a_200025704644_100000688028 [2,0,0,0,0,0|1,1,0]=4 2377 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_100011998288_200025704644 [2,0,0,0,0,0|1,1,0]=4 2378 B10R1.172 [13CH3]Sc1ccnc(c1)C=O 62a_200025704644_100011998288 [2,0,0,0,0,0|1,1,0]=4 2379 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_100000687066_200025704644 [2,0,0,0,0,0|1,1,0]=4 2380 B10R1.172 [13CH3]Sc1cncc(c1)C=O 62a_200025704644_100000687066 [2,0,0,0,0,0|1,1,0]=4 2381 B10R1.176 C=Cc1cc(c(cn1)O)C 271570a_100011290941_100000692680 [2,0,0,0,0,0|2,0,0]=4 2382 B10R1.176 C=Cc1ccc(c(c1)Br)O 271570a_100011290941_100012361655 [2,0,0,0,0,0|2,0,0]=4 2383 B10R1.176 C=Cc1ccc(c(c1)C)Br 271570a_100011290941_100009813585 [2,0,0,0,0,0|2,0,0]=4 2384 B10R1.176 C=Cc1ccc(c(c1)C)C 271570a_100011290941_100011215607 [2,0,0,0,0,0|2,0,0]=4 2385 B10R1.176 C=Cc1ccc(c(c1)C)Cl 271570a_100011290941_100000049509 [2,0,0,0,0,0|2,0,0]=4 2386 B10R1.176 C=Cc1ccc(c(c1)C)F 271570a_100011290941_100011218330 [2,0,0,0,0,0|2,0,0]=4 2387 B10R1.176 C=Cc1ccc(c(c1)C)N 271570a_100011290941_100000211769 [2,0,0,0,0,0|2,0,0]=4 2388 B10R1.176 C=Cc1ccc(c(c1)C)O 271570a_100011290941_100000186361 [2,0,0,0,0,0|1,0,0]=3 2389 B10R1.176 C=Cc1ccc(c(c1)Cl)O 271570a_100011290941_100012360047 [2,0,0,0,0,0|2,0,0]=4 2390 B10R1.176 C=Cc1ccc(c(c1)F)O 271570a_100011290941_100000185481 [2,0,0,0,0,0|2,0,0]=4 2391 B10R1.176 C=Cc1ccc(c(c1)N)O 271570a_100011290941_100000752626 [2,0,0,0,0,0|2,0,0]=4 2392 B10R1.176 C=Cc1ccc(c(c1)O)Br 271570a_100011290941_100012356990 [2,0,0,0,0,0|2,0,0]=4 2393 B10R1.176 C=Cc1ccc(c(c1)O)C 271570a_100011290941_100000766334 [2,0,0,0,0,0|2,0,0]=4 2394 B10R1.176 C=Cc1ccc(c(c1)O)Cl 271570a_100011290941_100011356854 [2,0,0,0,0,0|2,0,0]=4 2395 B10R1.176 C=Cc1ccc(c(c1)O)F 271570a_100011290941_100000686035 [2,0,0,0,0,0|2,0,0]=4 2396 B10R1.176 C=Cc1ccc(c(c1)O)N 271570a_100011290941_100000739049 [2,0,0,0,0,0|2,0,0]=4 2397 B10R1.176 C=Cc1ccc(c(c1)O)O 271570a_100011290941_100009813601 [2,0,0,0,0,0|1,0,0]=3 2398 B10R1.176 C=Cc1ccc(c(n1)C)O 271570a_100011290941_100010233687 [2,0,0,0,0,0|2,0,0]=4 2399 B10R1.176 C=Cc1cnc(c(c1)C)O 271570a_100011290941_100000685391 [2,0,0,0,0,0|2,0,0]=4 2400 B10R1.176 CCc1ccc(c(c1)O)O 271570a_203496583355_100012339963 [2,0,0,0,0,0|1,0,1]=4 2401 B10R1.176 CNc1ccc(c(c1)C)O 271570a_203496583355_100102888905 [2,0,0,0,0,0|2,0,0]=4 2402 B10R1.176 CNc1ccc(c(c1)C)O 34a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 2403 B10R1.176 CNc1ccc(c(c1)C)O 7a_100011218179_200000210301 [2,0,0,0,0,0|2,0,0]=4 2404 B10R1.176 CNc1ccc(c(c1)O)O 34a_100102946323_200000210301 [2,0,0,0,0,0|2,0,0]=4 2405 B10R1.176 COc1ccc(c(c1)C)O 271570a_203496583355_100000759875 [2,0,0,0,0,0|2,0,0]=4 2406 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000685887 [2,0,0,0,0,0|2,0,0]=4 2407 B10R1.176 COc1ccc(c(c1)O)O 271570a_203496583355_100000719091 [2,0,0,0,0,0|2,0,0]=4 2408 B10R1.176 CSc1ccc(c(c1)C)O 62a_200000210301_100000186361 [2,0,0,0,0,0|2,0,0]=4 2409 B10R1.176 CSc1ccc(c(c1)O)O 62a_200000210301_100009813601 [2,0,0,0,0,0|2,0,0]=4 2410 B10R1.176 Cc1cc(ccc1O)C#N 271570a_203496583355_100000212329 [2,0,0,0,0,0|1,0,1]=4 2411 B10R1.176 Cc1cc(ccc1O)C=O 271570a_203496583355_100000765772 [2,0,0,0,0,0|0,0,0]=2 2412 B10R1.176 Cc1cc(ccc1O)CN 271570a_203496583355_100015205234 [2,0,0,0,0,0|1,0,1]=4 2413 B10R1.176 Cc1cc(ccc1O)CO 271570a_203496583355_100000718852 [2,0,0,0,0,0|0,0,2]=4 2414 B10R1.176 Cc1cc(ccc1O)NN 271570a_203496583355_100000745493 [2,0,0,0,0,0|2,0,0]=4 2415 B10R1.176 Cc1cc(ccc1O)N[13CH3] 34a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 2416 B10R1.176 Cc1cc(ccc1O)N[13CH3] 7a_100011218179_200025704644 [2,0,0,0,0,0|2,0,0]=4 2417 B10R1.176 Cc1cc(ccc1O)S[13CH3] 62a_200025704644_100000186361 [2,0,0,0,0,0|2,0,0]=4 2418 B10R1.176 Cc1cc(cnc1O)C=O 271570a_203496583355_100000070293 [2,0,0,0,0,0|1,0,0]=3 2419 B10R1.176 Cc1cc(ncc1O)C=O 271570a_203496583355_100009814806 [2,0,0,0,0,0|1,0,0]=3 2420 B10R1.176 Cc1ccc(cc1O)C=O 271570a_203496583355_100000695567 [2,0,0,0,0,0|1,0,0]=3 2421 B10R1.176 Cc1cnc(cc1O)C=O 271570a_203496583355_100010174032 [2,0,0,0,0,0|2,0,0]=4 2422 B10R1.176 Cc1nc(ccc1O)C=O 271570a_203496583355_100010238520 [2,0,0,0,0,0|1,0,0]=3 2423 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000724445 [2,0,0,0,0,0|1,0,1]=4 2424 B10R1.176 N#Cc1ccc(c(c1)O)O 271570a_203496583355_100000725478 [2,0,0,0,0,0|1,0,1]=4 2425 B10R1.176 Nc1ncc(cc1O)C=O 271570a_203496583355_100010064899 [2,0,0,0,0,0|2,0,0]=4 2426 B10R1.176 O=Cc1ccc(c(c1)F)O 271570a_203496583355_100000686674 [2,0,0,0,0,0|1,0,0]=3 2427 B10R1.176 O=Cc1ccc(c(c1)O)Br 271570a_203496583355_100010146563 [2,0,0,0,0,0|1,0,0]=3 2428 B10R1.176 O=Cc1ccc(c(c1)O)Cl 271570a_203496583355_100010209939 [2,0,0,0,0,0|1,0,0]=3 2429 B10R1.176 O=Cc1ccc(c(c1)O)F 271570a_203496583355_100000211747 [2,0,0,0,0,0|1,0,0]=3 2430 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000041418 [2,0,0,0,0,0|0,0,0]=2 2431 B10R1.176 O=Cc1ccc(c(c1)O)O 271570a_203496583355_100000184552 [2,0,0,0,0,0|0,0,0]=2 2432 B10R1.176 O=Cc1cnc(c(c1)F)O 271570a_203496583355_100009866847 [2,0,0,0,0,0|2,0,0]=4 2433 B10R1.176 O=Cc1cnc(c(c1)O)O 271570a_203496583355_100010064886 [2,0,0,0,0,0|1,0,0]=3 2434 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100000049605 [2,0,0,0,0,0|0,0,2]=4 2435 B10R1.176 OCc1ccc(c(c1)O)O 271570a_203496583355_100011191544 [2,0,0,0,0,0|0,0,2]=4 2436 B10R1.176 [13CH3]Nc1ccc(c(c1)O)O 34a_100102946323_200025704644 [2,0,0,0,0,0|2,0,0]=4 2437 B10R1.176 [13CH3]Sc1ccc(c(c1)O)O 62a_200025704644_100009813601 [2,0,0,0,0,0|2,0,0]=4 2438 B12R1.40 CCNc1cc(cc(c1O)Br)Br 34a_100010781877_100000210202 [1,1,0,0,0,0|2,0,0]=4 2439 B12R1.40 CCNc1cc(cc(c1O)Br)Cl 34a_106741647128_100000210202 [1,1,0,0,0,0|2,0,0]=4 2440 B12R1.40 CCNc1cc(cc(c1O)Br)F 34a_200011217456_100000210202 [1,1,0,0,0,0|2,0,0]=4 2441 B12R1.40 CCNc1cc(cc(c1O)C)Br 34a_100011825904_100000210202 [1,1,0,0,0,0|2,0,0]=4 2442 B12R1.40 CCNc1cc(cc(c1O)C)Br 7a_100011825904_100000210202 [1,1,0,0,0,0|2,0,0]=4 2443 B12R1.40 CCNc1cc(cc(c1O)C)C 34a_100011216242_100000210202 [1,1,0,0,0,0|1,0,1]=4 2444 B12R1.40 CCNc1cc(cc(c1O)C)C 7a_100011216242_100000210202 [1,1,0,0,0,0|1,0,1]=4 2445 B12R1.40 CCNc1cc(cc(c1O)C)F 34a_100000130126_100000210202 [1,1,0,0,0,0|2,0,0]=4 2446 B12R1.40 CCNc1cc(cc(c1O)C)F 7a_100000130126_100000210202 [1,1,0,0,0,0|2,0,0]=4 2447 B12R1.40 CCNc1cc(cc(c1O)Cl)Br 34a_100000694353_100000210202 [1,1,0,0,0,0|2,0,0]=4 2448 B12R1.40 CCNc1cc(cc(c1O)Cl)Cl 34a_100000695819_100000210202 [1,1,0,0,0,0|2,0,0]=4 2449 B12R1.40 CCNc1cc(cc(c1O)F)Br 34a_100011217383_100000210202 [1,1,0,0,0,0|2,0,0]=4 2450 B12R1.40 CCNc1cc(cc(c1O)F)Br 7a_100011217383_100000210202 [1,1,0,0,0,0|2,0,0]=4 2451 B12R1.40 CCNc1cc(cc(c1O)F)F 34a_100015205836_100000210202 [1,1,0,0,0,0|2,0,0]=4 2452 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 34a_200000102741_100000210202 [1,1,0,0,0,0|2,0,0]=4 2453 B12R1.40 CCOc1cc(=O)[nH]c(c1C)C 7a_200000102741_100000210202 [1,1,0,0,0,0|2,0,0]=4 2454 B12R1.40 CCOc1cc(cc(c1Br)C)C 34a_100010342985_100000210202 [1,1,0,0,0,0|1,0,1]=4 2455 B12R1.40 CCOc1cc(cc(c1Br)C)C 7a_100010342985_100000210202 [1,1,0,0,0,0|1,0,1]=4 2456 B12R1.40 CCOc1cc(cc(c1Br)F)Cl 34a_100015539415_100000210202 [1,1,0,0,0,0|2,0,0]=4 2457 B12R1.40 CCOc1cc(cc(c1Br)F)Cl 7a_100015539415_100000210202 [1,1,0,0,0,0|2,0,0]=4 2458 B12R1.40 CCOc1cc(cc(c1Br)F)F 34a_100009815984_100000210202 [1,1,0,0,0,0|2,0,0]=4 2459 B12R1.40 CCOc1cc(cc(c1Br)F)F 7a_100009815984_100000210202 [1,1,0,0,0,0|2,0,0]=4 2460 B12R1.40 CCOc1cc(cc(c1C)C)C 34a_100000230004_100000210202 [1,1,0,0,0,0|1,0,1]=4 2461 B12R1.40 CCOc1cc(cc(c1C)C)C 7a_100000230004_100000210202 [1,1,0,0,0,0|1,0,1]=4 2462 B12R1.40 CCOc1cc(cc(c1Cl)C)C 34a_100000094344_100000210202 [1,1,0,0,0,0|1,0,1]=4 2463 B12R1.40 CCOc1cc(cc(c1Cl)C)C 7a_100000094344_100000210202 [1,1,0,0,0,0|1,0,1]=4 2464 B12R1.40 CCOc1cc(cc(c1Cl)Cl)N 34a_100015839415_100000210202 [1,1,0,0,0,0|2,0,0]=4 2465 B12R1.40 CCOc1cc(cc(c1Cl)Cl)N 7a_100015839415_100000210202 [1,1,0,0,0,0|2,0,0]=4 2466 B12R1.40 CCOc1cc(cc(c1Cl)F)Br 34a_100010981968_100000210202 [1,1,0,0,0,0|2,0,0]=4 2467 B12R1.40 CCOc1cc(cc(c1Cl)F)Br 7a_100010981968_100000210202 [1,1,0,0,0,0|2,0,0]=4 2468 B12R1.40 CCOc1cc(cc(c1Cl)F)F 34a_200000037661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2469 B12R1.40 CCOc1cc(cc(c1Cl)F)F 7a_200000037661_100000210202 [1,1,0,0,0,0|2,0,0]=4 2470 B12R1.40 CCOc1cc(cc(c1F)Cl)Br 34a_100010077842_100000210202 [1,1,0,0,0,0|2,0,0]=4 2471 B12R1.40 CCOc1cc(cc(c1F)Cl)Br 7a_100010077842_100000210202 [1,1,0,0,0,0|2,0,0]=4 2472 B12R1.40 CCOc1cc(cc(c1F)F)Br 34a_100000709865_100000210202 [1,1,0,0,0,0|2,0,0]=4 2473 B12R1.40 CCOc1cc(cc(c1F)F)Br 7a_100000709865_100000210202 [1,1,0,0,0,0|2,0,0]=4 2474 B12R1.40 CCOc1cc(cc(c1F)F)F 34a_200011215507_100000210202 [1,1,0,0,0,0|2,0,0]=4 2475 B12R1.40 CCOc1cc(cc(c1F)F)F 7a_200011215507_100000210202 [1,1,0,0,0,0|2,0,0]=4 2476 B12R1.40 CCOc1cc(cc(c1F)F)O 271570a_203496583355_200012359421 [1,1,0,0,0,0|1,0,1]=4 2477 B12R1.40 CCOc1cc(cc(c1I)C)Cl 34a_100010254216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2478 B12R1.40 CCOc1cc(cc(c1I)C)Cl 7a_100010254216_100000210202 [1,1,0,0,0,0|2,0,0]=4 2479 B12R1.40 CCOc1cc(cc(c1N)Br)Cl 34a_100015696055_100000210202 [1,1,0,0,0,0|2,0,0]=4 2480 B12R1.40 CCOc1cc(cc(c1N)Br)Cl 7a_100015696055_100000210202 [1,1,0,0,0,0|2,0,0]=4 2481 B12R1.40 CCOc1cc(cc(c1N)C)Br 34a_100010371313_100000210202 [1,1,0,0,0,0|2,0,0]=4 2482 B12R1.40 CCOc1cc(cc(c1N)C)Br 7a_100010371313_100000210202 [1,1,0,0,0,0|2,0,0]=4 2483 B12R1.40 CCOc1cc(cc(c1N)Cl)C 34a_100015906060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2484 B12R1.40 CCOc1cc(cc(c1N)Cl)C 7a_100015906060_100000210202 [1,1,0,0,0,0|1,0,1]=4 2485 B12R1.40 CCOc1cc(cc(c1N)F)Br 34a_100015475841_100000210202 [1,1,0,0,0,0|2,0,0]=4 2486 B12R1.40 CCOc1cc(cc(c1N)F)Br 7a_100015475841_100000210202 [1,1,0,0,0,0|2,0,0]=4 2487 B12R1.40 CCOc1cc(cc(c1N)F)Cl 34a_100010883250_100000210202 [1,1,0,0,0,0|2,0,0]=4 2488 B12R1.40 CCOc1cc(cc(c1N)F)Cl 7a_100010883250_100000210202 [1,1,0,0,0,0|2,0,0]=4 2489 B12R1.40 CCOc1cc(cc(c1N)F)F 34a_100011217947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2490 B12R1.40 CCOc1cc(cc(c1N)F)F 7a_100011217947_100000210202 [1,1,0,0,0,0|2,0,0]=4 2491 B12R1.40 CCSc1cc(cc(c1O)Br)F 62a_100000210202_200013085147 [1,1,0,0,0,0|1,1,0]=4 2492 B12R1.40 CCSc1cc(cc(c1O)Br)F 62a_200013085147_100000210202 [1,1,0,0,0,0|1,1,0]=4 2493 B12R1.40 CCSc1cc(cc(c1O)C)C 62a_100000210202_100011934984 [1,1,0,0,0,0|0,1,1]=4 2494 B12R1.40 CCSc1cc(cc(c1O)C)C 62a_100011934984_100000210202 [1,1,0,0,0,0|0,1,1]=4 2495 B12R1.40 CCSc1cc(cc(c1O)C)Cl 62a_100000210202_100012343667 [1,1,0,0,0,0|1,1,0]=4 2496 B12R1.40 CCSc1cc(cc(c1O)C)Cl 62a_100012343667_100000210202 [1,1,0,0,0,0|1,1,0]=4 2497 B12R1.40 CCSc1cc(cc(c1O)C)N 62a_100000210202_100010064301 [1,1,0,0,0,0|1,1,0]=4 2498 B12R1.40 CCSc1cc(cc(c1O)C)N 62a_100010064301_100000210202 [1,1,0,0,0,0|1,1,0]=4 2499 B12R1.40 CCSc1cc(cc(c1O)Cl)Cl 62a_100000210202_200012339341 [1,1,0,0,0,0|1,1,0]=4 2500 B12R1.40 CCSc1cc(cc(c1O)Cl)Cl 62a_200012339341_100000210202 [1,1,0,0,0,0|1,1,0]=4 2501 B12R1.40 CCSc1cc(cc(c1O)F)Br 62a_100000210202_100013354677 [1,1,0,0,0,0|1,1,0]=4 2502 B12R1.40 CCSc1cc(cc(c1O)F)Br 62a_100013354677_100000210202 [1,1,0,0,0,0|1,1,0]=4 2503 B12R1.40 CCSc1cc(cc(c1O)F)C 62a_100000210202_200135191068 [1,1,0,0,0,0|0,1,1]=4 2504 B12R1.40 CCSc1cc(cc(c1O)F)C 62a_200135191068_100000210202 [1,1,0,0,0,0|0,1,1]=4 2505 B12R1.40 CCSc1cc(cc(c1O)F)F 62a_100000210202_100000688693 [1,1,0,0,0,0|1,1,0]=4 2506 B12R1.40 CCSc1cc(cc(c1O)F)F 62a_100000688693_100000210202 [1,1,0,0,0,0|1,1,0]=4 2507 B12R1.40 CCSc1cc(cc(c1O)N)Br 62a_100000210202_100016071998 [1,1,0,0,0,0|1,1,0]=4 2508 B12R1.40 CCSc1cc(cc(c1O)N)Br 62a_100016071998_100000210202 [1,1,0,0,0,0|1,1,0]=4 2509 B12R1.40 CCSc1cc(cc(c1O)N)F 62a_100000210202_200011217456 [1,1,0,0,0,0|1,1,0]=4 2510 B12R1.40 CCSc1cc(cc(c1O)N)F 62a_200011217456_100000210202 [1,1,0,0,0,0|1,1,0]=4 2511 B12R1.127 CC(=O)Oc1cc(ccc1O)F 271570a_203496583355_200015685721 [1,1,0,0,0,0|1,0,1]=4 2512 B12R1.127 CC(C)Nc1cc(ccc1O)Br 34a_100000752626_100000210206 [1,1,0,0,0,0|2,0,0]=4 2513 B12R1.127 CC(C)Nc1cc(ccc1O)Cl 34a_100000210500_100000210206 [1,1,0,0,0,0|2,0,0]=4 2514 B12R1.127 CC(C)Nc1cc(ccc1O)F 34a_100000759472_100000210206 [1,1,0,0,0,0|2,0,0]=4 2515 B12R1.127 CC(C)Oc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210206 [1,1,0,0,0,0|2,0,0]=4 2516 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 34a_100011220040_100000210206 [1,1,0,0,0,0|2,0,0]=4 2517 B12R1.127 CC(C)Oc1cc(ccc1Br)Br 7a_100011220040_100000210206 [1,1,0,0,0,0|2,0,0]=4 2518 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 34a_100012339455_100000210206 [1,1,0,0,0,0|2,0,0]=4 2519 B12R1.127 CC(C)Oc1cc(ccc1Br)Cl 7a_100012339455_100000210206 [1,1,0,0,0,0|2,0,0]=4 2520 B12R1.127 CC(C)Oc1cc(ccc1Br)F 34a_100000690578_100000210206 [1,1,0,0,0,0|2,0,0]=4 2521 B12R1.127 CC(C)Oc1cc(ccc1Br)F 7a_100000690578_100000210206 [1,1,0,0,0,0|2,0,0]=4 2522 B12R1.127 CC(C)Oc1cc(ccc1Br)I 34a_100012356990_100000210206 [1,1,0,0,0,0|2,0,0]=4 2523 B12R1.127 CC(C)Oc1cc(ccc1Br)I 7a_100012356990_100000210206 [1,1,0,0,0,0|2,0,0]=4 2524 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 34a_100000738945_100000210206 [1,1,0,0,0,0|2,0,0]=4 2525 B12R1.127 CC(C)Oc1cc(ccc1Cl)Br 7a_100000738945_100000210206 [1,1,0,0,0,0|2,0,0]=4 2526 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 34a_100000211422_100000210206 [1,1,0,0,0,0|2,0,0]=4 2527 B12R1.127 CC(C)Oc1cc(ccc1Cl)Cl 7a_100000211422_100000210206 [1,1,0,0,0,0|2,0,0]=4 2528 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 34a_100000692107_100000210206 [1,1,0,0,0,0|2,0,0]=4 2529 B12R1.127 CC(C)Oc1cc(ccc1Cl)F 7a_100000692107_100000210206 [1,1,0,0,0,0|2,0,0]=4 2530 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 34a_100011356854_100000210206 [1,1,0,0,0,0|2,0,0]=4 2531 B12R1.127 CC(C)Oc1cc(ccc1Cl)I 7a_100011356854_100000210206 [1,1,0,0,0,0|2,0,0]=4 2532 B12R1.127 CC(C)Oc1cc(ccc1Cl)N 34a_100011934209_100000210206 [1,1,0,0,0,0|2,0,0]=4 2533 B12R1.127 CC(C)Oc1cc(ccc1F)Br 34a_100000686035_100000210206 [1,1,0,0,0,0|2,0,0]=4 2534 B12R1.127 CC(C)Oc1cc(ccc1F)Br 7a_100000686035_100000210206 [1,1,0,0,0,0|2,0,0]=4 2535 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 34a_100000757397_100000210206 [1,1,0,0,0,0|2,0,0]=4 2536 B12R1.127 CC(C)Oc1cc(ccc1F)Cl 7a_100000757397_100000210206 [1,1,0,0,0,0|2,0,0]=4 2537 B12R1.127 CC(C)Oc1cc(ccc1F)F 34a_100000752141_100000210206 [1,1,0,0,0,0|2,0,0]=4 2538 B12R1.127 CC(C)Oc1cc(ccc1F)F 7a_100000752141_100000210206 [1,1,0,0,0,0|2,0,0]=4 2539 B12R1.127 CC(C)Oc1cc(ccc1F)I 34a_100009958187_100000210206 [1,1,0,0,0,0|2,0,0]=4 2540 B12R1.127 CC(C)Oc1cc(ccc1F)I 7a_100009958187_100000210206 [1,1,0,0,0,0|2,0,0]=4 2541 B12R1.127 CC(C)Oc1cc(ccc1F)N 34a_100012017398_100000210206 [1,1,0,0,0,0|2,0,0]=4 2542 B12R1.127 CC(C)Oc1cc(ccc1F)N 7a_100012017398_100000210206 [1,1,0,0,0,0|2,0,0]=4 2543 B12R1.127 CC(C)Oc1cc(ccc1F)O 271570a_203496583355_200012350295 [1,1,0,0,0,0|1,0,1]=4 2544 B12R1.127 CC(C)Oc1cc(ccc1I)Br 34a_100012344904_100000210206 [1,1,0,0,0,0|2,0,0]=4 2545 B12R1.127 CC(C)Oc1cc(ccc1I)Br 7a_100012344904_100000210206 [1,1,0,0,0,0|2,0,0]=4 2546 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 34a_100000050036_100000210206 [1,1,0,0,0,0|2,0,0]=4 2547 B12R1.127 CC(C)Oc1cc(ccc1I)Cl 7a_100000050036_100000210206 [1,1,0,0,0,0|2,0,0]=4 2548 B12R1.127 CC(C)Oc1cc(ccc1I)F 34a_100010084537_100000210206 [1,1,0,0,0,0|2,0,0]=4 2549 B12R1.127 CC(C)Oc1cc(ccc1I)F 7a_100010084537_100000210206 [1,1,0,0,0,0|2,0,0]=4 2550 B12R1.127 CC(C)Oc1cc(ccc1N)Br 34a_100000739049_100000210206 [1,1,0,0,0,0|2,0,0]=4 2551 B12R1.127 CC(C)Oc1cc(ccc1N)Br 7a_100000739049_100000210206 [1,1,0,0,0,0|2,0,0]=4 2552 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 34a_100000185728_100000210206 [1,1,0,0,0,0|2,0,0]=4 2553 B12R1.127 CC(C)Oc1cc(ccc1N)Cl 7a_100000185728_100000210206 [1,1,0,0,0,0|2,0,0]=4 2554 B12R1.127 CC(C)Oc1cc(ccc1N)F 34a_100000753323_100000210206 [1,1,0,0,0,0|2,0,0]=4 2555 B12R1.127 CC(C)Oc1cc(ccc1N)F 7a_100000753323_100000210206 [1,1,0,0,0,0|2,0,0]=4 2556 B12R1.127 CC(C)Oc1cc(ccc1N)I 34a_100000057187_100000210206 [1,1,0,0,0,0|2,0,0]=4 2557 B12R1.127 CC(C)Oc1cc(ccc1N)I 7a_100000057187_100000210206 [1,1,0,0,0,0|2,0,0]=4 2558 B12R1.127 CC(C)Oc1cc(ccc1N)N 34a_100025717382_100000210206 [1,1,0,0,0,0|2,0,0]=4 2559 B12R1.127 CC(C)Oc1cc(ccc1O)F 271570a_203496583355_200012359391 [1,1,0,0,0,0|1,0,0]=3 2560 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100000210206_100012355227 [1,1,0,0,0,0|1,1,0]=4 2561 B12R1.127 CC(C)Sc1cc(ccc1O)Br 62a_100012355227_100000210206 [1,1,0,0,0,0|1,1,0]=4 2562 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100000210206_100011356953 [1,1,0,0,0,0|1,1,0]=4 2563 B12R1.127 CC(C)Sc1cc(ccc1O)Cl 62a_100011356953_100000210206 [1,1,0,0,0,0|1,1,0]=4 2564 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000210206_100000211999 [1,1,0,0,0,0|1,1,0]=4 2565 B12R1.127 CC(C)Sc1cc(ccc1O)F 62a_100000211999_100000210206 [1,1,0,0,0,0|1,1,0]=4 2566 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100000210206_100011534360 [1,1,0,0,0,0|1,1,0]=4 2567 B12R1.127 CC(C)Sc1cc(ccc1O)N 62a_100011534360_100000210206 [1,1,0,0,0,0|1,1,0]=4 2568 B12R1.127 CC(C)Sc1cc(ccc1O)O 62a_100000210206_100009813629 [1,1,0,0,0,0|0,1,1]=4 2569 B12R1.127 Cc1ccc(c(c1)NC(C)C)O 34a_100011215204_100000210206 [1,1,0,0,0,0|1,0,1]=4 2570 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 34a_100012002257_100000210206 [1,1,0,0,0,0|1,0,1]=4 2571 B12R1.127 Cc1ccc(c(c1)OC(C)C)Br 7a_100012002257_100000210206 [1,1,0,0,0,0|1,0,1]=4 2572 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 34a_100000210931_100000210206 [1,1,0,0,0,0|1,0,1]=4 2573 B12R1.127 Cc1ccc(c(c1)OC(C)C)C 7a_100000210931_100000210206 [1,1,0,0,0,0|1,0,1]=4 2574 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 34a_100000211493_100000210206 [1,1,0,0,0,0|1,0,1]=4 2575 B12R1.127 Cc1ccc(c(c1)OC(C)C)Cl 7a_100000211493_100000210206 [1,1,0,0,0,0|1,0,1]=4 2576 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 34a_100000759540_100000210206 [1,1,0,0,0,0|1,0,1]=4 2577 B12R1.127 Cc1ccc(c(c1)OC(C)C)F 7a_100000759540_100000210206 [1,1,0,0,0,0|1,0,1]=4 2578 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 34a_100000211527_100000210206 [1,1,0,0,0,0|1,0,1]=4 2579 B12R1.127 Cc1ccc(c(c1)OC(C)C)N 7a_100000211527_100000210206 [1,1,0,0,0,0|1,0,1]=4 2580 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000210206_100000765521 [1,1,0,0,0,0|0,1,1]=4 2581 B12R1.127 Cc1ccc(c(c1)SC(C)C)O 62a_100000765521_100000210206 [1,1,0,0,0,0|0,1,1]=4 2582 B12R1.127 Cc1ccc(cc1OC(C)C)Br 34a_100000685420_100000210206 [1,1,0,0,0,0|2,0,0]=4 2583 B12R1.127 Cc1ccc(cc1OC(C)C)Br 7a_100000685420_100000210206 [1,1,0,0,0,0|2,0,0]=4 2584 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 34a_100000756515_100000210206 [1,1,0,0,0,0|2,0,0]=4 2585 B12R1.127 Cc1ccc(cc1OC(C)C)Cl 7a_100000756515_100000210206 [1,1,0,0,0,0|2,0,0]=4 2586 B12R1.127 Cc1ccc(cc1OC(C)C)F 34a_100000690566_100000210206 [1,1,0,0,0,0|2,0,0]=4 2587 B12R1.127 Cc1ccc(cc1OC(C)C)F 7a_100000690566_100000210206 [1,1,0,0,0,0|2,0,0]=4 2588 B12R1.127 Cc1ccc(cc1OC(C)C)I 7a_100000766334_100000210206 [1,1,0,0,0,0|2,0,0]=4 2589 B12R1.127 Cc1ccc(cc1OC(C)C)N 34a_100000759471_100000210206 [1,1,0,0,0,0|2,0,0]=4 2590 B12R1.127 Cc1ccc(cc1OC(C)C)N 7a_100000759471_100000210206 [1,1,0,0,0,0|2,0,0]=4 2591 B12R1.127 Cc1ccc(cc1OC(C)C)O 271570a_203496583355_200012359587 [1,1,0,0,0,0|1,0,1]=4 2592 B12R1.127 Oc1ccc(cc1OC(F)F)F 271570a_203496583355_100000727826 [1,1,0,0,0,0|2,0,0]=4 2593 B12R1.268 C=Cc1ccc(cc1OCC)C 271570a_100011290941_200010713166 [1,1,0,0,0,0|1,0,1]=4 2594 B12R1.268 C=Cc1ccc(cc1OCC)F 271570a_100011290941_200012340411 [1,1,0,0,0,0|2,0,0]=4 2595 B12R1.268 C=Cc1ccc(cc1OCC)N 271570a_100011290941_200016990551 [1,1,0,0,0,0|2,0,0]=4 2596 B12R1.268 CCNc1cc(ccc1CO)Br 34a_100000718831_100000210202 [1,1,0,0,0,0|2,0,0]=4 2597 B12R1.268 CCNc1cc(ccc1CO)C 34a_100000087799_100000210202 [1,1,0,0,0,0|1,0,1]=4 2598 B12R1.268 CCNc1cc(ccc1CO)Cl 34a_100000238622_100000210202 [1,1,0,0,0,0|2,0,0]=4 2599 B12R1.268 CCNc1cc(ccc1CO)F 34a_100011996588_100000210202 [1,1,0,0,0,0|2,0,0]=4 2600 B12R1.268 CCNc1cc(ccc1OC)Br 34a_100000743470_100000210202 [1,1,0,0,0,0|2,0,0]=4 2601 B12R1.268 CCNc1cc(ccc1OC)C 2230a_100000210980_100000210202 [1,1,0,0,0,0|1,0,1]=4 2602 B12R1.268 CCNc1cc(ccc1OC)C 34a_100000210980_100000210202 [1,1,0,0,0,0|1,0,1]=4 2603 B12R1.268 CCNc1cc(ccc1OC)Cl 34a_100000182114_100000210202 [1,1,0,0,0,0|2,0,0]=4 2604 B12R1.268 CCNc1cc(ccc1OC)F 34a_100000757179_100000210202 [1,1,0,0,0,0|2,0,0]=4 2605 B12R1.268 CCOc1cc(ccc1C#N)Br 34a_100011934713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2606 B12R1.268 CCOc1cc(ccc1C#N)Br 7a_100011934713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2607 B12R1.268 CCOc1cc(ccc1C#N)C 34a_100011640519_100000210202 [1,1,0,0,0,0|1,0,1]=4 2608 B12R1.268 CCOc1cc(ccc1C#N)C 7a_100011640519_100000210202 [1,1,0,0,0,0|1,0,1]=4 2609 B12R1.268 CCOc1cc(ccc1C#N)Cl 34a_100000688488_100000210202 [1,1,0,0,0,0|2,0,0]=4 2610 B12R1.268 CCOc1cc(ccc1C#N)Cl 7a_100000688488_100000210202 [1,1,0,0,0,0|2,0,0]=4 2611 B12R1.268 CCOc1cc(ccc1C#N)F 34a_100012185923_100000210202 [1,1,0,0,0,0|2,0,0]=4 2612 B12R1.268 CCOc1cc(ccc1C#N)F 7a_100012185923_100000210202 [1,1,0,0,0,0|2,0,0]=4 2613 B12R1.268 CCOc1cc(ccc1C#N)N 34a_100000094571_100000210202 [1,1,0,0,0,0|2,0,0]=4 2614 B12R1.268 CCOc1cc(ccc1C#N)N 7a_100000094571_100000210202 [1,1,0,0,0,0|2,0,0]=4 2615 B12R1.268 CCOc1cc(ccc1C#N)O 271570a_203496583355_100013120067 [1,1,0,0,0,0|1,0,1]=4 2616 B12R1.268 CCOc1cc(ccc1CO)Br 34a_100000071718_100000210202 [1,1,0,0,0,0|1,0,0]=3 2617 B12R1.268 CCOc1cc(ccc1CO)Br 7a_100000071718_100000210202 [1,1,0,0,0,0|1,0,0]=3 2618 B12R1.268 CCOc1cc(ccc1NC)Br 2230a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2619 B12R1.268 CCOc1cc(ccc1NC)Br 34a_100000688918_200000210301 [1,1,0,0,0,0|2,0,0]=4 2620 B12R1.268 CCOc1cc(ccc1NC)C 2230a_100000742043_200000210301 [1,1,0,0,0,0|1,0,1]=4 2621 B12R1.268 CCOc1cc(ccc1NC)C 34a_100000742043_200000210301 [1,1,0,0,0,0|1,0,1]=4 2622 B12R1.268 CCOc1cc(ccc1NC)Cl 34a_100000687649_200000210301 [1,1,0,0,0,0|2,0,0]=4 2623 B12R1.268 CCOc1cc(ccc1NC)F 2230a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2624 B12R1.268 CCOc1cc(ccc1NC)F 34a_100000741351_200000210301 [1,1,0,0,0,0|2,0,0]=4 2625 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 2230a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2626 B12R1.268 CCOc1cc(ccc1N[13CH3])Br 34a_100000688918_200025704644 [1,1,0,0,0,0|2,0,0]=4 2627 B12R1.268 CCOc1cc(ccc1N[13CH3])C 2230a_100000742043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2628 B12R1.268 CCOc1cc(ccc1N[13CH3])C 34a_100000742043_200025704644 [1,1,0,0,0,0|1,0,1]=4 2629 B12R1.268 CCOc1cc(ccc1N[13CH3])Cl 34a_100000687649_200025704644 [1,1,0,0,0,0|2,0,0]=4 2630 B12R1.268 CCOc1cc(ccc1N[13CH3])F 2230a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2631 B12R1.268 CCOc1cc(ccc1N[13CH3])F 34a_100000741351_200025704644 [1,1,0,0,0,0|2,0,0]=4 2632 B12R1.268 CCOc1cc(ccc1OC)Br 34a_100009816560_100000210202 [1,1,0,0,0,0|1,0,0]=3 2633 B12R1.268 CCOc1cc(ccc1OC)Br 7a_100009816560_100000210202 [1,1,0,0,0,0|1,0,0]=3 2634 B12R1.268 CCOc1cc(ccc1OC)C 34a_100011216497_100000210202 [1,1,0,0,0,0|0,0,1]=3 2635 B12R1.268 CCOc1cc(ccc1OC)C 34a_200000034294_200000210301 [1,1,0,0,0,0|0,0,1]=3 2636 B12R1.268 CCOc1cc(ccc1OC)C 7a_100011216497_100000210202 [1,1,0,0,0,0|0,0,1]=3 2637 B12R1.268 CCOc1cc(ccc1OC)C 7a_200000034294_200000210301 [1,1,0,0,0,0|0,0,1]=3 2638 B12R1.268 CCOc1cc(ccc1OC)Cl 34a_100000101779_100000210202 [1,1,0,0,0,0|1,0,0]=3 2639 B12R1.268 CCOc1cc(ccc1OC)Cl 7a_100000101779_100000210202 [1,1,0,0,0,0|1,0,0]=3 2640 B12R1.268 CCOc1cc(ccc1OC)F 34a_100000034962_100000210202 [1,1,0,0,0,0|1,0,0]=3 2641 B12R1.268 CCOc1cc(ccc1OC)F 7a_100000034962_100000210202 [1,1,0,0,0,0|1,0,0]=3 2642 B12R1.268 CCOc1cc(ccc1OC)N 34a_100000211920_100000210202 [1,1,0,0,0,0|1,0,0]=3 2643 B12R1.268 CCOc1cc(ccc1OC)O 271570a_203496583355_200010219349 [1,1,0,0,0,0|0,0,1]=3 2644 B12R1.268 CCOc1cc(ccc1O[13CH3])C 34a_200000034294_200025704644 [1,1,0,0,0,0|0,0,1]=3 2645 B12R1.268 CCOc1cc(ccc1O[13CH3])C 7a_200000034294_200025704644 [1,1,0,0,0,0|0,0,1]=3 2646 B12R1.268 CCOc1cc(ccc1SC)C 62a_200000210301_200010713166 [1,1,0,0,0,0|0,1,1]=4 2647 B12R1.268 CCOc1cc(ccc1SC)C 62a_200010713166_200000210301 [1,1,0,0,0,0|0,1,1]=4 2648 B12R1.268 CCOc1cc(ccc1SC)F 62a_200000210301_200012340411 [1,1,0,0,0,0|1,1,0]=4 2649 B12R1.268 CCOc1cc(ccc1SC)F 62a_200012340411_200000210301 [1,1,0,0,0,0|1,1,0]=4 2650 B12R1.268 CCOc1cc(ccc1SC)N 62a_200000210301_200016990551 [1,1,0,0,0,0|1,1,0]=4 2651 B12R1.268 CCOc1cc(ccc1SC)N 62a_200016990551_200000210301 [1,1,0,0,0,0|1,1,0]=4 2652 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200010713166_200025704644 [1,1,0,0,0,0|0,1,1]=4 2653 B12R1.268 CCOc1cc(ccc1S[13CH3])C 62a_200025704644_200010713166 [1,1,0,0,0,0|0,1,1]=4 2654 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200012340411_200025704644 [1,1,0,0,0,0|1,1,0]=4 2655 B12R1.268 CCOc1cc(ccc1S[13CH3])F 62a_200025704644_200012340411 [1,1,0,0,0,0|1,1,0]=4 2656 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200016990551_200025704644 [1,1,0,0,0,0|1,1,0]=4 2657 B12R1.268 CCOc1cc(ccc1S[13CH3])N 62a_200025704644_200016990551 [1,1,0,0,0,0|1,1,0]=4 2658 B12R1.268 CCOc1cc(cnc1OC)Br 34a_100010135713_100000210202 [1,1,0,0,0,0|2,0,0]=4 2659 B12R1.268 CCOc1cc(ncc1OC)Br 34a_100010264082_100000210202 [1,1,0,0,0,0|2,0,0]=4 2660 B12R1.268 CCOc1cc(ncc1OC)Cl 34a_100009849459_100000210202 [1,1,0,0,0,0|2,0,0]=4 2661 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100000210202_100121573661 [1,1,0,0,0,0|1,1,0]=4 2662 B12R1.268 CCSc1cc(=O)[nH]cc1OC 62a_100121573661_100000210202 [1,1,0,0,0,0|1,1,0]=4 2663 B12R1.268 CCSc1cc(ccc1CO)Br 62a_100000210202_100010146605 [1,1,0,0,0,0|1,1,0]=4 2664 B12R1.268 CCSc1cc(ccc1CO)Br 62a_100010146605_100000210202 [1,1,0,0,0,0|1,1,0]=4 2665 B12R1.268 CCSc1cc(ccc1CO)Cl 62a_100000210202_100000722340 [1,1,0,0,0,0|1,1,0]=4 2666 B12R1.268 CCSc1cc(ccc1CO)Cl 62a_100000722340_100000210202 [1,1,0,0,0,0|1,1,0]=4 2667 B12R1.268 CCSc1cc(ccc1CO)F 62a_100000210202_100000744086 [1,1,0,0,0,0|1,1,0]=4 2668 B12R1.268 CCSc1cc(ccc1CO)F 62a_100000744086_100000210202 [1,1,0,0,0,0|1,1,0]=4 2669 B12R1.268 CCSc1cc(ccc1CO)O 62a_100000210202_100010146404 [1,1,0,0,0,0|0,1,1]=4 2670 B12R1.268 CCSc1cc(ccc1CO)O 62a_100010146404_100000210202 [1,1,0,0,0,0|0,1,1]=4 2671 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100000210202_100012351588 [1,1,0,0,0,0|1,1,0]=4 2672 B12R1.268 CCSc1cc(ccc1OC)Br 62a_100012351588_100000210202 [1,1,0,0,0,0|1,1,0]=4 2673 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000186399_100000210202 [1,1,0,0,0,0|0,1,1]=4 2674 B12R1.268 CCSc1cc(ccc1OC)C 62a_100000210202_100000186399 [1,1,0,0,0,0|0,1,1]=4 2675 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100000210202_100011215930 [1,1,0,0,0,0|1,1,0]=4 2676 B12R1.268 CCSc1cc(ccc1OC)Cl 62a_100011215930_100000210202 [1,1,0,0,0,0|1,1,0]=4 2677 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000171694_100000210202 [1,1,0,0,0,0|1,1,0]=4 2678 B12R1.268 CCSc1cc(ccc1OC)F 62a_100000210202_100000171694 [1,1,0,0,0,0|1,1,0]=4 2679 B12R1.268 CCSc1cc(ccc1OC)N 62a_100000210202_100011356947 [1,1,0,0,0,0|1,1,0]=4 2680 B12R1.268 CCSc1cc(ccc1OC)N 62a_100011356947_100000210202 [1,1,0,0,0,0|1,1,0]=4 2681 B12R1.268 CCSc1cc(ccc1OC)O 62a_100000210202_100010234764 [1,1,0,0,0,0|0,1,1]=4 2682 B12R1.268 CCSc1cc(ccc1OC)O 62a_100010234764_100000210202 [1,1,0,0,0,0|0,1,1]=4 2683 B12R1.268 COc1ccc(cc1OCF)Br 34a_100009816560_100015361967 [1,1,0,0,0,0|2,0,0]=4 2684 B12R1.268 COc1ccc(cc1OCF)Br 7a_100009816560_100015361967 [1,1,0,0,0,0|2,0,0]=4 2685 B12R1.268 COc1ccc(cc1OCF)C 34a_100011216497_100015361967 [1,1,0,0,0,0|1,0,1]=4 2686 B12R1.268 COc1ccc(cc1OCF)C 7a_100011216497_100015361967 [1,1,0,0,0,0|1,0,1]=4 2687 B12R1.268 COc1ccc(cc1OCF)Cl 34a_100000101779_100015361967 [1,1,0,0,0,0|2,0,0]=4 2688 B12R1.268 COc1ccc(cc1OCF)Cl 7a_100000101779_100015361967 [1,1,0,0,0,0|2,0,0]=4 2689 B12R1.268 COc1ccc(cc1OCF)F 34a_100000034962_100015361967 [1,1,0,0,0,0|2,0,0]=4 2690 B12R1.268 COc1ccc(cc1OCF)F 7a_100000034962_100015361967 [1,1,0,0,0,0|2,0,0]=4 2691 B12R1.268 COc1ccc(cc1OCF)N 34a_100000211920_100015361967 [1,1,0,0,0,0|2,0,0]=4 2692 B12R1.268 OCc1ccc(cc1OCF)Br 34a_100000071718_100015361967 [1,1,0,0,0,0|2,0,0]=4 2693 B12R1.268 OCc1ccc(cc1OCF)Br 7a_100000071718_100015361967 [1,1,0,0,0,0|2,0,0]=4 2694 B12R1.354 CCC(=O)c1cc(ccc1O)Br 1458a_100000212140_100000210202 [1,1,0,0,0,0|2,0,0]=4 2695 B12R1.354 CCC(=O)c1cc(ccc1O)C 1458a_100000229998_100000210202 [1,1,0,0,0,0|1,0,1]=4 2696 B12R1.354 CCC(=O)c1cc(ccc1O)Cl 1458a_100000212143_100000210202 [1,1,0,0,0,0|2,0,0]=4 2697 B12R1.354 CCC(=O)c1cc(ccc1O)F 1458a_100000742286_100000210202 [1,1,0,0,0,0|2,0,0]=4 2698 B12R1.354 CCC(=O)c1cc(ccc1O)I 1458a_100000212111_100000210202 [1,1,0,0,0,0|2,0,0]=4 2699 B12R1.354 CCC(=O)c1cc(ccc1O)O 1458a_100000758025_100000210202 [1,1,0,0,0,0|1,0,1]=4 2700 B12R1.354 CCC(=O)c1cc(ccc1O)O 271570a_203496583355_100000183607 [1,1,0,0,0,0|1,0,1]=4 2701 B12R1.374 CCCCc1cc(ccc1O)Br 271570a_100020621405_100012355227 [1,1,0,0,0,0|2,0,0]=4 2702 B12R1.374 CCCCc1cc(ccc1O)C 271570a_100020621405_100000765521 [1,1,0,0,0,0|1,0,1]=4 2703 B12R1.374 CCCCc1cc(ccc1O)Cl 271570a_100020621405_100011356953 [1,1,0,0,0,0|2,0,0]=4 2704 B12R1.374 CCCCc1cc(ccc1O)F 271570a_100020621405_100000211999 [1,1,0,0,0,0|2,0,0]=4 2705 B12R1.374 CCCCc1cc(ccc1O)N 271570a_100020621405_100011534360 [1,1,0,0,0,0|2,0,0]=4 2706 B12R1.374 CCCCc1cc(ccc1O)O 271570a_100020621405_100009813629 [1,1,0,0,0,0|1,0,1]=4 2707 B12R1.374 CCCNc1cc(ccc1O)Br 34a_100000752626_100000210303 [1,1,0,0,0,0|2,0,0]=4 2708 B12R1.374 CCCNc1cc(ccc1O)C 34a_100011215204_100000210303 [1,1,0,0,0,0|1,0,1]=4 2709 B12R1.374 CCCNc1cc(ccc1O)Cl 34a_100000210500_100000210303 [1,1,0,0,0,0|2,0,0]=4 2710 B12R1.374 CCCNc1cc(ccc1O)F 34a_100000759472_100000210303 [1,1,0,0,0,0|2,0,0]=4 2711 B12R1.374 CCCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100000210303 [1,1,0,0,0,0|2,0,0]=4 2712 B12R1.374 CCCOc1cc(ccc1Br)Br 34a_100011220040_100000210303 [1,1,0,0,0,0|2,0,0]=4 2713 B12R1.374 CCCOc1cc(ccc1Br)Br 7a_100011220040_100000210303 [1,1,0,0,0,0|2,0,0]=4 2714 B12R1.374 CCCOc1cc(ccc1Br)C 34a_100012002257_100000210303 [1,1,0,0,0,0|1,0,1]=4 2715 B12R1.374 CCCOc1cc(ccc1Br)C 7a_100012002257_100000210303 [1,1,0,0,0,0|1,0,1]=4 2716 B12R1.374 CCCOc1cc(ccc1Br)Cl 34a_100012339455_100000210303 [1,1,0,0,0,0|2,0,0]=4 2717 B12R1.374 CCCOc1cc(ccc1Br)Cl 7a_100012339455_100000210303 [1,1,0,0,0,0|2,0,0]=4 2718 B12R1.374 CCCOc1cc(ccc1Br)F 34a_100000690578_100000210303 [1,1,0,0,0,0|2,0,0]=4 2719 B12R1.374 CCCOc1cc(ccc1Br)F 7a_100000690578_100000210303 [1,1,0,0,0,0|2,0,0]=4 2720 B12R1.374 CCCOc1cc(ccc1Br)I 34a_100012356990_100000210303 [1,1,0,0,0,0|2,0,0]=4 2721 B12R1.374 CCCOc1cc(ccc1Br)I 7a_100012356990_100000210303 [1,1,0,0,0,0|2,0,0]=4 2722 B12R1.374 CCCOc1cc(ccc1C)Br 34a_100000685420_100000210303 [1,1,0,0,0,0|2,0,0]=4 2723 B12R1.374 CCCOc1cc(ccc1C)Br 7a_100000685420_100000210303 [1,1,0,0,0,0|2,0,0]=4 2724 B12R1.374 CCCOc1cc(ccc1C)C 34a_100000210931_100000210303 [1,1,0,0,0,0|1,0,1]=4 2725 B12R1.374 CCCOc1cc(ccc1C)C 7a_100000210931_100000210303 [1,1,0,0,0,0|1,0,1]=4 2726 B12R1.374 CCCOc1cc(ccc1C)Cl 34a_100000756515_100000210303 [1,1,0,0,0,0|2,0,0]=4 2727 B12R1.374 CCCOc1cc(ccc1C)Cl 7a_100000756515_100000210303 [1,1,0,0,0,0|2,0,0]=4 2728 B12R1.374 CCCOc1cc(ccc1C)F 34a_100000690566_100000210303 [1,1,0,0,0,0|2,0,0]=4 2729 B12R1.374 CCCOc1cc(ccc1C)F 7a_100000690566_100000210303 [1,1,0,0,0,0|2,0,0]=4 2730 B12R1.374 CCCOc1cc(ccc1C)I 7a_100000766334_100000210303 [1,1,0,0,0,0|2,0,0]=4 2731 B12R1.374 CCCOc1cc(ccc1C)N 34a_100000759471_100000210303 [1,1,0,0,0,0|2,0,0]=4 2732 B12R1.374 CCCOc1cc(ccc1C)N 7a_100000759471_100000210303 [1,1,0,0,0,0|2,0,0]=4 2733 B12R1.374 CCCOc1cc(ccc1Cl)Br 34a_100000738945_100000210303 [1,1,0,0,0,0|2,0,0]=4 2734 B12R1.374 CCCOc1cc(ccc1Cl)Br 7a_100000738945_100000210303 [1,1,0,0,0,0|2,0,0]=4 2735 B12R1.374 CCCOc1cc(ccc1Cl)C 34a_100000211493_100000210303 [1,1,0,0,0,0|1,0,1]=4 2736 B12R1.374 CCCOc1cc(ccc1Cl)C 7a_100000211493_100000210303 [1,1,0,0,0,0|1,0,1]=4 2737 B12R1.374 CCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2738 B12R1.374 CCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000210303 [1,1,0,0,0,0|2,0,0]=4 2739 B12R1.374 CCCOc1cc(ccc1Cl)F 34a_100000692107_100000210303 [1,1,0,0,0,0|2,0,0]=4 2740 B12R1.374 CCCOc1cc(ccc1Cl)F 7a_100000692107_100000210303 [1,1,0,0,0,0|2,0,0]=4 2741 B12R1.374 CCCOc1cc(ccc1Cl)I 34a_100011356854_100000210303 [1,1,0,0,0,0|2,0,0]=4 2742 B12R1.374 CCCOc1cc(ccc1Cl)I 7a_100011356854_100000210303 [1,1,0,0,0,0|2,0,0]=4 2743 B12R1.374 CCCOc1cc(ccc1Cl)N 34a_100011934209_100000210303 [1,1,0,0,0,0|2,0,0]=4 2744 B12R1.374 CCCOc1cc(ccc1F)Br 34a_100000686035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2745 B12R1.374 CCCOc1cc(ccc1F)Br 7a_100000686035_100000210303 [1,1,0,0,0,0|2,0,0]=4 2746 B12R1.374 CCCOc1cc(ccc1F)C 34a_100000759540_100000210303 [1,1,0,0,0,0|1,0,1]=4 2747 B12R1.374 CCCOc1cc(ccc1F)C 7a_100000759540_100000210303 [1,1,0,0,0,0|1,0,1]=4 2748 B12R1.374 CCCOc1cc(ccc1F)Cl 34a_100000757397_100000210303 [1,1,0,0,0,0|2,0,0]=4 2749 B12R1.374 CCCOc1cc(ccc1F)Cl 7a_100000757397_100000210303 [1,1,0,0,0,0|2,0,0]=4 2750 B12R1.374 CCCOc1cc(ccc1F)F 34a_100000752141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2751 B12R1.374 CCCOc1cc(ccc1F)F 7a_100000752141_100000210303 [1,1,0,0,0,0|2,0,0]=4 2752 B12R1.374 CCCOc1cc(ccc1F)I 34a_100009958187_100000210303 [1,1,0,0,0,0|2,0,0]=4 2753 B12R1.374 CCCOc1cc(ccc1F)I 7a_100009958187_100000210303 [1,1,0,0,0,0|2,0,0]=4 2754 B12R1.374 CCCOc1cc(ccc1F)N 34a_100012017398_100000210303 [1,1,0,0,0,0|2,0,0]=4 2755 B12R1.374 CCCOc1cc(ccc1F)N 7a_100012017398_100000210303 [1,1,0,0,0,0|2,0,0]=4 2756 B12R1.374 CCCOc1cc(ccc1I)Br 34a_100012344904_100000210303 [1,1,0,0,0,0|2,0,0]=4 2757 B12R1.374 CCCOc1cc(ccc1I)Br 7a_100012344904_100000210303 [1,1,0,0,0,0|2,0,0]=4 2758 B12R1.374 CCCOc1cc(ccc1I)Cl 34a_100000050036_100000210303 [1,1,0,0,0,0|2,0,0]=4 2759 B12R1.374 CCCOc1cc(ccc1I)Cl 7a_100000050036_100000210303 [1,1,0,0,0,0|2,0,0]=4 2760 B12R1.374 CCCOc1cc(ccc1I)F 34a_100010084537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2761 B12R1.374 CCCOc1cc(ccc1I)F 7a_100010084537_100000210303 [1,1,0,0,0,0|2,0,0]=4 2762 B12R1.374 CCCOc1cc(ccc1N)Br 34a_100000739049_100000210303 [1,1,0,0,0,0|2,0,0]=4 2763 B12R1.374 CCCOc1cc(ccc1N)Br 7a_100000739049_100000210303 [1,1,0,0,0,0|2,0,0]=4 2764 B12R1.374 CCCOc1cc(ccc1N)C 34a_100000211527_100000210303 [1,1,0,0,0,0|1,0,1]=4 2765 B12R1.374 CCCOc1cc(ccc1N)C 7a_100000211527_100000210303 [1,1,0,0,0,0|1,0,1]=4 2766 B12R1.374 CCCOc1cc(ccc1N)Cl 34a_100000185728_100000210303 [1,1,0,0,0,0|2,0,0]=4 2767 B12R1.374 CCCOc1cc(ccc1N)Cl 7a_100000185728_100000210303 [1,1,0,0,0,0|2,0,0]=4 2768 B12R1.374 CCCOc1cc(ccc1N)F 34a_100000753323_100000210303 [1,1,0,0,0,0|2,0,0]=4 2769 B12R1.374 CCCOc1cc(ccc1N)F 7a_100000753323_100000210303 [1,1,0,0,0,0|2,0,0]=4 2770 B12R1.374 CCCOc1cc(ccc1N)I 34a_100000057187_100000210303 [1,1,0,0,0,0|2,0,0]=4 2771 B12R1.374 CCCOc1cc(ccc1N)I 7a_100000057187_100000210303 [1,1,0,0,0,0|2,0,0]=4 2772 B12R1.374 CCCOc1cc(ccc1N)N 34a_100025717382_100000210303 [1,1,0,0,0,0|2,0,0]=4 2773 B12R1.374 CCCOc1cc(ccc1O)F 271570a_203496583355_200012344540 [1,1,0,0,0,0|1,0,0]=3 2774 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100000210303_100012355227 [1,1,0,0,0,0|1,1,0]=4 2775 B12R1.374 CCCSc1cc(ccc1O)Br 62a_100012355227_100000210303 [1,1,0,0,0,0|1,1,0]=4 2776 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000210303_100000765521 [1,1,0,0,0,0|0,1,1]=4 2777 B12R1.374 CCCSc1cc(ccc1O)C 62a_100000765521_100000210303 [1,1,0,0,0,0|0,1,1]=4 2778 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100000210303_100011356953 [1,1,0,0,0,0|1,1,0]=4 2779 B12R1.374 CCCSc1cc(ccc1O)Cl 62a_100011356953_100000210303 [1,1,0,0,0,0|1,1,0]=4 2780 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000210303_100000211999 [1,1,0,0,0,0|1,1,0]=4 2781 B12R1.374 CCCSc1cc(ccc1O)F 62a_100000211999_100000210303 [1,1,0,0,0,0|1,1,0]=4 2782 B12R1.374 CCCSc1cc(ccc1O)N 62a_100000210303_100011534360 [1,1,0,0,0,0|1,1,0]=4 2783 B12R1.374 CCCSc1cc(ccc1O)N 62a_100011534360_100000210303 [1,1,0,0,0,0|1,1,0]=4 2784 B12R1.374 CCCSc1cc(ccc1O)O 62a_100000210303_100009813629 [1,1,0,0,0,0|0,1,1]=4 2785 B12R1.374 CCNCc1cc(ccc1O)Br 34a_100000730032_100000210202 [1,1,0,0,0,0|2,0,0]=4 2786 B12R1.374 CCNCc1cc(ccc1O)Cl 34a_100000238540_100000210202 [1,1,0,0,0,0|2,0,0]=4 2787 B12R1.374 CCNCc1cc(ccc1O)O 271570a_203496583355_100000765307 [1,1,0,0,0,0|1,0,1]=4 2788 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100011266457_100000210202 [1,1,0,0,0,0|2,0,0]=4 2789 B12R1.374 CCOCc1cc(ccc1Br)Br 34a_100121572206_100011982794 [1,1,0,0,0,0|2,0,0]=4 2790 B12R1.374 CCOCc1cc(ccc1Br)Br 7a_100011266457_100000210202 [1,1,0,0,0,0|2,0,0]=4 2791 B12R1.374 CCOCc1cc(ccc1Br)C 34a_100012361352_100000210202 [1,1,0,0,0,0|1,0,1]=4 2792 B12R1.374 CCOCc1cc(ccc1Br)C 7a_100012361352_100000210202 [1,1,0,0,0,0|1,0,1]=4 2793 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100012355668_100000210202 [1,1,0,0,0,0|2,0,0]=4 2794 B12R1.374 CCOCc1cc(ccc1Br)Cl 34a_100121572206_100000733903 [1,1,0,0,0,0|2,0,0]=4 2795 B12R1.374 CCOCc1cc(ccc1Br)Cl 7a_100012355668_100000210202 [1,1,0,0,0,0|2,0,0]=4 2796 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100011217561_100000210202 [1,1,0,0,0,0|2,0,0]=4 2797 B12R1.374 CCOCc1cc(ccc1Br)F 34a_100121572206_100000736370 [1,1,0,0,0,0|2,0,0]=4 2798 B12R1.374 CCOCc1cc(ccc1Br)F 7a_100011217561_100000210202 [1,1,0,0,0,0|2,0,0]=4 2799 B12R1.374 CCOCc1cc(ccc1Br)I 34a_100121572206_100012355412 [1,1,0,0,0,0|2,0,0]=4 2800 B12R1.374 CCOCc1cc(ccc1Br)I 7a_100012359683_100000210202 [1,1,0,0,0,0|2,0,0]=4 2801 B12R1.374 CCOCc1cc(ccc1Br)N 34a_100012347228_100000210202 [1,1,0,0,0,0|2,0,0]=4 2802 B12R1.374 CCOCc1cc(ccc1C)Br 34a_100000700630_100000210202 [1,1,0,0,0,0|2,0,0]=4 2803 B12R1.374 CCOCc1cc(ccc1C)Br 7a_100000700630_100000210202 [1,1,0,0,0,0|2,0,0]=4 2804 B12R1.374 CCOCc1cc(ccc1C)C 34a_100121572206_100000184699 [1,1,0,0,0,0|1,0,1]=4 2805 B12R1.374 CCOCc1cc(ccc1C)C 34a_200011215349_100000210202 [1,1,0,0,0,0|1,0,1]=4 2806 B12R1.374 CCOCc1cc(ccc1C)C 7a_200011215349_100000210202 [1,1,0,0,0,0|1,0,1]=4 2807 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100012002407_100000210202 [1,1,0,0,0,0|2,0,0]=4 2808 B12R1.374 CCOCc1cc(ccc1C)Cl 34a_100121572206_100012186985 [1,1,0,0,0,0|2,0,0]=4 2809 B12R1.374 CCOCc1cc(ccc1C)Cl 7a_100012002407_100000210202 [1,1,0,0,0,0|2,0,0]=4 2810 B12R1.374 CCOCc1cc(ccc1C)F 34a_100011219218_100000210202 [1,1,0,0,0,0|2,0,0]=4 2811 B12R1.374 CCOCc1cc(ccc1C)F 34a_100121572206_100000709795 [1,1,0,0,0,0|2,0,0]=4 2812 B12R1.374 CCOCc1cc(ccc1C)F 7a_100011219218_100000210202 [1,1,0,0,0,0|2,0,0]=4 2813 B12R1.374 CCOCc1cc(ccc1C)I 34a_100010150140_100000210202 [1,1,0,0,0,0|2,0,0]=4 2814 B12R1.374 CCOCc1cc(ccc1C)I 7a_100010150140_100000210202 [1,1,0,0,0,0|2,0,0]=4 2815 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100011215897_100000210202 [1,1,0,0,0,0|2,0,0]=4 2816 B12R1.374 CCOCc1cc(ccc1Cl)Br 34a_100121572206_100000763347 [1,1,0,0,0,0|2,0,0]=4 2817 B12R1.374 CCOCc1cc(ccc1Cl)Br 7a_100011215897_100000210202 [1,1,0,0,0,0|2,0,0]=4 2818 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100009878994_100000210202 [1,1,0,0,0,0|1,0,1]=4 2819 B12R1.374 CCOCc1cc(ccc1Cl)C 34a_100121572206_100009871730 [1,1,0,0,0,0|1,0,1]=4 2820 B12R1.374 CCOCc1cc(ccc1Cl)C 7a_100009878994_100000210202 [1,1,0,0,0,0|1,0,1]=4 2821 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100000698905_100000210202 [1,1,0,0,0,0|2,0,0]=4 2822 B12R1.374 CCOCc1cc(ccc1Cl)Cl 34a_100121572206_100000756322 [1,1,0,0,0,0|2,0,0]=4 2823 B12R1.374 CCOCc1cc(ccc1Cl)Cl 7a_100000698905_100000210202 [1,1,0,0,0,0|2,0,0]=4 2824 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100011218361_100000210202 [1,1,0,0,0,0|2,0,0]=4 2825 B12R1.374 CCOCc1cc(ccc1Cl)F 34a_100121572206_100000709952 [1,1,0,0,0,0|2,0,0]=4 2826 B12R1.374 CCOCc1cc(ccc1Cl)F 7a_100011218361_100000210202 [1,1,0,0,0,0|2,0,0]=4 2827 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100010128486_100000210202 [1,1,0,0,0,0|2,0,0]=4 2828 B12R1.374 CCOCc1cc(ccc1Cl)I 34a_100121572206_100010188191 [1,1,0,0,0,0|2,0,0]=4 2829 B12R1.374 CCOCc1cc(ccc1Cl)I 7a_100010128486_100000210202 [1,1,0,0,0,0|2,0,0]=4 2830 B12R1.374 CCOCc1cc(ccc1Cl)N 34a_100011273577_100000210202 [1,1,0,0,0,0|2,0,0]=4 2831 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100000246282_100000210202 [1,1,0,0,0,0|2,0,0]=4 2832 B12R1.374 CCOCc1cc(ccc1F)Br 34a_100121572206_100000736399 [1,1,0,0,0,0|2,0,0]=4 2833 B12R1.374 CCOCc1cc(ccc1F)Br 7a_100000246282_100000210202 [1,1,0,0,0,0|2,0,0]=4 2834 B12R1.374 CCOCc1cc(ccc1F)C 34a_100011692775_100000210202 [1,1,0,0,0,0|1,0,1]=4 2835 B12R1.374 CCOCc1cc(ccc1F)C 34a_100121572206_100011260760 [1,1,0,0,0,0|1,0,1]=4 2836 B12R1.374 CCOCc1cc(ccc1F)C 7a_100011692775_100000210202 [1,1,0,0,0,0|1,0,1]=4 2837 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100011217248_100000210202 [1,1,0,0,0,0|2,0,0]=4 2838 B12R1.374 CCOCc1cc(ccc1F)Cl 34a_100121572206_100000716957 [1,1,0,0,0,0|2,0,0]=4 2839 B12R1.374 CCOCc1cc(ccc1F)Cl 7a_100011217248_100000210202 [1,1,0,0,0,0|2,0,0]=4 2840 B12R1.374 CCOCc1cc(ccc1F)F 34a_100011217725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2841 B12R1.374 CCOCc1cc(ccc1F)F 34a_100121572206_100000741279 [1,1,0,0,0,0|2,0,0]=4 2842 B12R1.374 CCOCc1cc(ccc1F)F 7a_100011217725_100000210202 [1,1,0,0,0,0|2,0,0]=4 2843 B12R1.374 CCOCc1cc(ccc1F)I 34a_100000049604_100000210202 [1,1,0,0,0,0|2,0,0]=4 2844 B12R1.374 CCOCc1cc(ccc1F)I 34a_100121572206_200010149601 [1,1,0,0,0,0|2,0,0]=4 2845 B12R1.374 CCOCc1cc(ccc1F)I 7a_100000049604_100000210202 [1,1,0,0,0,0|2,0,0]=4 2846 B12R1.374 CCOCc1cc(ccc1F)N 34a_100011218011_100000210202 [1,1,0,0,0,0|2,0,0]=4 2847 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100011356890_100000210202 [1,1,0,0,0,0|2,0,0]=4 2848 B12R1.374 CCOCc1cc(ccc1I)Br 34a_100121572206_100012362523 [1,1,0,0,0,0|2,0,0]=4 2849 B12R1.374 CCOCc1cc(ccc1I)Br 7a_100011356890_100000210202 [1,1,0,0,0,0|2,0,0]=4 2850 B12R1.374 CCOCc1cc(ccc1I)Cl 34a_100121572206_100012348826 [1,1,0,0,0,0|2,0,0]=4 2851 B12R1.374 CCOCc1cc(ccc1I)F 34a_100010255287_100000210202 [1,1,0,0,0,0|2,0,0]=4 2852 B12R1.374 CCOCc1cc(ccc1I)F 34a_100121572206_100010149606 [1,1,0,0,0,0|2,0,0]=4 2853 B12R1.374 CCOCc1cc(ccc1I)F 7a_100010255287_100000210202 [1,1,0,0,0,0|2,0,0]=4 2854 B12R1.374 CCOCc1cc(ccc1N)Br 34a_100012353972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2855 B12R1.374 CCOCc1cc(ccc1N)Br 7a_100012353972_100000210202 [1,1,0,0,0,0|2,0,0]=4 2856 B12R1.374 CCOCc1cc(ccc1N)C 34a_100011215565_100000210202 [1,1,0,0,0,0|1,0,1]=4 2857 B12R1.374 CCOCc1cc(ccc1N)C 7a_100011215565_100000210202 [1,1,0,0,0,0|1,0,1]=4 2858 B12R1.374 CCOCc1cc(ccc1N)Cl 34a_100011214999_100000210202 [1,1,0,0,0,0|2,0,0]=4 2859 B12R1.374 CCOCc1cc(ccc1N)Cl 7a_100011214999_100000210202 [1,1,0,0,0,0|2,0,0]=4 2860 B12R1.374 CCOCc1cc(ccc1N)F 34a_100011296978_100000210202 [1,1,0,0,0,0|2,0,0]=4 2861 B12R1.374 CCOCc1cc(ccc1N)F 7a_100011296978_100000210202 [1,1,0,0,0,0|2,0,0]=4 2862 B12R1.374 CCOCc1cc(ccc1O)F 34a_100121572206_100010161318 [1,1,0,0,0,0|1,0,0]=3 2863 B12R1.374 CCOCc1nc(ccc1O)C 34a_100121572206_100020630696 [1,1,0,0,0,0|1,0,1]=4 2864 B12R1.374 CCSCc1cc(ccc1O)F 62a_100000210202_100010161318 [1,1,0,0,0,0|1,1,0]=4 2865 B12R1.374 CCSCc1cc(ccc1O)F 62a_100010161318_100000210202 [1,1,0,0,0,0|1,1,0]=4 2866 B12R1.374 COCOc1cc(ccc1O)C 271570a_203496583355_200023989289 [1,1,0,0,0,0|0,0,1]=3 2867 B12R1.374 COCOc1cc(ccc1O)F 271570a_203496583355_200012568746 [1,1,0,0,0,0|1,0,0]=3 2868 B12R1.374 COCSc1cc(ccc1O)Br 62a_100000766300_100012355227 [1,1,0,0,0,0|1,1,0]=4 2869 B12R1.374 COCSc1cc(ccc1O)Br 62a_100012355227_100000766300 [1,1,0,0,0,0|1,1,0]=4 2870 B12R1.374 COCSc1cc(ccc1O)C 62a_100000765521_100000766300 [1,1,0,0,0,0|0,1,1]=4 2871 B12R1.374 COCSc1cc(ccc1O)C 62a_100000766300_100000765521 [1,1,0,0,0,0|0,1,1]=4 2872 B12R1.374 COCSc1cc(ccc1O)Cl 62a_100000766300_100011356953 [1,1,0,0,0,0|1,1,0]=4 2873 B12R1.374 COCSc1cc(ccc1O)Cl 62a_100011356953_100000766300 [1,1,0,0,0,0|1,1,0]=4 2874 B12R1.374 COCSc1cc(ccc1O)F 62a_100000211999_100000766300 [1,1,0,0,0,0|1,1,0]=4 2875 B12R1.374 COCSc1cc(ccc1O)F 62a_100000766300_100000211999 [1,1,0,0,0,0|1,1,0]=4 2876 B12R1.374 COCSc1cc(ccc1O)N 62a_100000766300_100011534360 [1,1,0,0,0,0|1,1,0]=4 2877 B12R1.374 COCSc1cc(ccc1O)N 62a_100011534360_100000766300 [1,1,0,0,0,0|1,1,0]=4 2878 B12R1.374 COCSc1cc(ccc1O)O 62a_100000766300_100009813629 [1,1,0,0,0,0|0,1,1]=4 2879 B12R1.374 CSCNc1cc(ccc1O)Br 34a_100000752626_100011218213 [1,1,0,0,0,0|2,0,0]=4 2880 B12R1.374 CSCNc1cc(ccc1O)C 34a_100011215204_100011218213 [1,1,0,0,0,0|1,0,1]=4 2881 B12R1.374 CSCNc1cc(ccc1O)Cl 34a_100000210500_100011218213 [1,1,0,0,0,0|2,0,0]=4 2882 B12R1.374 CSCNc1cc(ccc1O)F 34a_100000759472_100011218213 [1,1,0,0,0,0|2,0,0]=4 2883 B12R1.374 CSCOc1cc(=O)[nH]cc1Cl 34a_100000069390_100011218213 [1,1,0,0,0,0|2,0,0]=4 2884 B12R1.374 CSCOc1cc(ccc1Br)Br 34a_100011220040_100011218213 [1,1,0,0,0,0|2,0,0]=4 2885 B12R1.374 CSCOc1cc(ccc1Br)C 34a_100012002257_100011218213 [1,1,0,0,0,0|1,0,1]=4 2886 B12R1.374 CSCOc1cc(ccc1Br)Cl 34a_100012339455_100011218213 [1,1,0,0,0,0|2,0,0]=4 2887 B12R1.374 CSCOc1cc(ccc1Br)F 34a_100000690578_100011218213 [1,1,0,0,0,0|2,0,0]=4 2888 B12R1.374 CSCOc1cc(ccc1Br)I 34a_100012356990_100011218213 [1,1,0,0,0,0|2,0,0]=4 2889 B12R1.374 CSCOc1cc(ccc1C)Br 34a_100000685420_100011218213 [1,1,0,0,0,0|2,0,0]=4 2890 B12R1.374 CSCOc1cc(ccc1C)C 34a_100000210931_100011218213 [1,1,0,0,0,0|1,0,1]=4 2891 B12R1.374 CSCOc1cc(ccc1C)Cl 34a_100000756515_100011218213 [1,1,0,0,0,0|2,0,0]=4 2892 B12R1.374 CSCOc1cc(ccc1C)F 34a_100000690566_100011218213 [1,1,0,0,0,0|2,0,0]=4 2893 B12R1.374 CSCOc1cc(ccc1C)N 34a_100000759471_100011218213 [1,1,0,0,0,0|2,0,0]=4 2894 B12R1.374 CSCOc1cc(ccc1Cl)Br 34a_100000738945_100011218213 [1,1,0,0,0,0|2,0,0]=4 2895 B12R1.374 CSCOc1cc(ccc1Cl)C 34a_100000211493_100011218213 [1,1,0,0,0,0|1,0,1]=4 2896 B12R1.374 CSCOc1cc(ccc1Cl)Cl 34a_100000211422_100011218213 [1,1,0,0,0,0|2,0,0]=4 2897 B12R1.374 CSCOc1cc(ccc1Cl)F 34a_100000692107_100011218213 [1,1,0,0,0,0|2,0,0]=4 2898 B12R1.374 CSCOc1cc(ccc1Cl)I 34a_100011356854_100011218213 [1,1,0,0,0,0|2,0,0]=4 2899 B12R1.374 CSCOc1cc(ccc1Cl)N 34a_100011934209_100011218213 [1,1,0,0,0,0|2,0,0]=4 2900 B12R1.374 CSCOc1cc(ccc1F)Br 34a_100000686035_100011218213 [1,1,0,0,0,0|2,0,0]=4 2901 B12R1.374 CSCOc1cc(ccc1F)C 34a_100000759540_100011218213 [1,1,0,0,0,0|1,0,1]=4 2902 B12R1.374 CSCOc1cc(ccc1F)Cl 34a_100000757397_100011218213 [1,1,0,0,0,0|2,0,0]=4 2903 B12R1.374 CSCOc1cc(ccc1F)F 34a_100000752141_100011218213 [1,1,0,0,0,0|2,0,0]=4 2904 B12R1.374 CSCOc1cc(ccc1F)I 34a_100009958187_100011218213 [1,1,0,0,0,0|2,0,0]=4 2905 B12R1.374 CSCOc1cc(ccc1F)N 34a_100012017398_100011218213 [1,1,0,0,0,0|2,0,0]=4 2906 B12R1.374 CSCOc1cc(ccc1I)Br 34a_100012344904_100011218213 [1,1,0,0,0,0|2,0,0]=4 2907 B12R1.374 CSCOc1cc(ccc1I)Cl 34a_100000050036_100011218213 [1,1,0,0,0,0|2,0,0]=4 2908 B12R1.374 CSCOc1cc(ccc1I)F 34a_100010084537_100011218213 [1,1,0,0,0,0|2,0,0]=4 2909 B12R1.374 CSCOc1cc(ccc1N)Br 34a_100000739049_100011218213 [1,1,0,0,0,0|2,0,0]=4 2910 B12R1.374 CSCOc1cc(ccc1N)C 34a_100000211527_100011218213 [1,1,0,0,0,0|1,0,1]=4 2911 B12R1.374 CSCOc1cc(ccc1N)Cl 34a_100000185728_100011218213 [1,1,0,0,0,0|2,0,0]=4 2912 B12R1.374 CSCOc1cc(ccc1N)F 34a_100000753323_100011218213 [1,1,0,0,0,0|2,0,0]=4 2913 B12R1.374 CSCOc1cc(ccc1N)I 34a_100000057187_100011218213 [1,1,0,0,0,0|2,0,0]=4 2914 B12R1.374 CSCOc1cc(ccc1N)N 34a_100025717382_100011218213 [1,1,0,0,0,0|2,0,0]=4 2915 B12R1.374 CSCSc1cc(ccc1O)Br 62a_100011218213_100012355227 [1,1,0,0,0,0|1,1,0]=4 2916 B12R1.374 CSCSc1cc(ccc1O)Br 62a_100012355227_100011218213 [1,1,0,0,0,0|1,1,0]=4 2917 B12R1.374 CSCSc1cc(ccc1O)C 62a_100000765521_100011218213 [1,1,0,0,0,0|0,1,1]=4 2918 B12R1.374 CSCSc1cc(ccc1O)C 62a_100011218213_100000765521 [1,1,0,0,0,0|0,1,1]=4 2919 B12R1.374 CSCSc1cc(ccc1O)Cl 62a_100011218213_100011356953 [1,1,0,0,0,0|1,1,0]=4 2920 B12R1.374 CSCSc1cc(ccc1O)Cl 62a_100011356953_100011218213 [1,1,0,0,0,0|1,1,0]=4 2921 B12R1.374 CSCSc1cc(ccc1O)F 62a_100000211999_100011218213 [1,1,0,0,0,0|1,1,0]=4 2922 B12R1.374 CSCSc1cc(ccc1O)F 62a_100011218213_100000211999 [1,1,0,0,0,0|1,1,0]=4 2923 B12R1.374 CSCSc1cc(ccc1O)N 62a_100011218213_100011534360 [1,1,0,0,0,0|1,1,0]=4 2924 B12R1.374 CSCSc1cc(ccc1O)N 62a_100011534360_100011218213 [1,1,0,0,0,0|1,1,0]=4 2925 B12R1.374 CSCSc1cc(ccc1O)O 62a_100011218213_100009813629 [1,1,0,0,0,0|0,1,1]=4 2926 B12R1.374 Cc1ccc(c(c1)NCCF)O 34a_100011215204_100011217306 [1,1,0,0,0,0|1,0,1]=4 2927 B12R1.374 Cc1ccc(c(c1)NCCO)O 34a_100011215204_100000211926 [1,1,0,0,0,0|1,0,1]=4 2928 B12R1.374 Cc1ccc(c(c1)OCCF)Br 34a_100012002257_100011217306 [1,1,0,0,0,0|1,0,1]=4 2929 B12R1.374 Cc1ccc(c(c1)OCCF)Br 7a_100012002257_100011217306 [1,1,0,0,0,0|1,0,1]=4 2930 B12R1.374 Cc1ccc(c(c1)OCCF)C 34a_100000210931_100011217306 [1,1,0,0,0,0|1,0,1]=4 2931 B12R1.374 Cc1ccc(c(c1)OCCF)C 7a_100000210931_100011217306 [1,1,0,0,0,0|1,0,1]=4 2932 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 34a_100000211493_100011217306 [1,1,0,0,0,0|1,0,1]=4 2933 B12R1.374 Cc1ccc(c(c1)OCCF)Cl 7a_100000211493_100011217306 [1,1,0,0,0,0|1,0,1]=4 2934 B12R1.374 Cc1ccc(c(c1)OCCF)F 34a_100000759540_100011217306 [1,1,0,0,0,0|1,0,1]=4 2935 B12R1.374 Cc1ccc(c(c1)OCCF)F 7a_100000759540_100011217306 [1,1,0,0,0,0|1,0,1]=4 2936 B12R1.374 Cc1ccc(c(c1)OCCF)N 34a_100000211527_100011217306 [1,1,0,0,0,0|1,0,1]=4 2937 B12R1.374 Cc1ccc(c(c1)OCCF)N 7a_100000211527_100011217306 [1,1,0,0,0,0|1,0,1]=4 2938 B12R1.374 Cc1ccc(c(c1)OCCO)Br 34a_100012002257_100000211926 [1,1,0,0,0,0|1,0,1]=4 2939 B12R1.374 Cc1ccc(c(c1)OCCO)Br 7a_100012002257_100000211926 [1,1,0,0,0,0|1,0,1]=4 2940 B12R1.374 Cc1ccc(c(c1)OCCO)C 34a_100000210931_100000211926 [1,1,0,0,0,0|1,0,1]=4 2941 B12R1.374 Cc1ccc(c(c1)OCCO)C 7a_100000210931_100000211926 [1,1,0,0,0,0|1,0,1]=4 2942 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 34a_100000211493_100000211926 [1,1,0,0,0,0|1,0,1]=4 2943 B12R1.374 Cc1ccc(c(c1)OCCO)Cl 7a_100000211493_100000211926 [1,1,0,0,0,0|1,0,1]=4 2944 B12R1.374 Cc1ccc(c(c1)OCCO)F 34a_100000759540_100000211926 [1,1,0,0,0,0|1,0,1]=4 2945 B12R1.374 Cc1ccc(c(c1)OCCO)F 7a_100000759540_100000211926 [1,1,0,0,0,0|1,0,1]=4 2946 B12R1.374 Cc1ccc(c(c1)OCCO)N 34a_100000211527_100000211926 [1,1,0,0,0,0|1,0,1]=4 2947 B12R1.374 Cc1ccc(c(c1)OCCO)N 7a_100000211527_100000211926 [1,1,0,0,0,0|1,0,1]=4 2948 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100000765521_100011217306 [1,1,0,0,0,0|0,1,1]=4 2949 B12R1.374 Cc1ccc(c(c1)SCCF)O 62a_100011217306_100000765521 [1,1,0,0,0,0|0,1,1]=4 2950 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000211926_100000765521 [1,1,0,0,0,0|0,1,1]=4 2951 B12R1.374 Cc1ccc(c(c1)SCCO)O 62a_100000765521_100000211926 [1,1,0,0,0,0|0,1,1]=4 2952 B12R1.374 Cc1ccc(cc1OCCF)Br 34a_100000685420_100011217306 [1,1,0,0,0,0|2,0,0]=4 2953 B12R1.374 Cc1ccc(cc1OCCF)Br 7a_100000685420_100011217306 [1,1,0,0,0,0|2,0,0]=4 2954 B12R1.374 Cc1ccc(cc1OCCF)Cl 34a_100000756515_100011217306 [1,1,0,0,0,0|2,0,0]=4 2955 B12R1.374 Cc1ccc(cc1OCCF)Cl 7a_100000756515_100011217306 [1,1,0,0,0,0|2,0,0]=4 2956 B12R1.374 Cc1ccc(cc1OCCF)F 34a_100000690566_100011217306 [1,1,0,0,0,0|2,0,0]=4 2957 B12R1.374 Cc1ccc(cc1OCCF)F 7a_100000690566_100011217306 [1,1,0,0,0,0|2,0,0]=4 2958 B12R1.374 Cc1ccc(cc1OCCF)I 7a_100000766334_100011217306 [1,1,0,0,0,0|2,0,0]=4 2959 B12R1.374 Cc1ccc(cc1OCCF)N 34a_100000759471_100011217306 [1,1,0,0,0,0|2,0,0]=4 2960 B12R1.374 Cc1ccc(cc1OCCF)N 7a_100000759471_100011217306 [1,1,0,0,0,0|2,0,0]=4 2961 B12R1.374 Cc1ccc(cc1OCCO)Br 34a_100000685420_100000211926 [1,1,0,0,0,0|2,0,0]=4 2962 B12R1.374 Cc1ccc(cc1OCCO)Br 7a_100000685420_100000211926 [1,1,0,0,0,0|2,0,0]=4 2963 B12R1.374 Cc1ccc(cc1OCCO)Cl 34a_100000756515_100000211926 [1,1,0,0,0,0|2,0,0]=4 2964 B12R1.374 Cc1ccc(cc1OCCO)Cl 7a_100000756515_100000211926 [1,1,0,0,0,0|2,0,0]=4 2965 B12R1.374 Cc1ccc(cc1OCCO)F 34a_100000690566_100000211926 [1,1,0,0,0,0|2,0,0]=4 2966 B12R1.374 Cc1ccc(cc1OCCO)F 7a_100000690566_100000211926 [1,1,0,0,0,0|2,0,0]=4 2967 B12R1.374 Cc1ccc(cc1OCCO)I 7a_100000766334_100000211926 [1,1,0,0,0,0|2,0,0]=4 2968 B12R1.374 Cc1ccc(cc1OCCO)N 34a_100000759471_100000211926 [1,1,0,0,0,0|2,0,0]=4 2969 B12R1.374 Cc1ccc(cc1OCCO)N 7a_100000759471_100000211926 [1,1,0,0,0,0|2,0,0]=4 2970 B12R1.374 FCCOc1cc(ccc1Br)Br 34a_100011220040_100011217306 [1,1,0,0,0,0|2,0,0]=4 2971 B12R1.374 FCCOc1cc(ccc1Br)Br 7a_100011220040_100011217306 [1,1,0,0,0,0|2,0,0]=4 2972 B12R1.374 FCCOc1cc(ccc1Br)Cl 34a_100012339455_100011217306 [1,1,0,0,0,0|2,0,0]=4 2973 B12R1.374 FCCOc1cc(ccc1Br)Cl 7a_100012339455_100011217306 [1,1,0,0,0,0|2,0,0]=4 2974 B12R1.374 FCCOc1cc(ccc1Br)F 34a_100000690578_100011217306 [1,1,0,0,0,0|2,0,0]=4 2975 B12R1.374 FCCOc1cc(ccc1Br)F 7a_100000690578_100011217306 [1,1,0,0,0,0|2,0,0]=4 2976 B12R1.374 FCCOc1cc(ccc1Br)I 34a_100012356990_100011217306 [1,1,0,0,0,0|2,0,0]=4 2977 B12R1.374 FCCOc1cc(ccc1Br)I 7a_100012356990_100011217306 [1,1,0,0,0,0|2,0,0]=4 2978 B12R1.374 FCCOc1cc(ccc1Cl)Br 34a_100000738945_100011217306 [1,1,0,0,0,0|2,0,0]=4 2979 B12R1.374 FCCOc1cc(ccc1Cl)Br 7a_100000738945_100011217306 [1,1,0,0,0,0|2,0,0]=4 2980 B12R1.374 FCCOc1cc(ccc1Cl)Cl 34a_100000211422_100011217306 [1,1,0,0,0,0|2,0,0]=4 2981 B12R1.374 FCCOc1cc(ccc1Cl)Cl 7a_100000211422_100011217306 [1,1,0,0,0,0|2,0,0]=4 2982 B12R1.374 FCCOc1cc(ccc1Cl)F 34a_100000692107_100011217306 [1,1,0,0,0,0|2,0,0]=4 2983 B12R1.374 FCCOc1cc(ccc1Cl)F 7a_100000692107_100011217306 [1,1,0,0,0,0|2,0,0]=4 2984 B12R1.374 FCCOc1cc(ccc1Cl)I 34a_100011356854_100011217306 [1,1,0,0,0,0|2,0,0]=4 2985 B12R1.374 FCCOc1cc(ccc1Cl)I 7a_100011356854_100011217306 [1,1,0,0,0,0|2,0,0]=4 2986 B12R1.374 FCCOc1cc(ccc1F)Br 34a_100000686035_100011217306 [1,1,0,0,0,0|2,0,0]=4 2987 B12R1.374 FCCOc1cc(ccc1F)Br 7a_100000686035_100011217306 [1,1,0,0,0,0|2,0,0]=4 2988 B12R1.374 FCCOc1cc(ccc1F)Cl 34a_100000757397_100011217306 [1,1,0,0,0,0|2,0,0]=4 2989 B12R1.374 FCCOc1cc(ccc1F)Cl 7a_100000757397_100011217306 [1,1,0,0,0,0|2,0,0]=4 2990 B12R1.374 FCCOc1cc(ccc1F)F 34a_100000752141_100011217306 [1,1,0,0,0,0|2,0,0]=4 2991 B12R1.374 FCCOc1cc(ccc1F)F 7a_100000752141_100011217306 [1,1,0,0,0,0|2,0,0]=4 2992 B12R1.374 FCCOc1cc(ccc1F)I 34a_100009958187_100011217306 [1,1,0,0,0,0|2,0,0]=4 2993 B12R1.374 FCCOc1cc(ccc1F)I 7a_100009958187_100011217306 [1,1,0,0,0,0|2,0,0]=4 2994 B12R1.374 FCCOc1cc(ccc1I)Br 34a_100012344904_100011217306 [1,1,0,0,0,0|2,0,0]=4 2995 B12R1.374 FCCOc1cc(ccc1I)Br 7a_100012344904_100011217306 [1,1,0,0,0,0|2,0,0]=4 2996 B12R1.374 FCCOc1cc(ccc1I)Cl 34a_100000050036_100011217306 [1,1,0,0,0,0|2,0,0]=4 2997 B12R1.374 FCCOc1cc(ccc1I)Cl 7a_100000050036_100011217306 [1,1,0,0,0,0|2,0,0]=4 2998 B12R1.374 FCCOc1cc(ccc1I)F 34a_100010084537_100011217306 [1,1,0,0,0,0|2,0,0]=4 2999 B12R1.374 FCCOc1cc(ccc1I)F 7a_100010084537_100011217306 [1,1,0,0,0,0|2,0,0]=4 3000 B12R1.374 Nc1ccc(c(c1)OCCF)Cl 34a_100011934209_100011217306 [1,1,0,0,0,0|2,0,0]=4 3001 B12R1.374 Nc1ccc(c(c1)OCCF)F 34a_100012017398_100011217306 [1,1,0,0,0,0|2,0,0]=4 3002 B12R1.374 Nc1ccc(c(c1)OCCF)F 7a_100012017398_100011217306 [1,1,0,0,0,0|2,0,0]=4 3003 B12R1.374 Nc1ccc(c(c1)OCCF)N 34a_100025717382_100011217306 [1,1,0,0,0,0|2,0,0]=4 3004 B12R1.374 Nc1ccc(c(c1)OCCO)Cl 34a_100011934209_100000211926 [1,1,0,0,0,0|2,0,0]=4 3005 B12R1.374 Nc1ccc(c(c1)OCCO)F 34a_100012017398_100000211926 [1,1,0,0,0,0|2,0,0]=4 3006 B12R1.374 Nc1ccc(c(c1)OCCO)F 7a_100012017398_100000211926 [1,1,0,0,0,0|2,0,0]=4 3007 B12R1.374 Nc1ccc(c(c1)OCCO)N 34a_100025717382_100000211926 [1,1,0,0,0,0|2,0,0]=4 3008 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011217306_100011534360 [1,1,0,0,0,0|1,1,0]=4 3009 B12R1.374 Nc1ccc(c(c1)SCCF)O 62a_100011534360_100011217306 [1,1,0,0,0,0|1,1,0]=4 3010 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100000211926_100011534360 [1,1,0,0,0,0|1,1,0]=4 3011 B12R1.374 Nc1ccc(c(c1)SCCO)O 62a_100011534360_100000211926 [1,1,0,0,0,0|1,1,0]=4 3012 B12R1.374 Nc1ccc(cc1OCCF)Br 34a_100000739049_100011217306 [1,1,0,0,0,0|2,0,0]=4 3013 B12R1.374 Nc1ccc(cc1OCCF)Br 7a_100000739049_100011217306 [1,1,0,0,0,0|2,0,0]=4 3014 B12R1.374 Nc1ccc(cc1OCCF)Cl 34a_100000185728_100011217306 [1,1,0,0,0,0|2,0,0]=4 3015 B12R1.374 Nc1ccc(cc1OCCF)Cl 7a_100000185728_100011217306 [1,1,0,0,0,0|2,0,0]=4 3016 B12R1.374 Nc1ccc(cc1OCCF)F 34a_100000753323_100011217306 [1,1,0,0,0,0|2,0,0]=4 3017 B12R1.374 Nc1ccc(cc1OCCF)F 7a_100000753323_100011217306 [1,1,0,0,0,0|2,0,0]=4 3018 B12R1.374 Nc1ccc(cc1OCCF)I 34a_100000057187_100011217306 [1,1,0,0,0,0|2,0,0]=4 3019 B12R1.374 Nc1ccc(cc1OCCF)I 7a_100000057187_100011217306 [1,1,0,0,0,0|2,0,0]=4 3020 B12R1.374 Nc1ccc(cc1OCCO)Br 34a_100000739049_100000211926 [1,1,0,0,0,0|2,0,0]=4 3021 B12R1.374 Nc1ccc(cc1OCCO)Br 7a_100000739049_100000211926 [1,1,0,0,0,0|2,0,0]=4 3022 B12R1.374 Nc1ccc(cc1OCCO)Cl 34a_100000185728_100000211926 [1,1,0,0,0,0|2,0,0]=4 3023 B12R1.374 Nc1ccc(cc1OCCO)Cl 7a_100000185728_100000211926 [1,1,0,0,0,0|2,0,0]=4 3024 B12R1.374 Nc1ccc(cc1OCCO)F 34a_100000753323_100000211926 [1,1,0,0,0,0|2,0,0]=4 3025 B12R1.374 Nc1ccc(cc1OCCO)F 7a_100000753323_100000211926 [1,1,0,0,0,0|2,0,0]=4 3026 B12R1.374 Nc1ccc(cc1OCCO)I 34a_100000057187_100000211926 [1,1,0,0,0,0|2,0,0]=4 3027 B12R1.374 Nc1ccc(cc1OCCO)I 7a_100000057187_100000211926 [1,1,0,0,0,0|2,0,0]=4 3028 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCF 34a_100000069390_100011217306 [1,1,0,0,0,0|2,0,0]=4 3029 B12R1.374 O=c1cc(c(c[nH]1)Cl)OCCO 34a_100000069390_100000211926 [1,1,0,0,0,0|2,0,0]=4 3030 B12R1.374 OCCNc1cc(ccc1O)Br 34a_100000752626_100000211926 [1,1,0,0,0,0|2,0,0]=4 3031 B12R1.374 OCCNc1cc(ccc1O)Cl 34a_100000210500_100000211926 [1,1,0,0,0,0|2,0,0]=4 3032 B12R1.374 OCCNc1cc(ccc1O)F 34a_100000759472_100000211926 [1,1,0,0,0,0|2,0,0]=4 3033 B12R1.374 OCCOc1cc(ccc1Br)Br 34a_100011220040_100000211926 [1,1,0,0,0,0|2,0,0]=4 3034 B12R1.374 OCCOc1cc(ccc1Br)Br 7a_100011220040_100000211926 [1,1,0,0,0,0|2,0,0]=4 3035 B12R1.374 OCCOc1cc(ccc1Br)Cl 34a_100012339455_100000211926 [1,1,0,0,0,0|2,0,0]=4 3036 B12R1.374 OCCOc1cc(ccc1Br)Cl 7a_100012339455_100000211926 [1,1,0,0,0,0|2,0,0]=4 3037 B12R1.374 OCCOc1cc(ccc1Br)F 34a_100000690578_100000211926 [1,1,0,0,0,0|2,0,0]=4 3038 B12R1.374 OCCOc1cc(ccc1Br)F 7a_100000690578_100000211926 [1,1,0,0,0,0|2,0,0]=4 3039 B12R1.374 OCCOc1cc(ccc1Br)I 34a_100012356990_100000211926 [1,1,0,0,0,0|2,0,0]=4 3040 B12R1.374 OCCOc1cc(ccc1Br)I 7a_100012356990_100000211926 [1,1,0,0,0,0|2,0,0]=4 3041 B12R1.374 OCCOc1cc(ccc1Cl)Br 34a_100000738945_100000211926 [1,1,0,0,0,0|2,0,0]=4 3042 B12R1.374 OCCOc1cc(ccc1Cl)Br 7a_100000738945_100000211926 [1,1,0,0,0,0|2,0,0]=4 3043 B12R1.374 OCCOc1cc(ccc1Cl)Cl 34a_100000211422_100000211926 [1,1,0,0,0,0|2,0,0]=4 3044 B12R1.374 OCCOc1cc(ccc1Cl)Cl 7a_100000211422_100000211926 [1,1,0,0,0,0|2,0,0]=4 3045 B12R1.374 OCCOc1cc(ccc1Cl)F 34a_100000692107_100000211926 [1,1,0,0,0,0|2,0,0]=4 3046 B12R1.374 OCCOc1cc(ccc1Cl)F 7a_100000692107_100000211926 [1,1,0,0,0,0|2,0,0]=4 3047 B12R1.374 OCCOc1cc(ccc1Cl)I 34a_100011356854_100000211926 [1,1,0,0,0,0|2,0,0]=4 3048 B12R1.374 OCCOc1cc(ccc1Cl)I 7a_100011356854_100000211926 [1,1,0,0,0,0|2,0,0]=4 3049 B12R1.374 OCCOc1cc(ccc1F)Br 34a_100000686035_100000211926 [1,1,0,0,0,0|2,0,0]=4 3050 B12R1.374 OCCOc1cc(ccc1F)Br 7a_100000686035_100000211926 [1,1,0,0,0,0|2,0,0]=4 3051 B12R1.374 OCCOc1cc(ccc1F)Cl 34a_100000757397_100000211926 [1,1,0,0,0,0|2,0,0]=4 3052 B12R1.374 OCCOc1cc(ccc1F)Cl 7a_100000757397_100000211926 [1,1,0,0,0,0|2,0,0]=4 3053 B12R1.374 OCCOc1cc(ccc1F)F 34a_100000752141_100000211926 [1,1,0,0,0,0|2,0,0]=4 3054 B12R1.374 OCCOc1cc(ccc1F)F 7a_100000752141_100000211926 [1,1,0,0,0,0|2,0,0]=4 3055 B12R1.374 OCCOc1cc(ccc1F)I 34a_100009958187_100000211926 [1,1,0,0,0,0|2,0,0]=4 3056 B12R1.374 OCCOc1cc(ccc1F)I 7a_100009958187_100000211926 [1,1,0,0,0,0|2,0,0]=4 3057 B12R1.374 OCCOc1cc(ccc1I)Br 34a_100012344904_100000211926 [1,1,0,0,0,0|2,0,0]=4 3058 B12R1.374 OCCOc1cc(ccc1I)Br 7a_100012344904_100000211926 [1,1,0,0,0,0|2,0,0]=4 3059 B12R1.374 OCCOc1cc(ccc1I)Cl 34a_100000050036_100000211926 [1,1,0,0,0,0|2,0,0]=4 3060 B12R1.374 OCCOc1cc(ccc1I)Cl 7a_100000050036_100000211926 [1,1,0,0,0,0|2,0,0]=4 3061 B12R1.374 OCCOc1cc(ccc1I)F 34a_100010084537_100000211926 [1,1,0,0,0,0|2,0,0]=4 3062 B12R1.374 OCCOc1cc(ccc1I)F 7a_100010084537_100000211926 [1,1,0,0,0,0|2,0,0]=4 3063 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100000211926_100012355227 [1,1,0,0,0,0|1,1,0]=4 3064 B12R1.374 OCCSc1cc(ccc1O)Br 62a_100012355227_100000211926 [1,1,0,0,0,0|1,1,0]=4 3065 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100000211926_100011356953 [1,1,0,0,0,0|1,1,0]=4 3066 B12R1.374 OCCSc1cc(ccc1O)Cl 62a_100011356953_100000211926 [1,1,0,0,0,0|1,1,0]=4 3067 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211926_100000211999 [1,1,0,0,0,0|1,1,0]=4 3068 B12R1.374 OCCSc1cc(ccc1O)F 62a_100000211999_100000211926 [1,1,0,0,0,0|1,1,0]=4 3069 B12R1.374 OCCSc1cc(ccc1O)O 62a_100000211926_100009813629 [1,1,0,0,0,0|0,1,1]=4 3070 B12R1.374 Oc1ccc(c(c1)SCCF)O 62a_100011217306_100009813629 [1,1,0,0,0,0|0,1,1]=4 3071 B12R1.374 Oc1ccc(cc1NCCF)Br 34a_100000752626_100011217306 [1,1,0,0,0,0|2,0,0]=4 3072 B12R1.374 Oc1ccc(cc1NCCF)Cl 34a_100000210500_100011217306 [1,1,0,0,0,0|2,0,0]=4 3073 B12R1.374 Oc1ccc(cc1NCCF)F 34a_100000759472_100011217306 [1,1,0,0,0,0|2,0,0]=4 3074 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100011217306_100012355227 [1,1,0,0,0,0|1,1,0]=4 3075 B12R1.374 Oc1ccc(cc1SCCF)Br 62a_100012355227_100011217306 [1,1,0,0,0,0|1,1,0]=4 3076 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011217306_100011356953 [1,1,0,0,0,0|1,1,0]=4 3077 B12R1.374 Oc1ccc(cc1SCCF)Cl 62a_100011356953_100011217306 [1,1,0,0,0,0|1,1,0]=4 3078 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100000211999_100011217306 [1,1,0,0,0,0|1,1,0]=4 3079 B12R1.374 Oc1ccc(cc1SCCF)F 62a_100011217306_100000211999 [1,1,0,0,0,0|1,1,0]=4 3080 B12R1.497 CCNc1c(ccc(c1C)Br)O 34a_100013039247_100000210202 [1,1,0,0,0,0|2,0,0]=4 3081 B12R1.497 CCOc1c(ccc(c1Br)C)F 34a_200010223207_100000210202 [1,1,0,0,0,0|1,0,1]=4 3082 B12R1.497 CCOc1c(ccc(c1Br)C)F 7a_200010223207_100000210202 [1,1,0,0,0,0|1,0,1]=4 3083 B12R1.497 CCOc1c(ccc(c1Br)F)F 34a_100010170822_100000210202 [1,1,0,0,0,0|2,0,0]=4 3084 B12R1.497 CCOc1c(ccc(c1Br)F)F 7a_100010170822_100000210202 [1,1,0,0,0,0|2,0,0]=4 3085 B12R1.497 CCOc1c(ccc(c1Br)F)N 34a_100010128263_100000210202 [1,1,0,0,0,0|2,0,0]=4 3086 B12R1.497 CCOc1c(ccc(c1Br)F)N 7a_100010128263_100000210202 [1,1,0,0,0,0|2,0,0]=4 3087 B12R1.497 CCOc1c(ccc(c1C)C)C 34a_100000211305_100000210202 [1,1,0,0,0,0|1,0,1]=4 3088 B12R1.497 CCOc1c(ccc(c1C)C)C 7a_100000211305_100000210202 [1,1,0,0,0,0|1,0,1]=4 3089 B12R1.497 CCOc1c(ccc(c1C)Cl)Br 34a_200010391122_100000210202 [1,1,0,0,0,0|2,0,0]=4 3090 B12R1.497 CCOc1c(ccc(c1C)Cl)Br 7a_200010391122_100000210202 [1,1,0,0,0,0|2,0,0]=4 3091 B12R1.497 CCOc1c(ccc(c1C)F)Br 34a_200010391124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3092 B12R1.497 CCOc1c(ccc(c1C)F)Br 7a_200010391124_100000210202 [1,1,0,0,0,0|2,0,0]=4 3093 B12R1.497 CCOc1c(ccc(c1Cl)Br)Cl 34a_100010089855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3094 B12R1.497 CCOc1c(ccc(c1Cl)Br)Cl 7a_100010089855_100000210202 [1,1,0,0,0,0|2,0,0]=4 3095 B12R1.497 CCOc1c(ccc(c1Cl)C)Cl 34a_200000087117_100000210202 [1,1,0,0,0,0|1,0,1]=4 3096 B12R1.497 CCOc1c(ccc(c1Cl)C)Cl 7a_200000087117_100000210202 [1,1,0,0,0,0|1,0,1]=4 3097 B12R1.497 CCOc1c(ccc(c1Cl)C)F 34a_100000035349_100000210202 [1,1,0,0,0,0|1,0,1]=4 3098 B12R1.497 CCOc1c(ccc(c1Cl)C)F 7a_100000035349_100000210202 [1,1,0,0,0,0|1,0,1]=4 3099 B12R1.497 CCOc1c(ccc(c1Cl)Cl)Cl 34a_100000042553_100000210202 [1,1,0,0,0,0|2,0,0]=4 3100 B12R1.497 CCOc1c(ccc(c1Cl)Cl)Cl 7a_100000042553_100000210202 [1,1,0,0,0,0|2,0,0]=4 3101 B12R1.497 CCOc1c(ccc(c1Cl)Cl)F 34a_100000062035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3102 B12R1.497 CCOc1c(ccc(c1Cl)Cl)F 7a_100000062035_100000210202 [1,1,0,0,0,0|2,0,0]=4 3103 B12R1.497 CCOc1c(ccc(c1Cl)F)Br 34a_100014979575_100000210202 [1,1,0,0,0,0|2,0,0]=4 3104 B12R1.497 CCOc1c(ccc(c1Cl)F)Br 7a_100014979575_100000210202 [1,1,0,0,0,0|2,0,0]=4 3105 B12R1.497 CCOc1c(ccc(c1Cl)F)F 34a_100000038336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3106 B12R1.497 CCOc1c(ccc(c1Cl)F)F 7a_100000038336_100000210202 [1,1,0,0,0,0|2,0,0]=4 3107 B12R1.497 CCOc1c(ccc(c1Cl)N)C 34a_100000036876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3108 B12R1.497 CCOc1c(ccc(c1Cl)N)C 7a_100000036876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3109 B12R1.497 CCOc1c(ccc(c1F)Br)Cl 34a_100010240321_100000210202 [1,1,0,0,0,0|2,0,0]=4 3110 B12R1.497 CCOc1c(ccc(c1F)Br)Cl 7a_100010240321_100000210202 [1,1,0,0,0,0|2,0,0]=4 3111 B12R1.497 CCOc1c(ccc(c1F)Br)F 34a_100010167067_100000210202 [1,1,0,0,0,0|2,0,0]=4 3112 B12R1.497 CCOc1c(ccc(c1F)Br)F 7a_100010167067_100000210202 [1,1,0,0,0,0|2,0,0]=4 3113 B12R1.497 CCOc1c(ccc(c1F)C)Br 34a_100000722096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3114 B12R1.497 CCOc1c(ccc(c1F)C)Br 7a_100000722096_100000210202 [1,1,0,0,0,0|1,0,1]=4 3115 B12R1.497 CCOc1c(ccc(c1F)C)Cl 34a_200000034537_100000210202 [1,1,0,0,0,0|1,0,1]=4 3116 B12R1.497 CCOc1c(ccc(c1F)C)Cl 7a_200000034537_100000210202 [1,1,0,0,0,0|1,0,1]=4 3117 B12R1.497 CCOc1c(ccc(c1F)C)F 34a_100011216644_100000210202 [1,1,0,0,0,0|1,0,1]=4 3118 B12R1.497 CCOc1c(ccc(c1F)C)F 7a_100011216644_100000210202 [1,1,0,0,0,0|1,0,1]=4 3119 B12R1.497 CCOc1c(ccc(c1F)Cl)Br 34a_100010081130_100000210202 [1,1,0,0,0,0|2,0,0]=4 3120 B12R1.497 CCOc1c(ccc(c1F)Cl)Br 7a_100010081130_100000210202 [1,1,0,0,0,0|2,0,0]=4 3121 B12R1.497 CCOc1c(ccc(c1F)Cl)F 34a_100000034634_100000210202 [1,1,0,0,0,0|2,0,0]=4 3122 B12R1.497 CCOc1c(ccc(c1F)Cl)F 7a_100000034634_100000210202 [1,1,0,0,0,0|2,0,0]=4 3123 B12R1.497 CCOc1c(ccc(c1F)F)Br 34a_100010243909_100000210202 [1,1,0,0,0,0|2,0,0]=4 3124 B12R1.497 CCOc1c(ccc(c1F)F)Br 7a_100010243909_100000210202 [1,1,0,0,0,0|2,0,0]=4 3125 B12R1.497 CCOc1c(ccc(c1F)F)F 34a_100000031686_100000210202 [1,1,0,0,0,0|2,0,0]=4 3126 B12R1.497 CCOc1c(ccc(c1F)F)F 7a_100000031686_100000210202 [1,1,0,0,0,0|2,0,0]=4 3127 B12R1.497 CCOc1c(ccc(c1F)F)N 34a_100015205010_100000210202 [1,1,0,0,0,0|2,0,0]=4 3128 B12R1.497 CCOc1c(ccc(c1F)F)N 7a_100015205010_100000210202 [1,1,0,0,0,0|2,0,0]=4 3129 B12R1.497 CCOc1c(ccc(c1F)I)Br 34a_200010782288_100000210202 [1,1,0,0,0,0|2,0,0]=4 3130 B12R1.497 CCOc1c(ccc(c1F)I)Br 7a_200010782288_100000210202 [1,1,0,0,0,0|2,0,0]=4 3131 B12R1.1123 CCNc1cc(c(cc1O)Br)Br 7a_200010781931_100000210202 [1,1,0,0,0,0|2,0,0]=4 3132 B12R1.1123 CCNc1cc(c(cc1O)Br)C 34a_200010107346_100000210202 [1,1,0,0,0,0|1,0,1]=4 3133 B12R1.1123 CCNc1cc(c(cc1O)Br)F 34a_100013038943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3134 B12R1.1123 CCNc1cc(c(cc1O)Br)F 7a_100013038943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3135 B12R1.1123 CCNc1cc(c(cc1O)C)Br 34a_200010235796_100000210202 [1,1,0,0,0,0|2,0,0]=4 3136 B12R1.1123 CCNc1cc(c(cc1O)C)Br 7a_200010235796_100000210202 [1,1,0,0,0,0|2,0,0]=4 3137 B12R1.1123 CCNc1cc(c(cc1O)C)C 34a_100133014134_100000210202 [1,1,0,0,0,0|1,0,1]=4 3138 B12R1.1123 CCNc1cc(c(cc1O)C)C 7a_100133014134_100000210202 [1,1,0,0,0,0|1,0,1]=4 3139 B12R1.1123 CCNc1cc(c(cc1O)C)Cl 34a_100000091707_100000210202 [1,1,0,0,0,0|2,0,0]=4 3140 B12R1.1123 CCNc1cc(c(cc1O)Cl)Br 34a_100013488937_100000210202 [1,1,0,0,0,0|2,0,0]=4 3141 B12R1.1123 CCNc1cc(c(cc1O)Cl)Br 7a_100013488937_100000210202 [1,1,0,0,0,0|2,0,0]=4 3142 B12R1.1123 CCNc1cc(c(cc1O)Cl)Cl 34a_100000696747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3143 B12R1.1123 CCNc1cc(c(cc1O)Cl)Cl 7a_100000696747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3144 B12R1.1123 CCNc1cc(c(cc1O)F)Br 34a_100012359894_100000210202 [1,1,0,0,0,0|2,0,0]=4 3145 B12R1.1123 CCNc1cc(c(cc1O)F)Br 7a_100012359894_100000210202 [1,1,0,0,0,0|2,0,0]=4 3146 B12R1.1123 CCNc1cc(c(cc1O)F)C 34a_100012022779_100000210202 [1,1,0,0,0,0|1,0,1]=4 3147 B12R1.1123 CCNc1cc(c(cc1O)F)C 7a_100012022779_100000210202 [1,1,0,0,0,0|1,0,1]=4 3148 B12R1.1123 CCNc1cc(c(cc1O)F)F 2230a_106722365970_100000210202 [1,1,0,0,0,0|2,0,0]=4 3149 B12R1.1123 CCNc1cc(c(cc1O)F)F 34a_106722365970_100000210202 [1,1,0,0,0,0|2,0,0]=4 3150 B12R1.1123 CCNc1cc(c(cc1O)F)F 7a_106722365970_100000210202 [1,1,0,0,0,0|2,0,0]=4 3151 B12R1.1123 CCOc1cc(c(cc1Br)C)C 34a_100009814663_100000210202 [1,1,0,0,0,0|1,0,1]=4 3152 B12R1.1123 CCOc1cc(c(cc1Br)C)C 7a_100009814663_100000210202 [1,1,0,0,0,0|1,0,1]=4 3153 B12R1.1123 CCOc1cc(c(cc1Br)Cl)C 34a_100022700756_100000210202 [1,1,0,0,0,0|1,0,1]=4 3154 B12R1.1123 CCOc1cc(c(cc1Br)Cl)C 7a_100022700756_100000210202 [1,1,0,0,0,0|1,0,1]=4 3155 B12R1.1123 CCOc1cc(c(cc1Br)F)F 34a_100009813768_100000210202 [1,1,0,0,0,0|2,0,0]=4 3156 B12R1.1123 CCOc1cc(c(cc1Br)F)F 7a_100009813768_100000210202 [1,1,0,0,0,0|2,0,0]=4 3157 B12R1.1123 CCOc1cc(c(cc1Br)N)Br 34a_100011080774_100000210202 [1,1,0,0,0,0|2,0,0]=4 3158 B12R1.1123 CCOc1cc(c(cc1Br)N)Br 7a_100011080774_100000210202 [1,1,0,0,0,0|2,0,0]=4 3159 B12R1.1123 CCOc1cc(c(cc1C)Br)C 34a_100000698207_100000210202 [1,1,0,0,0,0|1,0,1]=4 3160 B12R1.1123 CCOc1cc(c(cc1C)Br)C 7a_100000698207_100000210202 [1,1,0,0,0,0|1,0,1]=4 3161 B12R1.1123 CCOc1cc(c(cc1C)C)C 34a_200000047129_100000210202 [1,1,0,0,0,0|1,0,1]=4 3162 B12R1.1123 CCOc1cc(c(cc1C)C)C 7a_200000047129_100000210202 [1,1,0,0,0,0|1,0,1]=4 3163 B12R1.1123 CCOc1cc(c(cc1C)Cl)N 34a_100000092876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3164 B12R1.1123 CCOc1cc(c(cc1C)Cl)N 7a_100000092876_100000210202 [1,1,0,0,0,0|2,0,0]=4 3165 B12R1.1123 CCOc1cc(c(cc1C)F)Br 34a_100014242602_100000210202 [1,1,0,0,0,0|2,0,0]=4 3166 B12R1.1123 CCOc1cc(c(cc1C)F)Br 7a_100014242602_100000210202 [1,1,0,0,0,0|2,0,0]=4 3167 B12R1.1123 CCOc1cc(c(cc1C)F)C 34a_100010674473_100000210202 [1,1,0,0,0,0|1,0,1]=4 3168 B12R1.1123 CCOc1cc(c(cc1C)F)C 7a_100010674473_100000210202 [1,1,0,0,0,0|1,0,1]=4 3169 B12R1.1123 CCOc1cc(c(cc1C)F)F 34a_100000728840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3170 B12R1.1123 CCOc1cc(c(cc1C)F)F 7a_100000728840_100000210202 [1,1,0,0,0,0|2,0,0]=4 3171 B12R1.1123 CCOc1cc(c(cc1C)F)I 34a_100010080512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3172 B12R1.1123 CCOc1cc(c(cc1C)F)I 7a_100010080512_100000210202 [1,1,0,0,0,0|2,0,0]=4 3173 B12R1.1123 CCOc1cc(c(cc1C)F)N 34a_100000117193_100000210202 [1,1,0,0,0,0|2,0,0]=4 3174 B12R1.1123 CCOc1cc(c(cc1C)F)N 7a_100000117193_100000210202 [1,1,0,0,0,0|2,0,0]=4 3175 B12R1.1123 CCOc1cc(c(cc1C)I)C 34a_200011215153_100000210202 [1,1,0,0,0,0|1,0,1]=4 3176 B12R1.1123 CCOc1cc(c(cc1C)I)C 7a_200011215153_100000210202 [1,1,0,0,0,0|1,0,1]=4 3177 B12R1.1123 CCOc1cc(c(cc1C)N)C 34a_100000720036_100000210202 [1,1,0,0,0,0|1,0,1]=4 3178 B12R1.1123 CCOc1cc(c(cc1C)N)C 7a_100000720036_100000210202 [1,1,0,0,0,0|1,0,1]=4 3179 B12R1.1123 CCOc1cc(c(cc1Cl)Br)C 34a_200012350488_100000210202 [1,1,0,0,0,0|1,0,1]=4 3180 B12R1.1123 CCOc1cc(c(cc1Cl)Br)C 7a_200012350488_100000210202 [1,1,0,0,0,0|1,0,1]=4 3181 B12R1.1123 CCOc1cc(c(cc1Cl)Br)Cl 34a_100000719705_100000210202 [1,1,0,0,0,0|2,0,0]=4 3182 B12R1.1123 CCOc1cc(c(cc1Cl)Br)Cl 7a_100000719705_100000210202 [1,1,0,0,0,0|2,0,0]=4 3183 B12R1.1123 CCOc1cc(c(cc1Cl)Br)F 34a_100000726166_100000210202 [1,1,0,0,0,0|2,0,0]=4 3184 B12R1.1123 CCOc1cc(c(cc1Cl)Br)F 7a_100000726166_100000210202 [1,1,0,0,0,0|2,0,0]=4 3185 B12R1.1123 CCOc1cc(c(cc1Cl)Br)I 34a_100021297947_100000210202 [1,1,0,0,0,0|2,0,0]=4 3186 B12R1.1123 CCOc1cc(c(cc1Cl)Br)I 7a_100021297947_100000210202 [1,1,0,0,0,0|2,0,0]=4 3187 B12R1.1123 CCOc1cc(c(cc1Cl)C)C 34a_100000031796_100000210202 [1,1,0,0,0,0|1,0,1]=4 3188 B12R1.1123 CCOc1cc(c(cc1Cl)C)C 7a_100000031796_100000210202 [1,1,0,0,0,0|1,0,1]=4 3189 B12R1.1123 CCOc1cc(c(cc1Cl)C)N 34a_100009961766_100000210202 [1,1,0,0,0,0|2,0,0]=4 3190 B12R1.1123 CCOc1cc(c(cc1Cl)C)N 7a_100009961766_100000210202 [1,1,0,0,0,0|2,0,0]=4 3191 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Br 34a_100010203734_100000210202 [1,1,0,0,0,0|2,0,0]=4 3192 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Br 7a_100010203734_100000210202 [1,1,0,0,0,0|2,0,0]=4 3193 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)C 34a_100012002691_100000210202 [1,1,0,0,0,0|1,0,1]=4 3194 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)C 7a_100012002691_100000210202 [1,1,0,0,0,0|1,0,1]=4 3195 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Cl 34a_100000211312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3196 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)Cl 7a_100000211312_100000210202 [1,1,0,0,0,0|2,0,0]=4 3197 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)N 34a_100000037174_100000210202 [1,1,0,0,0,0|2,0,0]=4 3198 B12R1.1123 CCOc1cc(c(cc1Cl)Cl)N 7a_100000037174_100000210202 [1,1,0,0,0,0|2,0,0]=4 3199 B12R1.1123 CCOc1cc(c(cc1Cl)F)Br 34a_100010189047_100000210202 [1,1,0,0,0,0|2,0,0]=4 3200 B12R1.1123 CCOc1cc(c(cc1Cl)F)Br 7a_100010189047_100000210202 [1,1,0,0,0,0|2,0,0]=4 3201 B12R1.1123 CCOc1cc(c(cc1Cl)F)F 34a_100009848785_100000210202 [1,1,0,0,0,0|2,0,0]=4 3202 B12R1.1123 CCOc1cc(c(cc1Cl)F)F 7a_100009848785_100000210202 [1,1,0,0,0,0|2,0,0]=4 3203 B12R1.1123 CCOc1cc(c(cc1Cl)F)I 34a_100010735246_100000210202 [1,1,0,0,0,0|2,0,0]=4 3204 B12R1.1123 CCOc1cc(c(cc1Cl)F)I 7a_100010735246_100000210202 [1,1,0,0,0,0|2,0,0]=4 3205 B12R1.1123 CCOc1cc(c(cc1Cl)F)N 34a_100000042052_100000210202 [1,1,0,0,0,0|2,0,0]=4 3206 B12R1.1123 CCOc1cc(c(cc1Cl)F)N 7a_100000042052_100000210202 [1,1,0,0,0,0|2,0,0]=4 3207 B12R1.1123 CCOc1cc(c(cc1Cl)N)Cl 34a_100012000071_100000210202 [1,1,0,0,0,0|2,0,0]=4 3208 B12R1.1123 CCOc1cc(c(cc1Cl)N)Cl 7a_100012000071_100000210202 [1,1,0,0,0,0|2,0,0]=4 3209 B12R1.1123 CCOc1cc(c(cc1F)Br)C 34a_100012355673_100000210202 [1,1,0,0,0,0|1,0,1]=4 3210 B12R1.1123 CCOc1cc(c(cc1F)Br)C 7a_100012355673_100000210202 [1,1,0,0,0,0|1,0,1]=4 3211 B12R1.1123 CCOc1cc(c(cc1F)Br)F 34a_100011830439_100000210202 [1,1,0,0,0,0|2,0,0]=4 3212 B12R1.1123 CCOc1cc(c(cc1F)Br)F 7a_100011830439_100000210202 [1,1,0,0,0,0|2,0,0]=4 3213 B12R1.1123 CCOc1cc(c(cc1F)C)Br 34a_100010068922_100000210202 [1,1,0,0,0,0|2,0,0]=4 3214 B12R1.1123 CCOc1cc(c(cc1F)C)Br 7a_100010068922_100000210202 [1,1,0,0,0,0|2,0,0]=4 3215 B12R1.1123 CCOc1cc(c(cc1F)F)Br 34a_100012457948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3216 B12R1.1123 CCOc1cc(c(cc1F)F)Br 7a_100012457948_100000210202 [1,1,0,0,0,0|2,0,0]=4 3217 B12R1.1123 CCOc1cc(c(cc1F)F)F 34a_100000237555_100000210202 [1,1,0,0,0,0|2,0,0]=4 3218 B12R1.1123 CCOc1cc(c(cc1F)F)F 7a_100000237555_100000210202 [1,1,0,0,0,0|2,0,0]=4 3219 B12R1.1123 CCOc1cc(c(cc1F)F)I 34a_100015789030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3220 B12R1.1123 CCOc1cc(c(cc1F)F)I 7a_100015789030_100000210202 [1,1,0,0,0,0|2,0,0]=4 3221 B12R1.1123 CCOc1cc(c(cc1F)F)N 34a_100011219470_100000210202 [1,1,0,0,0,0|2,0,0]=4 3222 B12R1.1123 CCOc1cc(c(cc1F)F)N 7a_100011219470_100000210202 [1,1,0,0,0,0|2,0,0]=4 3223 B12R1.1123 CCOc1cc(c(cc1F)N)Cl 34a_100009886023_100000210202 [1,1,0,0,0,0|2,0,0]=4 3224 B12R1.1123 CCOc1cc(c(cc1F)N)Cl 7a_100009886023_100000210202 [1,1,0,0,0,0|2,0,0]=4 3225 B12R1.1123 CCOc1cc(c(cc1F)N)F 34a_100020635945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3226 B12R1.1123 CCOc1cc(c(cc1F)N)F 7a_100020635945_100000210202 [1,1,0,0,0,0|2,0,0]=4 3227 B12R1.1123 CCOc1cc(c(cc1I)F)F 34a_100010749349_100000210202 [1,1,0,0,0,0|2,0,0]=4 3228 B12R1.1123 CCOc1cc(c(cc1I)F)F 7a_100010749349_100000210202 [1,1,0,0,0,0|2,0,0]=4 3229 B12R1.1123 CCOc1cc(c(cc1N)Br)Br 34a_200010781931_100000210202 [1,1,0,0,0,0|2,0,0]=4 3230 B12R1.1123 CCOc1cc(c(cc1N)Br)Br 7a_200010781931_100000210202 [1,1,0,0,0,0|2,0,0]=4 3231 B12R1.1123 CCOc1cc(c(cc1N)Br)C 34a_200010235796_100000210202 [1,1,0,0,0,0|1,0,1]=4 3232 B12R1.1123 CCOc1cc(c(cc1N)Br)C 7a_200010235796_100000210202 [1,1,0,0,0,0|1,0,1]=4 3233 B12R1.1123 CCOc1cc(c(cc1N)Br)Cl 34a_100013488937_100000210202 [1,1,0,0,0,0|2,0,0]=4 3234 B12R1.1123 CCOc1cc(c(cc1N)Br)Cl 7a_100013488937_100000210202 [1,1,0,0,0,0|2,0,0]=4 3235 B12R1.1123 CCOc1cc(c(cc1N)Br)F 34a_100012359894_100000210202 [1,1,0,0,0,0|2,0,0]=4 3236 B12R1.1123 CCOc1cc(c(cc1N)Br)F 7a_100012359894_100000210202 [1,1,0,0,0,0|2,0,0]=4 3237 B12R1.1123 CCOc1cc(c(cc1N)C)Br 34a_200010107346_100000210202 [1,1,0,0,0,0|2,0,0]=4 3238 B12R1.1123 CCOc1cc(c(cc1N)C)Br 7a_200010107346_100000210202 [1,1,0,0,0,0|2,0,0]=4 3239 B12R1.1123 CCOc1cc(c(cc1N)C)C 34a_100133014134_100000210202 [1,1,0,0,0,0|1,0,1]=4 3240 B12R1.1123 CCOc1cc(c(cc1N)C)C 7a_100133014134_100000210202 [1,1,0,0,0,0|1,0,1]=4 3241 B12R1.1123 CCOc1cc(c(cc1N)C)F 34a_100012022779_100000210202 [1,1,0,0,0,0|2,0,0]=4 3242 B12R1.1123 CCOc1cc(c(cc1N)C)F 7a_100012022779_100000210202 [1,1,0,0,0,0|2,0,0]=4 3243 B12R1.1123 CCOc1cc(c(cc1N)Cl)C 34a_100000091707_100000210202 [1,1,0,0,0,0|1,0,1]=4 3244 B12R1.1123 CCOc1cc(c(cc1N)Cl)C 7a_100000091707_100000210202 [1,1,0,0,0,0|1,0,1]=4 3245 B12R1.1123 CCOc1cc(c(cc1N)Cl)Cl 34a_100000696747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3246 B12R1.1123 CCOc1cc(c(cc1N)Cl)Cl 7a_100000696747_100000210202 [1,1,0,0,0,0|2,0,0]=4 3247 B12R1.1123 CCOc1cc(c(cc1N)F)Br 34a_100013038943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3248 B12R1.1123 CCOc1cc(c(cc1N)F)Br 7a_100013038943_100000210202 [1,1,0,0,0,0|2,0,0]=4 3249 B12R1.1123 CCOc1cc(c(cc1N)F)F 34a_100011217416_100000210202 [1,1,0,0,0,0|2,0,0]=4 3250 B12R1.1123 CCOc1cc(c(cc1N)F)F 7a_100011217416_100000210202 [1,1,0,0,0,0|2,0,0]=4 3251 B12R1.1123 CCOc1cc(c(cc1N)I)Cl 34a_100011011175_100000210202 [1,1,0,0,0,0|2,0,0]=4 3252 B12R1.1123 CCOc1cc(c(cc1N)I)Cl 7a_100011011175_100000210202 [1,1,0,0,0,0|2,0,0]=4 3253 B12R1.1123 CCSc1cc(c(cc1O)C)C 62a_100000210202_100009814663 [1,1,0,0,0,0|0,1,1]=4 3254 B12R1.1123 CCSc1cc(c(cc1O)C)C 62a_100009814663_100000210202 [1,1,0,0,0,0|0,1,1]=4 3255 B12R1.1123 CCSc1cc(c(cc1O)F)F 62a_100000210202_100009813768 [1,1,0,0,0,0|1,1,0]=4 3256 B12R1.1123 CCSc1cc(c(cc1O)F)F 62a_100009813768_100000210202 [1,1,0,0,0,0|1,1,0]=4 3257 B12R1.41 C=Cc1cc(cc(c1)OCC)F 271570a_100011290941_100012343907 [1,1,0,0,0,0|1,0,0]=3 3258 B12R1.41 CC=Cc1cc(cc(c1)C=O)Br 271570a_100016259895_100010185649 [1,1,0,0,0,0|1,0,1]=4 3259 B12R1.41 CC=Cc1cc(cc(c1)C=O)C 271570a_100016259895_100000686105 [1,1,0,0,0,0|1,0,1]=4 3260 B12R1.41 CC=Cc1cc(cc(c1)C=O)F 271570a_100016259895_100011794424 [1,1,0,0,0,0|1,0,1]=4 3261 B12R1.41 CC=Cc1cc(cc(c1)C=O)O 271570a_100016259895_100010176088 [1,1,0,0,0,0|1,0,1]=4 3262 B12R1.41 CCOc1cc(cc(c1)C#N)Br 34a_100012180112_100000210202 [1,1,0,0,0,0|1,0,1]=4 3263 B12R1.41 CCOc1cc(cc(c1)C#N)Br 7a_100012180112_100000210202 [1,1,0,0,0,0|1,0,1]=4 3264 B12R1.41 CCOc1cc(cc(c1)C#N)C 34a_100009849966_100000210202 [1,1,0,0,0,0|1,0,1]=4 3265 B12R1.41 CCOc1cc(cc(c1)C#N)C 7a_100009849966_100000210202 [1,1,0,0,0,0|1,0,1]=4 3266 B12R1.41 CCOc1cc(cc(c1)C#N)Cl 34a_100000724442_100000210202 [1,1,0,0,0,0|1,0,1]=4 3267 B12R1.41 CCOc1cc(cc(c1)C#N)Cl 7a_100000724442_100000210202 [1,1,0,0,0,0|1,0,1]=4 3268 B12R1.41 CCOc1cc(cc(c1)C#N)F 34a_100000732150_100000210202 [1,1,0,0,0,0|1,0,1]=4 3269 B12R1.41 CCOc1cc(cc(c1)C#N)F 7a_100000732150_100000210202 [1,1,0,0,0,0|1,0,1]=4 3270 B12R1.41 CCOc1cc(cc(c1)CN)Cl 34a_107254831445_100000210202 [1,1,0,0,0,0|1,0,1]=4 3271 B12R1.41 CCOc1cc(cc(c1)CN)F 34a_100160469513_100000210202 [1,1,0,0,0,0|1,0,1]=4 3272 B12R1.41 CCOc1cc(cc(c1)CO)N 34a_200000124675_100000210202 [1,1,0,0,0,0|0,0,2]=4 3273 B12R1.41 CCOc1cc(cc(c1)OC)Br 34a_100010068927_100000210202 [1,1,0,0,0,0|2,0,0]=4 3274 B12R1.41 CCOc1cc(cc(c1)OC)Br 7a_100010068927_100000210202 [1,1,0,0,0,0|2,0,0]=4 3275 B12R1.41 CCOc1cc(cc(c1)OC)C 34a_100011216608_100000210202 [1,1,0,0,0,0|2,0,0]=4 3276 B12R1.41 CCOc1cc(cc(c1)OC)C 7a_100011216608_100000210202 [1,1,0,0,0,0|2,0,0]=4 3277 B12R1.41 CCOc1cc(cc(c1)OC)Cl 34a_100000051430_100000210202 [1,1,0,0,0,0|2,0,0]=4 3278 B12R1.41 CCOc1cc(cc(c1)OC)Cl 7a_100000051430_100000210202 [1,1,0,0,0,0|2,0,0]=4 3279 B12R1.41 CCOc1cc(cc(c1)OC)F 34a_100011369910_100000210202 [1,1,0,0,0,0|2,0,0]=4 3280 B12R1.41 CCOc1cc(cc(c1)OC)F 7a_100011369910_100000210202 [1,1,0,0,0,0|2,0,0]=4 3281 B12R1.41 CCOc1cc(cc(c1)OC)N 34a_200000692186_100000210202 [1,1,0,0,0,0|2,0,0]=4 3282 B12R1.41 CCOc1cc(cc(c1)OC)N 7a_200000692186_100000210202 [1,1,0,0,0,0|2,0,0]=4 3283 B12R1.41 CCOc1cc(cc(c1)SC)F 62a_100012343907_200000210301 [1,1,0,0,0,0|2,0,0]=4 3284 B12R1.41 CCOc1cc(cc(c1)SC)F 62a_200000210301_100012343907 [1,1,0,0,0,0|2,0,0]=4 3285 B12R1.41 CCOc1cc(cc(c1)S[13CH3])F 62a_100012343907_200025704644 [1,1,0,0,0,0|2,0,0]=4 3286 B12R1.41 CCOc1cc(cc(c1)S[13CH3])F 62a_200025704644_100012343907 [1,1,0,0,0,0|2,0,0]=4 3287 B12R1.41 CCSc1cc(cc(c1)C=O)Br 62a_100000210202_100010185649 [1,1,0,0,0,0|0,1,0]=3 3288 B12R1.41 CCSc1cc(cc(c1)C=O)Br 62a_100010185649_100000210202 [1,1,0,0,0,0|0,1,0]=3 3289 B12R1.41 CCSc1cc(cc(c1)C=O)C 62a_100000210202_100000686105 [1,1,0,0,0,0|0,1,0]=3 3290 B12R1.41 CCSc1cc(cc(c1)C=O)C 62a_100000686105_100000210202 [1,1,0,0,0,0|0,1,0]=3 3291 B12R1.41 CCSc1cc(cc(c1)C=O)F 62a_100000210202_100011794424 [1,1,0,0,0,0|0,1,0]=3 3292 B12R1.41 CCSc1cc(cc(c1)C=O)F 62a_100011794424_100000210202 [1,1,0,0,0,0|0,1,0]=3 3293 B12R1.41 CCSc1cc(cc(c1)C=O)O 62a_100000210202_100010176088 [1,1,0,0,0,0|0,1,0]=3 3294 B12R1.41 CCSc1cc(cc(c1)C=O)O 62a_100010176088_100000210202 [1,1,0,0,0,0|0,1,0]=3 3295 B12R1.41 CCSc1cc(nc(c1)C=O)C 62a_100000210202_100009814795 [1,1,0,0,0,0|1,1,0]=4 3296 B12R1.41 CCSc1cc(nc(c1)C=O)C 62a_100009814795_100000210202 [1,1,0,0,0,0|1,1,0]=4 3297 B12R1.41 Cc1cc(cc(c1)SCF)C=O 62a_100000686105_100015361967 [1,1,0,0,0,0|1,1,0]=4 3298 B12R1.41 Cc1cc(cc(c1)SCF)C=O 62a_100015361967_100000686105 [1,1,0,0,0,0|1,1,0]=4 3299 B12R1.41 O=Cc1cc(cc(c1)SCF)Br 62a_100010185649_100015361967 [1,1,0,0,0,0|1,1,0]=4 3300 B12R1.41 O=Cc1cc(cc(c1)SCF)Br 62a_100015361967_100010185649 [1,1,0,0,0,0|1,1,0]=4 3301 B12R1.41 O=Cc1cc(cc(c1)SCF)F 62a_100011794424_100015361967 [1,1,0,0,0,0|1,1,0]=4 3302 B12R1.41 O=Cc1cc(cc(c1)SCF)F 62a_100015361967_100011794424 [1,1,0,0,0,0|1,1,0]=4 3303 B12R1.41 O=Cc1cc(cc(c1)SCF)O 62a_100010176088_100015361967 [1,1,0,0,0,0|1,1,0]=4 3304 B12R1.41 O=Cc1cc(cc(c1)SCF)O 62a_100015361967_100010176088 [1,1,0,0,0,0|1,1,0]=4 3305 B12R1.278 C=C=Cc1cc(ccn1)OCC 271570a_100015277604_100011922638 [1,1,0,0,0,0|2,0,0]=4 3306 B12R1.278 C=C=Cc1cccc(c1)CCC 271570a_100015277604_100000694964 [1,1,0,0,0,0|2,0,0]=4 3307 B12R1.278 C=C=Cc1cccc(c1)NCC 271570a_100015277604_100000738899 [1,1,0,0,0,0|2,0,0]=4 3308 B12R1.278 C=C=Cc1cccc(c1)OCC 271570a_100015277604_100000170002 [1,1,0,0,0,0|1,0,0]=3 3309 B12R1.278 C=C=Cc1cccc(c1)SCC 271570a_100015277604_100000703699 [1,1,0,0,0,0|1,1,0]=4 3310 B12R1.278 C=C=Cc1cccc(n1)OCC 271570a_100015277604_100000752924 [1,1,0,0,0,0|2,0,0]=4 3311 B12R1.278 C=C=Cc1ccnc(c1)OCC 271570a_100015277604_100009995528 [1,1,0,0,0,0|2,0,0]=4 3312 B12R1.278 C=C=Cc1cncc(c1)OCC 271570a_100015277604_100012029586 [1,1,0,0,0,0|2,0,0]=4 3313 B12R1.278 C=CCc1cccc(c1)SCC 62a_100000210202_100009816576 [1,1,0,0,0,0|1,1,0]=4 3314 B12R1.278 C=CCc1cccc(c1)SCC 62a_100009816576_100000210202 [1,1,0,0,0,0|1,1,0]=4 3315 B12R1.278 CC=Cc1cc(ccn1)OCC 271570a_100016259895_100011922638 [1,1,0,0,0,0|2,0,0]=4 3316 B12R1.278 CC=Cc1cccc(c1)CC=O 271570a_100016259895_200000698211 [1,1,0,0,0,0|1,0,1]=4 3317 B12R1.278 CC=Cc1cccc(c1)CCC 271570a_100016259895_100000694964 [1,1,0,0,0,0|2,0,0]=4 3318 B12R1.278 CC=Cc1cccc(c1)NCC 271570a_100016259895_100000738899 [1,1,0,0,0,0|2,0,0]=4 3319 B12R1.278 CC=Cc1cccc(c1)OCC 271570a_100016259895_100000170002 [1,1,0,0,0,0|1,0,0]=3 3320 B12R1.278 CC=Cc1cccc(c1)SCC 271570a_100016259895_100000703699 [1,1,0,0,0,0|1,1,0]=4 3321 B12R1.278 CC=Cc1cccc(n1)OCC 271570a_100016259895_100000752924 [1,1,0,0,0,0|2,0,0]=4 3322 B12R1.278 CC=Cc1ccnc(c1)OCC 271570a_100016259895_100009995528 [1,1,0,0,0,0|2,0,0]=4 3323 B12R1.278 CC=Cc1cncc(c1)OCC 271570a_100016259895_100012029586 [1,1,0,0,0,0|2,0,0]=4 3324 B12R1.278 CCCc1cccc(c1)OCC 34a_100000039106_100000210202 [1,1,0,0,0,0|1,0,1]=4 3325 B12R1.278 CCCc1cccc(c1)OCC 7a_100000039106_100000210202 [1,1,0,0,0,0|1,0,1]=4 3326 B12R1.278 CCNc1cccc(c1)OCC 2230a_100000742568_100000210202 [1,1,0,0,0,0|1,0,1]=4 3327 B12R1.278 CCNc1cccc(c1)OCC 34a_100000717746_100000210202 [1,1,0,0,0,0|1,0,1]=4 3328 B12R1.278 CCNc1cccc(c1)OCC 34a_100000742568_100000210202 [1,1,0,0,0,0|1,0,1]=4 3329 B12R1.278 CCNc1cccc(c1)OCC 7a_100000717746_100000210202 [1,1,0,0,0,0|1,0,1]=4 3330 B12R1.278 CCOc1cccc(c1)CC#N 7a_100000696680_100000210202 [1,1,0,0,0,0|1,0,1]=4 3331 B12R1.278 CCOc1cccc(c1)CCN 34a_100000747277_100000210202 [1,1,0,0,0,0|1,0,1]=4 3332 B12R1.278 CCOc1cccc(c1)CCO 34a_100011215281_100000210202 [1,1,0,0,0,0|0,0,2]=4 3333 B12R1.278 CCOc1cccc(c1)CCO 7a_100011215281_100000210202 [1,1,0,0,0,0|0,0,2]=4 3334 B12R1.278 CCOc1cccc(c1)CNC 207a_100102657272_100000170239 [1,1,0,0,0,0|1,0,1]=4 3335 B12R1.278 CCOc1cccc(c1)CNC 2230a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3336 B12R1.278 CCOc1cccc(c1)CNC 270004a_106832991635_100000170239 [1,1,0,0,0,0|1,0,1]=4 3337 B12R1.278 CCOc1cccc(c1)CNC 34a_100000207540_100000210202 [1,1,0,0,0,0|1,0,1]=4 3338 B12R1.278 CCOc1cccc(c1)CNC 34a_106359896916_200000210301 [1,1,0,0,0,0|1,0,1]=4 3339 B12R1.278 CCOc1cccc(c1)CNN 34a_100000008902_100000210202 [1,1,0,0,0,0|1,0,1]=4 3340 B12R1.278 CCOc1cccc(c1)CN[13CH3] 2230a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3341 B12R1.278 CCOc1cccc(c1)CN[13CH3] 34a_106359896916_200025704644 [1,1,0,0,0,0|1,0,1]=4 3342 B12R1.278 CCOc1cccc(c1)COC 34a_200011232711_200000210301 [1,1,0,0,0,0|0,0,2]=4 3343 B12R1.278 CCOc1cccc(c1)COC 7a_200011232711_200000210301 [1,1,0,0,0,0|0,0,2]=4 3344 B12R1.278 CCOc1cccc(c1)CO[13CH3] 34a_200011232711_200025704644 [1,1,0,0,0,0|0,0,2]=4 3345 B12R1.278 CCOc1cccc(c1)CO[13CH3] 7a_200011232711_200025704644 [1,1,0,0,0,0|0,0,2]=4 3346 B12R1.278 CCOc1cccc(c1)NCF 34a_100000742568_100015361967 [1,1,0,0,0,0|1,0,1]=4 3347 B12R1.278 CCOc1cccc(c1)OCC 34a_100011215941_100000210202 [1,1,0,0,0,0|1,0,1]=4 3348 B12R1.278 CCOc1cccc(c1)OCC 7a_100011215941_100000210202 [1,1,0,0,0,0|1,0,1]=4 3349 B12R1.278 CCOc1cccc(c1)OCF 34a_100011215941_100015361967 [1,1,0,0,0,0|1,0,1]=4 3350 B12R1.278 CCOc1cccc(c1)OCF 7a_100011215941_100015361967 [1,1,0,0,0,0|1,0,1]=4 3351 B12R1.278 CCOc1cccc(c1)SCC 62a_100000210202_100000170002 [1,1,0,0,0,0|1,0,1]=4 3352 B12R1.278 CCOc1cccc(c1)SCF 62a_100015361967_100000170002 [1,1,0,0,0,0|1,0,1]=4 3353 B12R1.278 CCSc1cccc(c1)CC=O 62a_100000210202_200000698211 [1,1,0,0,0,0|0,1,0]=3 3354 B12R1.278 CCSc1cccc(c1)CC=O 62a_200000698211_100000210202 [1,1,0,0,0,0|0,1,0]=3 3355 B12R1.278 O=CCc1cccc(c1)SCF 62a_100015361967_200000698211 [1,1,0,0,0,0|1,1,0]=4 3356 B12R1.278 O=CCc1cccc(c1)SCF 62a_200000698211_100015361967 [1,1,0,0,0,0|1,1,0]=4 3357 B12R1.279 C=C(C)c1cc(ccn1)OCC 271570a_100000694244_100011922638 [1,1,0,0,0,0|2,0,0]=4 3358 B12R1.279 C=C(C)c1cccc(c1)CCC 271570a_100000694244_100000694964 [1,1,0,0,0,0|2,0,0]=4 3359 B12R1.279 C=C(C)c1cccc(c1)NCC 271570a_100000694244_100000738899 [1,1,0,0,0,0|2,0,0]=4 3360 B12R1.279 C=C(C)c1cccc(c1)OCC 271570a_100000694244_100000170002 [1,1,0,0,0,0|1,0,0]=3 3361 B12R1.279 C=C(C)c1cccc(c1)SCC 271570a_100000694244_100000703699 [1,1,0,0,0,0|1,1,0]=4 3362 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100000210202_100012123953 [1,1,0,0,0,0|1,1,0]=4 3363 B12R1.279 C=C(C)c1cccc(c1)SCC 62a_100012123953_100000210202 [1,1,0,0,0,0|1,1,0]=4 3364 B12R1.279 C=C(C)c1cccc(n1)OCC 271570a_100000694244_100000752924 [1,1,0,0,0,0|2,0,0]=4 3365 B12R1.279 C=C(C)c1ccnc(c1)OCC 271570a_100000694244_100009995528 [1,1,0,0,0,0|2,0,0]=4 3366 B12R1.279 C=C(C)c1cncc(c1)OCC 271570a_100000694244_100012029586 [1,1,0,0,0,0|2,0,0]=4 3367 B12R1.279 CC(=O)c1cccc(c1)CCO 1458a_100009869812_200000210301 [1,1,0,0,0,0|2,0,0]=4 3368 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_100000084091_200025704644 [1,1,0,0,0,0|2,0,0]=4 3369 B12R1.279 CC(=O)c1cccc(c1)CS[13CH3] 62a_200025704644_100000084091 [1,1,0,0,0,0|2,0,0]=4 3370 B12R1.279 CC(=O)c1cccc(c1)OCF 34a_100000211620_100015361967 [1,1,0,0,0,0|1,0,0]=3 3371 B12R1.279 CC(=O)c1cccc(c1)OCF 7a_100000211620_100015361967 [1,1,0,0,0,0|1,0,0]=3 3372 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100000210093_100015361967 [1,1,0,0,0,0|1,1,0]=4 3373 B12R1.279 CC(=O)c1cccc(c1)SCF 62a_100015361967_100000210093 [1,1,0,0,0,0|1,1,0]=4 3374 B12R1.279 CC=Cc1cccc(c1)C(=O)C 271570a_100016259895_100000210093 [1,1,0,0,0,0|1,0,1]=4 3375 B12R1.279 CC=Cc1cccc(c1)C(=O)N 271570a_100016259895_100000162208 [1,1,0,0,0,0|1,0,1]=4 3376 B12R1.279 CCNc1cccc(c1)C(=O)N 34a_100000217337_100000210202 [1,1,0,0,0,0|1,0,0]=3 3377 B12R1.279 CCNc1cccc(c1)[N+](=O)[O-] 34a_100000184103_100000210202 [1,1,0,0,0,0|2,0,0]=4 3378 B12R1.279 CCNc1cccc(n1)C(=O)C 27a_100015525214_100000085735 [1,1,0,0,0,0|2,0,0]=4 3379 B12R1.279 CCNc1cccc(n1)C(=O)N 27a_100015525214_100011834053 [1,1,0,0,0,0|2,0,0]=4 3380 B12R1.279 CCNc1ccnc(c1)C(=O)N 27a_100015525214_100000229564 [1,1,0,0,0,0|2,0,0]=4 3381 B12R1.279 CCOc1cccc(c1)C(=O)C 1458a_100000216331_200000210301 [1,1,0,0,0,0|0,0,0]=2 3382 B12R1.279 CCOc1cccc(c1)C(=O)C 34a_100000211620_100000210202 [1,1,0,0,0,0|0,0,0]=2 3383 B12R1.279 CCOc1cccc(c1)C(=O)C 7a_100000211620_100000210202 [1,1,0,0,0,0|0,0,0]=2 3384 B12R1.279 CCOc1cccc(c1)C(=O)N 34a_100000162170_100000210202 [1,1,0,0,0,0|0,0,0]=2 3385 B12R1.279 CCOc1cccc(c1)C(=O)N 7a_100000162170_100000210202 [1,1,0,0,0,0|0,0,0]=2 3386 B12R1.279 CCOc1cccc(c1)C(=O)[13CH3] 1458a_100000216331_200025704644 [1,1,0,0,0,0|0,0,0]=2 3387 B12R1.279 CCOc1cccc(c1)C(=S)N 7a_100000738086_100000210202 [1,1,0,0,0,0|0,1,0]=3 3388 B12R1.279 CCOc1cccc(c1)C(C)C 34a_100000211816_100000210202 [1,1,0,0,0,0|1,0,1]=4 3389 B12R1.279 CCOc1cccc(c1)C(C)C 7a_100000211816_100000210202 [1,1,0,0,0,0|1,0,1]=4 3390 B12R1.279 CCOc1cccc(c1)C(C)N 34a_100000740644_100000210202 [1,1,0,0,0,0|1,0,1]=4 3391 B12R1.279 CCOc1cccc(c1)C(C)N 7a_100000740644_100000210202 [1,1,0,0,0,0|1,0,1]=4 3392 B12R1.279 CCOc1cccc(c1)C(C)O 34a_100000748013_100000210202 [1,1,0,0,0,0|0,0,2]=4 3393 B12R1.279 CCOc1cccc(c1)C(C)O 7a_100000748013_100000210202 [1,1,0,0,0,0|0,0,2]=4 3394 B12R1.279 CCOc1cccc(c1)N(C)C 34a_100000738785_100000210202 [1,1,0,0,0,0|2,0,0]=4 3395 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 34a_100000185994_100000210202 [1,1,0,0,0,0|1,0,0]=3 3396 B12R1.279 CCOc1cccc(c1)[N+](=O)[O-] 7a_100000185994_100000210202 [1,1,0,0,0,0|1,0,0]=3 3397 B12R1.279 CCOc1cncc(c1)C(=O)N 7a_100000698036_100000210202 [1,1,0,0,0,0|1,0,0]=3 3398 B12R1.279 CCOc1cncc(c1)[N+](=O)[O-] 34a_100009862860_100000210202 [1,1,0,0,0,0|2,0,0]=4 3399 B12R1.279 CCOc1cncc(c1)[N+](=O)[O-] 7a_100009862860_100000210202 [1,1,0,0,0,0|2,0,0]=4 3400 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000210202_100000685609 [1,1,0,0,0,0|1,1,0]=4 3401 B12R1.279 CCSc1cc(ccn1)C(=O)C 62a_100000685609_100000210202 [1,1,0,0,0,0|1,1,0]=4 3402 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000210202_100000229836 [1,1,0,0,0,0|1,1,0]=4 3403 B12R1.279 CCSc1cc(ccn1)C(=O)N 62a_100000229836_100000210202 [1,1,0,0,0,0|1,1,0]=4 3404 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210093_100000210202 [1,1,0,0,0,0|0,1,0]=3 3405 B12R1.279 CCSc1cccc(c1)C(=O)C 62a_100000210202_100000210093 [1,1,0,0,0,0|0,1,0]=3 3406 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000162208_100000210202 [1,1,0,0,0,0|0,1,0]=3 3407 B12R1.279 CCSc1cccc(c1)C(=O)N 62a_100000210202_100000162208 [1,1,0,0,0,0|0,1,0]=3 3408 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100000210202_100009816267 [1,1,0,0,0,0|1,1,0]=4 3409 B12R1.279 CCSc1cccc(c1)S(=O)C 62a_100009816267_100000210202 [1,1,0,0,0,0|1,1,0]=4 3410 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100000210202_100009816502 [1,1,0,0,0,0|1,1,0]=4 3411 B12R1.279 CCSc1cccc(n1)C(=O)C 62a_100009816502_100000210202 [1,1,0,0,0,0|1,1,0]=4 3412 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100000210202_100011834053 [1,1,0,0,0,0|1,1,0]=4 3413 B12R1.279 CCSc1cccc(n1)C(=O)N 62a_100011834053_100000210202 [1,1,0,0,0,0|1,1,0]=4 3414 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000210202_100000709912 [1,1,0,0,0,0|1,1,0]=4 3415 B12R1.279 CCSc1ccnc(c1)C(=O)C 62a_100000709912_100000210202 [1,1,0,0,0,0|1,1,0]=4 3416 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000210202_100000229564 [1,1,0,0,0,0|1,1,0]=4 3417 B12R1.279 CCSc1ccnc(c1)C(=O)N 62a_100000229564_100000210202 [1,1,0,0,0,0|1,1,0]=4 3418 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100000210202_100011216243 [1,1,0,0,0,0|1,1,0]=4 3419 B12R1.279 CCSc1cncc(c1)C(=O)C 62a_100011216243_100000210202 [1,1,0,0,0,0|1,1,0]=4 3420 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000162242_100000210202 [1,1,0,0,0,0|1,1,0]=4 3421 B12R1.279 CCSc1cncc(c1)C(=O)N 62a_100000210202_100000162242 [1,1,0,0,0,0|1,1,0]=4 3422 B12R1.279 CNCc1cccc(c1)C(=O)C 2230a_106832991635_100000084091 [1,1,0,0,0,0|2,0,0]=4 3423 B12R1.279 CNCc1cccc(c1)C(=O)C 26a_100102657272_100000211620 [1,1,0,0,0,0|2,0,0]=4 3424 B12R1.279 CNCc1cccc(c1)C(=O)C 34a_100102657272_100000084091 [1,1,0,0,0,0|2,0,0]=4 3425 B12R1.279 CNCc1cccc(c1)C(=O)C 7a_106832991635_100000084091 [1,1,0,0,0,0|2,0,0]=4 3426 B12R1.279 CNCc1cccc(c1)C(=O)N 207a_100102657272_100000059704 [1,1,0,0,0,0|2,0,0]=4 3427 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_100000746036_200000210301 [1,1,0,0,0,0|2,0,0]=4 3428 B12R1.279 CNCc1cccc(c1)C(=O)N 2230a_106832991635_100000738444 [1,1,0,0,0,0|2,0,0]=4 3429 B12R1.279 CNCc1cccc(c1)C(=O)N 270004a_106832991635_100000059704 [1,1,0,0,0,0|2,0,0]=4 3430 B12R1.279 CNCc1cccc(c1)C(=O)N 34a_100102657272_100000738444 [1,1,0,0,0,0|2,0,0]=4 3431 B12R1.279 CNCc1cccc(c1)C(=O)N 7a_106832991635_100000738444 [1,1,0,0,0,0|2,0,0]=4 3432 B12R1.279 CNCc1cccc(c1)C(=O)O 269956a_100000752609_200000210301 [1,1,0,0,0,0|2,0,0]=4 3433 B12R1.279 CNCc1cccc(c1)C(=O)[O-] 26a_100102657272_200020627138 [1,1,0,0,0,0|2,0,0]=4 3434 B12R1.279 COCc1cccc(c1)C(=O)C 1458a_100000199024_200000210301 [1,1,0,0,0,0|2,0,0]=4 3435 B12R1.279 COCc1cccc(c1)C(=O)C 34a_100138415774_100000084091 [1,1,0,0,0,0|2,0,0]=4 3436 B12R1.279 COCc1cccc(c1)C(=O)N 34a_100138415774_100000738444 [1,1,0,0,0,0|2,0,0]=4 3437 B12R1.279 COCc1cccc(c1)C(=O)[13CH3] 1458a_100000199024_200025704644 [1,1,0,0,0,0|2,0,0]=4 3438 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_100000084091_200000210301 [1,1,0,0,0,0|2,0,0]=4 3439 B12R1.279 CSCc1cccc(c1)C(=O)C 62a_200000210301_100000084091 [1,1,0,0,0,0|2,0,0]=4 3440 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_100000738444_200000210301 [1,1,0,0,0,0|2,0,0]=4 3441 B12R1.279 CSCc1cccc(c1)C(=O)N 62a_200000210301_100000738444 [1,1,0,0,0,0|2,0,0]=4 3442 B12R1.279 NC(=O)c1cccc(c1)NCF 34a_100000217337_100015361967 [1,1,0,0,0,0|2,0,0]=4 3443 B12R1.279 NC(=O)c1cccc(c1)OCF 34a_100000162170_100015361967 [1,1,0,0,0,0|1,0,0]=3 3444 B12R1.279 NC(=O)c1cccc(c1)OCF 7a_100000162170_100015361967 [1,1,0,0,0,0|1,0,0]=3 3445 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100000162208_100015361967 [1,1,0,0,0,0|1,1,0]=4 3446 B12R1.279 NC(=O)c1cccc(c1)SCF 62a_100015361967_100000162208 [1,1,0,0,0,0|1,1,0]=4 3447 B12R1.279 NC(=O)c1cncc(c1)OCF 7a_100000698036_100015361967 [1,1,0,0,0,0|2,0,0]=4 3448 B12R1.279 NC(=S)c1cccc(c1)OCF 7a_100000738086_100015361967 [1,1,0,0,0,0|1,1,0]=4 3449 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 34a_100000185994_100015361967 [1,1,0,0,0,0|2,0,0]=4 3450 B12R1.279 O=[N+]([O-])c1cccc(c1)OCF 7a_100000185994_100015361967 [1,1,0,0,0,0|2,0,0]=4 3451 B12R1.279 [13CH3]C(=O)c1cccc(c1)CCO 1458a_100009869812_200025704644 [1,1,0,0,0,0|2,0,0]=4 3452 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)N 2230a_100000746036_200025704644 [1,1,0,0,0,0|2,0,0]=4 3453 B12R1.279 [13CH3]NCc1cccc(c1)C(=O)O 269956a_100000752609_200025704644 [1,1,0,0,0,0|2,0,0]=4 3454 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_100000738444_200025704644 [1,1,0,0,0,0|2,0,0]=4 3455 B12R1.279 [13CH3]SCc1cccc(c1)C(=O)N 62a_200025704644_100000738444 [1,1,0,0,0,0|2,0,0]=4 3456 B12R1.280 C=Cc1cccc(c1F)SCC 62a_100000210202_100010741937 [1,1,0,0,0,0|1,1,0]=4 3457 B12R1.280 C=Cc1cccc(c1F)SCC 62a_100010741937_100000210202 [1,1,0,0,0,0|1,1,0]=4 3458 B12R1.280 C=Cc1cccc(c1N)OCC 271570a_100011290941_200103155331 [1,1,0,0,0,0|1,0,0]=3 3459 B12R1.280 CC=Cc1cccc(c1C)C=O 271570a_100016259895_100012179384 [1,1,0,0,0,0|1,0,1]=4 3460 B12R1.280 CC=Cc1cccc(c1F)C=O 271570a_100016259895_100000766533 [1,1,0,0,0,0|1,0,1]=4 3461 B12R1.280 CC=Cc1cccc(c1N)C=O 271570a_100016259895_100010144990 [1,1,0,0,0,0|1,0,1]=4 3462 B12R1.280 CC=Cc1cccc(c1O)C=O 271570a_100016259895_100000737635 [1,1,0,0,0,0|1,0,1]=4 3463 B12R1.280 CCOc1cccc(c1Br)C#N 34a_100009818990_100000210202 [1,1,0,0,0,0|1,0,1]=4 3464 B12R1.280 CCOc1cccc(c1Br)C#N 7a_100009818990_100000210202 [1,1,0,0,0,0|1,0,1]=4 3465 B12R1.280 CCOc1cccc(c1Br)OC 34a_100010202623_100000210202 [1,1,0,0,0,0|2,0,0]=4 3466 B12R1.280 CCOc1cccc(c1Br)OC 7a_100010202623_100000210202 [1,1,0,0,0,0|2,0,0]=4 3467 B12R1.280 CCOc1cccc(c1C)C#N 34a_100000079589_100000210202 [1,1,0,0,0,0|1,0,1]=4 3468 B12R1.280 CCOc1cccc(c1C)C#N 7a_100000079589_100000210202 [1,1,0,0,0,0|1,0,1]=4 3469 B12R1.280 CCOc1cccc(c1C)CO 34a_200000084602_100000210202 [1,1,0,0,0,0|0,0,2]=4 3470 B12R1.280 CCOc1cccc(c1C)CO 7a_200000084602_100000210202 [1,1,0,0,0,0|0,0,2]=4 3471 B12R1.280 CCOc1cccc(c1Cl)C#N 34a_200009871651_100000210202 [1,1,0,0,0,0|1,0,1]=4 3472 B12R1.280 CCOc1cccc(c1Cl)C#N 7a_200009871651_100000210202 [1,1,0,0,0,0|1,0,1]=4 3473 B12R1.280 CCOc1cccc(c1Cl)OC 34a_100000087810_100000210202 [1,1,0,0,0,0|2,0,0]=4 3474 B12R1.280 CCOc1cccc(c1Cl)OC 7a_100000087810_100000210202 [1,1,0,0,0,0|2,0,0]=4 3475 B12R1.280 CCOc1cccc(c1F)C#N 34a_200000094591_100000210202 [1,1,0,0,0,0|1,0,1]=4 3476 B12R1.280 CCOc1cccc(c1F)C#N 7a_200000094591_100000210202 [1,1,0,0,0,0|1,0,1]=4 3477 B12R1.280 CCOc1cccc(c1F)CN 34a_100025773512_100000210202 [1,1,0,0,0,0|1,0,1]=4 3478 B12R1.280 CCOc1cccc(c1F)OC 34a_100000102366_100000210202 [1,1,0,0,0,0|2,0,0]=4 3479 B12R1.280 CCOc1cccc(c1F)OC 7a_100000102366_100000210202 [1,1,0,0,0,0|2,0,0]=4 3480 B12R1.280 CCOc1cccc(c1I)OC 34a_200010201982_100000210202 [1,1,0,0,0,0|2,0,0]=4 3481 B12R1.280 CCOc1cccc(c1I)OC 7a_200010201982_100000210202 [1,1,0,0,0,0|2,0,0]=4 3482 B12R1.280 CCOc1cccc(c1N)OC 34a_100012022766_100000210202 [1,1,0,0,0,0|2,0,0]=4 3483 B12R1.280 CCOc1cccc(c1N)OC 7a_100012022766_100000210202 [1,1,0,0,0,0|2,0,0]=4 3484 B12R1.280 CCOc1cccc(c1N)SC 62a_200103155331_200000210301 [1,1,0,0,0,0|2,0,0]=4 3485 B12R1.280 CCOc1cccc(c1N)S[13CH3] 62a_200103155331_200025704644 [1,1,0,0,0,0|2,0,0]=4 3486 B12R1.280 CCSc1cccc(c1C)C=O 62a_100000210202_100012179384 [1,1,0,0,0,0|0,1,0]=3 3487 B12R1.280 CCSc1cccc(c1C)C=O 62a_100012179384_100000210202 [1,1,0,0,0,0|0,1,0]=3 3488 B12R1.280 CCSc1cccc(c1F)C=O 62a_100000210202_100000766533 [1,1,0,0,0,0|0,1,0]=3 3489 B12R1.280 CCSc1cccc(c1F)C=O 62a_100000766533_100000210202 [1,1,0,0,0,0|0,1,0]=3 3490 B12R1.280 CCSc1cccc(c1N)C=O 62a_100010144990_100000210202 [1,1,0,0,0,0|0,1,0]=3 3491 B12R1.280 CCSc1cccc(c1O)C=O 62a_100000210202_100010171435 [1,1,0,0,0,0|0,1,0]=3 3492 B12R1.280 CCSc1ccnc(c1F)C=O 62a_100000210202_100015713984 [1,1,0,0,0,0|1,1,0]=4 3493 B12R1.280 CCSc1ccnc(c1F)C=O 62a_100015713984_100000210202 [1,1,0,0,0,0|1,1,0]=4 3494 B12R1.280 CCSc1cncc(c1C)C=O 62a_100000210202_100010214934 [1,1,0,0,0,0|1,1,0]=4 3495 B12R1.280 CCSc1cncc(c1C)C=O 62a_100010214934_100000210202 [1,1,0,0,0,0|1,1,0]=4 3496 B12R1.280 CCSc1cncc(c1N)C=O 62a_100000210202_100010729279 [1,1,0,0,0,0|1,1,0]=4 3497 B12R1.280 CCSc1cncc(c1N)C=O 62a_100010729279_100000210202 [1,1,0,0,0,0|1,1,0]=4 3498 B12R1.280 CCSc1cncc(c1O)C=O 62a_100000210202_100010729654 [1,1,0,0,0,0|1,1,0]=4 3499 B12R1.280 CCSc1cncc(c1O)C=O 62a_100010729654_100000210202 [1,1,0,0,0,0|1,1,0]=4 3500 B12R1.280 CCSc1nccc(c1C)C=O 62a_100000096011_100000210202 [1,1,0,0,0,0|1,1,0]=4 3501 B12R1.280 CCSc1nccc(c1C)C=O 62a_100000210202_100000096011 [1,1,0,0,0,0|1,1,0]=4 3502 B12R1.280 CCSc1nccc(c1F)C=O 62a_100000050688_100000210202 [1,1,0,0,0,0|1,1,0]=4 3503 B12R1.280 CCSc1nccc(c1F)C=O 62a_100000210202_100000050688 [1,1,0,0,0,0|1,1,0]=4 3504 B12R1.280 Cc1c(cccc1SCF)C=O 62a_100012179384_100015361967 [1,1,0,0,0,0|1,1,0]=4 3505 B12R1.280 Cc1c(cccc1SCF)C=O 62a_100015361967_100012179384 [1,1,0,0,0,0|1,1,0]=4 3506 B12R1.280 Nc1c(cccc1SCF)C=O 62a_100010144990_100015361967 [1,1,0,0,0,0|1,1,0]=4 3507 B12R1.280 O=Cc1cccc(c1F)SCF 62a_100000766533_100015361967 [1,1,0,0,0,0|1,1,0]=4 3508 B12R1.280 O=Cc1cccc(c1F)SCF 62a_100015361967_100000766533 [1,1,0,0,0,0|1,1,0]=4 3509 B12R1.280 O=Cc1cccc(c1O)SCF 62a_100015361967_100010171435 [1,1,0,0,0,0|1,1,0]=4 3510 B12R1.286 C=Cc1cc(ccc1C)OCC 271570a_100011290941_100011099959 [1,1,0,0,0,0|1,0,0]=3 3511 B12R1.286 C=Cc1cc(ccc1F)SCC 62a_100000210202_100000688377 [1,1,0,0,0,0|1,1,0]=4 3512 B12R1.286 C=Cc1cc(ccc1F)SCC 62a_100000688377_100000210202 [1,1,0,0,0,0|1,1,0]=4 3513 B12R1.286 CC=Cc1ccc(c(c1)C=O)Br 271570a_100016259895_100010185652 [1,1,0,0,0,0|1,0,1]=4 3514 B12R1.286 CC=Cc1ccc(c(c1)C=O)C 271570a_100016259895_100011361606 [1,1,0,0,0,0|1,0,1]=4 3515 B12R1.286 CC=Cc1ccc(c(c1)C=O)Cl 271570a_100016259895_100010254384 [1,1,0,0,0,0|1,0,1]=4 3516 B12R1.286 CC=Cc1ccc(c(c1)C=O)F 271570a_100016259895_100000211465 [1,1,0,0,0,0|1,0,1]=4 3517 B12R1.286 CC=Cc1ccc(c(c1)C=O)N 271570a_100016259895_100011935258 [1,1,0,0,0,0|1,0,1]=4 3518 B12R1.286 CC=Cc1ccc(c(c1)C=O)O 271570a_100016259895_100000186750 [1,1,0,0,0,0|1,0,1]=4 3519 B12R1.286 CCOc1cc(c(cn1)O)C=O 271570a_203496583355_200010223332 [1,1,0,0,0,0|1,0,0]=3 3520 B12R1.286 CCOc1ccc(c(c1)C#N)Br 34a_100009818209_100000210202 [1,1,0,0,0,0|1,0,1]=4 3521 B12R1.286 CCOc1ccc(c(c1)C#N)Br 7a_100009818209_100000210202 [1,1,0,0,0,0|1,0,1]=4 3522 B12R1.286 CCOc1ccc(c(c1)C#N)Cl 34a_100000092820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3523 B12R1.286 CCOc1ccc(c(c1)C#N)Cl 7a_100000092820_100000210202 [1,1,0,0,0,0|1,0,1]=4 3524 B12R1.286 CCOc1ccc(c(c1)C#N)F 34a_100000070142_100000210202 [1,1,0,0,0,0|1,0,1]=4 3525 B12R1.286 CCOc1ccc(c(c1)C#N)F 7a_100000070142_100000210202 [1,1,0,0,0,0|1,0,1]=4 3526 B12R1.286 CCOc1ccc(c(c1)C#N)N 34a_200011997737_100000210202 [1,1,0,0,0,0|1,0,1]=4 3527 B12R1.286 CCOc1ccc(c(c1)C#N)N 7a_200011997737_100000210202 [1,1,0,0,0,0|1,0,1]=4 3528 B12R1.286 CCOc1ccc(c(c1)C=O)O 271570a_203496583355_100012345016 [1,1,0,0,0,0|0,0,0]=2 3529 B12R1.286 CCOc1ccc(c(c1)CC)Cl 34a_100000212063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3530 B12R1.286 CCOc1ccc(c(c1)CC)Cl 7a_100000212063_100000210202 [1,1,0,0,0,0|1,0,1]=4 3531 B12R1.286 CCOc1ccc(c(c1)CN)C 34a_200009844824_100000210202 [1,1,0,0,0,0|1,0,1]=4 3532 B12R1.286 CCOc1ccc(c(c1)CO)Br 34a_100012351483_100000210202 [1,1,0,0,0,0|0,0,2]=4 3533 B12R1.286 CCOc1ccc(c(c1)CO)Br 7a_100012351483_100000210202 [1,1,0,0,0,0|0,0,2]=4 3534 B12R1.286 CCOc1ccc(c(c1)CO)C 34a_100009878257_100000210202 [1,1,0,0,0,0|0,0,2]=4 3535 B12R1.286 CCOc1ccc(c(c1)CO)C 7a_100009878257_100000210202 [1,1,0,0,0,0|0,0,2]=4 3536 B12R1.286 CCOc1ccc(c(c1)CO)Cl 34a_100000091669_100000210202 [1,1,0,0,0,0|0,0,2]=4 3537 B12R1.286 CCOc1ccc(c(c1)CO)Cl 7a_100000091669_100000210202 [1,1,0,0,0,0|0,0,2]=4 3538 B12R1.286 CCOc1ccc(c(c1)OC)Br 34a_100011827694_100000210202 [1,1,0,0,0,0|2,0,0]=4 3539 B12R1.286 CCOc1ccc(c(c1)OC)Br 7a_100011827694_100000210202 [1,1,0,0,0,0|2,0,0]=4 3540 B12R1.286 CCOc1ccc(c(c1)OC)C 34a_100009865632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3541 B12R1.286 CCOc1ccc(c(c1)OC)C 7a_100009865632_100000210202 [1,1,0,0,0,0|2,0,0]=4 3542 B12R1.286 CCOc1ccc(c(c1)OC)Cl 34a_100012186310_100000210202 [1,1,0,0,0,0|2,0,0]=4 3543 B12R1.286 CCOc1ccc(c(c1)OC)Cl 7a_100012186310_100000210202 [1,1,0,0,0,0|2,0,0]=4 3544 B12R1.286 CCOc1ccc(c(c1)OC)F 34a_100012001760_100000210202 [1,1,0,0,0,0|2,0,0]=4 3545 B12R1.286 CCOc1ccc(c(c1)OC)F 7a_100012001760_100000210202 [1,1,0,0,0,0|2,0,0]=4 3546 B12R1.286 CCOc1ccc(c(c1)OC)N 34a_100015326901_100000210202 [1,1,0,0,0,0|2,0,0]=4 3547 B12R1.286 CCOc1ccc(c(c1)OC)N 7a_100015326901_100000210202 [1,1,0,0,0,0|2,0,0]=4 3548 B12R1.286 CCOc1ccc(c(c1)SC)C 62a_200000210301_100011099959 [1,1,0,0,0,0|2,0,0]=4 3549 B12R1.286 CCOc1ccc(c(c1)S[13CH3])C 62a_200025704644_100011099959 [1,1,0,0,0,0|2,0,0]=4 3550 B12R1.286 CCSc1cc(c(cn1)Br)C=O 62a_100000210202_200135154921 [1,1,0,0,0,0|1,1,0]=4 3551 B12R1.286 CCSc1cc(c(cn1)Br)C=O 62a_200135154921_100000210202 [1,1,0,0,0,0|1,1,0]=4 3552 B12R1.286 CCSc1cc(c(cn1)F)C=O 62a_100000210202_100000707870 [1,1,0,0,0,0|1,1,0]=4 3553 B12R1.286 CCSc1cc(c(cn1)F)C=O 62a_100000707870_100000210202 [1,1,0,0,0,0|1,1,0]=4 3554 B12R1.286 CCSc1cc(c(cn1)O)C=O 62a_100000210202_100000048449 [1,1,0,0,0,0|1,1,0]=4 3555 B12R1.286 CCSc1ccc(c(c1)C=O)Br 62a_100000210202_100010185652 [1,1,0,0,0,0|0,1,0]=3 3556 B12R1.286 CCSc1ccc(c(c1)C=O)Br 62a_100010185652_100000210202 [1,1,0,0,0,0|0,1,0]=3 3557 B12R1.286 CCSc1ccc(c(c1)C=O)C 62a_100000210202_100011361606 [1,1,0,0,0,0|0,1,0]=3 3558 B12R1.286 CCSc1ccc(c(c1)C=O)C 62a_100011361606_100000210202 [1,1,0,0,0,0|0,1,0]=3 3559 B12R1.286 CCSc1ccc(c(c1)C=O)Cl 62a_100000210202_100010254384 [1,1,0,0,0,0|0,1,0]=3 3560 B12R1.286 CCSc1ccc(c(c1)C=O)Cl 62a_100010254384_100000210202 [1,1,0,0,0,0|0,1,0]=3 3561 B12R1.286 CCSc1ccc(c(c1)C=O)F 62a_100000050626_100000210202 [1,1,0,0,0,0|0,1,0]=3 3562 B12R1.286 CCSc1ccc(c(c1)C=O)F 62a_100000210202_100000050626 [1,1,0,0,0,0|0,1,0]=3 3563 B12R1.286 CCSc1ccc(c(c1)C=O)N 62a_100011935258_100000210202 [1,1,0,0,0,0|0,1,0]=3 3564 B12R1.286 CCSc1ccc(c(c1)C=O)O 62a_100000210202_100000186750 [1,1,0,0,0,0|0,1,0]=3 3565 B12R1.286 CCSc1ccc(c(n1)C=O)F 62a_100000210202_100009814804 [1,1,0,0,0,0|1,1,0]=4 3566 B12R1.286 CCSc1ccc(c(n1)C=O)F 62a_100009814804_100000210202 [1,1,0,0,0,0|1,1,0]=4 3567 B12R1.286 CCSc1cnc(c(c1)C=O)F 62a_100000210202_100009814789 [1,1,0,0,0,0|1,1,0]=4 3568 B12R1.286 CCSc1cnc(c(c1)C=O)F 62a_100009814789_100000210202 [1,1,0,0,0,0|1,1,0]=4 3569 B12R1.286 CCSc1cnc(c(c1)C=O)N 62a_100000210202_100009814808 [1,1,0,0,0,0|1,1,0]=4 3570 B12R1.286 CCSc1cnc(c(c1)C=O)N 62a_100009814808_100000210202 [1,1,0,0,0,0|1,1,0]=4 3571 B12R1.286 CCSc1cnc(c(c1)C=O)O 62a_100000210202_100010064889 [1,1,0,0,0,0|1,1,0]=4 3572 B12R1.286 CCSc1cnc(c(c1)C=O)O 62a_100010064889_100000210202 [1,1,0,0,0,0|1,1,0]=4 3573 B12R1.286 CNCc1ccc(c(c1)C=O)O 7a_106832991635_100000008128 [1,1,0,0,0,0|2,0,0]=4 3574 B12R1.286 CSCc1ccc(c(c1)C=O)O 62a_200000210301_100000008128 [1,1,0,0,0,0|2,0,0]=4 3575 B12R1.286 Cc1ccc(cc1C=O)SCF 62a_100011361606_100015361967 [1,1,0,0,0,0|1,1,0]=4 3576 B12R1.286 Cc1ccc(cc1C=O)SCF 62a_100015361967_100011361606 [1,1,0,0,0,0|1,1,0]=4 3577 B12R1.286 Nc1ccc(cc1C=O)SCF 62a_100011935258_100015361967 [1,1,0,0,0,0|1,1,0]=4 3578 B12R1.286 O=Cc1cc(ccc1Br)SCF 62a_100010185652_100015361967 [1,1,0,0,0,0|1,1,0]=4 3579 B12R1.286 O=Cc1cc(ccc1Br)SCF 62a_100015361967_100010185652 [1,1,0,0,0,0|1,1,0]=4 3580 B12R1.286 O=Cc1cc(ccc1Cl)SCF 62a_100010254384_100015361967 [1,1,0,0,0,0|1,1,0]=4 3581 B12R1.286 O=Cc1cc(ccc1Cl)SCF 62a_100015361967_100010254384 [1,1,0,0,0,0|1,1,0]=4 3582 B12R1.286 O=Cc1cc(ccc1F)SCF 62a_100000050626_100015361967 [1,1,0,0,0,0|1,1,0]=4 3583 B12R1.286 O=Cc1cc(ccc1F)SCF 62a_100015361967_100000050626 [1,1,0,0,0,0|1,1,0]=4 3584 B12R1.286 O=Cc1cc(ccc1O)SCF 62a_100015361967_100000186750 [1,1,0,0,0,0|1,1,0]=4 3585 B12R1.286 [13CH3]SCc1ccc(c(c1)C=O)O 62a_200025704644_100000008128 [1,1,0,0,0,0|2,0,0]=4 3586 B12R1.382 C#CCOc1cccc(c1)C=C 34a_100011309434_100000184674 [1,1,0,0,0,0|1,0,1]=4 3587 B12R1.382 C#CCOc1cccc(c1)C=C 7a_100011309434_100000038162 [1,1,0,0,0,0|1,0,1]=4 3588 B12R1.382 C#CCSc1cccc(c1)C=O 62a_100000038162_100000014684 [1,1,0,0,0,0|0,1,1]=4 3589 B12R1.382 C#Cc1cccc(c1)COCC 34a_100010272118_100000210202 [1,1,0,0,0,0|1,0,1]=4 3590 B12R1.382 C#Cc1cccc(c1)COCC 7a_100010272118_100000210202 [1,1,0,0,0,0|1,0,1]=4 3591 B12R1.382 C#Cc1cccc(c1)OCCC 34a_100011216014_100000210303 [1,1,0,0,0,0|1,0,1]=4 3592 B12R1.382 C#Cc1cccc(c1)OCCC 7a_100011216014_100000210303 [1,1,0,0,0,0|1,0,1]=4 3593 B12R1.382 C#Cc1cccc(c1)OCCF 34a_100011216014_100011217306 [1,1,0,0,0,0|1,0,1]=4 3594 B12R1.382 C#Cc1cccc(c1)OCCF 7a_100011216014_100011217306 [1,1,0,0,0,0|1,0,1]=4 3595 B12R1.382 C#Cc1cccc(c1)OCCO 34a_100011216014_100000211926 [1,1,0,0,0,0|1,0,1]=4 3596 B12R1.382 C#Cc1cccc(c1)OCCO 7a_100011216014_100000211926 [1,1,0,0,0,0|1,0,1]=4 3597 B12R1.382 C#Cc1cccc(c1)OCSC 34a_100011216014_100011218213 [1,1,0,0,0,0|1,0,1]=4 3598 B12R1.382 C=CCOc1cccc(c1)C=C 34a_100011309434_100015514636 [1,1,0,0,0,0|1,0,1]=4 3599 B12R1.382 C=CCOc1cccc(c1)C=C 7a_100011309434_100015514636 [1,1,0,0,0,0|1,0,1]=4 3600 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000014684_100000210623 [1,1,0,0,0,0|0,1,1]=4 3601 B12R1.382 C=CCSc1cccc(c1)C=O 62a_100000210623_100000014684 [1,1,0,0,0,0|0,1,1]=4 3602 B12R1.382 C=Cc1cccc(c1)CCCC 271570a_100011290941_200010244551 [1,1,0,0,0,0|2,0,0]=4 3603 B12R1.382 C=Cc1cccc(c1)CCCN 271570a_100011290941_100000753791 [1,1,0,0,0,0|2,0,0]=4 3604 B12R1.382 C=Cc1cccc(c1)CCCO 271570a_100011290941_100011709248 [1,1,0,0,0,0|2,0,0]=4 3605 B12R1.382 C=Cc1cccc(c1)CNCC 270004a_100015525214_100011218069 [1,1,0,0,0,0|2,0,0]=4 3606 B12R1.382 C=Cc1cccc(c1)CNCC 271570a_100011290941_100000187426 [1,1,0,0,0,0|2,0,0]=4 3607 B12R1.382 C=Cc1cccc(c1)COCC 271570a_100011290941_100011493694 [1,1,0,0,0,0|1,0,0]=3 3608 B12R1.382 C=Cc1cccc(c1)NCCC 34a_100011827668_100000210303 [1,1,0,0,0,0|2,0,0]=4 3609 B12R1.382 C=Cc1cccc(c1)NCCF 34a_100011827668_100011217306 [1,1,0,0,0,0|2,0,0]=4 3610 B12R1.382 C=Cc1cccc(c1)NCCO 34a_100011827668_100000211926 [1,1,0,0,0,0|2,0,0]=4 3611 B12R1.382 C=Cc1cccc(c1)NCSC 34a_100011827668_100011218213 [1,1,0,0,0,0|2,0,0]=4 3612 B12R1.382 C=Cc1cccc(c1)OCC#N 271570a_100011290941_200000169433 [1,1,0,0,0,0|1,0,1]=4 3613 B12R1.382 C=Cc1cccc(c1)OCC#N 7a_100011309434_100011215382 [1,1,0,0,0,0|1,0,1]=4 3614 B12R1.382 C=Cc1cccc(c1)OCC=O 34a_100011309434_200009817547 [1,1,0,0,0,0|1,0,1]=4 3615 B12R1.382 C=Cc1cccc(c1)OCC=O 7a_100011309434_200015260668 [1,1,0,0,0,0|1,0,1]=4 3616 B12R1.382 C=Cc1cccc(c1)OCCC 271570a_100011290941_100000170004 [1,1,0,0,0,0|1,0,0]=3 3617 B12R1.382 C=Cc1cccc(c1)OCCC 34a_100011309434_100000210303 [1,1,0,0,0,0|1,0,0]=3 3618 B12R1.382 C=Cc1cccc(c1)OCCC 7a_100011309434_100000210303 [1,1,0,0,0,0|1,0,0]=3 3619 B12R1.382 C=Cc1cccc(c1)OCCF 34a_100011309434_100011217306 [1,1,0,0,0,0|1,0,0]=3 3620 B12R1.382 C=Cc1cccc(c1)OCCF 7a_100011309434_100011217306 [1,1,0,0,0,0|1,0,0]=3 3621 B12R1.382 C=Cc1cccc(c1)OCCN 271570a_100011290941_100000743521 [1,1,0,0,0,0|1,0,0]=3 3622 B12R1.382 C=Cc1cccc(c1)OCCO 271570a_100011290941_100000757546 [1,1,0,0,0,0|1,0,0]=3 3623 B12R1.382 C=Cc1cccc(c1)OCCO 34a_100011309434_100000211926 [1,1,0,0,0,0|1,0,0]=3 3624 B12R1.382 C=Cc1cccc(c1)OCCO 7a_100011309434_100000211926 [1,1,0,0,0,0|1,0,0]=3 3625 B12R1.382 C=Cc1cccc(c1)OCOC 271570a_100011290941_100012265688 [1,1,0,0,0,0|1,0,0]=3 3626 B12R1.382 C=Cc1cccc(c1)OCSC 34a_100011309434_100011218213 [1,1,0,0,0,0|1,0,0]=3 3627 B12R1.382 C=Cc1cccc(c1)SCCC 271570a_100011290941_200009815762 [1,1,0,0,0,0|1,1,0]=4 3628 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100000210303_100011215241 [1,1,0,0,0,0|1,1,0]=4 3629 B12R1.382 C=Cc1cccc(c1)SCCC 62a_100011215241_100000210303 [1,1,0,0,0,0|1,1,0]=4 3630 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011215241_100011217306 [1,1,0,0,0,0|1,1,0]=4 3631 B12R1.382 C=Cc1cccc(c1)SCCF 62a_100011217306_100011215241 [1,1,0,0,0,0|1,1,0]=4 3632 B12R1.382 C=Cc1cccc(c1)SCCO 271570a_100011290941_200011756134 [1,1,0,0,0,0|1,1,0]=4 3633 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100000211926_100011215241 [1,1,0,0,0,0|1,1,0]=4 3634 B12R1.382 C=Cc1cccc(c1)SCCO 62a_100011215241_100000211926 [1,1,0,0,0,0|1,1,0]=4 3635 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100000766300_100011215241 [1,1,0,0,0,0|1,1,0]=4 3636 B12R1.382 C=Cc1cccc(c1)SCOC 62a_100011215241_100000766300 [1,1,0,0,0,0|1,1,0]=4 3637 B12R1.382 C=Cc1cccc(c1)SCSC 62a_100011215241_100011218213 [1,1,0,0,0,0|1,1,0]=4 3638 B12R1.382 C=Cc1cccc(c1)SCSC 62a_100011218213_100011215241 [1,1,0,0,0,0|1,1,0]=4 3639 B12R1.382 C=Cc1cccc(n1)OCCC 271570a_100011290941_200011960250 [1,1,0,0,0,0|2,0,0]=4 3640 B12R1.382 C=Cc1cncc(c1)OCCC 271570a_100011290941_200012029621 [1,1,0,0,0,0|2,0,0]=4 3641 B12R1.382 CCCCc1cc(ccn1)C=O 271570a_100020621405_100011290808 [1,1,0,0,0,0|2,0,0]=4 3642 B12R1.382 CCCCc1cccc(c1)C=O 271570a_100020621405_100000014684 [1,1,0,0,0,0|1,0,0]=3 3643 B12R1.382 CCCCc1cccc(n1)C=O 271570a_100020621405_100000688028 [1,1,0,0,0,0|2,0,0]=4 3644 B12R1.382 CCCCc1ccnc(c1)C=O 271570a_100020621405_100011998288 [1,1,0,0,0,0|2,0,0]=4 3645 B12R1.382 CCCCc1cncc(c1)C=O 271570a_100020621405_100000687066 [1,1,0,0,0,0|2,0,0]=4 3646 B12R1.382 CCCOc1cccc(c1)C#N 34a_100000184713_100000210303 [1,1,0,0,0,0|1,0,1]=4 3647 B12R1.382 CCCOc1cccc(c1)C#N 7a_100000184713_100000210303 [1,1,0,0,0,0|1,0,1]=4 3648 B12R1.382 CCCOc1cccc(c1)CBr 34a_100011660834_100000210303 [1,1,0,0,0,0|1,0,1]=4 3649 B12R1.382 CCCOc1cccc(c1)CBr 7a_100011660834_100000210303 [1,1,0,0,0,0|1,0,1]=4 3650 B12R1.382 CCCOc1cccc(c1)CC 34a_100000211550_100000210303 [1,1,0,0,0,0|1,0,1]=4 3651 B12R1.382 CCCOc1cccc(c1)CC 7a_100000211550_100000210303 [1,1,0,0,0,0|1,0,1]=4 3652 B12R1.382 CCCOc1cccc(c1)CCl 34a_100000084143_100000210303 [1,1,0,0,0,0|1,0,1]=4 3653 B12R1.382 CCCOc1cccc(c1)CCl 7a_100000084143_100000210303 [1,1,0,0,0,0|1,0,1]=4 3654 B12R1.382 CCCOc1cccc(c1)CN 34a_100000743036_100000210303 [1,1,0,0,0,0|1,0,1]=4 3655 B12R1.382 CCCOc1cccc(c1)CO 34a_100011214949_100000210303 [1,1,0,0,0,0|0,0,2]=4 3656 B12R1.382 CCCOc1cccc(c1)CO 7a_100011214949_100000210303 [1,1,0,0,0,0|0,0,2]=4 3657 B12R1.382 CCCOc1cccc(c1)NC 34a_100000756613_100000210303 [1,1,0,0,0,0|2,0,0]=4 3658 B12R1.382 CCCOc1cccc(c1)NC 7a_100000756613_100000210303 [1,1,0,0,0,0|2,0,0]=4 3659 B12R1.382 CCCOc1cccc(c1)OC 34a_100000211255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3660 B12R1.382 CCCOc1cccc(c1)OC 34a_100000748497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3661 B12R1.382 CCCOc1cccc(c1)OC 7a_100000211255_100000210303 [1,1,0,0,0,0|2,0,0]=4 3662 B12R1.382 CCCOc1cccc(c1)OC 7a_100000748497_200000210301 [1,1,0,0,0,0|2,0,0]=4 3663 B12R1.382 CCCOc1cccc(c1)O[13CH3] 34a_100000748497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3664 B12R1.382 CCCOc1cccc(c1)O[13CH3] 7a_100000748497_200025704644 [1,1,0,0,0,0|2,0,0]=4 3665 B12R1.382 CCCOc1cccc(c1)SC 34a_100011265683_100000210303 [1,1,0,0,0,0|2,0,0]=4 3666 B12R1.382 CCCOc1cccc(c1)SC 62a_100000170004_200000210301 [1,1,0,0,0,0|2,0,0]=4 3667 B12R1.382 CCCOc1cccc(c1)SC 62a_200000210301_100000170004 [1,1,0,0,0,0|2,0,0]=4 3668 B12R1.382 CCCOc1cccc(c1)SC 7a_100011265683_100000210303 [1,1,0,0,0,0|2,0,0]=4 3669 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_100000170004_200025704644 [1,1,0,0,0,0|2,0,0]=4 3670 B12R1.382 CCCOc1cccc(c1)S[13CH3] 62a_200025704644_100000170004 [1,1,0,0,0,0|2,0,0]=4 3671 B12R1.382 CCCSc1cc(ccn1)C=O 62a_100000210303_100011290808 [1,1,0,0,0,0|1,1,0]=4 3672 B12R1.382 CCCSc1cc(ccn1)C=O 62a_100011290808_100000210303 [1,1,0,0,0,0|1,1,0]=4 3673 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000014684_100000210303 [1,1,0,0,0,0|0,1,0]=3 3674 B12R1.382 CCCSc1cccc(c1)C=O 62a_100000210303_100000014684 [1,1,0,0,0,0|0,1,0]=3 3675 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000210303_100000688028 [1,1,0,0,0,0|1,1,0]=4 3676 B12R1.382 CCCSc1cccc(n1)C=O 62a_100000688028_100000210303 [1,1,0,0,0,0|1,1,0]=4 3677 B12R1.382 CCCSc1ccnc(c1)C=O 62a_100000210303_100011998288 [1,1,0,0,0,0|1,1,0]=4 3678 B12R1.382 CCCSc1ccnc(c1)C=O 62a_100011998288_100000210303 [1,1,0,0,0,0|1,1,0]=4 3679 B12R1.382 CCCSc1cncc(c1)C=O 62a_100000210303_100000687066 [1,1,0,0,0,0|1,1,0]=4 3680 B12R1.382 CCCSc1cncc(c1)C=O 62a_100000687066_100000210303 [1,1,0,0,0,0|1,1,0]=4 3681 B12R1.382 CCNCc1cccc(c1)C=O 2230a_100015525214_100009816774 [1,1,0,0,0,0|1,0,0]=3 3682 B12R1.382 CCOCc1cccc(c1)C#N 34a_100000753308_100000210202 [1,1,0,0,0,0|1,0,1]=4 3683 B12R1.382 CCOCc1cccc(c1)C#N 34a_100121572206_100000233786 [1,1,0,0,0,0|1,0,1]=4 3684 B12R1.382 CCOCc1cccc(c1)C#N 7a_100000753308_100000210202 [1,1,0,0,0,0|1,0,1]=4 3685 B12R1.382 CCOCc1cccc(c1)C=O 34a_100121572206_100009816774 [1,1,0,0,0,0|0,0,0]=2 3686 B12R1.382 CCOCc1cccc(c1)CBr 34a_100010188025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3687 B12R1.382 CCOCc1cccc(c1)CBr 7a_100010188025_100000210202 [1,1,0,0,0,0|1,0,1]=4 3688 B12R1.382 CCOCc1cccc(c1)CCl 34a_200000090956_100000210202 [1,1,0,0,0,0|1,0,1]=4 3689 B12R1.382 CCOCc1cccc(c1)CCl 7a_200000090956_100000210202 [1,1,0,0,0,0|1,0,1]=4 3690 B12R1.382 CCOCc1cccc(c1)CN 34a_100011269909_100000210202 [1,1,0,0,0,0|1,0,1]=4 3691 B12R1.382 CCOCc1cccc(c1)CO 34a_100121572206_100010188025 [1,1,0,0,0,0|0,0,2]=4 3692 B12R1.382 CCOCc1cccc(c1)OC 34a_100000198976_100000210202 [1,1,0,0,0,0|2,0,0]=4 3693 B12R1.382 CCOCc1cccc(c1)OC 34a_100121572206_100000688526 [1,1,0,0,0,0|2,0,0]=4 3694 B12R1.382 CCOCc1cccc(c1)SC 62a_100011493694_200000210301 [1,1,0,0,0,0|2,0,0]=4 3695 B12R1.382 CCOCc1cccc(c1)SC 62a_200000210301_100011493694 [1,1,0,0,0,0|2,0,0]=4 3696 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_100011493694_200025704644 [1,1,0,0,0,0|2,0,0]=4 3697 B12R1.382 CCOCc1cccc(c1)S[13CH3] 62a_200025704644_100011493694 [1,1,0,0,0,0|2,0,0]=4 3698 B12R1.382 CCSCc1cccc(c1)C=O 62a_100000210202_100009816774 [1,1,0,0,0,0|0,1,0]=3 3699 B12R1.382 CCSCc1cccc(c1)C=O 62a_100009816774_100000210202 [1,1,0,0,0,0|0,1,0]=3 3700 B12R1.382 CCc1cccc(c1)OCCF 34a_100000211550_100011217306 [1,1,0,0,0,0|1,0,1]=4 3701 B12R1.382 CCc1cccc(c1)OCCF 7a_100000211550_100011217306 [1,1,0,0,0,0|1,0,1]=4 3702 B12R1.382 CCc1cccc(c1)OCCO 34a_100000211550_100000211926 [1,1,0,0,0,0|1,0,1]=4 3703 B12R1.382 CCc1cccc(c1)OCCO 7a_100000211550_100000211926 [1,1,0,0,0,0|1,0,1]=4 3704 B12R1.382 CCc1cccc(c1)OCSC 34a_100000211550_100011218213 [1,1,0,0,0,0|1,0,1]=4 3705 B12R1.382 CNc1cccc(c1)OCCF 34a_100000756613_100011217306 [1,1,0,0,0,0|2,0,0]=4 3706 B12R1.382 CNc1cccc(c1)OCCF 7a_100000756613_100011217306 [1,1,0,0,0,0|2,0,0]=4 3707 B12R1.382 CNc1cccc(c1)OCCO 2230a_100011232151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3708 B12R1.382 CNc1cccc(c1)OCCO 34a_100000756613_100000211926 [1,1,0,0,0,0|2,0,0]=4 3709 B12R1.382 CNc1cccc(c1)OCCO 34a_100011232151_200000210301 [1,1,0,0,0,0|2,0,0]=4 3710 B12R1.382 CNc1cccc(c1)OCCO 7a_100000756613_100000211926 [1,1,0,0,0,0|2,0,0]=4 3711 B12R1.382 CNc1cccc(c1)OCOC 34a_100012265470_200000210301 [1,1,0,0,0,0|2,0,0]=4 3712 B12R1.382 CNc1cccc(c1)OCSC 34a_100000756613_100011218213 [1,1,0,0,0,0|2,0,0]=4 3713 B12R1.382 COCOc1cccc(c1)N[13CH3] 34a_100012265470_200025704644 [1,1,0,0,0,0|2,0,0]=4 3714 B12R1.382 COCOc1cccc(c1)SC 62a_100012265688_200000210301 [1,1,0,0,0,0|2,0,0]=4 3715 B12R1.382 COCOc1cccc(c1)SC 62a_200000210301_100012265688 [1,1,0,0,0,0|2,0,0]=4 3716 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_100012265688_200025704644 [1,1,0,0,0,0|2,0,0]=4 3717 B12R1.382 COCOc1cccc(c1)S[13CH3] 62a_200025704644_100012265688 [1,1,0,0,0,0|2,0,0]=4 3718 B12R1.382 COCSc1cc(ccn1)C=O 62a_100000766300_100011290808 [1,1,0,0,0,0|1,1,0]=4 3719 B12R1.382 COCSc1cc(ccn1)C=O 62a_100011290808_100000766300 [1,1,0,0,0,0|1,1,0]=4 3720 B12R1.382 COCSc1cccc(c1)C=O 62a_100000014684_100000766300 [1,1,0,0,0,0|0,1,0]=3 3721 B12R1.382 COCSc1cccc(c1)C=O 62a_100000766300_100000014684 [1,1,0,0,0,0|0,1,0]=3 3722 B12R1.382 COCSc1cccc(n1)C=O 62a_100000688028_100000766300 [1,1,0,0,0,0|1,1,0]=4 3723 B12R1.382 COCSc1cccc(n1)C=O 62a_100000766300_100000688028 [1,1,0,0,0,0|1,1,0]=4 3724 B12R1.382 COCSc1ccnc(c1)C=O 62a_100000766300_100011998288 [1,1,0,0,0,0|1,1,0]=4 3725 B12R1.382 COCSc1ccnc(c1)C=O 62a_100011998288_100000766300 [1,1,0,0,0,0|1,1,0]=4 3726 B12R1.382 COCSc1cncc(c1)C=O 62a_100000687066_100000766300 [1,1,0,0,0,0|1,1,0]=4 3727 B12R1.382 COCSc1cncc(c1)C=O 62a_100000766300_100000687066 [1,1,0,0,0,0|1,1,0]=4 3728 B12R1.382 COc1cccc(c1)OCCF 34a_100000211255_100011217306 [1,1,0,0,0,0|2,0,0]=4 3729 B12R1.382 COc1cccc(c1)OCCF 7a_100000211255_100011217306 [1,1,0,0,0,0|2,0,0]=4 3730 B12R1.382 COc1cccc(c1)OCCO 34a_100000211255_100000211926 [1,1,0,0,0,0|2,0,0]=4 3731 B12R1.382 COc1cccc(c1)OCCO 7a_100000211255_100000211926 [1,1,0,0,0,0|2,0,0]=4 3732 B12R1.382 COc1cccc(c1)OCSC 34a_100000211255_100011218213 [1,1,0,0,0,0|2,0,0]=4 3733 B12R1.382 CSCOc1cccc(c1)C#N 34a_100000184713_100011218213 [1,1,0,0,0,0|1,0,1]=4 3734 B12R1.382 CSCOc1cccc(c1)CBr 34a_100011660834_100011218213 [1,1,0,0,0,0|1,0,1]=4 3735 B12R1.382 CSCOc1cccc(c1)CCl 34a_100000084143_100011218213 [1,1,0,0,0,0|1,0,1]=4 3736 B12R1.382 CSCOc1cccc(c1)CN 34a_100000743036_100011218213 [1,1,0,0,0,0|1,0,1]=4 3737 B12R1.382 CSCOc1cccc(c1)CO 34a_100011214949_100011218213 [1,1,0,0,0,0|0,0,2]=4 3738 B12R1.382 CSCOc1cccc(c1)SC 34a_100011265683_100011218213 [1,1,0,0,0,0|2,0,0]=4 3739 B12R1.382 CSCSc1cc(ccn1)C=O 62a_100011218213_100011290808 [1,1,0,0,0,0|1,1,0]=4 3740 B12R1.382 CSCSc1cc(ccn1)C=O 62a_100011290808_100011218213 [1,1,0,0,0,0|1,1,0]=4 3741 B12R1.382 CSCSc1cccc(c1)C=O 62a_100000014684_100011218213 [1,1,0,0,0,0|0,1,0]=3 3742 B12R1.382 CSCSc1cccc(c1)C=O 62a_100011218213_100000014684 [1,1,0,0,0,0|0,1,0]=3 3743 B12R1.382 CSCSc1cccc(n1)C=O 62a_100000688028_100011218213 [1,1,0,0,0,0|1,1,0]=4 3744 B12R1.382 CSCSc1cccc(n1)C=O 62a_100011218213_100000688028 [1,1,0,0,0,0|1,1,0]=4 3745 B12R1.382 CSCSc1ccnc(c1)C=O 62a_100011218213_100011998288 [1,1,0,0,0,0|1,1,0]=4 3746 B12R1.382 CSCSc1ccnc(c1)C=O 62a_100011998288_100011218213 [1,1,0,0,0,0|1,1,0]=4 3747 B12R1.382 CSCSc1cncc(c1)C=O 62a_100000687066_100011218213 [1,1,0,0,0,0|1,1,0]=4 3748 B12R1.382 CSCSc1cncc(c1)C=O 62a_100011218213_100000687066 [1,1,0,0,0,0|1,1,0]=4 3749 B12R1.382 CSc1cccc(c1)OCCF 34a_100011265683_100011217306 [1,1,0,0,0,0|2,0,0]=4 3750 B12R1.382 CSc1cccc(c1)OCCF 7a_100011265683_100011217306 [1,1,0,0,0,0|2,0,0]=4 3751 B12R1.382 CSc1cccc(c1)OCCN 62a_100000743521_200000210301 [1,1,0,0,0,0|2,0,0]=4 3752 B12R1.382 CSc1cccc(c1)OCCN 62a_200000210301_100000743521 [1,1,0,0,0,0|2,0,0]=4 3753 B12R1.382 CSc1cccc(c1)OCCO 34a_100011265683_100000211926 [1,1,0,0,0,0|2,0,0]=4 3754 B12R1.382 CSc1cccc(c1)OCCO 62a_100000757546_200000210301 [1,1,0,0,0,0|2,0,0]=4 3755 B12R1.382 CSc1cccc(c1)OCCO 62a_200000210301_100000757546 [1,1,0,0,0,0|2,0,0]=4 3756 B12R1.382 CSc1cccc(c1)OCCO 7a_100011265683_100000211926 [1,1,0,0,0,0|2,0,0]=4 3757 B12R1.382 FCCOc1cccc(c1)CBr 34a_100011660834_100011217306 [1,1,0,0,0,0|1,0,1]=4 3758 B12R1.382 FCCOc1cccc(c1)CBr 7a_100011660834_100011217306 [1,1,0,0,0,0|1,0,1]=4 3759 B12R1.382 FCCOc1cccc(c1)CCl 34a_100000084143_100011217306 [1,1,0,0,0,0|1,0,1]=4 3760 B12R1.382 FCCOc1cccc(c1)CCl 7a_100000084143_100011217306 [1,1,0,0,0,0|1,0,1]=4 3761 B12R1.382 N#CCSc1cccc(c1)C=O 62a_100000014684_100011215382 [1,1,0,0,0,0|0,1,1]=4 3762 B12R1.382 N#CCSc1cccc(c1)C=O 62a_100011215382_100000014684 [1,1,0,0,0,0|0,1,1]=4 3763 B12R1.382 N#Cc1cccc(c1)OCCF 34a_100000184713_100011217306 [1,1,0,0,0,0|1,0,1]=4 3764 B12R1.382 N#Cc1cccc(c1)OCCF 7a_100000184713_100011217306 [1,1,0,0,0,0|1,0,1]=4 3765 B12R1.382 N#Cc1cccc(c1)OCCO 34a_100000184713_100000211926 [1,1,0,0,0,0|1,0,1]=4 3766 B12R1.382 N#Cc1cccc(c1)OCCO 7a_100000184713_100000211926 [1,1,0,0,0,0|1,0,1]=4 3767 B12R1.382 NCc1cccc(c1)OCCF 34a_100000743036_100011217306 [1,1,0,0,0,0|1,0,1]=4 3768 B12R1.382 NCc1cccc(c1)OCCO 34a_100000743036_100000211926 [1,1,0,0,0,0|1,0,1]=4 3769 B12R1.382 O=CCSc1cccc(c1)C=O 62a_100000014684_200015260668 [1,1,0,0,0,0|0,1,1]=4 3770 B12R1.382 O=CCSc1cccc(c1)C=O 62a_200015260668_100000014684 [1,1,0,0,0,0|0,1,1]=4 3771 B12R1.382 O=Cc1cc(ccn1)SCCF 62a_100011217306_100011998288 [1,1,0,0,0,0|1,1,0]=4 3772 B12R1.382 O=Cc1cc(ccn1)SCCF 62a_100011998288_100011217306 [1,1,0,0,0,0|1,1,0]=4 3773 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100000211926_100011998288 [1,1,0,0,0,0|1,1,0]=4 3774 B12R1.382 O=Cc1cc(ccn1)SCCO 62a_100011998288_100000211926 [1,1,0,0,0,0|1,1,0]=4 3775 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100009816774_100015361967 [1,1,0,0,0,0|1,1,0]=4 3776 B12R1.382 O=Cc1cccc(c1)CSCF 62a_100015361967_100009816774 [1,1,0,0,0,0|1,1,0]=4 3777 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100000014684_100011217306 [1,1,0,0,0,0|0,1,0]=3 3778 B12R1.382 O=Cc1cccc(c1)SCCF 62a_100011217306_100000014684 [1,1,0,0,0,0|0,1,0]=3 3779 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000014684_100000211926 [1,1,0,0,0,0|0,1,0]=3 3780 B12R1.382 O=Cc1cccc(c1)SCCO 62a_100000211926_100000014684 [1,1,0,0,0,0|0,1,0]=3 3781 B12R1.382 O=Cc1cccc(n1)SCCF 62a_100000688028_100011217306 [1,1,0,0,0,0|1,1,0]=4 3782 B12R1.382 O=Cc1cccc(n1)SCCF 62a_100011217306_100000688028 [1,1,0,0,0,0|1,1,0]=4 3783 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000211926_100000688028 [1,1,0,0,0,0|1,1,0]=4 3784 B12R1.382 O=Cc1cccc(n1)SCCO 62a_100000688028_100000211926 [1,1,0,0,0,0|1,1,0]=4 3785 B12R1.382 O=Cc1ccnc(c1)SCCF 62a_100011217306_100011290808 [1,1,0,0,0,0|1,1,0]=4 3786 B12R1.382 O=Cc1ccnc(c1)SCCF 62a_100011290808_100011217306 [1,1,0,0,0,0|1,1,0]=4 3787 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100000211926_100011290808 [1,1,0,0,0,0|1,1,0]=4 3788 B12R1.382 O=Cc1ccnc(c1)SCCO 62a_100011290808_100000211926 [1,1,0,0,0,0|1,1,0]=4 3789 B12R1.382 O=Cc1cncc(c1)SCCF 62a_100000687066_100011217306 [1,1,0,0,0,0|1,1,0]=4 3790 B12R1.382 O=Cc1cncc(c1)SCCF 62a_100011217306_100000687066 [1,1,0,0,0,0|1,1,0]=4 3791 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000211926_100000687066 [1,1,0,0,0,0|1,1,0]=4 3792 B12R1.382 O=Cc1cncc(c1)SCCO 62a_100000687066_100000211926 [1,1,0,0,0,0|1,1,0]=4 3793 B12R1.382 OCCOc1cccc(c1)CBr 34a_100011660834_100000211926 [1,1,0,0,0,0|1,0,1]=4 3794 B12R1.382 OCCOc1cccc(c1)CBr 7a_100011660834_100000211926 [1,1,0,0,0,0|1,0,1]=4 3795 B12R1.382 OCCOc1cccc(c1)CCl 34a_100000084143_100000211926 [1,1,0,0,0,0|1,0,1]=4 3796 B12R1.382 OCCOc1cccc(c1)CCl 7a_100000084143_100000211926 [1,1,0,0,0,0|1,0,1]=4 3797 B12R1.382 OCCOc1cccc(c1)CO 34a_100011214949_100000211926 [1,1,0,0,0,0|0,0,2]=4 3798 B12R1.382 OCCOc1cccc(c1)CO 7a_100011214949_100000211926 [1,1,0,0,0,0|0,0,2]=4 3799 B12R1.382 OCc1cccc(c1)OCCF 34a_100011214949_100011217306 [1,1,0,0,0,0|0,0,2]=4 3800 B12R1.382 OCc1cccc(c1)OCCF 7a_100011214949_100011217306 [1,1,0,0,0,0|0,0,2]=4 3801 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 2230a_100011232151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3802 B12R1.382 [13CH3]Nc1cccc(c1)OCCO 34a_100011232151_200025704644 [1,1,0,0,0,0|2,0,0]=4 3803 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_100000743521_200025704644 [1,1,0,0,0,0|2,0,0]=4 3804 B12R1.382 [13CH3]Sc1cccc(c1)OCCN 62a_200025704644_100000743521 [1,1,0,0,0,0|2,0,0]=4 3805 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_100000757546_200025704644 [1,1,0,0,0,0|2,0,0]=4 3806 B12R1.382 [13CH3]Sc1cccc(c1)OCCO 62a_200025704644_100000757546 [1,1,0,0,0,0|2,0,0]=4 3807 B12R1.435 C=Cc1cccc(c1)C(=O)CC 1458a_100011215009_100000210202 [1,1,0,0,0,0|2,0,0]=4 3808 B12R1.435 C=Cc1cccc(c1)C(=O)CC 271570a_100011290941_100000211677 [1,1,0,0,0,0|2,0,0]=4 3809 B12R1.435 C=Cc1cccc(c1)C(O)CC 271570a_100011290941_200013212081 [1,1,0,0,0,0|2,0,0]=4 3810 B12R1.435 C=Cc1cccc(c1)[C@@H](N)CC 271570a_100011290941_100102422761 [1,1,0,0,0,0|2,0,0]=4 3811 B12R1.438 C#Cc1cccc(c1)OC(C)C 34a_100011216014_100000210206 [1,1,0,0,0,0|1,0,1]=4 3812 B12R1.438 C#Cc1cccc(c1)OC(C)C 7a_100011216014_100000210206 [1,1,0,0,0,0|1,0,1]=4 3813 B12R1.438 C=Cc1cccc(c1)CC(C)C 271570a_100011290941_100010883412 [1,1,0,0,0,0|2,0,0]=4 3814 B12R1.438 C=Cc1cccc(c1)NC(C)C 271570a_100011290941_100000219649 [1,1,0,0,0,0|2,0,0]=4 3815 B12R1.438 C=Cc1cccc(c1)NC(C)C 34a_100011827668_100000210206 [1,1,0,0,0,0|2,0,0]=4 3816 B12R1.438 C=Cc1cccc(c1)OC(=O)C 271570a_100011290941_100009811612 [1,1,0,0,0,0|1,0,1]=4 3817 B12R1.438 C=Cc1cccc(c1)OC(C)C 271570a_100011290941_100000170003 [1,1,0,0,0,0|1,0,0]=3 3818 B12R1.438 C=Cc1cccc(c1)OC(C)C 34a_100011309434_100000210206 [1,1,0,0,0,0|1,0,0]=3 3819 B12R1.438 C=Cc1cccc(c1)OC(C)C 7a_100011309434_100000210206 [1,1,0,0,0,0|1,0,0]=3 3820 B12R1.438 C=Cc1cccc(c1)OC(F)F 271570a_100011290941_100000179092 [1,1,0,0,0,0|2,0,0]=4 3821 B12R1.438 C=Cc1cccc(c1)SC(C)C 271570a_100011290941_100009815759 [1,1,0,0,0,0|1,1,0]=4 3822 B12R1.438 C=Cc1cccc(c1)SC(C)C 62a_100000210206_100011215241 [1,1,0,0,0,0|1,1,0]=4 3823 B12R1.438 C=Cc1cccc(c1)SC(C)C 62a_100011215241_100000210206 [1,1,0,0,0,0|1,1,0]=4 3824 B12R1.438 C=Cc1cccc(n1)OC(C)C 271570a_100011290941_100000703025 [1,1,0,0,0,0|2,0,0]=4 3825 B12R1.438 C=Cc1ccnc(c1)OC(C)C 271570a_100011290941_100010247003 [1,1,0,0,0,0|2,0,0]=4 3826 B12R1.438 C=Cc1cncc(c1)OC(C)C 271570a_100011290941_100012029599 [1,1,0,0,0,0|2,0,0]=4 3827 B12R1.438 CC(=Cc1cccc(c1)C=O)C 271570a_100102525489_100000014684 [1,1,0,0,0,0|1,0,1]=4 3828 B12R1.438 CC(=O)Cc1cccc(c1)C=O 1458a_100000070787_100009816774 [1,1,0,0,0,0|1,0,1]=4 3829 B12R1.438 CC(C)Oc1cccc(c1)C#N 34a_100000184713_100000210206 [1,1,0,0,0,0|1,0,1]=4 3830 B12R1.438 CC(C)Oc1cccc(c1)C#N 7a_100000184713_100000210206 [1,1,0,0,0,0|1,0,1]=4 3831 B12R1.438 CC(C)Oc1cccc(c1)CBr 34a_100011660834_100000210206 [1,1,0,0,0,0|1,0,1]=4 3832 B12R1.438 CC(C)Oc1cccc(c1)CBr 7a_100011660834_100000210206 [1,1,0,0,0,0|1,0,1]=4 3833 B12R1.438 CC(C)Oc1cccc(c1)CCl 34a_100000084143_100000210206 [1,1,0,0,0,0|1,0,1]=4 3834 B12R1.438 CC(C)Oc1cccc(c1)CCl 7a_100000084143_100000210206 [1,1,0,0,0,0|1,0,1]=4 3835 B12R1.438 CC(C)Oc1cccc(c1)CN 34a_100000743036_100000210206 [1,1,0,0,0,0|1,0,1]=4 3836 B12R1.438 CC(C)Oc1cccc(c1)CO 34a_100011214949_100000210206 [1,1,0,0,0,0|0,0,2]=4 3837 B12R1.438 CC(C)Oc1cccc(c1)CO 7a_100011214949_100000210206 [1,1,0,0,0,0|0,0,2]=4 3838 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 2230a_100011194262_200025704644 [1,1,0,0,0,0|2,0,0]=4 3839 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 34a_100011194262_200025704644 [1,1,0,0,0,0|2,0,0]=4 3840 B12R1.438 CC(C)Oc1cccc(c1)N[13CH3] 7a_100011194262_200025704644 [1,1,0,0,0,0|2,0,0]=4 3841 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 34a_100000753242_200025704644 [1,1,0,0,0,0|2,0,0]=4 3842 B12R1.438 CC(C)Oc1cccc(c1)O[13CH3] 7a_100000753242_200025704644 [1,1,0,0,0,0|2,0,0]=4 3843 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_100000170003_200025704644 [1,1,0,0,0,0|2,0,0]=4 3844 B12R1.438 CC(C)Oc1cccc(c1)S[13CH3] 62a_200025704644_100000170003 [1,1,0,0,0,0|2,0,0]=4 3845 B12R1.438 CC(C)Sc1cc(ccn1)C=O 62a_100000210206_100011290808 [1,1,0,0,0,0|1,1,0]=4 3846 B12R1.438 CC(C)Sc1cc(ccn1)C=O 62a_100011290808_100000210206 [1,1,0,0,0,0|1,1,0]=4 3847 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000014684_100000210206 [1,1,0,0,0,0|0,1,0]=3 3848 B12R1.438 CC(C)Sc1cccc(c1)C=O 62a_100000210206_100000014684 [1,1,0,0,0,0|0,1,0]=3 3849 B12R1.438 CC(C)Sc1cccc(n1)C=O 62a_100000210206_100000688028 [1,1,0,0,0,0|1,1,0]=4 3850 B12R1.438 CC(C)Sc1cccc(n1)C=O 62a_100000688028_100000210206 [1,1,0,0,0,0|1,1,0]=4 3851 B12R1.438 CC(C)Sc1ccnc(c1)C=O 62a_100000210206_100011998288 [1,1,0,0,0,0|1,1,0]=4 3852 B12R1.438 CC(C)Sc1ccnc(c1)C=O 62a_100011998288_100000210206 [1,1,0,0,0,0|1,1,0]=4 3853 B12R1.438 CC(C)Sc1cncc(c1)C=O 62a_100000210206_100000687066 [1,1,0,0,0,0|1,1,0]=4 3854 B12R1.438 CC(C)Sc1cncc(c1)C=O 62a_100000687066_100000210206 [1,1,0,0,0,0|1,1,0]=4 3855 B12R1.438 CCc1cccc(c1)OC(C)C 34a_100000211550_100000210206 [1,1,0,0,0,0|1,0,1]=4 3856 B12R1.438 CCc1cccc(c1)OC(C)C 7a_100000211550_100000210206 [1,1,0,0,0,0|1,0,1]=4 3857 B12R1.438 CN(C)Cc1cccc(c1)C=O 2230a_100102631434_100009816774 [1,1,0,0,0,0|2,0,0]=4 3858 B12R1.438 CN(C)Cc1cccc(c1)C=O 269982a_100102631434_100009816774 [1,1,0,0,0,0|2,0,0]=4 3859 B12R1.438 CNc1cccc(c1)OC(C)C 2230a_100011194262_200000210301 [1,1,0,0,0,0|2,0,0]=4 3860 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 3861 B12R1.438 CNc1cccc(c1)OC(C)C 34a_100011194262_200000210301 [1,1,0,0,0,0|2,0,0]=4 3862 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100000756613_100000210206 [1,1,0,0,0,0|2,0,0]=4 3863 B12R1.438 CNc1cccc(c1)OC(C)C 7a_100011194262_200000210301 [1,1,0,0,0,0|2,0,0]=4 3864 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000211255_100000210206 [1,1,0,0,0,0|2,0,0]=4 3865 B12R1.438 COc1cccc(c1)OC(C)C 34a_100000753242_200000210301 [1,1,0,0,0,0|2,0,0]=4 3866 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000211255_100000210206 [1,1,0,0,0,0|2,0,0]=4 3867 B12R1.438 COc1cccc(c1)OC(C)C 7a_100000753242_200000210301 [1,1,0,0,0,0|2,0,0]=4 3868 B12R1.438 CSc1cccc(c1)OC(C)C 34a_100011265683_100000210206 [1,1,0,0,0,0|2,0,0]=4 3869 B12R1.438 CSc1cccc(c1)OC(C)C 62a_100000170003_200000210301 [1,1,0,0,0,0|2,0,0]=4 3870 B12R1.438 CSc1cccc(c1)OC(C)C 62a_200000210301_100000170003 [1,1,0,0,0,0|2,0,0]=4 3871 B12R1.438 CSc1cccc(c1)OC(C)C 7a_100011265683_100000210206 [1,1,0,0,0,0|2,0,0]=4 3872 B12R1.56 C=C(C)c1ccc(c(c1)CC)Br 271570a_100000694244_100010244631 [1,1,0,0,0,0|2,0,0]=4 3873 B12R1.56 C=C(C)c1ccc(c(c1)CC)F 271570a_100000694244_100010244625 [1,1,0,0,0,0|2,0,0]=4 3874 B12R1.56 C=C(C)c1ccc(c(c1)CC)N 271570a_100000694244_100000686106 [1,1,0,0,0,0|2,0,0]=4 3875 B12R1.56 C=C(C)c1ccc(c(c1)CC)O 271570a_100000694244_100012338938 [1,1,0,0,0,0|1,0,0]=3 3876 B12R1.56 C=C(C)c1ccc(c(c1)CN)O 271570a_100000694244_100000730032 [1,1,0,0,0,0|2,0,0]=4 3877 B12R1.56 C=C(C)c1ccc(c(c1)CO)O 271570a_100000694244_100000184703 [1,1,0,0,0,0|2,0,0]=4 3878 B12R1.56 C=C(C)c1ccc(c(c1)OC)Br 271570a_100000694244_100012353699 [1,1,0,0,0,0|2,0,0]=4 3879 B12R1.56 C=C(C)c1ccc(c(c1)OC)C 271570a_100000694244_100011830276 [1,1,0,0,0,0|2,0,0]=4 3880 B12R1.56 C=C(C)c1ccc(c(c1)OC)Cl 271570a_100000694244_100011356853 [1,1,0,0,0,0|2,0,0]=4 3881 B12R1.56 C=C(C)c1ccc(c(c1)OC)F 271570a_100000694244_100011934186 [1,1,0,0,0,0|2,0,0]=4 3882 B12R1.56 C=C(C)c1ccc(c(c1)OC)N 271570a_100000694244_100011279103 [1,1,0,0,0,0|2,0,0]=4 3883 B12R1.56 C=C(C)c1ccc(c(c1)OC)O 271570a_100000694244_100000694246 [1,1,0,0,0,0|1,0,0]=3 3884 B12R1.56 C=C(C)c1ccc(c(n1)OC)O 271570a_100000694244_100010893133 [1,1,0,0,0,0|2,0,0]=4 3885 B12R1.56 C=Cc1cc(ccc1O)C(=O)C 271570a_100011290941_100011772453 [1,1,0,0,0,0|0,0,2]=4 3886 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200000210301 [1,1,0,0,0,0|1,0,1]=4 3887 B12R1.56 CC(=O)c1ccc(c(c1)C#N)O 271570a_203496583355_100010125495 [1,1,0,0,0,0|1,0,1]=4 3888 B12R1.56 CC(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200000210301 [1,1,0,0,0,0|2,0,0]=4 3889 B12R1.56 CC(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200000210301 [1,1,0,0,0,0|2,0,0]=4 3890 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 34a_100000084092_200025704644 [1,1,0,0,0,0|1,0,0]=3 3891 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])C 7a_100000084092_200025704644 [1,1,0,0,0,0|1,0,0]=3 3892 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 34a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 3893 B12R1.56 CC(=O)c1ccc(c(c1)O[13CH3])F 7a_100000117923_200025704644 [1,1,0,0,0,0|1,0,0]=3 3894 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_100010146556_200025704644 [1,1,0,0,0,0|1,1,0]=4 3895 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])Br 62a_200025704644_100010146556 [1,1,0,0,0,0|1,1,0]=4 3896 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_100011934287_200025704644 [1,1,0,0,0,0|1,1,0]=4 3897 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])C 62a_200025704644_100011934287 [1,1,0,0,0,0|1,1,0]=4 3898 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_100000239719_200025704644 [1,1,0,0,0,0|1,1,0]=4 3899 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])F 62a_200025704644_100000239719 [1,1,0,0,0,0|1,1,0]=4 3900 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])N 62a_100012029215_200025704644 [1,1,0,0,0,0|1,1,0]=4 3901 B12R1.56 CC(=O)c1ccc(c(c1)S[13CH3])O 62a_100011772453_200025704644 [1,1,0,0,0,0|0,1,0]=3 3902 B12R1.56 CCc1cc(ccc1Br)C(=O)C 1458a_100010152358_200000210301 [1,1,0,0,0,0|1,0,0]=3 3903 B12R1.56 CCc1cc(ccc1Br)C(=O)[13CH3] 1458a_100010152358_200025704644 [1,1,0,0,0,0|1,0,0]=3 3904 B12R1.56 CCc1cc(ccc1Cl)C(=O)C 1458a_100000102533_200000210301 [1,1,0,0,0,0|1,0,0]=3 3905 B12R1.56 CCc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000102533_200025704644 [1,1,0,0,0,0|1,0,0]=3 3906 B12R1.56 CCc1cc(ccc1F)C(=O)C 1458a_100009883079_200000210301 [1,1,0,0,0,0|1,0,0]=3 3907 B12R1.56 CCc1cc(ccc1F)C(=O)[13CH3] 1458a_100009883079_200025704644 [1,1,0,0,0,0|1,0,0]=3 3908 B12R1.56 CNc1cc(ccc1C)C(=O)N 34a_100000188646_200000210301 [1,1,0,0,0,0|2,0,0]=4 3909 B12R1.56 CNc1cc(ccc1C)C(=O)N 7a_100000188646_200000210301 [1,1,0,0,0,0|2,0,0]=4 3910 B12R1.56 CNc1cc(ccc1Cl)C(=O)N 34a_100000736751_200000210301 [1,1,0,0,0,0|2,0,0]=4 3911 B12R1.56 CNc1cc(ccc1F)C(=O)N 34a_100000740466_200000210301 [1,1,0,0,0,0|2,0,0]=4 3912 B12R1.56 CNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200000210301 [1,1,0,0,0,0|2,0,0]=4 3913 B12R1.56 COc1cc(ccc1Br)C(=O)C 1458a_100011934951_200000210301 [1,1,0,0,0,0|1,0,0]=3 3914 B12R1.56 COc1cc(ccc1Br)C(=O)N 34a_100012344895_200000210301 [1,1,0,0,0,0|1,0,0]=3 3915 B12R1.56 COc1cc(ccc1Br)C(=O)N 7a_100012344895_200000210301 [1,1,0,0,0,0|1,0,0]=3 3916 B12R1.56 COc1cc(ccc1Br)C(=O)[13CH3] 1458a_100011934951_200025704644 [1,1,0,0,0,0|1,0,0]=3 3917 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3918 B12R1.56 COc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200000210301 [1,1,0,0,0,0|2,0,0]=4 3919 B12R1.56 COc1cc(ccc1C)C(=O)C 1458a_100000212341_200000210301 [1,1,0,0,0,0|1,0,0]=3 3920 B12R1.56 COc1cc(ccc1C)C(=O)C 34a_100000084092_200000210301 [1,1,0,0,0,0|1,0,0]=3 3921 B12R1.56 COc1cc(ccc1C)C(=O)C 7a_100000084092_200000210301 [1,1,0,0,0,0|1,0,0]=3 3922 B12R1.56 COc1cc(ccc1C)C(=O)[13CH3] 1458a_100000212341_200025704644 [1,1,0,0,0,0|1,0,0]=3 3923 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3924 B12R1.56 COc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3925 B12R1.56 COc1cc(ccc1Cl)C(=O)C 1458a_100000181799_200000210301 [1,1,0,0,0,0|1,0,0]=3 3926 B12R1.56 COc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100000181799_200025704644 [1,1,0,0,0,0|1,0,0]=3 3927 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3928 B12R1.56 COc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200000210301 [1,1,0,0,0,0|2,0,0]=4 3929 B12R1.56 COc1cc(ccc1F)C(=O)C 1458a_100000757635_200000210301 [1,1,0,0,0,0|1,0,0]=3 3930 B12R1.56 COc1cc(ccc1F)C(=O)C 34a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 3931 B12R1.56 COc1cc(ccc1F)C(=O)C 7a_100000117923_200000210301 [1,1,0,0,0,0|1,0,0]=3 3932 B12R1.56 COc1cc(ccc1F)C(=O)[13CH3] 1458a_100000757635_200025704644 [1,1,0,0,0,0|1,0,0]=3 3933 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 3934 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200000210301 [1,1,0,0,0,0|2,0,0]=4 3935 B12R1.56 COc1cc(ccc1I)C(=O)C 1458a_100012356290_200000210301 [1,1,0,0,0,0|1,0,0]=3 3936 B12R1.56 COc1cc(ccc1I)C(=O)[13CH3] 1458a_100012356290_200025704644 [1,1,0,0,0,0|1,0,0]=3 3937 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3938 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200000210301 [1,1,0,0,0,0|2,0,0]=4 3939 B12R1.56 COc1cc(ccc1N)C(=O)N 34a_100011850428_200000210301 [1,1,0,0,0,0|1,0,0]=3 3940 B12R1.56 COc1cc(ccc1N)C(=O)N 7a_100011850428_200000210301 [1,1,0,0,0,0|1,0,0]=3 3941 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 3942 B12R1.56 COc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200000210301 [1,1,0,0,0,0|2,0,0]=4 3943 B12R1.56 COc1cc(ccc1O)B(O)O 271570a_203496583355_100012355544 [1,1,0,0,0,0|1,0,1]=4 3944 B12R1.56 COc1cc(ccc1O)C(=O)C 1458a_100000687070_200000210301 [1,1,0,0,0,0|0,0,0]=2 3945 B12R1.56 COc1cc(ccc1O)C(=O)C 271570a_203496583355_100010110075 [1,1,0,0,0,0|0,0,0]=2 3946 B12R1.56 COc1cc(ccc1O)C(=O)N 271570a_203496583355_100009817049 [1,1,0,0,0,0|0,0,0]=2 3947 B12R1.56 COc1cc(ccc1O)C(=O)[13CH3] 1458a_100000687070_200025704644 [1,1,0,0,0,0|0,0,0]=2 3948 B12R1.56 COc1cc(ccc1O)C(C)C 271570a_203496583355_100021623167 [1,1,0,0,0,0|1,0,1]=4 3949 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_100010146556_200000210301 [1,1,0,0,0,0|1,1,0]=4 3950 B12R1.56 CSc1cc(ccc1Br)C(=O)C 62a_200000210301_100010146556 [1,1,0,0,0,0|1,1,0]=4 3951 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_100011934287_200000210301 [1,1,0,0,0,0|1,1,0]=4 3952 B12R1.56 CSc1cc(ccc1C)C(=O)C 62a_200000210301_100011934287 [1,1,0,0,0,0|1,1,0]=4 3953 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_100000186401_200000210301 [1,1,0,0,0,0|1,1,0]=4 3954 B12R1.56 CSc1cc(ccc1C)C(=O)N 62a_200000210301_100000186401 [1,1,0,0,0,0|1,1,0]=4 3955 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_100000239719_200000210301 [1,1,0,0,0,0|1,1,0]=4 3956 B12R1.56 CSc1cc(ccc1F)C(=O)C 62a_200000210301_100000239719 [1,1,0,0,0,0|1,1,0]=4 3957 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_100011202321_200000210301 [1,1,0,0,0,0|1,1,0]=4 3958 B12R1.56 CSc1cc(ccc1F)C(=O)N 62a_200000210301_100011202321 [1,1,0,0,0,0|1,1,0]=4 3959 B12R1.56 CSc1cc(ccc1N)C(=O)C 62a_100012029215_200000210301 [1,1,0,0,0,0|1,1,0]=4 3960 B12R1.56 CSc1cc(ccc1O)C(=O)C 62a_100011772453_200000210301 [1,1,0,0,0,0|0,1,0]=3 3961 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 34a_100000188646_200025704644 [1,1,0,0,0,0|2,0,0]=4 3962 B12R1.56 Cc1ccc(cc1N[13CH3])C(=O)N 7a_100000188646_200025704644 [1,1,0,0,0,0|2,0,0]=4 3963 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 34a_100000740739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3964 B12R1.56 Cc1ccc(cc1O[13CH3])[N+](=O)[O-] 7a_100000740739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3965 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_100000186401_200025704644 [1,1,0,0,0,0|1,1,0]=4 3966 B12R1.56 Cc1ccc(cc1S[13CH3])C(=O)N 62a_200025704644_100000186401 [1,1,0,0,0,0|1,1,0]=4 3967 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)C#N)O 1458a_100009875055_200025704644 [1,1,0,0,0,0|1,0,1]=4 3968 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)Br 1458a_100010218026_200025704644 [1,1,0,0,0,0|2,0,0]=4 3969 B12R1.56 [13CH3]C(=O)c1ccc(c(c1)CO)F 1458a_100011803322_200025704644 [1,1,0,0,0,0|2,0,0]=4 3970 B12R1.56 [13CH3]Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_200025704644 [1,1,0,0,0,0|2,0,0]=4 3971 B12R1.56 [13CH3]Nc1cc(ccc1F)C(=O)N 34a_100000740466_200025704644 [1,1,0,0,0,0|2,0,0]=4 3972 B12R1.56 [13CH3]Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_200025704644 [1,1,0,0,0,0|2,0,0]=4 3973 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 34a_100012344895_200025704644 [1,1,0,0,0,0|1,0,0]=3 3974 B12R1.56 [13CH3]Oc1cc(ccc1Br)C(=O)N 7a_100012344895_200025704644 [1,1,0,0,0,0|1,0,0]=3 3975 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3976 B12R1.56 [13CH3]Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_200025704644 [1,1,0,0,0,0|2,0,0]=4 3977 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 3978 B12R1.56 [13CH3]Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_200025704644 [1,1,0,0,0,0|2,0,0]=4 3979 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 3980 B12R1.56 [13CH3]Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_200025704644 [1,1,0,0,0,0|2,0,0]=4 3981 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3982 B12R1.56 [13CH3]Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_200025704644 [1,1,0,0,0,0|2,0,0]=4 3983 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 34a_100011850428_200025704644 [1,1,0,0,0,0|1,0,0]=3 3984 B12R1.56 [13CH3]Oc1cc(ccc1N)C(=O)N 7a_100011850428_200025704644 [1,1,0,0,0,0|1,0,0]=3 3985 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 3986 B12R1.56 [13CH3]Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_200025704644 [1,1,0,0,0,0|2,0,0]=4 3987 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_100011202321_200025704644 [1,1,0,0,0,0|1,1,0]=4 3988 B12R1.56 [13CH3]Sc1cc(ccc1F)C(=O)N 62a_200025704644_100011202321 [1,1,0,0,0,0|1,1,0]=4 3989 B12R1.78 C=Cc1cc(c(cn1)CO)OC 271570a_100011290941_100010714672 [1,1,0,0,0,0|2,0,0]=4 3990 B12R1.78 C=Cc1cc(ccc1OC)C=O 271570a_100011290941_100000173361 [1,1,0,0,0,0|0,0,2]=4 3991 B12R1.78 C=Cc1ccc(c(c1)CC)C=O 271570a_100011290941_100010209654 [1,1,0,0,0,0|1,0,1]=4 3992 B12R1.78 C=Cc1ccc(c(c1)CC)NN 271570a_100011290941_100000700371 [1,1,0,0,0,0|2,0,0]=4 3993 B12R1.78 C=Cc1ccc(c(c1)CC)OC 271570a_100011290941_200010179862 [1,1,0,0,0,0|1,0,0]=3 3994 B12R1.78 C=Cc1ccc(c(c1)CN)OC 271570a_100011290941_100000690498 [1,1,0,0,0,0|2,0,0]=4 3995 B12R1.78 C=Cc1ccc(c(c1)CO)CO 271570a_100011290941_100000719600 [1,1,0,0,0,0|2,0,0]=4 3996 B12R1.78 C=Cc1ccc(c(c1)CO)OC 271570a_100011290941_100000204679 [1,1,0,0,0,0|2,0,0]=4 3997 B12R1.78 C=Cc1ccc(c(c1)OC)C#N 271570a_100011290941_100000694671 [1,1,0,0,0,0|2,0,0]=4 3998 B12R1.78 C=Cc1ccc(c(c1)OC)C=O 271570a_100011290941_100000697075 [1,1,0,0,0,0|1,0,1]=4 3999 B12R1.78 C=Cc1ccc(c(c1)OC)CC 271570a_100011290941_200010710398 [1,1,0,0,0,0|2,0,0]=4 4000 B12R1.78 C=Cc1ccc(c(c1)OC)CO 271570a_100011290941_100011277633 [1,1,0,0,0,0|1,0,0]=3 4001 B12R1.78 C=Cc1ccc(c(c1)OC)OC 271570a_100011290941_100000187503 [1,1,0,0,0,0|1,0,0]=3 4002 B12R1.78 C=Cc1ccc(c(c1)OC)OC 34a_100011217988_200000210301 [1,1,0,0,0,0|1,0,0]=3 4003 B12R1.78 C=Cc1ccc(c(c1)OC)O[13CH3] 34a_100011217988_200025704644 [1,1,0,0,0,0|1,0,0]=3 4004 B12R1.78 C=Cc1ccc(c(c1)OC)SC 271570a_100011290941_200011001119 [1,1,0,0,0,0|1,1,0]=4 4005 B12R1.78 C=Cc1ccc(c(c1)SC)OC 271570a_100011290941_200009892704 [1,1,0,0,0,0|1,1,0]=4 4006 B12R1.78 C=Cc1ccc(c(n1)OC)CO 271570a_100011290941_100010988397 [1,1,0,0,0,0|2,0,0]=4 4007 B12R1.78 C=Cc1ccc(c(n1)OC)OC 271570a_100011290941_100010214848 [1,1,0,0,0,0|2,0,0]=4 4008 B12R1.78 C=Cc1ccc(cc1CO)C=O 271570a_100011290941_100015639582 [1,1,0,0,0,0|2,0,0]=4 4009 B12R1.78 C=Cc1ccc(cc1OC)C=O 271570a_100011290941_100010244714 [1,1,0,0,0,0|1,0,0]=3 4010 B12R1.78 C=Cc1cnc(c(c1)OC)CO 271570a_100011290941_200010246159 [1,1,0,0,0,0|2,0,0]=4 4011 B12R1.78 C=Cc1cnc(c(c1)OC)OC 271570a_100011290941_100010234541 [1,1,0,0,0,0|2,0,0]=4 4012 B12R1.78 CCc1cc(ccc1OC)SC 62a_200000210301_200010179862 [1,1,0,0,0,0|2,0,0]=4 4013 B12R1.78 CCc1cc(ccc1OC)SC 62a_200010179862_200000210301 [1,1,0,0,0,0|2,0,0]=4 4014 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200010179862_200025704644 [1,1,0,0,0,0|2,0,0]=4 4015 B12R1.78 CCc1cc(ccc1OC)S[13CH3] 62a_200025704644_200010179862 [1,1,0,0,0,0|2,0,0]=4 4016 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100000186467_200000210301 [1,1,0,0,0,0|1,0,1]=4 4017 B12R1.78 CCc1ccc(c(c1)OC)OC 34a_100009844796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4018 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100000186467_200000210301 [1,1,0,0,0,0|1,0,1]=4 4019 B12R1.78 CCc1ccc(c(c1)OC)OC 7a_100009844796_200000210301 [1,1,0,0,0,0|1,0,1]=4 4020 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 34a_100000186467_200025704644 [1,1,0,0,0,0|1,0,1]=4 4021 B12R1.78 CCc1ccc(c(c1)OC)O[13CH3] 7a_100000186467_200025704644 [1,1,0,0,0,0|1,0,1]=4 4022 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 34a_100009844796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4023 B12R1.78 CCc1ccc(c(c1)O[13CH3])OC 7a_100009844796_200025704644 [1,1,0,0,0,0|1,0,1]=4 4024 B12R1.78 CNc1ccc(c(c1)OC)CO 34a_100012183141_200000210301 [1,1,0,0,0,0|2,0,0]=4 4025 B12R1.78 CNc1ccc(c(c1)OC)OC 34a_100000187404_200000210301 [1,1,0,0,0,0|2,0,0]=4 4026 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200000210301_200010290468 [1,1,0,0,0,0|1,1,0]=4 4027 B12R1.78 CNc1ccc(cc1SC)C=O 62a_200010290468_200000210301 [1,1,0,0,0,0|1,1,0]=4 4028 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200010290468_200025704644 [1,1,0,0,0,0|1,1,0]=4 4029 B12R1.78 CNc1ccc(cc1S[13CH3])C=O 62a_200025704644_200010290468 [1,1,0,0,0,0|1,1,0]=4 4030 B12R1.78 COc1cc(ccc1CO)CO 34a_200010669990_200000210301 [1,1,0,0,0,0|0,0,2]=4 4031 B12R1.78 COc1cc(ccc1CO)N[13CH3] 34a_100012183141_200025704644 [1,1,0,0,0,0|2,0,0]=4 4032 B12R1.78 COc1cc(ccc1CO)O[13CH3] 34a_200000116926_200025704644 [1,1,0,0,0,0|2,0,0]=4 4033 B12R1.78 COc1cc(ccc1CO)SC 62a_100011277633_200000210301 [1,1,0,0,0,0|2,0,0]=4 4034 B12R1.78 COc1cc(ccc1CO)SC 62a_200000210301_100011277633 [1,1,0,0,0,0|2,0,0]=4 4035 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_100011277633_200025704644 [1,1,0,0,0,0|2,0,0]=4 4036 B12R1.78 COc1cc(ccc1CO)S[13CH3] 62a_200025704644_100011277633 [1,1,0,0,0,0|2,0,0]=4 4037 B12R1.78 COc1cc(ccc1O[13CH3])C#N 34a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4038 B12R1.78 COc1cc(ccc1O[13CH3])C#N 7a_100000184589_200025704644 [1,1,0,0,0,0|1,0,1]=4 4039 B12R1.78 COc1cc(ccc1O[13CH3])CN 34a_100000185554_200025704644 [1,1,0,0,0,0|1,0,1]=4 4040 B12R1.78 COc1cc(ccc1SC)C=O 62a_100010244714_200000210301 [1,1,0,0,0,0|0,1,0]=3 4041 B12R1.78 COc1cc(ccc1SC)C=O 62a_200000210301_100010244714 [1,1,0,0,0,0|0,1,0]=3 4042 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_100010244714_200025704644 [1,1,0,0,0,0|0,1,0]=3 4043 B12R1.78 COc1cc(ccc1S[13CH3])C=O 62a_200025704644_100010244714 [1,1,0,0,0,0|0,1,0]=3 4044 B12R1.78 COc1ccc(c(c1)OC)CO 34a_200000116926_200000210301 [1,1,0,0,0,0|2,0,0]=4 4045 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000039706_200000210301 [1,1,0,0,0,0|2,0,0]=4 4046 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100000074795_200000210301 [1,1,0,0,0,0|2,0,0]=4 4047 B12R1.78 COc1ccc(c(c1)OC)OC 34a_100009840267_200000210301 [1,1,0,0,0,0|2,0,0]=4 4048 B12R1.78 COc1ccc(c(c1)OC)O[13CH3] 34a_100009840267_200025704644 [1,1,0,0,0,0|2,0,0]=4 4049 B12R1.78 COc1ccc(c(c1)O[13CH3])OC 34a_100000074795_200025704644 [1,1,0,0,0,0|2,0,0]=4 4050 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4051 B12R1.78 COc1ccc(cc1OC)C#N 34a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 4052 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000184589_200000210301 [1,1,0,0,0,0|1,0,1]=4 4053 B12R1.78 COc1ccc(cc1OC)C#N 7a_100000188611_200000210301 [1,1,0,0,0,0|1,0,1]=4 4054 B12R1.78 COc1ccc(cc1OC)CN 34a_100000185554_200000210301 [1,1,0,0,0,0|1,0,1]=4 4055 B12R1.78 COc1ccc(cc1OC)CN 34a_100000740000_200000210301 [1,1,0,0,0,0|1,0,1]=4 4056 B12R1.78 COc1ccc(cc1OC)CO 34a_100011215239_200000210301 [1,1,0,0,0,0|0,0,2]=4 4057 B12R1.78 COc1ccc(cc1OC)N[13CH3] 34a_100000187404_200025704644 [1,1,0,0,0,0|2,0,0]=4 4058 B12R1.78 COc1ccc(cc1OC)O[13CH3] 34a_100000039706_200025704644 [1,1,0,0,0,0|2,0,0]=4 4059 B12R1.78 COc1ccc(cc1OC)SC 62a_200000210301_100011356967 [1,1,0,0,0,0|2,0,0]=4 4060 B12R1.78 COc1ccc(cc1OC)S[13CH3] 62a_200025704644_100011356967 [1,1,0,0,0,0|2,0,0]=4 4061 B12R1.78 COc1ccc(cc1O[13CH3])C#N 34a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 4062 B12R1.78 COc1ccc(cc1O[13CH3])C#N 7a_100000188611_200025704644 [1,1,0,0,0,0|1,0,1]=4 4063 B12R1.78 COc1ccc(cc1O[13CH3])CN 34a_100000740000_200025704644 [1,1,0,0,0,0|1,0,1]=4 4064 B12R1.78 COc1ccc(cc1O[13CH3])CO 34a_100011215239_200025704644 [1,1,0,0,0,0|0,0,2]=4 4065 B12R1.78 COc1ccc(cc1SC)C=O 62a_100000173361_200000210301 [1,1,0,0,0,0|0,1,0]=3 4066 B12R1.78 COc1ccc(cc1SC)C=O 62a_200000210301_100000173361 [1,1,0,0,0,0|0,1,0]=3 4067 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_100000173361_200025704644 [1,1,0,0,0,0|0,1,0]=3 4068 B12R1.78 COc1ccc(cc1S[13CH3])C=O 62a_200025704644_100000173361 [1,1,0,0,0,0|0,1,0]=3 4069 B12R1.78 COc1ccc(nc1SC)C=O 62a_100010174741_200000210301 [1,1,0,0,0,0|1,1,0]=4 4070 B12R1.78 COc1ccc(nc1SC)C=O 62a_200000210301_100010174741 [1,1,0,0,0,0|1,1,0]=4 4071 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_100010174741_200025704644 [1,1,0,0,0,0|1,1,0]=4 4072 B12R1.78 COc1ccc(nc1S[13CH3])C=O 62a_200025704644_100010174741 [1,1,0,0,0,0|1,1,0]=4 4073 B12R1.78 COc1cnc(cc1SC)C=O 62a_100010893078_200000210301 [1,1,0,0,0,0|1,1,0]=4 4074 B12R1.78 COc1cnc(cc1SC)C=O 62a_200000210301_100010893078 [1,1,0,0,0,0|1,1,0]=4 4075 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_100010893078_200025704644 [1,1,0,0,0,0|1,1,0]=4 4076 B12R1.78 COc1cnc(cc1S[13CH3])C=O 62a_200025704644_100010893078 [1,1,0,0,0,0|1,1,0]=4 4077 B12R1.78 COc1ncc(cc1SC)C=O 62a_200000210301_200010064893 [1,1,0,0,0,0|1,1,0]=4 4078 B12R1.78 COc1ncc(cc1SC)C=O 62a_200010064893_200000210301 [1,1,0,0,0,0|1,1,0]=4 4079 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200010064893_200025704644 [1,1,0,0,0,0|1,1,0]=4 4080 B12R1.78 COc1ncc(cc1S[13CH3])C=O 62a_200025704644_200010064893 [1,1,0,0,0,0|1,1,0]=4 4081 B12R1.78 CSc1cc(ccc1C#N)C=O 62a_200000210301_100012355660 [1,1,0,0,0,0|1,1,0]=4 4082 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_100015597013_200000210301 [1,1,0,0,0,0|0,1,1]=4 4083 B12R1.78 CSc1cc(ccc1C=O)C=O 62a_200000210301_100015597013 [1,1,0,0,0,0|0,1,1]=4 4084 B12R1.78 CSc1ccc(cc1CO)C=O 62a_100015639582_200000210301 [1,1,0,0,0,0|1,1,0]=4 4085 B12R1.78 CSc1ccc(cc1CO)C=O 62a_200000210301_100015639582 [1,1,0,0,0,0|1,1,0]=4 4086 B12R1.78 [13CH3]Oc1cc(ccc1CO)CO 34a_200010669990_200025704644 [1,1,0,0,0,0|0,0,2]=4 4087 B12R1.78 [13CH3]Sc1cc(ccc1C#N)C=O 62a_200025704644_100012355660 [1,1,0,0,0,0|1,1,0]=4 4088 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_100015597013_200025704644 [1,1,0,0,0,0|0,1,1]=4 4089 B12R1.78 [13CH3]Sc1cc(ccc1C=O)C=O 62a_200025704644_100015597013 [1,1,0,0,0,0|0,1,1]=4 4090 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_100015639582_200025704644 [1,1,0,0,0,0|1,1,0]=4 4091 B12R1.78 [13CH3]Sc1ccc(cc1CO)C=O 62a_200025704644_100015639582 [1,1,0,0,0,0|1,1,0]=4 4092 B12R1.300 C=Cc1cc(c(c(c1)CC)N)C 271570a_100011290941_200000186424 [1,1,0,0,0,0|2,0,0]=4 4093 B12R1.300 C=Cc1cc(c(c(c1)CC)O)C 271570a_100011290941_100010659108 [1,1,0,0,0,0|1,0,0]=3 4094 B12R1.300 C=Cc1cc(c(c(c1)OC)F)C 271570a_100011290941_100010271686 [1,1,0,0,0,0|2,0,0]=4 4095 B12R1.300 C=Cc1cc(c(c(c1)OC)F)F 271570a_100011290941_100011218012 [1,1,0,0,0,0|2,0,0]=4 4096 B12R1.300 C=Cc1cc(c(c(c1)OC)F)O 271570a_100011290941_200015524394 [1,1,0,0,0,0|2,0,0]=4 4097 B12R1.300 C=Cc1cc(c(c(c1)OC)N)C 271570a_100011290941_100000741850 [1,1,0,0,0,0|2,0,0]=4 4098 B12R1.300 C=Cc1cc(cc(c1O)F)C=O 271570a_100011290941_100010295671 [1,1,0,0,0,0|0,0,2]=4 4099 B12R1.300 CCc1cc(cc(c1O)C)SC 62a_200000210301_100010659108 [1,1,0,0,0,0|2,0,0]=4 4100 B12R1.300 CCc1cc(cc(c1O)C)S[13CH3] 62a_200025704644_100010659108 [1,1,0,0,0,0|2,0,0]=4 4101 B12R1.300 COc1cc(c(c(c1)OC)O)F 271570a_203496583355_200009812871 [1,1,0,0,0,0|2,0,0]=4 4102 B12R1.300 COc1cc(cc(c1O)O)C#N 271570a_203496583355_100000188612 [1,1,0,0,0,0|1,0,1]=4 4103 B12R1.300 COc1cc(cc(c1O)O)C=O 271570a_203496583355_100000184534 [1,1,0,0,0,0|0,0,0]=2 4104 B12R1.300 COc1cc(cc(c1O)O)CO 271570a_203496583355_200000022573 [1,1,0,0,0,0|0,0,2]=4 4105 B12R1.300 COc1cc(cc(c1O)O)SC 62a_200000210301_200159242197 [1,1,0,0,0,0|2,0,0]=4 4106 B12R1.300 COc1cc(cc(c1O)O)S[13CH3] 62a_200025704644_200159242197 [1,1,0,0,0,0|2,0,0]=4 4107 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_100010132949_200000210301 [1,1,0,0,0,0|1,1,0]=4 4108 B12R1.300 CSc1cc(cc(c1C)F)C=O 62a_200000210301_100010132949 [1,1,0,0,0,0|1,1,0]=4 4109 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_100010270029_200000210301 [1,1,0,0,0,0|1,1,0]=4 4110 B12R1.300 CSc1cc(cc(c1F)Br)C=O 62a_200000210301_100010270029 [1,1,0,0,0,0|1,1,0]=4 4111 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200000210301_200010341283 [1,1,0,0,0,0|1,1,0]=4 4112 B12R1.300 CSc1cc(cc(c1F)F)C=O 62a_200010341283_200000210301 [1,1,0,0,0,0|1,1,0]=4 4113 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_100010295671_200000210301 [1,1,0,0,0,0|0,1,0]=3 4114 B12R1.300 CSc1cc(cc(c1O)F)C=O 62a_200000210301_100010295671 [1,1,0,0,0,0|0,1,0]=3 4115 B12R1.300 CSc1cc(cc(c1O)O)C=O 62a_200000210301_100000687232 [1,1,0,0,0,0|0,1,0]=3 4116 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_100010132949_200025704644 [1,1,0,0,0,0|1,1,0]=4 4117 B12R1.300 Cc1c(cc(cc1S[13CH3])C=O)F 62a_200025704644_100010132949 [1,1,0,0,0,0|1,1,0]=4 4118 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_100010270029_200025704644 [1,1,0,0,0,0|1,1,0]=4 4119 B12R1.300 [13CH3]Sc1cc(cc(c1F)Br)C=O 62a_200025704644_100010270029 [1,1,0,0,0,0|1,1,0]=4 4120 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200010341283_200025704644 [1,1,0,0,0,0|1,1,0]=4 4121 B12R1.300 [13CH3]Sc1cc(cc(c1F)F)C=O 62a_200025704644_200010341283 [1,1,0,0,0,0|1,1,0]=4 4122 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_100010295671_200025704644 [1,1,0,0,0,0|0,1,0]=3 4123 B12R1.300 [13CH3]Sc1cc(cc(c1O)F)C=O 62a_200025704644_100010295671 [1,1,0,0,0,0|0,1,0]=3 4124 B12R1.300 [13CH3]Sc1cc(cc(c1O)O)C=O 62a_200025704644_100000687232 [1,1,0,0,0,0|0,1,0]=3 4125 B12R1.449 C=Cc1cc(c(cc1Br)Br)OC 271570a_100011290941_200014006352 [1,1,0,0,0,0|2,0,0]=4 4126 B12R1.449 C=Cc1cc(c(cc1C)F)OC 271570a_100011290941_100011009880 [1,1,0,0,0,0|2,0,0]=4 4127 B12R1.449 C=Cc1cc(c(cc1C)N)OC 271570a_100011290941_100010141321 [1,1,0,0,0,0|2,0,0]=4 4128 B12R1.449 C=Cc1cc(c(cc1F)Cl)OC 271570a_100011290941_100010739614 [1,1,0,0,0,0|2,0,0]=4 4129 B12R1.449 C=Cc1cc(c(cc1F)F)OC 271570a_100011290941_200015541288 [1,1,0,0,0,0|2,0,0]=4 4130 B12R1.449 C=Cc1cc(c(cc1F)N)OC 271570a_100011290941_100012766639 [1,1,0,0,0,0|2,0,0]=4 4131 B12R1.449 C=Cc1cc(c(cc1F)O)OC 271570a_100011290941_100010189133 [1,1,0,0,0,0|1,0,0]=3 4132 B12R1.449 C=Cc1cc(c(cc1N)C)OC 271570a_100011290941_200010584344 [1,1,0,0,0,0|2,0,0]=4 4133 B12R1.449 C=Cc1cc(c(cc1N)F)OC 271570a_100011290941_100010365326 [1,1,0,0,0,0|2,0,0]=4 4134 B12R1.449 C=Cc1cc(c(cc1O)O)C=O 271570a_100011290941_200010132312 [1,1,0,0,0,0|0,0,2]=4 4135 B12R1.449 COc1cc(c(cc1F)O)C=O 271570a_203496583355_100010366953 [1,1,0,0,0,0|1,0,0]=3 4136 B12R1.449 COc1cc(c(cc1O)F)C=O 271570a_203496583355_100000695681 [1,1,0,0,0,0|0,0,0]=2 4137 B12R1.449 COc1cc(c(cc1O)F)OC 271570a_203496583355_100010141368 [1,1,0,0,0,0|2,0,0]=4 4138 B12R1.449 COc1cc(c(cc1O)F)SC 62a_200000210301_100010189133 [1,1,0,0,0,0|2,0,0]=4 4139 B12R1.449 COc1cc(c(cc1O)F)S[13CH3] 62a_200025704644_100010189133 [1,1,0,0,0,0|2,0,0]=4 4140 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100000741691 [1,1,0,0,0,0|0,0,0]=2 4141 B12R1.449 COc1cc(c(cc1O)O)C=O 271570a_203496583355_100010762608 [1,1,0,0,0,0|0,0,0]=2 4142 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_100010138641_200000210301 [1,1,0,0,0,0|1,1,0]=4 4143 B12R1.449 CSc1cc(c(cc1C)F)C=O 62a_200000210301_100010138641 [1,1,0,0,0,0|1,1,0]=4 4144 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_100009814802_200000210301 [1,1,0,0,0,0|1,1,0]=4 4145 B12R1.449 CSc1cc(c(cc1F)F)C=O 62a_200000210301_100009814802 [1,1,0,0,0,0|1,1,0]=4 4146 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200000210301_200010571964 [1,1,0,0,0,0|1,1,0]=4 4147 B12R1.449 CSc1cc(c(cc1F)N)C=O 62a_200010571964_200000210301 [1,1,0,0,0,0|1,1,0]=4 4148 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_100010175118_200000210301 [1,1,0,0,0,0|1,1,0]=4 4149 B12R1.449 CSc1cc(c(cc1F)O)C=O 62a_200000210301_100010175118 [1,1,0,0,0,0|1,1,0]=4 4150 B12R1.449 CSc1cc(c(cc1O)O)C=O 62a_200000210301_200010132312 [1,1,0,0,0,0|0,1,0]=3 4151 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_100010138641_200025704644 [1,1,0,0,0,0|1,1,0]=4 4152 B12R1.449 Cc1cc(c(cc1S[13CH3])C=O)F 62a_200025704644_100010138641 [1,1,0,0,0,0|1,1,0]=4 4153 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_100009814802_200025704644 [1,1,0,0,0,0|1,1,0]=4 4154 B12R1.449 [13CH3]Sc1cc(c(cc1F)F)C=O 62a_200025704644_100009814802 [1,1,0,0,0,0|1,1,0]=4 4155 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200010571964_200025704644 [1,1,0,0,0,0|1,1,0]=4 4156 B12R1.449 [13CH3]Sc1cc(c(cc1F)N)C=O 62a_200025704644_200010571964 [1,1,0,0,0,0|1,1,0]=4 4157 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_100010175118_200025704644 [1,1,0,0,0,0|1,1,0]=4 4158 B12R1.449 [13CH3]Sc1cc(c(cc1F)O)C=O 62a_200025704644_100010175118 [1,1,0,0,0,0|1,1,0]=4 4159 B12R1.449 [13CH3]Sc1cc(c(cc1O)O)C=O 62a_200025704644_200010132312 [1,1,0,0,0,0|0,1,0]=3 4160 B12R1.453 C=C(C)c1cc(ccc1Br)C=O 271570a_100000694244_100010146563 [1,1,0,0,0,0|1,0,1]=4 4161 B12R1.453 C=C(C)c1cc(ccc1C)C=O 271570a_100000694244_100000695567 [1,1,0,0,0,0|1,0,1]=4 4162 B12R1.453 C=C(C)c1cc(ccc1Cl)C=O 271570a_100000694244_100010209939 [1,1,0,0,0,0|1,0,1]=4 4163 B12R1.453 C=C(C)c1cc(ccc1F)C=O 271570a_100000694244_100000211747 [1,1,0,0,0,0|1,0,1]=4 4164 B12R1.453 C=C(C)c1cc(ccc1O)C=O 271570a_100000694244_100000184552 [1,1,0,0,0,0|0,0,1]=3 4165 B12R1.453 C=C(C)c1cc(cnc1O)C=O 271570a_100000694244_100010064886 [1,1,0,0,0,0|1,0,1]=4 4166 B12R1.453 C=Cc1ccc(c(c1)C(=O)C)O 271570a_100011290941_100000212127 [1,1,0,0,0,0|1,0,1]=4 4167 B12R1.453 C=Cc1ccc(c(c1)C(C)C)F 271570a_100011290941_200053017515 [1,1,0,0,0,0|2,0,0]=4 4168 B12R1.453 C=Cc1ccc(c(c1)C(C)C)N 271570a_100011290941_100000694223 [1,1,0,0,0,0|2,0,0]=4 4169 B12R1.453 C=Cc1ccc(c(c1)C(C)C)O 271570a_100011290941_100000691460 [1,1,0,0,0,0|1,0,0]=3 4170 B12R1.453 C=Cc1ccc(c(c1)C(C)O)F 271570a_100011290941_100011943926 [1,1,0,0,0,0|2,0,0]=4 4171 B12R1.453 CC(C)c1cc(ccc1O)C#N 271570a_203496583355_100021510006 [1,1,0,0,0,0|1,0,1]=4 4172 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_100000691460_200025704644 [1,1,0,0,0,0|2,0,0]=4 4173 B12R1.453 CC(C)c1cc(ccc1O)S[13CH3] 62a_200025704644_100000691460 [1,1,0,0,0,0|2,0,0]=4 4174 B12R1.453 COc1ccc(c(c1)[C@H](C)N)O 271570a_203496583355_200015425320 [1,1,0,0,0,0|2,0,0]=4 4175 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_100000691460_200000210301 [1,1,0,0,0,0|2,0,0]=4 4176 B12R1.453 CSc1ccc(c(c1)C(C)C)O 62a_200000210301_100000691460 [1,1,0,0,0,0|2,0,0]=4 4177 B12R1.453 O=Cc1ccc(c(c1)B(O)O)O 271570a_203496583355_100000068294 [1,1,0,0,0,0|2,0,0]=4 4178 B12R1.654 C=Cc1ccc(c(c1F)OC)Cl 271570a_100011290941_200135222481 [1,1,0,0,0,0|2,0,0]=4 4179 B12R1.654 C=Cc1ccc(c(c1F)OC)N 271570a_100011290941_100010734149 [1,1,0,0,0,0|2,0,0]=4 4180 B12R1.654 COc1c(ccc(c1F)C#N)O 271570a_203496583355_200010764284 [1,1,0,0,0,0|1,0,1]=4 4181 B12R1.654 COc1c(ccc(c1F)C=O)O 271570a_203496583355_200010981996 [1,1,0,0,0,0|0,0,0]=2 4182 B12R1.654 COc1ccc(c(c1C)OC)O 271570a_203496583355_100010234078 [1,1,0,0,0,0|2,0,0]=4 4183 B12R1.654 COc1ccc(c(c1F)OC)O 271570a_203496583355_200010341284 [1,1,0,0,0,0|2,0,0]=4 4184 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_100010381662_200000210301 [1,1,0,0,0,0|1,1,0]=4 4185 B12R1.654 CSc1c(ccc(c1F)C=O)C 62a_200000210301_100010381662 [1,1,0,0,0,0|1,1,0]=4 4186 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_100000050342_200000210301 [1,1,0,0,0,0|1,1,0]=4 4187 B12R1.654 CSc1c(ccc(c1F)C=O)F 62a_200000210301_100000050342 [1,1,0,0,0,0|1,1,0]=4 4188 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_100010381662_200025704644 [1,1,0,0,0,0|1,1,0]=4 4189 B12R1.654 Cc1ccc(c(c1S[13CH3])F)C=O 62a_200025704644_100010381662 [1,1,0,0,0,0|1,1,0]=4 4190 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_100000050342_200025704644 [1,1,0,0,0,0|1,1,0]=4 4191 B12R1.654 [13CH3]Sc1c(ccc(c1F)C=O)F 62a_200025704644_100000050342 [1,1,0,0,0,0|1,1,0]=4 4192 B14R1.489 C=C=Cc1ccc(c(c1)OC(C)C)C 271570a_100015277604_200012359587 [0,2,0,0,0,0|2,0,0]=4 4193 B14R1.489 C=C=Cc1ccc(c(c1)OC(C)C)F 271570a_100015277604_200012350295 [0,2,0,0,0,0|2,0,0]=4 4194 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)C 271570a_100016259895_200012359587 [0,2,0,0,0,0|2,0,0]=4 4195 B14R1.489 CC=Cc1ccc(c(c1)OC(C)C)F 271570a_100016259895_200012350295 [0,2,0,0,0,0|2,0,0]=4 4196 B14R1.578 CC(=Cc1cc(cc(c1O)F)C=O)C 271570a_100102525489_100010295671 [0,2,0,0,0,0|1,0,1]=4 4197 B14R1.578 CC(C)Sc1cc(cc(c1F)Br)C=O 62a_100000210206_100010270029 [0,2,0,0,0,0|1,1,0]=4 4198 B14R1.578 CC(C)Sc1cc(cc(c1F)Br)C=O 62a_100010270029_100000210206 [0,2,0,0,0,0|1,1,0]=4 4199 B14R1.578 CC(C)Sc1cc(cc(c1F)F)C=O 62a_100000210206_200010341283 [0,2,0,0,0,0|1,1,0]=4 4200 B14R1.578 CC(C)Sc1cc(cc(c1F)F)C=O 62a_200010341283_100000210206 [0,2,0,0,0,0|1,1,0]=4 4201 B14R1.578 CC(C)Sc1cc(cc(c1O)F)C=O 62a_100000210206_100010295671 [0,2,0,0,0,0|0,1,0]=3 4202 B14R1.578 CC(C)Sc1cc(cc(c1O)F)C=O 62a_100010295671_100000210206 [0,2,0,0,0,0|0,1,0]=3 4203 B14R1.578 CC(C)Sc1cc(cc(c1O)O)C=O 62a_100000210206_100000687232 [0,2,0,0,0,0|0,1,0]=3 4204 B14R1.578 Cc1c(cc(cc1SC(C)C)C=O)F 62a_100000210206_100010132949 [0,2,0,0,0,0|1,1,0]=4 4205 B14R1.578 Cc1c(cc(cc1SC(C)C)C=O)F 62a_100010132949_100000210206 [0,2,0,0,0,0|1,1,0]=4 4206 B14R1.676 C=C(C)c1ccc(c(c1)OC(C)C)C 271570a_100000694244_200012359587 [0,2,0,0,0,0|2,0,0]=4 4207 B14R1.676 C=C(C)c1ccc(c(c1)OC(C)C)F 271570a_100000694244_200012350295 [0,2,0,0,0,0|2,0,0]=4 4208 B14R1.676 CC(=O)c1ccc(c(c1)C=C(C)C)O 271570a_100102525489_100011772453 [0,2,0,0,0,0|1,0,1]=4 4209 B14R1.676 CC(=O)c1ccc(c(c1)CN(C)C)O 269982a_100102631434_100000010293 [0,2,0,0,0,0|2,0,0]=4 4210 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 1458a_200011466257_200000210301 [0,2,0,0,0,0|1,0,0]=3 4211 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 34a_100000084092_100000210206 [0,2,0,0,0,0|1,0,0]=3 4212 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)C 7a_100000084092_100000210206 [0,2,0,0,0,0|1,0,0]=3 4213 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)Cl 1458a_100010138842_200000210301 [0,2,0,0,0,0|1,0,0]=3 4214 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 1458a_200015858872_200000210301 [0,2,0,0,0,0|1,0,0]=3 4215 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 34a_100000117923_100000210206 [0,2,0,0,0,0|1,0,0]=3 4216 B14R1.676 CC(=O)c1ccc(c(c1)OC(C)C)F 7a_100000117923_100000210206 [0,2,0,0,0,0|1,0,0]=3 4217 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)Br 62a_100000210206_100010146556 [0,2,0,0,0,0|1,1,0]=4 4218 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)Br 62a_100010146556_100000210206 [0,2,0,0,0,0|1,1,0]=4 4219 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)C 62a_100000210206_100011934287 [0,2,0,0,0,0|1,1,0]=4 4220 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)C 62a_100011934287_100000210206 [0,2,0,0,0,0|1,1,0]=4 4221 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)F 62a_100000210206_100000239719 [0,2,0,0,0,0|1,1,0]=4 4222 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)F 62a_100000239719_100000210206 [0,2,0,0,0,0|1,1,0]=4 4223 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)N 62a_100012029215_100000210206 [0,2,0,0,0,0|1,1,0]=4 4224 B14R1.676 CC(=O)c1ccc(c(c1)SC(C)C)O 62a_100011772453_100000210206 [0,2,0,0,0,0|0,1,0]=3 4225 B14R1.676 CC(C)Nc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210206 [0,2,0,0,0,0|2,0,0]=4 4226 B14R1.676 CC(C)Nc1cc(ccc1F)C(=O)N 34a_100000740466_100000210206 [0,2,0,0,0,0|2,0,0]=4 4227 B14R1.676 CC(C)Nc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210206 [0,2,0,0,0,0|2,0,0]=4 4228 B14R1.676 CC(C)Oc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210206 [0,2,0,0,0,0|1,0,0]=3 4229 B14R1.676 CC(C)Oc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210206 [0,2,0,0,0,0|1,0,0]=3 4230 B14R1.676 CC(C)Oc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210206 [0,2,0,0,0,0|2,0,0]=4 4231 B14R1.676 CC(C)Oc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210206 [0,2,0,0,0,0|2,0,0]=4 4232 B14R1.676 CC(C)Oc1cc(ccc1Cl)C(=O)[13CH3] 1458a_100010138842_200025704644 [0,2,0,0,0,0|1,0,0]=3 4233 B14R1.676 CC(C)Oc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210206 [0,2,0,0,0,0|2,0,0]=4 4234 B14R1.676 CC(C)Oc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210206 [0,2,0,0,0,0|2,0,0]=4 4235 B14R1.676 CC(C)Oc1cc(ccc1F)C(=O)[13CH3] 1458a_200015858872_200025704644 [0,2,0,0,0,0|1,0,0]=3 4236 B14R1.676 CC(C)Oc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210206 [0,2,0,0,0,0|2,0,0]=4 4237 B14R1.676 CC(C)Oc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210206 [0,2,0,0,0,0|2,0,0]=4 4238 B14R1.676 CC(C)Oc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4239 B14R1.676 CC(C)Oc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4240 B14R1.676 CC(C)Oc1cc(ccc1N)C(=O)N 34a_100011850428_100000210206 [0,2,0,0,0,0|1,0,0]=3 4241 B14R1.676 CC(C)Oc1cc(ccc1N)C(=O)N 7a_100011850428_100000210206 [0,2,0,0,0,0|1,0,0]=3 4242 B14R1.676 CC(C)Oc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210206 [0,2,0,0,0,0|2,0,0]=4 4243 B14R1.676 CC(C)Oc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210206 [0,2,0,0,0,0|2,0,0]=4 4244 B14R1.676 CC(C)Sc1cc(ccc1F)C(=O)N 62a_100000210206_100011202321 [0,2,0,0,0,0|1,1,0]=4 4245 B14R1.676 CC(C)Sc1cc(ccc1F)C(=O)N 62a_100011202321_100000210206 [0,2,0,0,0,0|1,1,0]=4 4246 B14R1.676 Cc1ccc(cc1NC(C)C)C(=O)N 34a_100000188646_100000210206 [0,2,0,0,0,0|2,0,0]=4 4247 B14R1.676 Cc1ccc(cc1NC(C)C)C(=O)N 7a_100000188646_100000210206 [0,2,0,0,0,0|2,0,0]=4 4248 B14R1.676 Cc1ccc(cc1OC(C)C)C(=O)[13CH3] 1458a_200011466257_200025704644 [0,2,0,0,0,0|1,0,0]=3 4249 B14R1.676 Cc1ccc(cc1OC(C)C)[N+](=O)[O-] 34a_100000740739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4250 B14R1.676 Cc1ccc(cc1OC(C)C)[N+](=O)[O-] 7a_100000740739_100000210206 [0,2,0,0,0,0|2,0,0]=4 4251 B14R1.676 Cc1ccc(cc1SC(C)C)C(=O)N 62a_100000186401_100000210206 [0,2,0,0,0,0|1,1,0]=4 4252 B14R1.676 Cc1ccc(cc1SC(C)C)C(=O)N 62a_100000210206_100000186401 [0,2,0,0,0,0|1,1,0]=4 4253 B14R1.881 CC(=Cc1cc(c(cc1O)O)C=O)C 271570a_100102525489_200010132312 [0,2,0,0,0,0|1,0,1]=4 4254 B14R1.881 CC(C)Sc1cc(c(cc1F)F)C=O 62a_100000210206_100009814802 [0,2,0,0,0,0|1,1,0]=4 4255 B14R1.881 CC(C)Sc1cc(c(cc1F)F)C=O 62a_100009814802_100000210206 [0,2,0,0,0,0|1,1,0]=4 4256 B14R1.881 CC(C)Sc1cc(c(cc1F)N)C=O 62a_100000210206_200010571964 [0,2,0,0,0,0|1,1,0]=4 4257 B14R1.881 CC(C)Sc1cc(c(cc1F)N)C=O 62a_200010571964_100000210206 [0,2,0,0,0,0|1,1,0]=4 4258 B14R1.881 CC(C)Sc1cc(c(cc1F)O)C=O 62a_100000210206_100010175118 [0,2,0,0,0,0|1,1,0]=4 4259 B14R1.881 CC(C)Sc1cc(c(cc1F)O)C=O 62a_100010175118_100000210206 [0,2,0,0,0,0|1,1,0]=4 4260 B14R1.881 CC(C)Sc1cc(c(cc1O)O)C=O 62a_100000210206_200010132312 [0,2,0,0,0,0|0,1,0]=3 4261 B14R1.881 Cc1cc(c(cc1SC(C)C)C=O)F 62a_100000210206_100010138641 [0,2,0,0,0,0|1,1,0]=4 4262 B14R1.881 Cc1cc(c(cc1SC(C)C)C=O)F 62a_100010138641_100000210206 [0,2,0,0,0,0|1,1,0]=4 4263 B14R1.2318 CC(C)Sc1c(ccc(c1F)C=O)F 62a_100000050342_100000210206 [0,2,0,0,0,0|1,1,0]=4 4264 B14R1.2318 CC(C)Sc1c(ccc(c1F)C=O)F 62a_100000210206_100000050342 [0,2,0,0,0,0|1,1,0]=4 4265 B14R1.2318 Cc1ccc(c(c1SC(C)C)F)C=O 62a_100000210206_100010381662 [0,2,0,0,0,0|1,1,0]=4 4266 B14R1.2318 Cc1ccc(c(c1SC(C)C)F)C=O 62a_100010381662_100000210206 [0,2,0,0,0,0|1,1,0]=4 4267 B14R1.2336 C=Cc1ccc(c(c1)OC(F)(F)F)O 271570a_100011290941_100009815870 [0,2,0,0,0,0|2,0,0]=4 4268 B14R1.2336 CC(C)(C)Sc1cc(ccc1Br)C=O 62a_100000211941_100010146563 [0,2,0,0,0,0|1,1,0]=4 4269 B14R1.2336 CC(C)(C)Sc1cc(ccc1Br)C=O 62a_100010146563_100000211941 [0,2,0,0,0,0|1,1,0]=4 4270 B14R1.2336 CC(C)(C)Sc1cc(ccc1Cl)C=O 62a_100000211941_100010209939 [0,2,0,0,0,0|1,1,0]=4 4271 B14R1.2336 CC(C)(C)Sc1cc(ccc1Cl)C=O 62a_100010209939_100000211941 [0,2,0,0,0,0|1,1,0]=4 4272 B14R1.2336 CC(C)(C)Sc1cc(ccc1F)C=O 62a_100000211747_100000211941 [0,2,0,0,0,0|1,1,0]=4 4273 B14R1.2336 CC(C)(C)Sc1cc(ccc1F)C=O 62a_100000211941_100000211747 [0,2,0,0,0,0|1,1,0]=4 4274 B14R1.2336 CC(C)(C)Sc1cc(ccc1O)C=O 62a_100000184552_100000211941 [0,2,0,0,0,0|0,1,0]=3 4275 B14R1.2336 CC(C)(C)Sc1cc(ccc1O)C=O 62a_100000211941_100000184552 [0,2,0,0,0,0|0,1,0]=3 4276 B14R1.2336 CC(C)(C)Sc1cc(cnc1O)C=O 62a_100000211941_100010064886 [0,2,0,0,0,0|1,1,0]=4 4277 B14R1.2336 CC(C)(C)Sc1cc(cnc1O)C=O 62a_100010064886_100000211941 [0,2,0,0,0,0|1,1,0]=4 4278 B14R1.2336 Cc1ccc(cc1SC(C)(C)C)C=O 62a_100000211941_100000695567 [0,2,0,0,0,0|1,1,0]=4 4279 B14R1.2336 Cc1ccc(cc1SC(C)(C)C)C=O 62a_100000695567_100000211941 [0,2,0,0,0,0|1,1,0]=4 4280 B14R1.2336 O=Cc1ccc(c(c1)OC(F)(F)F)O 271570a_203496583355_100010168247 [0,2,0,0,0,0|1,0,0]=3 4281 B14R1.2336 O=Cc1ccc(c(c1)SC(F)(F)F)O 62a_100000184552_200103152311 [0,2,0,0,0,0|1,1,0]=4 4282 B14R1.2336 O=Cc1ccc(c(c1)SC(F)(F)F)O 62a_200000243211_100000184552 [0,2,0,0,0,0|1,1,0]=4 4283 B14R1.2340 CC(=C(C)c1cc(ccc1O)C=O)C 271570a_200000049429_100000184552 [0,2,0,0,0,0|1,0,1]=4 4284 B14R1.3723 C=Cc1ccc(c(c1)OC(=O)C)OC 271570a_100011290941_200011016479 [0,2,0,0,0,0|1,0,1]=4 4285 B14R1.3723 C=Cc1ccc(c(c1)OC(C)C)OC 271570a_100011290941_200010232110 [0,2,0,0,0,0|1,0,0]=3 4286 B14R1.3723 CC(C)Oc1cc(ccc1CO)CO 34a_200010669990_100000210206 [0,2,0,0,0,0|0,0,2]=4 4287 B14R1.3723 CC(C)Sc1cc(ccc1C#N)C=O 62a_100000210206_100012355660 [0,2,0,0,0,0|1,1,0]=4 4288 B14R1.3723 CC(C)Sc1cc(ccc1C=O)C=O 62a_100000210206_100015597013 [0,2,0,0,0,0|0,1,1]=4 4289 B14R1.3723 CC(C)Sc1cc(ccc1C=O)C=O 62a_100015597013_100000210206 [0,2,0,0,0,0|0,1,1]=4 4290 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 34a_100009844796_100000210206 [0,2,0,0,0,0|1,0,1]=4 4291 B14R1.3723 CCc1ccc(c(c1)OC(C)C)OC 7a_100009844796_100000210206 [0,2,0,0,0,0|1,0,1]=4 4292 B14R1.3723 CNc1ccc(cc1SC(C)C)C=O 62a_100000210206_200010290468 [0,2,0,0,0,0|1,1,0]=4 4293 B14R1.3723 CNc1ccc(cc1SC(C)C)C=O 62a_200010290468_100000210206 [0,2,0,0,0,0|1,1,0]=4 4294 B14R1.3723 COc1ccc(c(c1)OC(C)C)OC 34a_100000074795_100000210206 [0,2,0,0,0,0|2,0,0]=4 4295 B14R1.3723 COc1ccc(cc1C=C(C)C)C=O 271570a_100102525489_100000173361 [0,2,0,0,0,0|1,0,1]=4 4296 B14R1.3723 COc1ccc(cc1CC(=O)C)C=O 1458a_100000070787_100000028394 [0,2,0,0,0,0|1,0,1]=4 4297 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 2230a_100102631434_100000028394 [0,2,0,0,0,0|2,0,0]=4 4298 B14R1.3723 COc1ccc(cc1CN(C)C)C=O 269982a_100102631434_100000028394 [0,2,0,0,0,0|2,0,0]=4 4299 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 34a_100000188611_100000210206 [0,2,0,0,0,0|1,0,1]=4 4300 B14R1.3723 COc1ccc(cc1OC(C)C)C#N 7a_100000188611_100000210206 [0,2,0,0,0,0|1,0,1]=4 4301 B14R1.3723 COc1ccc(cc1OC(C)C)CN 34a_100000740000_100000210206 [0,2,0,0,0,0|1,0,1]=4 4302 B14R1.3723 COc1ccc(cc1OC(C)C)CO 34a_100011215239_100000210206 [0,2,0,0,0,0|0,0,2]=4 4303 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200000210301_200010232110 [0,2,0,0,0,0|2,0,0]=4 4304 B14R1.3723 COc1ccc(cc1OC(C)C)SC 62a_200010232110_200000210301 [0,2,0,0,0,0|2,0,0]=4 4305 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200010232110_200025704644 [0,2,0,0,0,0|2,0,0]=4 4306 B14R1.3723 COc1ccc(cc1OC(C)C)S[13CH3] 62a_200025704644_200010232110 [0,2,0,0,0,0|2,0,0]=4 4307 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000173361_100000210206 [0,2,0,0,0,0|0,1,0]=3 4308 B14R1.3723 COc1ccc(cc1SC(C)C)C=O 62a_100000210206_100000173361 [0,2,0,0,0,0|0,1,0]=3 4309 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100000210206_100010174741 [0,2,0,0,0,0|1,1,0]=4 4310 B14R1.3723 COc1ccc(nc1SC(C)C)C=O 62a_100010174741_100000210206 [0,2,0,0,0,0|1,1,0]=4 4311 B14R1.3723 COc1cnc(cc1SC(C)C)C=O 62a_100000210206_100010893078 [0,2,0,0,0,0|1,1,0]=4 4312 B14R1.3723 COc1cnc(cc1SC(C)C)C=O 62a_100010893078_100000210206 [0,2,0,0,0,0|1,1,0]=4 4313 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_100000210206_200010064893 [0,2,0,0,0,0|1,1,0]=4 4314 B14R1.3723 COc1ncc(cc1SC(C)C)C=O 62a_200010064893_100000210206 [0,2,0,0,0,0|1,1,0]=4 4315 B14R1.3724 C#CC(C)Sc1cc(ccc1Br)C=O 62a_200000035995_100010146563 [0,2,0,0,0,0|1,1,0]=4 4316 B14R1.3724 C#CC(C)Sc1cc(ccc1C)C=O 62a_200000035995_100000695567 [0,2,0,0,0,0|1,1,0]=4 4317 B14R1.3724 C#CC(C)Sc1cc(ccc1Cl)C=O 62a_200000035995_100010209939 [0,2,0,0,0,0|1,1,0]=4 4318 B14R1.3724 C#CC(C)Sc1cc(ccc1F)C=O 62a_200000035995_100000211747 [0,2,0,0,0,0|1,1,0]=4 4319 B14R1.3724 C#CC(C)Sc1cc(ccc1O)C=O 62a_200000035995_100000184552 [0,2,0,0,0,0|0,1,0]=3 4320 B14R1.3724 C#CC(C)Sc1cc(cnc1O)C=O 62a_200000035995_100010064886 [0,2,0,0,0,0|1,1,0]=4 4321 B14R1.3724 C=CC(C)Sc1cc(ccc1Br)C=O 62a_100011215867_100010146563 [0,2,0,0,0,0|1,1,0]=4 4322 B14R1.3724 C=CC(C)Sc1cc(ccc1C)C=O 62a_100011215867_100000695567 [0,2,0,0,0,0|1,1,0]=4 4323 B14R1.3724 C=CC(C)Sc1cc(ccc1Cl)C=O 62a_100011215867_100010209939 [0,2,0,0,0,0|1,1,0]=4 4324 B14R1.3724 C=CC(C)Sc1cc(ccc1F)C=O 62a_100011215867_100000211747 [0,2,0,0,0,0|1,1,0]=4 4325 B14R1.3724 C=CC(C)Sc1cc(ccc1O)C=O 62a_100011215867_100000184552 [0,2,0,0,0,0|0,1,0]=3 4326 B14R1.3724 C=CC(C)Sc1cc(cnc1O)C=O 62a_100011215867_100010064886 [0,2,0,0,0,0|1,1,0]=4 4327 B14R1.3724 CC(C#N)Sc1cc(ccc1Br)C=O 62a_100000703298_100010146563 [0,2,0,0,0,0|1,1,0]=4 4328 B14R1.3724 CC(C#N)Sc1cc(ccc1Br)C=O 62a_100010146563_100000703298 [0,2,0,0,0,0|1,1,0]=4 4329 B14R1.3724 CC(C#N)Sc1cc(ccc1Cl)C=O 62a_100000703298_100010209939 [0,2,0,0,0,0|1,1,0]=4 4330 B14R1.3724 CC(C#N)Sc1cc(ccc1Cl)C=O 62a_100010209939_100000703298 [0,2,0,0,0,0|1,1,0]=4 4331 B14R1.3724 CC(C#N)Sc1cc(ccc1F)C=O 62a_100000211747_100000703298 [0,2,0,0,0,0|1,1,0]=4 4332 B14R1.3724 CC(C#N)Sc1cc(ccc1F)C=O 62a_100000703298_100000211747 [0,2,0,0,0,0|1,1,0]=4 4333 B14R1.3724 CC(C#N)Sc1cc(ccc1O)C=O 62a_100000184552_100000703298 [0,2,0,0,0,0|0,1,0]=3 4334 B14R1.3724 CC(C#N)Sc1cc(ccc1O)C=O 62a_100000703298_100000184552 [0,2,0,0,0,0|0,1,0]=3 4335 B14R1.3724 CC(C#N)Sc1cc(cnc1O)C=O 62a_100000703298_100010064886 [0,2,0,0,0,0|1,1,0]=4 4336 B14R1.3724 CC(C#N)Sc1cc(cnc1O)C=O 62a_100010064886_100000703298 [0,2,0,0,0,0|1,1,0]=4 4337 B14R1.3724 CC(CO)Sc1cc(ccc1Br)C=O 62a_100012180447_100010146563 [0,2,0,0,0,0|1,1,0]=4 4338 B14R1.3724 CC(CO)Sc1cc(ccc1Cl)C=O 62a_100012180447_100010209939 [0,2,0,0,0,0|1,1,0]=4 4339 B14R1.3724 CC(CO)Sc1cc(ccc1F)C=O 62a_100012180447_100000211747 [0,2,0,0,0,0|1,1,0]=4 4340 B14R1.3724 CC(CO)Sc1cc(ccc1O)C=O 62a_100012180447_100000184552 [0,2,0,0,0,0|0,1,0]=3 4341 B14R1.3724 CC(CO)Sc1cc(cnc1O)C=O 62a_100012180447_100010064886 [0,2,0,0,0,0|1,1,0]=4 4342 B14R1.3724 CCC(C)Sc1cc(ccc1Br)C=O 62a_100000758301_100010146563 [0,2,0,0,0,0|1,1,0]=4 4343 B14R1.3724 CCC(C)Sc1cc(ccc1Br)C=O 62a_100010146563_100000758301 [0,2,0,0,0,0|1,1,0]=4 4344 B14R1.3724 CCC(C)Sc1cc(ccc1C)C=O 62a_100000695567_100000758301 [0,2,0,0,0,0|1,1,0]=4 4345 B14R1.3724 CCC(C)Sc1cc(ccc1C)C=O 62a_100000758301_100000695567 [0,2,0,0,0,0|1,1,0]=4 4346 B14R1.3724 CCC(C)Sc1cc(ccc1Cl)C=O 62a_100000758301_100010209939 [0,2,0,0,0,0|1,1,0]=4 4347 B14R1.3724 CCC(C)Sc1cc(ccc1Cl)C=O 62a_100010209939_100000758301 [0,2,0,0,0,0|1,1,0]=4 4348 B14R1.3724 CCC(C)Sc1cc(ccc1F)C=O 62a_100000211747_100000758301 [0,2,0,0,0,0|1,1,0]=4 4349 B14R1.3724 CCC(C)Sc1cc(ccc1F)C=O 62a_100000758301_100000211747 [0,2,0,0,0,0|1,1,0]=4 4350 B14R1.3724 CCC(C)Sc1cc(ccc1O)C=O 62a_100000184552_100000758301 [0,2,0,0,0,0|0,1,0]=3 4351 B14R1.3724 CCC(C)Sc1cc(ccc1O)C=O 62a_100000758301_100000184552 [0,2,0,0,0,0|0,1,0]=3 4352 B14R1.3724 CCC(C)Sc1cc(cnc1O)C=O 62a_100000758301_100010064886 [0,2,0,0,0,0|1,1,0]=4 4353 B14R1.3724 CCC(C)Sc1cc(cnc1O)C=O 62a_100010064886_100000758301 [0,2,0,0,0,0|1,1,0]=4 4354 B14R1.3724 COC(C)Sc1cc(ccc1Br)C=O 62a_100009879195_100010146563 [0,2,0,0,0,0|1,1,0]=4 4355 B14R1.3724 COC(C)Sc1cc(ccc1Br)C=O 62a_100010146563_100009879195 [0,2,0,0,0,0|1,1,0]=4 4356 B14R1.3724 COC(C)Sc1cc(ccc1C)C=O 62a_100000695567_100009879195 [0,2,0,0,0,0|1,1,0]=4 4357 B14R1.3724 COC(C)Sc1cc(ccc1C)C=O 62a_100009879195_100000695567 [0,2,0,0,0,0|1,1,0]=4 4358 B14R1.3724 COC(C)Sc1cc(ccc1Cl)C=O 62a_100009879195_100010209939 [0,2,0,0,0,0|1,1,0]=4 4359 B14R1.3724 COC(C)Sc1cc(ccc1Cl)C=O 62a_100010209939_100009879195 [0,2,0,0,0,0|1,1,0]=4 4360 B14R1.3724 COC(C)Sc1cc(ccc1F)C=O 62a_100000211747_100009879195 [0,2,0,0,0,0|1,1,0]=4 4361 B14R1.3724 COC(C)Sc1cc(ccc1F)C=O 62a_100009879195_100000211747 [0,2,0,0,0,0|1,1,0]=4 4362 B14R1.3724 COC(C)Sc1cc(ccc1O)C=O 62a_100000184552_100009879195 [0,2,0,0,0,0|0,1,0]=3 4363 B14R1.3724 COC(C)Sc1cc(ccc1O)C=O 62a_100009879195_100000184552 [0,2,0,0,0,0|0,1,0]=3 4364 B14R1.3724 COC(C)Sc1cc(cnc1O)C=O 62a_100009879195_100010064886 [0,2,0,0,0,0|1,1,0]=4 4365 B14R1.3724 COC(C)Sc1cc(cnc1O)C=O 62a_100010064886_100009879195 [0,2,0,0,0,0|1,1,0]=4 4366 B14R1.3724 C[C@H](CO)Sc1cc(ccc1Br)C=O 62a_100010146563_100016084084 [0,2,0,0,0,0|1,1,0]=4 4367 B14R1.3724 C[C@H](CO)Sc1cc(ccc1Br)C=O 62a_100016084084_100010146563 [0,2,0,0,0,0|1,1,0]=4 4368 B14R1.3724 C[C@H](CO)Sc1cc(ccc1Cl)C=O 62a_100010209939_100016084084 [0,2,0,0,0,0|1,1,0]=4 4369 B14R1.3724 C[C@H](CO)Sc1cc(ccc1Cl)C=O 62a_100016084084_100010209939 [0,2,0,0,0,0|1,1,0]=4 4370 B14R1.3724 C[C@H](CO)Sc1cc(ccc1F)C=O 62a_100000211747_100016084084 [0,2,0,0,0,0|1,1,0]=4 4371 B14R1.3724 C[C@H](CO)Sc1cc(ccc1F)C=O 62a_100016084084_100000211747 [0,2,0,0,0,0|1,1,0]=4 4372 B14R1.3724 C[C@H](CO)Sc1cc(ccc1O)C=O 62a_100000184552_100016084084 [0,2,0,0,0,0|0,1,0]=3 4373 B14R1.3724 C[C@H](CO)Sc1cc(ccc1O)C=O 62a_100016084084_100000184552 [0,2,0,0,0,0|0,1,0]=3 4374 B14R1.3724 C[C@H](CO)Sc1cc(cnc1O)C=O 62a_100010064886_100016084084 [0,2,0,0,0,0|1,1,0]=4 4375 B14R1.3724 C[C@H](CO)Sc1cc(cnc1O)C=O 62a_100016084084_100010064886 [0,2,0,0,0,0|1,1,0]=4 4376 B14R1.3724 Cc1ccc(cc1SC(C)C#N)C=O 62a_100000695567_100000703298 [0,2,0,0,0,0|1,1,0]=4 4377 B14R1.3724 Cc1ccc(cc1SC(C)C#N)C=O 62a_100000703298_100000695567 [0,2,0,0,0,0|1,1,0]=4 4378 B14R1.3724 Cc1ccc(cc1SC(C)CO)C=O 62a_100012180447_100000695567 [0,2,0,0,0,0|1,1,0]=4 4379 B14R1.3724 Cc1ccc(cc1S[C@H](C)CO)C=O 62a_100000695567_100016084084 [0,2,0,0,0,0|1,1,0]=4 4380 B14R1.3724 Cc1ccc(cc1S[C@H](C)CO)C=O 62a_100016084084_100000695567 [0,2,0,0,0,0|1,1,0]=4 4381 B14R1.3724 N#CC(F)Sc1cc(ccc1O)C=O 62a_100000184552_200000117898 [0,2,0,0,0,0|0,1,1]=4 4382 B14R1.3724 N#CC(F)Sc1cc(ccc1O)C=O 62a_200000117898_100000184552 [0,2,0,0,0,0|0,1,1]=4 4383 B14R1.436 CC=Cc1cc(ccc1O)C(=O)OC 271570a_100016259895_100000216328 [0,2,0,0,0,0|1,0,1]=4 4384 B14R1.436 CCCc1cc(ccc1F)C(=O)CC 1458a_100009923992_100000210202 [0,2,0,0,0,0|2,0,0]=4 4385 B14R1.436 CCCc1cc(ccc1F)C(=O)CF 1458a_100009923992_100015361967 [0,2,0,0,0,0|2,0,0]=4 4386 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 11a_106832991635_100009923992 [0,2,0,0,0,0|2,0,0]=4 4387 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 1626a_100102657272_100009923992 [0,2,0,0,0,0|2,0,0]=4 4388 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 240690a_100102657272_100009923992 [0,2,0,0,0,0|2,0,0]=4 4389 B14R1.436 CCCc1cc(ccc1F)C(=O)NC 527a_100102657272_100009923992 [0,2,0,0,0,0|2,0,0]=4 4390 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 2230a_100000737617_100000210202 [0,2,0,0,0,0|2,0,0]=4 4391 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 34a_100000737617_100000210202 [0,2,0,0,0,0|2,0,0]=4 4392 B14R1.436 CCNc1cc(ccc1C)C(=O)NC 7a_100000737617_100000210202 [0,2,0,0,0,0|2,0,0]=4 4393 B14R1.436 CCNc1cc(ccc1Cl)C(=O)NC 34a_100000740709_100000210202 [0,2,0,0,0,0|2,0,0]=4 4394 B14R1.436 CCNc1cc(ccc1F)C(=O)NC 27a_100015525214_200012359898 [0,2,0,0,0,0|2,0,0]=4 4395 B14R1.436 CCNc1cc(ccc1F)C(=O)NC 34a_100011295210_100000210202 [0,2,0,0,0,0|2,0,0]=4 4396 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 34a_100011934688_100000210202 [0,2,0,0,0,0|1,0,0]=3 4397 B14R1.436 CCOc1cc(ccc1Br)C(=O)OC 7a_100011934688_100000210202 [0,2,0,0,0,0|1,0,0]=3 4398 B14R1.436 CCOc1cc(ccc1C)C(=O)CC 1458a_100000238212_100000210202 [0,2,0,0,0,0|1,0,0]=3 4399 B14R1.436 CCOc1cc(ccc1C)C(=O)CF 1458a_100000238212_100015361967 [0,2,0,0,0,0|1,0,0]=3 4400 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 11a_106832991635_100000238212 [0,2,0,0,0,0|1,0,0]=3 4401 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 1626a_100102657272_100000238212 [0,2,0,0,0,0|1,0,0]=3 4402 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 240690a_100102657272_100000238212 [0,2,0,0,0,0|1,0,0]=3 4403 B14R1.436 CCOc1cc(ccc1C)C(=O)NC 527a_100102657272_100000238212 [0,2,0,0,0,0|1,0,0]=3 4404 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 34a_100000736511_100000210202 [0,2,0,0,0,0|1,0,0]=3 4405 B14R1.436 CCOc1cc(ccc1C)C(=O)OC 7a_100000736511_100000210202 [0,2,0,0,0,0|1,0,0]=3 4406 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CC 1458a_200010207389_100000210202 [0,2,0,0,0,0|1,0,0]=3 4407 B14R1.436 CCOc1cc(ccc1Cl)C(=O)CF 1458a_200010207389_100015361967 [0,2,0,0,0,0|1,0,0]=3 4408 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 11a_106832991635_200010207389 [0,2,0,0,0,0|1,0,0]=3 4409 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 1626a_100102657272_200010207389 [0,2,0,0,0,0|1,0,0]=3 4410 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 240690a_100102657272_200010207389 [0,2,0,0,0,0|1,0,0]=3 4411 B14R1.436 CCOc1cc(ccc1Cl)C(=O)NC 527a_100102657272_200010207389 [0,2,0,0,0,0|1,0,0]=3 4412 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 34a_100000103815_100000210202 [0,2,0,0,0,0|1,0,0]=3 4413 B14R1.436 CCOc1cc(ccc1Cl)C(=O)OC 7a_100000103815_100000210202 [0,2,0,0,0,0|1,0,0]=3 4414 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 34a_100000062259_100000210202 [0,2,0,0,0,0|1,0,0]=3 4415 B14R1.436 CCOc1cc(ccc1F)C(=O)OC 7a_100000062259_100000210202 [0,2,0,0,0,0|1,0,0]=3 4416 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 34a_100012350776_100000210202 [0,2,0,0,0,0|1,0,0]=3 4417 B14R1.436 CCOc1cc(ccc1I)C(=O)OC 7a_100012350776_100000210202 [0,2,0,0,0,0|1,0,0]=3 4418 B14R1.436 CCOc1cc(ccc1N)C(=O)NN 34a_200000073589_100000210202 [0,2,0,0,0,0|1,0,0]=3 4419 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 34a_100000757247_100000210202 [0,2,0,0,0,0|1,0,0]=3 4420 B14R1.436 CCOc1cc(ccc1N)C(=O)OC 7a_100000757247_100000210202 [0,2,0,0,0,0|1,0,0]=3 4421 B14R1.436 CCOc1cc(ccc1O)C(=O)CC 1458a_100011260950_100000210202 [0,2,0,0,0,0|0,0,0]=2 4422 B14R1.436 CCOc1cc(ccc1O)C(=O)CF 1458a_100011260950_100015361967 [0,2,0,0,0,0|0,0,0]=2 4423 B14R1.436 CCOc1cc(ccc1O)C(=O)NC 240690a_100102657272_100011260950 [0,2,0,0,0,0|0,0,0]=2 4424 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 34a_100009840551_100000210202 [0,2,0,0,0,0|2,0,0]=4 4425 B14R1.436 CCOc1cc(cnc1Cl)C(=O)OC 7a_100009840551_100000210202 [0,2,0,0,0,0|2,0,0]=4 4426 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 34a_100010999399_100000210202 [0,2,0,0,0,0|2,0,0]=4 4427 B14R1.436 CCOc1cc(cnc1I)C(=O)OC 7a_100010999399_100000210202 [0,2,0,0,0,0|2,0,0]=4 4428 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 34a_100009857207_100000210202 [0,2,0,0,0,0|2,0,0]=4 4429 B14R1.436 CCOc1cc(cnc1N)C(=O)OC 7a_100009857207_100000210202 [0,2,0,0,0,0|2,0,0]=4 4430 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100000210202_100012349818 [0,2,0,0,0,0|1,1,0]=4 4431 B14R1.436 CCSc1cc(ccc1Br)C(=O)OC 62a_100012349818_100000210202 [0,2,0,0,0,0|1,1,0]=4 4432 B14R1.436 CCSc1cc(ccc1C)C(=O)NN 62a_100000188075_100000210202 [0,2,0,0,0,0|1,1,0]=4 4433 B14R1.436 CCSc1cc(ccc1C)C(=O)NN 62a_100000210202_100000188075 [0,2,0,0,0,0|1,1,0]=4 4434 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000210202_100000723194 [0,2,0,0,0,0|1,1,0]=4 4435 B14R1.436 CCSc1cc(ccc1C)C(=O)OC 62a_100000723194_100000210202 [0,2,0,0,0,0|1,1,0]=4 4436 B14R1.436 CCSc1cc(ccc1Cl)C(=O)NN 62a_100000046573_100000210202 [0,2,0,0,0,0|1,1,0]=4 4437 B14R1.436 CCSc1cc(ccc1Cl)C(=O)NN 62a_100000210202_100000046573 [0,2,0,0,0,0|1,1,0]=4 4438 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100000210202_100011294800 [0,2,0,0,0,0|1,1,0]=4 4439 B14R1.436 CCSc1cc(ccc1Cl)C(=O)OC 62a_100011294800_100000210202 [0,2,0,0,0,0|1,1,0]=4 4440 B14R1.436 CCSc1cc(ccc1F)C(=O)CC 62a_100000210202_100011216493 [0,2,0,0,0,0|1,1,0]=4 4441 B14R1.436 CCSc1cc(ccc1F)C(=O)CC 62a_100011216493_100000210202 [0,2,0,0,0,0|1,1,0]=4 4442 B14R1.436 CCSc1cc(ccc1F)C(=O)NC 62a_100000210202_200012359898 [0,2,0,0,0,0|1,1,0]=4 4443 B14R1.436 CCSc1cc(ccc1F)C(=O)NC 62a_200012359898_100000210202 [0,2,0,0,0,0|1,1,0]=4 4444 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000210202_100000722584 [0,2,0,0,0,0|1,1,0]=4 4445 B14R1.436 CCSc1cc(ccc1F)C(=O)OC 62a_100000722584_100000210202 [0,2,0,0,0,0|1,1,0]=4 4446 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000187552_100000210202 [0,2,0,0,0,0|1,1,0]=4 4447 B14R1.436 CCSc1cc(ccc1N)C(=O)OC 62a_100000210202_100000187552 [0,2,0,0,0,0|1,1,0]=4 4448 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000210202_100000216328 [0,2,0,0,0,0|0,1,0]=3 4449 B14R1.436 CCSc1cc(ccc1O)C(=O)OC 62a_100000216328_100000210202 [0,2,0,0,0,0|0,1,0]=3 4450 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100000210202_100010109663 [0,2,0,0,0,0|1,1,0]=4 4451 B14R1.436 CCSc1cc(cnc1O)C(=O)OC 62a_100010109663_100000210202 [0,2,0,0,0,0|1,1,0]=4 4452 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_100000210202_200009815348 [0,2,0,0,0,0|1,1,0]=4 4453 B14R1.436 CCSc1nc(ccc1O)C(=O)OC 62a_200009815348_100000210202 [0,2,0,0,0,0|1,1,0]=4 4454 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 34a_100011934688_100015361967 [0,2,0,0,0,0|2,0,0]=4 4455 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Br 7a_100011934688_100015361967 [0,2,0,0,0,0|2,0,0]=4 4456 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 34a_100000736511_100015361967 [0,2,0,0,0,0|2,0,0]=4 4457 B14R1.436 COC(=O)c1ccc(c(c1)OCF)C 7a_100000736511_100015361967 [0,2,0,0,0,0|2,0,0]=4 4458 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 34a_100000103815_100015361967 [0,2,0,0,0,0|2,0,0]=4 4459 B14R1.436 COC(=O)c1ccc(c(c1)OCF)Cl 7a_100000103815_100015361967 [0,2,0,0,0,0|2,0,0]=4 4460 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 34a_100000062259_100015361967 [0,2,0,0,0,0|2,0,0]=4 4461 B14R1.436 COC(=O)c1ccc(c(c1)OCF)F 7a_100000062259_100015361967 [0,2,0,0,0,0|2,0,0]=4 4462 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 34a_100012350776_100015361967 [0,2,0,0,0,0|2,0,0]=4 4463 B14R1.436 COC(=O)c1ccc(c(c1)OCF)I 7a_100012350776_100015361967 [0,2,0,0,0,0|2,0,0]=4 4464 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 34a_100000757247_100015361967 [0,2,0,0,0,0|2,0,0]=4 4465 B14R1.436 COC(=O)c1ccc(c(c1)OCF)N 7a_100000757247_100015361967 [0,2,0,0,0,0|2,0,0]=4 4466 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100000216328_100015361967 [0,2,0,0,0,0|1,1,0]=4 4467 B14R1.436 COC(=O)c1ccc(c(c1)SCF)O 62a_100015361967_100000216328 [0,2,0,0,0,0|1,1,0]=4 4468 B14R1.436 COCc1cc(ccc1O)C(=O)OC 271570a_203496583355_200010890493 [0,2,0,0,0,0|2,0,0]=4 4469 B14R1.436 NNC(=O)c1ccc(c(c1)OCF)N 34a_200000073589_100015361967 [0,2,0,0,0,0|2,0,0]=4 4470 B14R1.437 CCNc1cc(ccc1O)S(=O)(=O)C 34a_100000186253_100000210202 [0,2,0,0,0,0|2,0,0]=4 4471 B14R1.437 CCNc1cc(ccc1O)S(=O)(=O)C 7a_100000186253_100000210202 [0,2,0,0,0,0|2,0,0]=4 4472 B14R1.437 CCOc1cc(ccc1O)C(C)(C)C 271570a_203496583355_100015831488 [0,2,0,0,0,0|1,0,1]=4 4473 B14R1.437 CCOc1cc(ccc1O)C(F)(F)F 271570a_203496583355_100010264445 [0,2,0,0,0,0|1,0,1]=4 4474 B14R1.441 C=C(C)c1ccc(c(c1)OCC)C#N 271570a_100000694244_100013120067 [0,2,0,0,0,0|2,0,0]=4 4475 B14R1.441 C=C(C)c1ccc(c(c1)OCC)OC 271570a_100000694244_200010219349 [0,2,0,0,0,0|1,0,0]=3 4476 B14R1.441 CC=Cc1cc(ccc1OC)C(=O)C 271570a_100016259895_100000185153 [0,2,0,0,0,0|1,0,1]=4 4477 B14R1.441 CCNc1cc(ccc1OC)C(=O)N 34a_100000740584_100000210202 [0,2,0,0,0,0|1,0,0]=3 4478 B14R1.441 CCNc1cc(ccc1OC)[N+](=O)[O-] 34a_100000738153_100000210202 [0,2,0,0,0,0|2,0,0]=4 4479 B14R1.441 CCOc1cc(ccc1C#N)[N+](=O)[O-] 34a_100000050256_100000210202 [0,2,0,0,0,0|2,0,0]=4 4480 B14R1.441 CCOc1cc(ccc1C#N)[N+](=O)[O-] 7a_100000050256_100000210202 [0,2,0,0,0,0|2,0,0]=4 4481 B14R1.441 CCOc1cc(ccc1CO)[N+](=O)[O-] 34a_100000089567_100000210202 [0,2,0,0,0,0|1,0,0]=3 4482 B14R1.441 CCOc1cc(ccc1CO)[N+](=O)[O-] 7a_100000089567_100000210202 [0,2,0,0,0,0|1,0,0]=3 4483 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 1458a_100000181421_200000210301 [0,2,0,0,0,0|0,0,0]=2 4484 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 34a_100000732934_100000210202 [0,2,0,0,0,0|0,0,0]=2 4485 B14R1.441 CCOc1cc(ccc1OC)C(=O)C 7a_100000732934_100000210202 [0,2,0,0,0,0|0,0,0]=2 4486 B14R1.441 CCOc1cc(ccc1OC)C(=O)[13CH3] 1458a_100000181421_200025704644 [0,2,0,0,0,0|0,0,0]=2 4487 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 34a_100000211812_100000210202 [0,2,0,0,0,0|1,0,0]=3 4488 B14R1.441 CCOc1cc(ccc1OC)[N+](=O)[O-] 7a_100000211812_100000210202 [0,2,0,0,0,0|1,0,0]=3 4489 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000185153_100000210202 [0,2,0,0,0,0|0,1,0]=3 4490 B14R1.441 CCSc1cc(ccc1OC)C(=O)C 62a_100000210202_100000039561 [0,2,0,0,0,0|0,1,0]=3 4491 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 2230a_106832991635_100000199119 [0,2,0,0,0,0|2,0,0]=4 4492 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 26a_100102657272_100000732934 [0,2,0,0,0,0|2,0,0]=4 4493 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 34a_100102657272_100000199119 [0,2,0,0,0,0|2,0,0]=4 4494 B14R1.441 CNCc1cc(ccc1OC)C(=O)C 7a_106832991635_100000199119 [0,2,0,0,0,0|2,0,0]=4 4495 B14R1.441 COCc1cc(ccc1OC)C(=O)C 34a_100138415774_100000199119 [0,2,0,0,0,0|2,0,0]=4 4496 B14R1.441 COCc1cc(ccc1OC)C(=O)C 7a_100000246370_200000210301 [0,2,0,0,0,0|2,0,0]=4 4497 B14R1.441 COc1ccc(cc1CO[13CH3])C(=O)C 7a_100000246370_200025704644 [0,2,0,0,0,0|2,0,0]=4 4498 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_100000199119_200000210301 [0,2,0,0,0,0|2,0,0]=4 4499 B14R1.441 COc1ccc(cc1CSC)C(=O)C 62a_200000210301_100000199119 [0,2,0,0,0,0|2,0,0]=4 4500 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_100000199119_200025704644 [0,2,0,0,0,0|2,0,0]=4 4501 B14R1.441 COc1ccc(cc1CS[13CH3])C(=O)C 62a_200025704644_100000199119 [0,2,0,0,0,0|2,0,0]=4 4502 B14R1.441 COc1ccc(cc1NCF)C(=O)N 34a_100000740584_100015361967 [0,2,0,0,0,0|2,0,0]=4 4503 B14R1.441 COc1ccc(cc1OCF)C(=O)C 34a_100000732934_100015361967 [0,2,0,0,0,0|1,0,0]=3 4504 B14R1.441 COc1ccc(cc1OCF)C(=O)C 7a_100000732934_100015361967 [0,2,0,0,0,0|1,0,0]=3 4505 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 34a_100000211812_100015361967 [0,2,0,0,0,0|2,0,0]=4 4506 B14R1.441 COc1ccc(cc1OCF)[N+](=O)[O-] 7a_100000211812_100015361967 [0,2,0,0,0,0|2,0,0]=4 4507 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100000185153_100015361967 [0,2,0,0,0,0|1,1,0]=4 4508 B14R1.441 COc1ccc(cc1SCF)C(=O)C 62a_100015361967_100000039561 [0,2,0,0,0,0|1,1,0]=4 4509 B14R1.441 O=[N+]([O-])c1ccc(c(c1)OCF)CO 34a_100000089567_100015361967 [0,2,0,0,0,0|2,0,0]=4 4510 B14R1.441 O=[N+]([O-])c1ccc(c(c1)OCF)CO 7a_100000089567_100015361967 [0,2,0,0,0,0|2,0,0]=4 4511 B14R1.706 C=C(C)c1ccc(c(c1)C(=O)CC)O 271570a_100000694244_100000183607 [0,2,0,0,0,0|2,0,0]=4 4512 B14R1.706 CCC(=O)c1cc(ccc1O)[N+](=O)[O-] 1458a_100000740180_100000210202 [0,2,0,0,0,0|2,0,0]=4 4513 B14R1.706 COC(=O)c1cc(ccc1O)C(=O)C 271570a_203496583355_100010125496 [0,2,0,0,0,0|2,0,0]=4 4514 B14R1.758 C#CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000184674 [0,2,0,0,0,0|1,0,1]=4 4515 B14R1.758 C#CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000038162 [0,2,0,0,0,0|1,0,1]=4 4516 B14R1.758 C#CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000184674 [0,2,0,0,0,0|1,0,1]=4 4517 B14R1.758 C#CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000038162 [0,2,0,0,0,0|1,0,1]=4 4518 B14R1.758 C#CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000184674 [0,2,0,0,0,0|1,0,1]=4 4519 B14R1.758 C#CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000038162 [0,2,0,0,0,0|1,0,1]=4 4520 B14R1.758 C#CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000184674 [0,2,0,0,0,0|1,0,1]=4 4521 B14R1.758 C#CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000038162 [0,2,0,0,0,0|1,0,1]=4 4522 B14R1.758 C=C(C)c1ccc(c(c1)CNCC)O 271570a_100000694244_100000765307 [0,2,0,0,0,0|2,0,0]=4 4523 B14R1.758 C=CCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100015514636 [0,2,0,0,0,0|1,0,1]=4 4524 B14R1.758 C=CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100015514636 [0,2,0,0,0,0|1,0,1]=4 4525 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 34a_100000084092_100015514636 [0,2,0,0,0,0|1,0,1]=4 4526 B14R1.758 C=CCOc1cc(ccc1C)C(=O)C 7a_100000084092_100015514636 [0,2,0,0,0,0|1,0,1]=4 4527 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 34a_100000117923_100015514636 [0,2,0,0,0,0|1,0,1]=4 4528 B14R1.758 C=CCOc1cc(ccc1F)C(=O)C 7a_100000117923_100015514636 [0,2,0,0,0,0|1,0,1]=4 4529 B14R1.758 C=CCOc1cc(ccc1N)C(=O)N 34a_100011850428_100015514636 [0,2,0,0,0,0|1,0,1]=4 4530 B14R1.758 C=CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100015514636 [0,2,0,0,0,0|1,0,1]=4 4531 B14R1.758 C=CCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210623 [0,2,0,0,0,0|0,1,1]=4 4532 B14R1.758 CC(=O)c1ccc(c(c1)CSCF)O 62a_100000010293_100015361967 [0,2,0,0,0,0|1,1,0]=4 4533 B14R1.758 CC(=O)c1ccc(c(c1)OCC#N)C 7a_100000084092_100011215382 [0,2,0,0,0,0|1,0,1]=4 4534 B14R1.758 CC(=O)c1ccc(c(c1)OCC#N)F 7a_100000117923_100011215382 [0,2,0,0,0,0|1,0,1]=4 4535 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)C 34a_100000084092_200009817547 [0,2,0,0,0,0|1,0,1]=4 4536 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)C 7a_100000084092_200015260668 [0,2,0,0,0,0|1,0,1]=4 4537 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)F 34a_100000117923_200009817547 [0,2,0,0,0,0|1,0,1]=4 4538 B14R1.758 CC(=O)c1ccc(c(c1)OCC=O)F 7a_100000117923_200015260668 [0,2,0,0,0,0|1,0,1]=4 4539 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)C 34a_100000084092_100011217306 [0,2,0,0,0,0|1,0,0]=3 4540 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)C 7a_100000084092_100011217306 [0,2,0,0,0,0|1,0,0]=3 4541 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)F 34a_100000117923_100011217306 [0,2,0,0,0,0|1,0,0]=3 4542 B14R1.758 CC(=O)c1ccc(c(c1)OCCF)F 7a_100000117923_100011217306 [0,2,0,0,0,0|1,0,0]=3 4543 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)C 34a_100000084092_100000211926 [0,2,0,0,0,0|1,0,0]=3 4544 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)C 7a_100000084092_100000211926 [0,2,0,0,0,0|1,0,0]=3 4545 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)F 34a_100000117923_100000211926 [0,2,0,0,0,0|1,0,0]=3 4546 B14R1.758 CC(=O)c1ccc(c(c1)OCCO)F 7a_100000117923_100000211926 [0,2,0,0,0,0|1,0,0]=3 4547 B14R1.758 CC(=O)c1ccc(c(c1)SCC#N)O 62a_100011772453_100011215382 [0,2,0,0,0,0|0,1,1]=4 4548 B14R1.758 CC(=O)c1ccc(c(c1)SCC=O)O 62a_100011772453_200015260668 [0,2,0,0,0,0|0,1,1]=4 4549 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)Br 62a_100010146556_100011217306 [0,2,0,0,0,0|1,1,0]=4 4550 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)Br 62a_100011217306_100010146556 [0,2,0,0,0,0|1,1,0]=4 4551 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)C 62a_100011217306_100011934287 [0,2,0,0,0,0|1,1,0]=4 4552 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)C 62a_100011934287_100011217306 [0,2,0,0,0,0|1,1,0]=4 4553 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)F 62a_100000239719_100011217306 [0,2,0,0,0,0|1,1,0]=4 4554 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)F 62a_100011217306_100000239719 [0,2,0,0,0,0|1,1,0]=4 4555 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)N 62a_100012029215_100011217306 [0,2,0,0,0,0|1,1,0]=4 4556 B14R1.758 CC(=O)c1ccc(c(c1)SCCF)O 62a_100011772453_100011217306 [0,2,0,0,0,0|0,1,0]=3 4557 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)Br 62a_100000211926_100010146556 [0,2,0,0,0,0|1,1,0]=4 4558 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)Br 62a_100010146556_100000211926 [0,2,0,0,0,0|1,1,0]=4 4559 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)C 62a_100000211926_100011934287 [0,2,0,0,0,0|1,1,0]=4 4560 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)C 62a_100011934287_100000211926 [0,2,0,0,0,0|1,1,0]=4 4561 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)F 62a_100000211926_100000239719 [0,2,0,0,0,0|1,1,0]=4 4562 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)F 62a_100000239719_100000211926 [0,2,0,0,0,0|1,1,0]=4 4563 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)N 62a_100012029215_100000211926 [0,2,0,0,0,0|1,1,0]=4 4564 B14R1.758 CC(=O)c1ccc(c(c1)SCCO)O 62a_100011772453_100000211926 [0,2,0,0,0,0|0,1,0]=3 4565 B14R1.758 CCCCc1cc(ccc1Br)C(=O)C 271570a_100020621405_100010146556 [0,2,0,0,0,0|2,0,0]=4 4566 B14R1.758 CCCCc1cc(ccc1C)C(=O)C 271570a_100020621405_100011934287 [0,2,0,0,0,0|2,0,0]=4 4567 B14R1.758 CCCCc1cc(ccc1C)C(=O)N 271570a_100020621405_100000186401 [0,2,0,0,0,0|2,0,0]=4 4568 B14R1.758 CCCCc1cc(ccc1F)C(=O)C 271570a_100020621405_100000239719 [0,2,0,0,0,0|2,0,0]=4 4569 B14R1.758 CCCCc1cc(ccc1F)C(=O)N 271570a_100020621405_100011202321 [0,2,0,0,0,0|2,0,0]=4 4570 B14R1.758 CCCCc1cc(ccc1N)C(=O)C 271570a_100020621405_100012029215 [0,2,0,0,0,0|2,0,0]=4 4571 B14R1.758 CCCCc1cc(ccc1O)C(=O)C 271570a_100020621405_100011772453 [0,2,0,0,0,0|1,0,0]=3 4572 B14R1.758 CCCNc1cc(ccc1C)C(=O)N 34a_100000188646_100000210303 [0,2,0,0,0,0|2,0,0]=4 4573 B14R1.758 CCCNc1cc(ccc1C)C(=O)N 7a_100000188646_100000210303 [0,2,0,0,0,0|2,0,0]=4 4574 B14R1.758 CCCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100000210303 [0,2,0,0,0,0|2,0,0]=4 4575 B14R1.758 CCCNc1cc(ccc1F)C(=O)N 34a_100000740466_100000210303 [0,2,0,0,0,0|2,0,0]=4 4576 B14R1.758 CCCNc1cc(ccc1O)[N+](=O)[O-] 7a_100000181223_100000210303 [0,2,0,0,0,0|2,0,0]=4 4577 B14R1.758 CCCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100000210303 [0,2,0,0,0,0|1,0,0]=3 4578 B14R1.758 CCCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100000210303 [0,2,0,0,0,0|1,0,0]=3 4579 B14R1.758 CCCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100000210303 [0,2,0,0,0,0|2,0,0]=4 4580 B14R1.758 CCCOc1cc(ccc1Br)[N+](=O)[O-] 7a_100000691124_100000210303 [0,2,0,0,0,0|2,0,0]=4 4581 B14R1.758 CCCOc1cc(ccc1C)C(=O)C 34a_100000084092_100000210303 [0,2,0,0,0,0|1,0,0]=3 4582 B14R1.758 CCCOc1cc(ccc1C)C(=O)C 7a_100000084092_100000210303 [0,2,0,0,0,0|1,0,0]=3 4583 B14R1.758 CCCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100000210303 [0,2,0,0,0,0|2,0,0]=4 4584 B14R1.758 CCCOc1cc(ccc1C)[N+](=O)[O-] 7a_100000740739_100000210303 [0,2,0,0,0,0|2,0,0]=4 4585 B14R1.758 CCCOc1cc(ccc1Cl)C(=O)C 1458a_200010157554_200000210301 [0,2,0,0,0,0|1,0,0]=3 4586 B14R1.758 CCCOc1cc(ccc1Cl)C(=O)[13CH3] 1458a_200010157554_200025704644 [0,2,0,0,0,0|1,0,0]=3 4587 B14R1.758 CCCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100000210303 [0,2,0,0,0,0|2,0,0]=4 4588 B14R1.758 CCCOc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000188705_100000210303 [0,2,0,0,0,0|2,0,0]=4 4589 B14R1.758 CCCOc1cc(ccc1F)C(=O)C 34a_100000117923_100000210303 [0,2,0,0,0,0|1,0,0]=3 4590 B14R1.758 CCCOc1cc(ccc1F)C(=O)C 7a_100000117923_100000210303 [0,2,0,0,0,0|1,0,0]=3 4591 B14R1.758 CCCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100000210303 [0,2,0,0,0,0|2,0,0]=4 4592 B14R1.758 CCCOc1cc(ccc1F)[N+](=O)[O-] 7a_100011294461_100000210303 [0,2,0,0,0,0|2,0,0]=4 4593 B14R1.758 CCCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100000210303 [0,2,0,0,0,0|2,0,0]=4 4594 B14R1.758 CCCOc1cc(ccc1I)[N+](=O)[O-] 7a_100000072739_100000210303 [0,2,0,0,0,0|2,0,0]=4 4595 B14R1.758 CCCOc1cc(ccc1N)C(=O)N 34a_100011850428_100000210303 [0,2,0,0,0,0|1,0,0]=3 4596 B14R1.758 CCCOc1cc(ccc1N)C(=O)N 7a_100011850428_100000210303 [0,2,0,0,0,0|1,0,0]=3 4597 B14R1.758 CCCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100000210303 [0,2,0,0,0,0|2,0,0]=4 4598 B14R1.758 CCCOc1cc(ccc1N)[N+](=O)[O-] 7a_100000210499_100000210303 [0,2,0,0,0,0|2,0,0]=4 4599 B14R1.758 CCCSc1cc(ccc1Br)C(=O)C 62a_100000210303_100010146556 [0,2,0,0,0,0|1,1,0]=4 4600 B14R1.758 CCCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000210303 [0,2,0,0,0,0|1,1,0]=4 4601 B14R1.758 CCCSc1cc(ccc1C)C(=O)C 62a_100000210303_100011934287 [0,2,0,0,0,0|1,1,0]=4 4602 B14R1.758 CCCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000210303 [0,2,0,0,0,0|1,1,0]=4 4603 B14R1.758 CCCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000210303 [0,2,0,0,0,0|1,1,0]=4 4604 B14R1.758 CCCSc1cc(ccc1C)C(=O)N 62a_100000210303_100000186401 [0,2,0,0,0,0|1,1,0]=4 4605 B14R1.758 CCCSc1cc(ccc1F)C(=O)C 62a_100000210303_100000239719 [0,2,0,0,0,0|1,1,0]=4 4606 B14R1.758 CCCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000210303 [0,2,0,0,0,0|1,1,0]=4 4607 B14R1.758 CCCSc1cc(ccc1F)C(=O)N 62a_100000210303_100011202321 [0,2,0,0,0,0|1,1,0]=4 4608 B14R1.758 CCCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000210303 [0,2,0,0,0,0|1,1,0]=4 4609 B14R1.758 CCCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000210303 [0,2,0,0,0,0|1,1,0]=4 4610 B14R1.758 CCCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000210303 [0,2,0,0,0,0|0,1,0]=3 4611 B14R1.758 CCNCc1cc(ccc1O)[N+](=O)[O-] 2230a_100015525214_200009813932 [0,2,0,0,0,0|2,0,0]=4 4612 B14R1.758 CCOCc1cc(ccc1Br)[N+](=O)[O-] 34a_100121572206_100010254470 [0,2,0,0,0,0|2,0,0]=4 4613 B14R1.758 CCOCc1cc(ccc1Br)[N+](=O)[O-] 7a_200010255310_100000210202 [0,2,0,0,0,0|2,0,0]=4 4614 B14R1.758 CCOCc1cc(ccc1C)[N+](=O)[O-] 34a_100000075575_100000210202 [0,2,0,0,0,0|2,0,0]=4 4615 B14R1.758 CCOCc1cc(ccc1C)[N+](=O)[O-] 34a_100121572206_100010238791 [0,2,0,0,0,0|2,0,0]=4 4616 B14R1.758 CCOCc1cc(ccc1C)[N+](=O)[O-] 7a_100000075575_100000210202 [0,2,0,0,0,0|2,0,0]=4 4617 B14R1.758 CCOCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000756606_100000210202 [0,2,0,0,0,0|2,0,0]=4 4618 B14R1.758 CCOCc1cc(ccc1Cl)[N+](=O)[O-] 34a_100121572206_100011273546 [0,2,0,0,0,0|2,0,0]=4 4619 B14R1.758 CCOCc1cc(ccc1Cl)[N+](=O)[O-] 7a_100000756606_100000210202 [0,2,0,0,0,0|2,0,0]=4 4620 B14R1.758 CCOCc1cc(ccc1F)[N+](=O)[O-] 34a_100011214969_100000210202 [0,2,0,0,0,0|2,0,0]=4 4621 B14R1.758 CCOCc1cc(ccc1F)[N+](=O)[O-] 34a_100121572206_100012145679 [0,2,0,0,0,0|2,0,0]=4 4622 B14R1.758 CCOCc1cc(ccc1F)[N+](=O)[O-] 7a_100011214969_100000210202 [0,2,0,0,0,0|2,0,0]=4 4623 B14R1.758 CCOCc1cc(ccc1O)C(=O)C 34a_100121572206_100000010293 [0,2,0,0,0,0|0,0,0]=2 4624 B14R1.758 CCOCc1cc(ccc1O)[N+](=O)[O-] 34a_100121572206_200009813932 [0,2,0,0,0,0|1,0,0]=3 4625 B14R1.758 CCSCc1cc(ccc1O)C(=O)C 62a_100000010293_100000210202 [0,2,0,0,0,0|0,1,0]=3 4626 B14R1.758 COCSc1cc(ccc1Br)C(=O)C 62a_100000766300_100010146556 [0,2,0,0,0,0|1,1,0]=4 4627 B14R1.758 COCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100000766300 [0,2,0,0,0,0|1,1,0]=4 4628 B14R1.758 COCSc1cc(ccc1C)C(=O)C 62a_100000766300_100011934287 [0,2,0,0,0,0|1,1,0]=4 4629 B14R1.758 COCSc1cc(ccc1C)C(=O)C 62a_100011934287_100000766300 [0,2,0,0,0,0|1,1,0]=4 4630 B14R1.758 COCSc1cc(ccc1C)C(=O)N 62a_100000186401_100000766300 [0,2,0,0,0,0|1,1,0]=4 4631 B14R1.758 COCSc1cc(ccc1C)C(=O)N 62a_100000766300_100000186401 [0,2,0,0,0,0|1,1,0]=4 4632 B14R1.758 COCSc1cc(ccc1F)C(=O)C 62a_100000239719_100000766300 [0,2,0,0,0,0|1,1,0]=4 4633 B14R1.758 COCSc1cc(ccc1F)C(=O)C 62a_100000766300_100000239719 [0,2,0,0,0,0|1,1,0]=4 4634 B14R1.758 COCSc1cc(ccc1F)C(=O)N 62a_100000766300_100011202321 [0,2,0,0,0,0|1,1,0]=4 4635 B14R1.758 COCSc1cc(ccc1F)C(=O)N 62a_100011202321_100000766300 [0,2,0,0,0,0|1,1,0]=4 4636 B14R1.758 COCSc1cc(ccc1N)C(=O)C 62a_100012029215_100000766300 [0,2,0,0,0,0|1,1,0]=4 4637 B14R1.758 COCSc1cc(ccc1O)C(=O)C 62a_100011772453_100000766300 [0,2,0,0,0,0|0,1,0]=3 4638 B14R1.758 CSCNc1cc(ccc1C)C(=O)N 34a_100000188646_100011218213 [0,2,0,0,0,0|2,0,0]=4 4639 B14R1.758 CSCNc1cc(ccc1Cl)C(=O)N 34a_100000736751_100011218213 [0,2,0,0,0,0|2,0,0]=4 4640 B14R1.758 CSCNc1cc(ccc1F)C(=O)N 34a_100000740466_100011218213 [0,2,0,0,0,0|2,0,0]=4 4641 B14R1.758 CSCOc1cc(ccc1Br)C(=O)N 34a_100012344895_100011218213 [0,2,0,0,0,0|1,0,0]=3 4642 B14R1.758 CSCOc1cc(ccc1Br)[N+](=O)[O-] 34a_100000691124_100011218213 [0,2,0,0,0,0|2,0,0]=4 4643 B14R1.758 CSCOc1cc(ccc1C)C(=O)C 34a_100000084092_100011218213 [0,2,0,0,0,0|1,0,0]=3 4644 B14R1.758 CSCOc1cc(ccc1C)[N+](=O)[O-] 34a_100000740739_100011218213 [0,2,0,0,0,0|2,0,0]=4 4645 B14R1.758 CSCOc1cc(ccc1Cl)[N+](=O)[O-] 34a_100000188705_100011218213 [0,2,0,0,0,0|2,0,0]=4 4646 B14R1.758 CSCOc1cc(ccc1F)C(=O)C 34a_100000117923_100011218213 [0,2,0,0,0,0|1,0,0]=3 4647 B14R1.758 CSCOc1cc(ccc1F)[N+](=O)[O-] 34a_100011294461_100011218213 [0,2,0,0,0,0|2,0,0]=4 4648 B14R1.758 CSCOc1cc(ccc1I)[N+](=O)[O-] 34a_100000072739_100011218213 [0,2,0,0,0,0|2,0,0]=4 4649 B14R1.758 CSCOc1cc(ccc1N)C(=O)N 34a_100011850428_100011218213 [0,2,0,0,0,0|1,0,0]=3 4650 B14R1.758 CSCOc1cc(ccc1N)[N+](=O)[O-] 34a_100000210499_100011218213 [0,2,0,0,0,0|2,0,0]=4 4651 B14R1.758 CSCSc1cc(ccc1Br)C(=O)C 62a_100010146556_100011218213 [0,2,0,0,0,0|1,1,0]=4 4652 B14R1.758 CSCSc1cc(ccc1Br)C(=O)C 62a_100011218213_100010146556 [0,2,0,0,0,0|1,1,0]=4 4653 B14R1.758 CSCSc1cc(ccc1C)C(=O)C 62a_100011218213_100011934287 [0,2,0,0,0,0|1,1,0]=4 4654 B14R1.758 CSCSc1cc(ccc1C)C(=O)C 62a_100011934287_100011218213 [0,2,0,0,0,0|1,1,0]=4 4655 B14R1.758 CSCSc1cc(ccc1C)C(=O)N 62a_100000186401_100011218213 [0,2,0,0,0,0|1,1,0]=4 4656 B14R1.758 CSCSc1cc(ccc1C)C(=O)N 62a_100011218213_100000186401 [0,2,0,0,0,0|1,1,0]=4 4657 B14R1.758 CSCSc1cc(ccc1F)C(=O)C 62a_100000239719_100011218213 [0,2,0,0,0,0|1,1,0]=4 4658 B14R1.758 CSCSc1cc(ccc1F)C(=O)C 62a_100011218213_100000239719 [0,2,0,0,0,0|1,1,0]=4 4659 B14R1.758 CSCSc1cc(ccc1F)C(=O)N 62a_100011202321_100011218213 [0,2,0,0,0,0|1,1,0]=4 4660 B14R1.758 CSCSc1cc(ccc1F)C(=O)N 62a_100011218213_100011202321 [0,2,0,0,0,0|1,1,0]=4 4661 B14R1.758 CSCSc1cc(ccc1N)C(=O)C 62a_100012029215_100011218213 [0,2,0,0,0,0|1,1,0]=4 4662 B14R1.758 CSCSc1cc(ccc1O)C(=O)C 62a_100011772453_100011218213 [0,2,0,0,0,0|0,1,0]=3 4663 B14R1.758 Cc1ccc(cc1NCCF)C(=O)N 34a_100000188646_100011217306 [0,2,0,0,0,0|2,0,0]=4 4664 B14R1.758 Cc1ccc(cc1NCCF)C(=O)N 7a_100000188646_100011217306 [0,2,0,0,0,0|2,0,0]=4 4665 B14R1.758 Cc1ccc(cc1NCCO)C(=O)N 34a_100000188646_100000211926 [0,2,0,0,0,0|2,0,0]=4 4666 B14R1.758 Cc1ccc(cc1NCCO)C(=O)N 7a_100000188646_100000211926 [0,2,0,0,0,0|2,0,0]=4 4667 B14R1.758 Cc1ccc(cc1OCCF)[N+](=O)[O-] 34a_100000740739_100011217306 [0,2,0,0,0,0|2,0,0]=4 4668 B14R1.758 Cc1ccc(cc1OCCF)[N+](=O)[O-] 7a_100000740739_100011217306 [0,2,0,0,0,0|2,0,0]=4 4669 B14R1.758 Cc1ccc(cc1OCCO)[N+](=O)[O-] 34a_100000740739_100000211926 [0,2,0,0,0,0|2,0,0]=4 4670 B14R1.758 Cc1ccc(cc1OCCO)[N+](=O)[O-] 7a_100000740739_100000211926 [0,2,0,0,0,0|2,0,0]=4 4671 B14R1.758 Cc1ccc(cc1SCCF)C(=O)N 62a_100000186401_100011217306 [0,2,0,0,0,0|1,1,0]=4 4672 B14R1.758 Cc1ccc(cc1SCCF)C(=O)N 62a_100011217306_100000186401 [0,2,0,0,0,0|1,1,0]=4 4673 B14R1.758 Cc1ccc(cc1SCCO)C(=O)N 62a_100000186401_100000211926 [0,2,0,0,0,0|1,1,0]=4 4674 B14R1.758 Cc1ccc(cc1SCCO)C(=O)N 62a_100000211926_100000186401 [0,2,0,0,0,0|1,1,0]=4 4675 B14R1.758 N#CCOc1cc(ccc1Br)C(=O)N 7a_100012344895_100011215382 [0,2,0,0,0,0|1,0,1]=4 4676 B14R1.758 N#CCOc1cc(ccc1N)C(=O)N 7a_100011850428_100011215382 [0,2,0,0,0,0|1,0,1]=4 4677 B14R1.758 NC(=O)c1ccc(c(c1)NCCF)Cl 34a_100000736751_100011217306 [0,2,0,0,0,0|2,0,0]=4 4678 B14R1.758 NC(=O)c1ccc(c(c1)NCCF)F 34a_100000740466_100011217306 [0,2,0,0,0,0|2,0,0]=4 4679 B14R1.758 NC(=O)c1ccc(c(c1)NCCO)Cl 34a_100000736751_100000211926 [0,2,0,0,0,0|2,0,0]=4 4680 B14R1.758 NC(=O)c1ccc(c(c1)NCCO)F 34a_100000740466_100000211926 [0,2,0,0,0,0|2,0,0]=4 4681 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)Br 34a_100012344895_200009817547 [0,2,0,0,0,0|1,0,1]=4 4682 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)Br 7a_100012344895_200015260668 [0,2,0,0,0,0|1,0,1]=4 4683 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)N 34a_100011850428_200009817547 [0,2,0,0,0,0|1,0,1]=4 4684 B14R1.758 NC(=O)c1ccc(c(c1)OCC=O)N 7a_100011850428_200015260668 [0,2,0,0,0,0|1,0,1]=4 4685 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)Br 34a_100012344895_100011217306 [0,2,0,0,0,0|1,0,0]=3 4686 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)Br 7a_100012344895_100011217306 [0,2,0,0,0,0|1,0,0]=3 4687 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)N 34a_100011850428_100011217306 [0,2,0,0,0,0|1,0,0]=3 4688 B14R1.758 NC(=O)c1ccc(c(c1)OCCF)N 7a_100011850428_100011217306 [0,2,0,0,0,0|1,0,0]=3 4689 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)Br 34a_100012344895_100000211926 [0,2,0,0,0,0|1,0,0]=3 4690 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)Br 7a_100012344895_100000211926 [0,2,0,0,0,0|1,0,0]=3 4691 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)N 34a_100011850428_100000211926 [0,2,0,0,0,0|1,0,0]=3 4692 B14R1.758 NC(=O)c1ccc(c(c1)OCCO)N 7a_100011850428_100000211926 [0,2,0,0,0,0|1,0,0]=3 4693 B14R1.758 NC(=O)c1ccc(c(c1)SCCF)F 62a_100011202321_100011217306 [0,2,0,0,0,0|1,1,0]=4 4694 B14R1.758 NC(=O)c1ccc(c(c1)SCCF)F 62a_100011217306_100011202321 [0,2,0,0,0,0|1,1,0]=4 4695 B14R1.758 NC(=O)c1ccc(c(c1)SCCO)F 62a_100000211926_100011202321 [0,2,0,0,0,0|1,1,0]=4 4696 B14R1.758 NC(=O)c1ccc(c(c1)SCCO)F 62a_100011202321_100000211926 [0,2,0,0,0,0|1,1,0]=4 4697 B14R1.758 Nc1ccc(cc1OCCF)[N+](=O)[O-] 34a_100000210499_100011217306 [0,2,0,0,0,0|2,0,0]=4 4698 B14R1.758 Nc1ccc(cc1OCCF)[N+](=O)[O-] 7a_100000210499_100011217306 [0,2,0,0,0,0|2,0,0]=4 4699 B14R1.758 Nc1ccc(cc1OCCO)[N+](=O)[O-] 34a_100000210499_100000211926 [0,2,0,0,0,0|2,0,0]=4 4700 B14R1.758 Nc1ccc(cc1OCCO)[N+](=O)[O-] 7a_100000210499_100000211926 [0,2,0,0,0,0|2,0,0]=4 4701 B14R1.758 O=[N+]([O-])c1ccc(c(c1)NCCF)O 7a_100000181223_100011217306 [0,2,0,0,0,0|2,0,0]=4 4702 B14R1.758 O=[N+]([O-])c1ccc(c(c1)NCCO)O 7a_100000181223_100000211926 [0,2,0,0,0,0|2,0,0]=4 4703 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)Br 34a_100000691124_100011217306 [0,2,0,0,0,0|2,0,0]=4 4704 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)Br 7a_100000691124_100011217306 [0,2,0,0,0,0|2,0,0]=4 4705 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)Cl 34a_100000188705_100011217306 [0,2,0,0,0,0|2,0,0]=4 4706 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)Cl 7a_100000188705_100011217306 [0,2,0,0,0,0|2,0,0]=4 4707 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)F 34a_100011294461_100011217306 [0,2,0,0,0,0|2,0,0]=4 4708 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)F 7a_100011294461_100011217306 [0,2,0,0,0,0|2,0,0]=4 4709 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)I 34a_100000072739_100011217306 [0,2,0,0,0,0|2,0,0]=4 4710 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCF)I 7a_100000072739_100011217306 [0,2,0,0,0,0|2,0,0]=4 4711 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)Br 34a_100000691124_100000211926 [0,2,0,0,0,0|2,0,0]=4 4712 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)Br 7a_100000691124_100000211926 [0,2,0,0,0,0|2,0,0]=4 4713 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)Cl 34a_100000188705_100000211926 [0,2,0,0,0,0|2,0,0]=4 4714 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)Cl 7a_100000188705_100000211926 [0,2,0,0,0,0|2,0,0]=4 4715 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)F 34a_100011294461_100000211926 [0,2,0,0,0,0|2,0,0]=4 4716 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)F 7a_100011294461_100000211926 [0,2,0,0,0,0|2,0,0]=4 4717 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)I 34a_100000072739_100000211926 [0,2,0,0,0,0|2,0,0]=4 4718 B14R1.758 O=[N+]([O-])c1ccc(c(c1)OCCO)I 7a_100000072739_100000211926 [0,2,0,0,0,0|2,0,0]=4 4719 B14R1.3329 CCNc1cc(c(cc1F)F)C(=O)N 27a_100015525214_100015235948 [0,2,0,0,0,0|2,0,0]=4 4720 B14R1.3329 CCNc1cc(c(cc1O)F)[N+](=O)[O-] 7a_200015898590_100000210202 [0,2,0,0,0,0|2,0,0]=4 4721 B14R1.3329 CCOc1cc(c(cc1Br)C)[N+](=O)[O-] 7a_100013414156_100000210202 [0,2,0,0,0,0|2,0,0]=4 4722 B14R1.3329 CCOc1cc(c(cc1Br)Cl)[N+](=O)[O-] 7a_100020682783_100000210202 [0,2,0,0,0,0|2,0,0]=4 4723 B14R1.3329 CCOc1cc(c(cc1Br)F)[N+](=O)[O-] 34a_100009816974_100000210202 [0,2,0,0,0,0|2,0,0]=4 4724 B14R1.3329 CCOc1cc(c(cc1Br)F)[N+](=O)[O-] 7a_100009816974_100000210202 [0,2,0,0,0,0|2,0,0]=4 4725 B14R1.3329 CCOc1cc(c(cc1C)F)[N+](=O)[O-] 34a_100000086363_100000210202 [0,2,0,0,0,0|2,0,0]=4 4726 B14R1.3329 CCOc1cc(c(cc1C)F)[N+](=O)[O-] 7a_100000086363_100000210202 [0,2,0,0,0,0|2,0,0]=4 4727 B14R1.3329 CCOc1cc(c(cc1Cl)Cl)[N+](=O)[O-] 7a_100000038071_100000210202 [0,2,0,0,0,0|2,0,0]=4 4728 B14R1.3329 CCOc1cc(c(cc1Cl)F)[N+](=O)[O-] 34a_100000042157_100000210202 [0,2,0,0,0,0|2,0,0]=4 4729 B14R1.3329 CCOc1cc(c(cc1Cl)F)[N+](=O)[O-] 7a_100000042157_100000210202 [0,2,0,0,0,0|2,0,0]=4 4730 B14R1.3329 CCOc1cc(c(cc1F)Br)[N+](=O)[O-] 34a_100010235072_100000210202 [0,2,0,0,0,0|2,0,0]=4 4731 B14R1.3329 CCOc1cc(c(cc1F)Br)[N+](=O)[O-] 7a_100010235072_100000210202 [0,2,0,0,0,0|2,0,0]=4 4732 B14R1.3329 CCOc1cc(c(cc1F)C)[N+](=O)[O-] 34a_100010732485_100000210202 [0,2,0,0,0,0|2,0,0]=4 4733 B14R1.3329 CCOc1cc(c(cc1F)C)[N+](=O)[O-] 7a_100010732485_100000210202 [0,2,0,0,0,0|2,0,0]=4 4734 B14R1.3329 CCOc1cc(c(cc1F)F)[N+](=O)[O-] 34a_100011934972_100000210202 [0,2,0,0,0,0|2,0,0]=4 4735 B14R1.3329 CCOc1cc(c(cc1F)F)[N+](=O)[O-] 7a_100011934972_100000210202 [0,2,0,0,0,0|2,0,0]=4 4736 B14R1.3329 CCOc1cc(c(cc1N)Cl)[N+](=O)[O-] 7a_100000211395_100000210202 [0,2,0,0,0,0|2,0,0]=4 4737 B14R1.3329 CCSc1cc(c(cc1C)O)C(=O)C 62a_200010233951_100000210202 [0,2,0,0,0,0|1,1,0]=4 4738 B14R1.3329 CCSc1cc(c(cc1F)F)C(=O)C 62a_100009817148_100000210202 [0,2,0,0,0,0|1,1,0]=4 4739 B14R1.3329 CCSc1cc(c(cc1F)F)C(=O)N 62a_100000210202_100015235948 [0,2,0,0,0,0|1,1,0]=4 4740 B14R1.3329 CCSc1cc(c(cc1F)F)C(=O)N 62a_100015235948_100000210202 [0,2,0,0,0,0|1,1,0]=4 4741 B14R1.3329 CCSc1cc(c(cc1F)N)C(=O)N 62a_100015444839_100000210202 [0,2,0,0,0,0|1,1,0]=4 4742 B14R1.3329 CCSc1cc(c(cc1F)O)C(=O)C 62a_100000691652_100000210202 [0,2,0,0,0,0|1,1,0]=4 4743 B14R1.5293 C=C(C)c1cc(c(c(c1)OCC)F)F 271570a_100000694244_200012359421 [0,2,0,0,0,0|2,0,0]=4 4744 B14R1.5293 CCNc1cc(cc(c1O)Cl)[N+](=O)[O-] 7a_100000029776_100000210202 [0,2,0,0,0,0|2,0,0]=4 4745 B14R1.5293 CCOc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 34a_200015510736_100000210202 [0,2,0,0,0,0|2,0,0]=4 4746 B14R1.5293 CCOc1cc(cc(c1Cl)Cl)[N+](=O)[O-] 7a_200015510736_100000210202 [0,2,0,0,0,0|2,0,0]=4 4747 B14R1.5293 CCOc1cc(cc(c1F)F)[N+](=O)[O-] 34a_200016991574_100000210202 [0,2,0,0,0,0|2,0,0]=4 4748 B14R1.5293 CCOc1cc(cc(c1F)F)[N+](=O)[O-] 7a_200016991574_100000210202 [0,2,0,0,0,0|2,0,0]=4 4749 B14R1.5293 CCOc1cc(cc(c1N)Br)[N+](=O)[O-] 7a_100010128237_100000210202 [0,2,0,0,0,0|2,0,0]=4 4750 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)C 1458a_100000010658_200000210301 [0,2,0,0,0,0|0,0,0]=2 4751 B14R1.5293 CCOc1cc(cc(c1O)Cl)C(=O)[13CH3] 1458a_100000010658_200025704644 [0,2,0,0,0,0|0,0,0]=2 4752 B14R1.5389 CCOc1c(ccc(c1C)[N+](=O)[O-])C 34a_100000737156_100000210202 [0,2,0,0,0,0|2,0,0]=4 4753 B14R1.5389 CCOc1c(ccc(c1C)[N+](=O)[O-])C 7a_100000737156_100000210202 [0,2,0,0,0,0|2,0,0]=4 4754 B14R1.5389 CCOc1c(ccc(c1Cl)[N+](=O)[O-])C 34a_100000117122_100000210202 [0,2,0,0,0,0|2,0,0]=4 4755 B14R1.5389 CCOc1c(ccc(c1Cl)[N+](=O)[O-])C 7a_100000117122_100000210202 [0,2,0,0,0,0|2,0,0]=4 4756 B14R1.5389 CCOc1c(ccc(c1F)C(=O)C)Cl 1458a_100010116260_200000210301 [0,2,0,0,0,0|1,0,0]=3 4757 B14R1.5389 CCOc1c(ccc(c1F)C(=O)C)F 1458a_100000061585_200000210301 [0,2,0,0,0,0|1,0,0]=3 4758 B14R1.5389 CCOc1c(ccc(c1F)C(=O)[13CH3])Cl 1458a_100010116260_200025704644 [0,2,0,0,0,0|1,0,0]=3 4759 B14R1.5389 CCOc1c(ccc(c1F)C(=O)[13CH3])F 1458a_100000061585_200025704644 [0,2,0,0,0,0|1,0,0]=3 4760 B14R1.5389 CCOc1c(ccc(c1F)[N+](=O)[O-])F 34a_200015285528_100000210202 [0,2,0,0,0,0|2,0,0]=4 4761 B14R1.5389 CCOc1c(ccc(c1F)[N+](=O)[O-])F 7a_200015285528_100000210202 [0,2,0,0,0,0|2,0,0]=4 4762 B14R1.5389 CCSc1c(ccc(c1F)C(=O)C)F 62a_100000210202_100010179980 [0,2,0,0,0,0|1,1,0]=4 4763 B14R1.5389 CCSc1c(ccc(c1F)C(=O)C)F 62a_100010179980_100000210202 [0,2,0,0,0,0|1,1,0]=4 4764 B14R1.759 C#CCSc1cc(ccc1OC)C=O 62a_100000038162_100000173361 [0,2,0,0,0,0|0,1,1]=4 4765 B14R1.759 C=CCSc1cc(ccc1OC)C=O 62a_100000173361_100000210623 [0,2,0,0,0,0|0,1,1]=4 4766 B14R1.759 C=CCSc1cc(ccc1OC)C=O 62a_100000210623_100000173361 [0,2,0,0,0,0|0,1,1]=4 4767 B14R1.759 C=Cc1ccc(c(c1)CNCC)OC 271570a_100011290941_100015182949 [0,2,0,0,0,0|2,0,0]=4 4768 B14R1.759 C=Cc1ccc(c(c1)OCC#N)OC 271570a_100011290941_200010203062 [0,2,0,0,0,0|1,0,1]=4 4769 B14R1.759 C=Cc1ccc(c(c1)OCCO)C#N 271570a_100011290941_200013764850 [0,2,0,0,0,0|2,0,0]=4 4770 B14R1.759 C=Cc1ccc(c(c1)OCOC)C=O 271570a_100011290941_100022065038 [0,2,0,0,0,0|1,0,1]=4 4771 B14R1.759 CCCCc1cc(ccc1C#N)C=O 271570a_100020621405_100012355660 [0,2,0,0,0,0|2,0,0]=4 4772 B14R1.759 CCCCc1cc(ccc1C=O)C=O 271570a_100020621405_100015597013 [0,2,0,0,0,0|1,0,1]=4 4773 B14R1.759 CCCCc1cc(ccc1NC)C=O 271570a_100020621405_200010290468 [0,2,0,0,0,0|2,0,0]=4 4774 B14R1.759 CCCCc1cc(ccc1OC)C=O 271570a_100020621405_100000173361 [0,2,0,0,0,0|1,0,0]=3 4775 B14R1.759 CCCCc1cc(cnc1OC)C=O 271570a_100020621405_200010064893 [0,2,0,0,0,0|2,0,0]=4 4776 B14R1.759 CCCCc1cc(ncc1OC)C=O 271570a_100020621405_100010893078 [0,2,0,0,0,0|2,0,0]=4 4777 B14R1.759 CCCCc1nc(ccc1OC)C=O 271570a_100020621405_100010174741 [0,2,0,0,0,0|2,0,0]=4 4778 B14R1.759 CCCOc1cc(ccc1CO)CO 34a_200010669990_100000210303 [0,2,0,0,0,0|0,0,2]=4 4779 B14R1.759 CCCOc1cc(ccc1OC)C#N 34a_100000188611_100000210303 [0,2,0,0,0,0|1,0,1]=4 4780 B14R1.759 CCCOc1cc(ccc1OC)C#N 7a_100000188611_100000210303 [0,2,0,0,0,0|1,0,1]=4 4781 B14R1.759 CCCOc1cc(ccc1OC)CC 34a_100009844796_100000210303 [0,2,0,0,0,0|1,0,1]=4 4782 B14R1.759 CCCOc1cc(ccc1OC)CC 7a_100009844796_100000210303 [0,2,0,0,0,0|1,0,1]=4 4783 B14R1.759 CCCOc1cc(ccc1OC)CN 34a_100000740000_100000210303 [0,2,0,0,0,0|1,0,1]=4 4784 B14R1.759 CCCOc1cc(ccc1OC)CO 34a_100011215239_100000210303 [0,2,0,0,0,0|0,0,2]=4 4785 B14R1.759 CCCOc1cc(ccc1OC)OC 34a_100000074795_100000210303 [0,2,0,0,0,0|2,0,0]=4 4786 B14R1.759 CCCSc1cc(ccc1C#N)C=O 62a_100000210303_100012355660 [0,2,0,0,0,0|1,1,0]=4 4787 B14R1.759 CCCSc1cc(ccc1C=O)C=O 62a_100000210303_100015597013 [0,2,0,0,0,0|0,1,1]=4 4788 B14R1.759 CCCSc1cc(ccc1C=O)C=O 62a_100015597013_100000210303 [0,2,0,0,0,0|0,1,1]=4 4789 B14R1.759 CCCSc1cc(ccc1NC)C=O 62a_100000210303_200010290468 [0,2,0,0,0,0|1,1,0]=4 4790 B14R1.759 CCCSc1cc(ccc1NC)C=O 62a_200010290468_100000210303 [0,2,0,0,0,0|1,1,0]=4 4791 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000173361_100000210303 [0,2,0,0,0,0|0,1,0]=3 4792 B14R1.759 CCCSc1cc(ccc1OC)C=O 62a_100000210303_100000173361 [0,2,0,0,0,0|0,1,0]=3 4793 B14R1.759 CCCSc1cc(cnc1OC)C=O 62a_100000210303_200010064893 [0,2,0,0,0,0|1,1,0]=4 4794 B14R1.759 CCCSc1cc(cnc1OC)C=O 62a_200010064893_100000210303 [0,2,0,0,0,0|1,1,0]=4 4795 B14R1.759 CCCSc1cc(ncc1OC)C=O 62a_100000210303_100010893078 [0,2,0,0,0,0|1,1,0]=4 4796 B14R1.759 CCCSc1cc(ncc1OC)C=O 62a_100010893078_100000210303 [0,2,0,0,0,0|1,1,0]=4 4797 B14R1.759 CCCSc1nc(ccc1OC)C=O 62a_100000210303_100010174741 [0,2,0,0,0,0|1,1,0]=4 4798 B14R1.759 CCCSc1nc(ccc1OC)C=O 62a_100010174741_100000210303 [0,2,0,0,0,0|1,1,0]=4 4799 B14R1.759 CCNCc1cc(ccc1OC)C=O 2230a_100015525214_100000028394 [0,2,0,0,0,0|1,0,0]=3 4800 B14R1.759 CCOCc1cc(ccc1OC)C=O 34a_100121572206_100000028394 [0,2,0,0,0,0|0,0,0]=2 4801 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100000212306_100000210202 [0,2,0,0,0,0|2,0,0]=4 4802 B14R1.759 CCOCc1cc(ccc1OC)OC 34a_100121572206_100011233847 [0,2,0,0,0,0|2,0,0]=4 4803 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000028394_100000210202 [0,2,0,0,0,0|0,1,0]=3 4804 B14R1.759 CCSCc1cc(ccc1OC)C=O 62a_100000210202_100000028394 [0,2,0,0,0,0|0,1,0]=3 4805 B14R1.759 CCc1ccc(c(c1)OCCF)OC 34a_100009844796_100011217306 [0,2,0,0,0,0|1,0,1]=4 4806 B14R1.759 CCc1ccc(c(c1)OCCF)OC 7a_100009844796_100011217306 [0,2,0,0,0,0|1,0,1]=4 4807 B14R1.759 CCc1ccc(c(c1)OCCO)OC 34a_100009844796_100000211926 [0,2,0,0,0,0|1,0,1]=4 4808 B14R1.759 CCc1ccc(c(c1)OCCO)OC 7a_100009844796_100000211926 [0,2,0,0,0,0|1,0,1]=4 4809 B14R1.759 CCc1ccc(c(c1)OCSC)OC 34a_100009844796_100011218213 [0,2,0,0,0,0|1,0,1]=4 4810 B14R1.759 CNc1ccc(cc1SCCF)C=O 62a_100011217306_200010290468 [0,2,0,0,0,0|1,1,0]=4 4811 B14R1.759 CNc1ccc(cc1SCCF)C=O 62a_200010290468_100011217306 [0,2,0,0,0,0|1,1,0]=4 4812 B14R1.759 CNc1ccc(cc1SCCO)C=O 62a_100000211926_200010290468 [0,2,0,0,0,0|1,1,0]=4 4813 B14R1.759 CNc1ccc(cc1SCCO)C=O 62a_200010290468_100000211926 [0,2,0,0,0,0|1,1,0]=4 4814 B14R1.759 CNc1ccc(cc1SCOC)C=O 62a_100000766300_200010290468 [0,2,0,0,0,0|1,1,0]=4 4815 B14R1.759 CNc1ccc(cc1SCOC)C=O 62a_200010290468_100000766300 [0,2,0,0,0,0|1,1,0]=4 4816 B14R1.759 CNc1ccc(cc1SCSC)C=O 62a_100011218213_200010290468 [0,2,0,0,0,0|1,1,0]=4 4817 B14R1.759 CNc1ccc(cc1SCSC)C=O 62a_200010290468_100011218213 [0,2,0,0,0,0|1,1,0]=4 4818 B14R1.759 COCSc1cc(ccc1C#N)C=O 62a_100000766300_100012355660 [0,2,0,0,0,0|1,1,0]=4 4819 B14R1.759 COCSc1cc(ccc1C=O)C=O 62a_100000766300_100015597013 [0,2,0,0,0,0|0,1,1]=4 4820 B14R1.759 COCSc1cc(ccc1C=O)C=O 62a_100015597013_100000766300 [0,2,0,0,0,0|0,1,1]=4 4821 B14R1.759 COCSc1cc(ccc1OC)C=O 62a_100000173361_100000766300 [0,2,0,0,0,0|0,1,0]=3 4822 B14R1.759 COCSc1cc(ccc1OC)C=O 62a_100000766300_100000173361 [0,2,0,0,0,0|0,1,0]=3 4823 B14R1.759 COCSc1cc(cnc1OC)C=O 62a_100000766300_200010064893 [0,2,0,0,0,0|1,1,0]=4 4824 B14R1.759 COCSc1cc(cnc1OC)C=O 62a_200010064893_100000766300 [0,2,0,0,0,0|1,1,0]=4 4825 B14R1.759 COCSc1cc(ncc1OC)C=O 62a_100000766300_100010893078 [0,2,0,0,0,0|1,1,0]=4 4826 B14R1.759 COCSc1cc(ncc1OC)C=O 62a_100010893078_100000766300 [0,2,0,0,0,0|1,1,0]=4 4827 B14R1.759 COCSc1nc(ccc1OC)C=O 62a_100000766300_100010174741 [0,2,0,0,0,0|1,1,0]=4 4828 B14R1.759 COCSc1nc(ccc1OC)C=O 62a_100010174741_100000766300 [0,2,0,0,0,0|1,1,0]=4 4829 B14R1.759 COc1ccc(c(c1)OCCF)OC 34a_100000074795_100011217306 [0,2,0,0,0,0|2,0,0]=4 4830 B14R1.759 COc1ccc(c(c1)OCCO)OC 34a_100000074795_100000211926 [0,2,0,0,0,0|2,0,0]=4 4831 B14R1.759 COc1ccc(c(c1)OCSC)OC 34a_100000074795_100011218213 [0,2,0,0,0,0|2,0,0]=4 4832 B14R1.759 COc1ccc(cc1CSCF)C=O 62a_100000028394_100015361967 [0,2,0,0,0,0|1,1,0]=4 4833 B14R1.759 COc1ccc(cc1CSCF)C=O 62a_100015361967_100000028394 [0,2,0,0,0,0|1,1,0]=4 4834 B14R1.759 COc1ccc(cc1OCCF)C#N 34a_100000188611_100011217306 [0,2,0,0,0,0|1,0,1]=4 4835 B14R1.759 COc1ccc(cc1OCCF)C#N 7a_100000188611_100011217306 [0,2,0,0,0,0|1,0,1]=4 4836 B14R1.759 COc1ccc(cc1OCCF)CN 34a_100000740000_100011217306 [0,2,0,0,0,0|1,0,1]=4 4837 B14R1.759 COc1ccc(cc1OCCF)CO 34a_100011215239_100011217306 [0,2,0,0,0,0|0,0,2]=4 4838 B14R1.759 COc1ccc(cc1OCCO)C#N 34a_100000188611_100000211926 [0,2,0,0,0,0|1,0,1]=4 4839 B14R1.759 COc1ccc(cc1OCCO)C#N 7a_100000188611_100000211926 [0,2,0,0,0,0|1,0,1]=4 4840 B14R1.759 COc1ccc(cc1OCCO)CN 34a_100000740000_100000211926 [0,2,0,0,0,0|1,0,1]=4 4841 B14R1.759 COc1ccc(cc1OCCO)CO 34a_100011215239_100000211926 [0,2,0,0,0,0|0,0,2]=4 4842 B14R1.759 COc1ccc(cc1OCSC)C#N 34a_100000188611_100011218213 [0,2,0,0,0,0|1,0,1]=4 4843 B14R1.759 COc1ccc(cc1OCSC)CN 34a_100000740000_100011218213 [0,2,0,0,0,0|1,0,1]=4 4844 B14R1.759 COc1ccc(cc1OCSC)CO 34a_100011215239_100011218213 [0,2,0,0,0,0|0,0,2]=4 4845 B14R1.759 COc1ccc(cc1SCC#N)C=O 62a_100000173361_100011215382 [0,2,0,0,0,0|0,1,1]=4 4846 B14R1.759 COc1ccc(cc1SCC#N)C=O 62a_100011215382_100000173361 [0,2,0,0,0,0|0,1,1]=4 4847 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_100000173361_200015260668 [0,2,0,0,0,0|0,1,1]=4 4848 B14R1.759 COc1ccc(cc1SCC=O)C=O 62a_200015260668_100000173361 [0,2,0,0,0,0|0,1,1]=4 4849 B14R1.759 COc1ccc(cc1SCCF)C=O 62a_100000173361_100011217306 [0,2,0,0,0,0|0,1,0]=3 4850 B14R1.759 COc1ccc(cc1SCCF)C=O 62a_100011217306_100000173361 [0,2,0,0,0,0|0,1,0]=3 4851 B14R1.759 COc1ccc(cc1SCCO)C=O 62a_100000173361_100000211926 [0,2,0,0,0,0|0,1,0]=3 4852 B14R1.759 COc1ccc(cc1SCCO)C=O 62a_100000211926_100000173361 [0,2,0,0,0,0|0,1,0]=3 4853 B14R1.759 COc1ccc(cc1SCSC)C=O 62a_100000173361_100011218213 [0,2,0,0,0,0|0,1,0]=3 4854 B14R1.759 COc1ccc(cc1SCSC)C=O 62a_100011218213_100000173361 [0,2,0,0,0,0|0,1,0]=3 4855 B14R1.759 COc1ccc(nc1SCCF)C=O 62a_100010174741_100011217306 [0,2,0,0,0,0|1,1,0]=4 4856 B14R1.759 COc1ccc(nc1SCCF)C=O 62a_100011217306_100010174741 [0,2,0,0,0,0|1,1,0]=4 4857 B14R1.759 COc1ccc(nc1SCCO)C=O 62a_100000211926_100010174741 [0,2,0,0,0,0|1,1,0]=4 4858 B14R1.759 COc1ccc(nc1SCCO)C=O 62a_100010174741_100000211926 [0,2,0,0,0,0|1,1,0]=4 4859 B14R1.759 COc1ccc(nc1SCSC)C=O 62a_100010174741_100011218213 [0,2,0,0,0,0|1,1,0]=4 4860 B14R1.759 COc1ccc(nc1SCSC)C=O 62a_100011218213_100010174741 [0,2,0,0,0,0|1,1,0]=4 4861 B14R1.759 COc1cnc(cc1SCCF)C=O 62a_100010893078_100011217306 [0,2,0,0,0,0|1,1,0]=4 4862 B14R1.759 COc1cnc(cc1SCCF)C=O 62a_100011217306_100010893078 [0,2,0,0,0,0|1,1,0]=4 4863 B14R1.759 COc1cnc(cc1SCCO)C=O 62a_100000211926_100010893078 [0,2,0,0,0,0|1,1,0]=4 4864 B14R1.759 COc1cnc(cc1SCCO)C=O 62a_100010893078_100000211926 [0,2,0,0,0,0|1,1,0]=4 4865 B14R1.759 COc1cnc(cc1SCSC)C=O 62a_100010893078_100011218213 [0,2,0,0,0,0|1,1,0]=4 4866 B14R1.759 COc1cnc(cc1SCSC)C=O 62a_100011218213_100010893078 [0,2,0,0,0,0|1,1,0]=4 4867 B14R1.759 COc1ncc(cc1SCCF)C=O 62a_100011217306_200010064893 [0,2,0,0,0,0|1,1,0]=4 4868 B14R1.759 COc1ncc(cc1SCCF)C=O 62a_200010064893_100011217306 [0,2,0,0,0,0|1,1,0]=4 4869 B14R1.759 COc1ncc(cc1SCCO)C=O 62a_100000211926_200010064893 [0,2,0,0,0,0|1,1,0]=4 4870 B14R1.759 COc1ncc(cc1SCCO)C=O 62a_200010064893_100000211926 [0,2,0,0,0,0|1,1,0]=4 4871 B14R1.759 COc1ncc(cc1SCSC)C=O 62a_100011218213_200010064893 [0,2,0,0,0,0|1,1,0]=4 4872 B14R1.759 COc1ncc(cc1SCSC)C=O 62a_200010064893_100011218213 [0,2,0,0,0,0|1,1,0]=4 4873 B14R1.759 CSCOc1cc(ccc1CO)CO 34a_200010669990_100011218213 [0,2,0,0,0,0|0,0,2]=4 4874 B14R1.759 CSCSc1cc(ccc1C#N)C=O 62a_100011218213_100012355660 [0,2,0,0,0,0|1,1,0]=4 4875 B14R1.759 CSCSc1cc(ccc1C=O)C=O 62a_100011218213_100015597013 [0,2,0,0,0,0|0,1,1]=4 4876 B14R1.759 CSCSc1cc(ccc1C=O)C=O 62a_100015597013_100011218213 [0,2,0,0,0,0|0,1,1]=4 4877 B14R1.759 N#Cc1ccc(cc1SCCF)C=O 62a_100011217306_100012355660 [0,2,0,0,0,0|1,1,0]=4 4878 B14R1.759 N#Cc1ccc(cc1SCCO)C=O 62a_100000211926_100012355660 [0,2,0,0,0,0|1,1,0]=4 4879 B14R1.759 O=Cc1ccc(c(c1)SCCF)C=O 62a_100011217306_100015597013 [0,2,0,0,0,0|0,1,1]=4 4880 B14R1.759 O=Cc1ccc(c(c1)SCCF)C=O 62a_100015597013_100011217306 [0,2,0,0,0,0|0,1,1]=4 4881 B14R1.759 O=Cc1ccc(c(c1)SCCO)C=O 62a_100000211926_100015597013 [0,2,0,0,0,0|0,1,1]=4 4882 B14R1.759 O=Cc1ccc(c(c1)SCCO)C=O 62a_100015597013_100000211926 [0,2,0,0,0,0|0,1,1]=4 4883 B14R1.759 OCCOc1cc(ccc1CO)CO 34a_200010669990_100000211926 [0,2,0,0,0,0|0,0,2]=4 4884 B14R1.759 OCc1ccc(c(c1)OCCF)CO 34a_200010669990_100011217306 [0,2,0,0,0,0|0,0,2]=4 4885 B14R1.5121 C=C(C)c1ccc(cc1OCC)C=O 271570a_100000694244_200010381951 [0,2,0,0,0,0|1,0,0]=3 4886 B14R1.5121 C=Cc1ccc(c(c1)OCC)B(O)O 271570a_100011290941_200010295860 [0,2,0,0,0,0|1,0,0]=3 4887 B14R1.5121 C=Cc1ccc(c(c1)OCC)C(=O)N 271570a_100011290941_200010071310 [0,2,0,0,0,0|1,0,1]=4 4888 B14R1.5121 CCOc1cc(ccc1B(O)O)SC 62a_200010295860_200000210301 [0,2,0,0,0,0|2,0,0]=4 4889 B14R1.5121 CCOc1cc(ccc1B(O)O)S[13CH3] 62a_200010295860_200025704644 [0,2,0,0,0,0|2,0,0]=4 4890 B14R1.5121 CCSc1cc(ccc1N(C)C)C=O 62a_100000210202_200011298039 [0,2,0,0,0,0|1,1,0]=4 4891 B14R1.5121 CCSc1cc(ccc1N(C)C)C=O 62a_200011298039_100000210202 [0,2,0,0,0,0|1,1,0]=4 4892 B14R1.5236 C=C=Cc1ccc(cc1OCC)C=O 271570a_100015277604_200010381951 [0,2,0,0,0,0|1,0,0]=3 4893 B14R1.5236 CC=Cc1cc(ccc1OCC)C=O 271570a_100016259895_100000173028 [0,2,0,0,0,0|1,0,1]=4 4894 B14R1.5236 CC=Cc1ccc(cc1OCC)C=O 271570a_100016259895_200010381951 [0,2,0,0,0,0|1,0,0]=3 4895 B14R1.5236 CCOc1cc(ccc1OCF)C#N 34a_100000181481_100015361967 [0,2,0,0,0,0|1,0,1]=4 4896 B14R1.5236 CCOc1cc(ccc1OCF)C#N 7a_100000181481_100015361967 [0,2,0,0,0,0|1,0,1]=4 4897 B14R1.5236 CCOc1cc(ccc1OCF)CN 34a_200000751567_100015361967 [0,2,0,0,0,0|1,0,1]=4 4898 B14R1.5236 CCOc1cc(ccc1OCF)CO 34a_200011232662_100015361967 [0,2,0,0,0,0|0,0,2]=4 4899 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_100000210202_200010381951 [0,2,0,0,0,0|0,1,0]=3 4900 B14R1.5236 CCOc1cc(ccc1SCC)C=O 62a_200010381951_100000210202 [0,2,0,0,0,0|0,1,0]=3 4901 B14R1.5236 CCOc1cc(ccc1SCF)C=O 62a_100015361967_200010381951 [0,2,0,0,0,0|0,1,0]=3 4902 B14R1.5236 CCOc1cc(ccc1SCF)C=O 62a_200010381951_100015361967 [0,2,0,0,0,0|0,1,0]=3 4903 B14R1.5236 CCOc1ccc(cc1OCC)C#N 34a_100000181481_100000210202 [0,2,0,0,0,0|1,0,1]=4 4904 B14R1.5236 CCOc1ccc(cc1OCC)C#N 7a_100000181481_100000210202 [0,2,0,0,0,0|1,0,1]=4 4905 B14R1.5236 CCOc1ccc(cc1OCC)CN 34a_200000751567_100000210202 [0,2,0,0,0,0|1,0,1]=4 4906 B14R1.5236 CCOc1ccc(cc1OCC)CO 34a_200011232662_100000210202 [0,2,0,0,0,0|0,0,2]=4 4907 B14R1.5236 CCOc1ccc(cc1OCC)NC 2230a_100000682499_200000210301 [0,2,0,0,0,0|2,0,0]=4 4908 B14R1.5236 CCOc1ccc(cc1OCC)NC 34a_100000682499_200000210301 [0,2,0,0,0,0|2,0,0]=4 4909 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 2230a_100000682499_200025704644 [0,2,0,0,0,0|2,0,0]=4 4910 B14R1.5236 CCOc1ccc(cc1OCC)N[13CH3] 34a_100000682499_200025704644 [0,2,0,0,0,0|2,0,0]=4 4911 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000173028_100000210202 [0,2,0,0,0,0|0,1,0]=3 4912 B14R1.5236 CCOc1ccc(cc1SCC)C=O 62a_100000210202_100000173028 [0,2,0,0,0,0|0,1,0]=3 4913 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100000173028_100015361967 [0,2,0,0,0,0|1,1,0]=4 4914 B14R1.5236 CCOc1ccc(cc1SCF)C=O 62a_100015361967_100000173028 [0,2,0,0,0,0|1,1,0]=4 4915 B14R1.5317 CCOc1cc(cc(c1OC)Br)C#N 7a_100000684219_200000210301 [0,2,0,0,0,0|1,0,1]=4 4916 B14R1.5317 CCOc1cc(cc(c1OC)Br)OC 34a_200020900881_100000210202 [0,2,0,0,0,0|2,0,0]=4 4917 B14R1.5317 CCOc1cc(cc(c1OC)O)C#N 271570a_203496583355_100000689698 [0,2,0,0,0,0|1,0,1]=4 4918 B14R1.5317 CCOc1cc(cc(c1OC)O)C=O 271570a_203496583355_100000184347 [0,2,0,0,0,0|0,0,0]=2 4919 B14R1.5317 CCOc1cc(cc(c1O[13CH3])Br)C#N 7a_100000684219_200025704644 [0,2,0,0,0,0|1,0,1]=4 4920 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)C#N 271570a_100015277604_100013120067 [0,2,0,0,0,0|2,0,0]=4 4921 B14R1.6787 C=C=Cc1ccc(c(c1)OCC)OC 271570a_100015277604_200010219349 [0,2,0,0,0,0|1,0,0]=3 4922 B14R1.6787 CC=Cc1ccc(c(c1)OCC)C#N 271570a_100016259895_100013120067 [0,2,0,0,0,0|2,0,0]=4 4923 B14R1.6787 CC=Cc1ccc(c(c1)OCC)OC 271570a_100016259895_200010219349 [0,2,0,0,0,0|1,0,0]=3 4924 B14R1.6787 CCOc1cc(ccc1OC)CC#N 7a_200000061240_200000210301 [0,2,0,0,0,0|1,0,1]=4 4925 B14R1.6787 CCOc1cc(ccc1OC)CCN 34a_100011207234_100000210202 [0,2,0,0,0,0|1,0,1]=4 4926 B14R1.6787 CCOc1cc(ccc1OC)CNC 207a_100102657272_100000170514 [0,2,0,0,0,0|1,0,1]=4 4927 B14R1.6787 CCOc1cc(ccc1OC)CNC 2230a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 4928 B14R1.6787 CCOc1cc(ccc1OC)CNC 270004a_106832991635_100000170514 [0,2,0,0,0,0|1,0,1]=4 4929 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000188468_100000210202 [0,2,0,0,0,0|1,0,1]=4 4930 B14R1.6787 CCOc1cc(ccc1OC)CNC 34a_100000755831_200000210301 [0,2,0,0,0,0|1,0,1]=4 4931 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 2230a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 4932 B14R1.6787 CCOc1cc(ccc1OC)CN[13CH3] 34a_100000755831_200025704644 [0,2,0,0,0,0|1,0,1]=4 4933 B14R1.6787 CCOc1cc(ccc1O[13CH3])CC#N 7a_200000061240_200025704644 [0,2,0,0,0,0|1,0,1]=4 4934 B14R1.9401 CCSc1c(ccc(c1O)C=O)OC 62a_100000210202_100016072024 [0,2,0,0,0,0|0,1,0]=3 4935 B14R1.9401 COc1ccc(c(c1SCF)O)C=O 62a_100015361967_100016072024 [0,2,0,0,0,0|1,1,0]=4 4936 B14R1.15069 CC=Cc1cc(c(cc1OC)F)C=O 271570a_100016259895_100010244998 [0,2,0,0,0,0|1,0,1]=4 4937 B14R1.15069 CC=Cc1cc(c(cc1OC)O)C=O 271570a_100016259895_100009998278 [0,2,0,0,0,0|1,0,1]=4 4938 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 34a_100009814618_200000210301 [0,2,0,0,0,0|1,0,1]=4 4939 B14R1.15069 CCOc1cc(c(cc1OC)Br)C#N 7a_100009814618_200000210301 [0,2,0,0,0,0|1,0,1]=4 4940 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 34a_100009816818_100000210202 [0,2,0,0,0,0|2,0,0]=4 4941 B14R1.15069 CCOc1cc(c(cc1OC)Br)OC 7a_100009816818_100000210202 [0,2,0,0,0,0|2,0,0]=4 4942 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 34a_200010661296_100000210202 [0,2,0,0,0,0|1,0,1]=4 4943 B14R1.15069 CCOc1cc(c(cc1OC)C)CC 7a_200010661296_100000210202 [0,2,0,0,0,0|1,0,1]=4 4944 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 34a_100009814618_200025704644 [0,2,0,0,0,0|1,0,1]=4 4945 B14R1.15069 CCOc1cc(c(cc1O[13CH3])Br)C#N 7a_100009814618_200025704644 [0,2,0,0,0,0|1,0,1]=4 4946 B14R1.15069 CCSc1cc(c(cc1OC)F)C=O 62a_100000210202_100010244998 [0,2,0,0,0,0|0,1,0]=3 4947 B14R1.15069 CCSc1cc(c(cc1OC)F)C=O 62a_100010244998_100000210202 [0,2,0,0,0,0|0,1,0]=3 4948 B14R1.15069 CCSc1cc(c(cc1OC)O)C=O 62a_100000210202_100009998278 [0,2,0,0,0,0|0,1,0]=3 4949 B14R1.15069 COc1cc(c(cc1SCF)C=O)F 62a_100010244998_100015361967 [0,2,0,0,0,0|1,1,0]=4 4950 B14R1.15069 COc1cc(c(cc1SCF)C=O)F 62a_100015361967_100010244998 [0,2,0,0,0,0|1,1,0]=4 4951 B14R1.15069 COc1cc(c(cc1SCF)C=O)O 62a_100015361967_100009998278 [0,2,0,0,0,0|1,1,0]=4 4952 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100010141077_100015361967 [0,2,0,0,0,0|1,1,0]=4 4953 B14R1.439 CC(=O)Cc1ccc(c(c1)SCF)O 62a_100015361967_100010141077 [0,2,0,0,0,0|1,1,0]=4 4954 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 34a_100011935283_100015361967 [0,2,0,0,0,0|2,0,0]=4 4955 B14R1.439 CC(=O)Nc1ccc(c(c1)OCF)Cl 7a_100011935283_100015361967 [0,2,0,0,0,0|2,0,0]=4 4956 B14R1.439 CC=Cc1cc(ccc1O)CC(=O)C 271570a_100016259895_100010141077 [0,2,0,0,0,0|1,0,1]=4 4957 B14R1.439 CCNc1cc(ccc1C)NC(=O)C 34a_100000739390_100000210202 [0,2,0,0,0,0|2,0,0]=4 4958 B14R1.439 CCNc1cc(ccc1C)NC(=O)C 7a_100000739390_100000210202 [0,2,0,0,0,0|2,0,0]=4 4959 B14R1.439 CCNc1cc(ccc1Cl)NC(=O)C 34a_100000742996_100000210202 [0,2,0,0,0,0|2,0,0]=4 4960 B14R1.439 CCNc1cc(ccc1F)NC(=O)C 34a_106454645589_100000210202 [0,2,0,0,0,0|2,0,0]=4 4961 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 11a_200016990551_100015343762 [0,2,0,0,0,0|1,0,0]=3 4962 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 1626a_200016990551_100015343762 [0,2,0,0,0,0|1,0,0]=3 4963 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 22a_200016990551_100000070787 [0,2,0,0,0,0|1,0,0]=3 4964 B14R1.439 CCOc1cc(ccc1Br)NC(=O)C 527a_200016990551_100103153847 [0,2,0,0,0,0|1,0,0]=3 4965 B14R1.439 CCOc1cc(ccc1C)C=C(C)C 271570a_100102525489_100012361169 [0,2,0,0,0,0|2,0,0]=4 4966 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 11a_100011964961_100015343762 [0,2,0,0,0,0|1,0,0]=3 4967 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 1626a_100011964961_100015343762 [0,2,0,0,0,0|1,0,0]=3 4968 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 22a_100011964961_100000070787 [0,2,0,0,0,0|1,0,0]=3 4969 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 34a_100011935283_100000210202 [0,2,0,0,0,0|1,0,0]=3 4970 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 527a_100011964961_100103153847 [0,2,0,0,0,0|1,0,0]=3 4971 B14R1.439 CCOc1cc(ccc1Cl)NC(=O)C 7a_100011935283_100000210202 [0,2,0,0,0,0|1,0,0]=3 4972 B14R1.439 CCOc1cc(ccc1F)C=C(C)C 271570a_100102525489_200012344967 [0,2,0,0,0,0|2,0,0]=4 4973 B14R1.439 CCOc1cc(ccc1N)C=C(C)C 271570a_100102525489_100000688918 [0,2,0,0,0,0|2,0,0]=4 4974 B14R1.439 CCOc1cc(ccc1O)CC(=O)C 1458a_200000048972_200000210301 [0,2,0,0,0,0|0,0,0]=2 4975 B14R1.439 CCOc1cc(ccc1O)CC(=O)[13CH3] 1458a_200000048972_200025704644 [0,2,0,0,0,0|0,0,0]=2 4976 B14R1.439 CCSc1cc(ccc1C)NC(=O)C 62a_100000210202_100011221169 [0,2,0,0,0,0|1,1,0]=4 4977 B14R1.439 CCSc1cc(ccc1C)OC(=O)C 62a_100000210202_200025702335 [0,2,0,0,0,0|1,1,0]=4 4978 B14R1.439 CCSc1cc(ccc1F)NC(=O)C 62a_100000210202_100012348134 [0,2,0,0,0,0|1,1,0]=4 4979 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100000210202_100010141077 [0,2,0,0,0,0|0,1,0]=3 4980 B14R1.439 CCSc1cc(ccc1O)CC(=O)C 62a_100010141077_100000210202 [0,2,0,0,0,0|0,1,0]=3 4981 B14R1.761 C=C=Cc1ccc(c(c1)CNCC)O 271570a_100015277604_100000765307 [0,2,0,0,0,0|2,0,0]=4 4982 B14R1.761 CC=Cc1ccc(c(c1)CNCC)O 271570a_100016259895_100000765307 [0,2,0,0,0,0|2,0,0]=4 4983 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 2230a_200016990551_100000210623 [0,2,0,0,0,0|2,0,0]=4 4984 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 34a_200016990551_100015514636 [0,2,0,0,0,0|2,0,0]=4 4985 B14R1.791 C=CCNc1ccc(c(c1)OCC)Br 7a_200016990551_100015514636 [0,2,0,0,0,0|2,0,0]=4 4986 B14R1.791 C=CCNc1ccc(c(c1)OCC)Cl 2230a_100011964961_100000210623 [0,2,0,0,0,0|2,0,0]=4 4987 B14R1.791 C=CCNc1ccc(c(c1)OCC)Cl 34a_100011964961_100015514636 [0,2,0,0,0,0|2,0,0]=4 4988 B14R1.791 C=CCSc1ccc(c(c1)OCC)C 62a_100000210623_100012361169 [0,2,0,0,0,0|2,0,0]=4 4989 B14R1.791 C=CCSc1ccc(c(c1)OCC)C 62a_100012361169_100000210623 [0,2,0,0,0,0|2,0,0]=4 4990 B14R1.791 C=CCSc1ccc(c(c1)OCC)F 62a_100000210623_200012344967 [0,2,0,0,0,0|2,0,0]=4 4991 B14R1.791 C=CCSc1ccc(c(c1)OCC)F 62a_200012344967_100000210623 [0,2,0,0,0,0|2,0,0]=4 4992 B14R1.791 C=CCSc1ccc(c(c1)OCC)N 62a_100000688918_100000210623 [0,2,0,0,0,0|2,0,0]=4 4993 B14R1.791 CCNCc1ccc(c(c1)OCC)O 34a_200000751567_100000210202 [0,2,0,0,0,0|1,0,1]=4 4994 B14R1.791 CCNc1cc(ccc1C)OCC=O 34a_100000211784_200009817547 [0,2,0,0,0,0|2,0,0]=4 4995 B14R1.791 CCNc1cc(ccc1C)OCC=O 7a_100000211784_200015260668 [0,2,0,0,0,0|2,0,0]=4 4996 B14R1.791 CCNc1cc(ccc1N)SCC=O 62a_100000696630_200015260668 [0,2,0,0,0,0|2,0,0]=4 4997 B14R1.791 CCNc1cc(ccc1N)SCC=O 62a_200015260668_100000696630 [0,2,0,0,0,0|2,0,0]=4 4998 B14R1.791 CCOc1cc(ccc1Br)NCC=O 2230a_200016990551_200015260668 [0,2,0,0,0,0|1,0,0]=3 4999 B14R1.791 CCOc1cc(ccc1Br)NCC=O 34a_200016990551_200009817547 [0,2,0,0,0,0|1,0,0]=3 5000 B14R1.791 CCOc1cc(ccc1Br)NCC=O 7a_200016990551_200015260668 [0,2,0,0,0,0|1,0,0]=3 5001 B14R1.791 CCOc1cc(ccc1C)SCC=O 62a_100012361169_200015260668 [0,2,0,0,0,0|1,0,0]=3 5002 B14R1.791 CCOc1cc(ccc1C)SCC=O 62a_200015260668_100012361169 [0,2,0,0,0,0|1,0,0]=3 5003 B14R1.791 CCOc1cc(ccc1Cl)NCC=O 2230a_100011964961_200015260668 [0,2,0,0,0,0|1,0,0]=3 5004 B14R1.791 CCOc1cc(ccc1Cl)NCC=O 34a_100011964961_200009817547 [0,2,0,0,0,0|1,0,0]=3 5005 B14R1.791 CCOc1cc(ccc1F)SCC=O 62a_200012344967_200015260668 [0,2,0,0,0,0|1,0,0]=3 5006 B14R1.791 CCOc1cc(ccc1F)SCC=O 62a_200015260668_200012344967 [0,2,0,0,0,0|1,0,0]=3 5007 B14R1.791 CCOc1cc(ccc1N)SCC=O 62a_100000688918_200015260668 [0,2,0,0,0,0|1,0,0]=3 5008 B14R1.791 CCOc1cc(ccc1O)CNCF 34a_200000751567_100015361967 [0,2,0,0,0,0|1,0,1]=4 5009 B14R1.791 CCOc1cc(cnc1F)SCC=O 62a_100010732568_200015260668 [0,2,0,0,0,0|2,0,0]=4 5010 B14R1.791 CCOc1cc(cnc1F)SCC=O 62a_200015260668_100010732568 [0,2,0,0,0,0|2,0,0]=4 5011 B14R1.791 CCOc1cc(ncc1N)SCC=O 62a_100015764953_200015260668 [0,2,0,0,0,0|2,0,0]=4 5012 B14R1.791 CCOc1cc(ncc1N)SCC=O 62a_200015260668_100015764953 [0,2,0,0,0,0|2,0,0]=4 5013 B14R1.791 CNCc1cc(ccc1O)SCC=O 62a_100011602694_200015260668 [0,2,0,0,0,0|2,0,0]=4 5014 B14R1.791 CNCc1cc(ccc1O)SCC=O 62a_200015260668_100011602694 [0,2,0,0,0,0|2,0,0]=4 5015 B14R1.3235 C=C=Cc1cc(c(c(c1)OCC)F)F 271570a_100015277604_200012359421 [0,2,0,0,0,0|2,0,0]=4 5016 B14R1.3235 CC=Cc1cc(c(c(c1)OCC)F)F 271570a_100016259895_200012359421 [0,2,0,0,0,0|2,0,0]=4 5017 B14R1.6795 C=C=Cc1ccc(c(c1)C(=O)CC)O 271570a_100015277604_100000183607 [0,2,0,0,0,0|2,0,0]=4 5018 B14R1.6795 CC=Cc1ccc(c(c1)C(=O)CC)O 271570a_100016259895_100000183607 [0,2,0,0,0,0|2,0,0]=4 5019 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)Br 271570a_100011290941_200012360513 [0,2,0,0,0,0|2,0,0]=4 5020 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)C 271570a_100011290941_100012360117 [0,2,0,0,0,0|2,0,0]=4 5021 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)Cl 271570a_100011290941_200012339456 [0,2,0,0,0,0|2,0,0]=4 5022 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)F 271570a_100011290941_100000716760 [0,2,0,0,0,0|2,0,0]=4 5023 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)N 271570a_100011290941_100000747833 [0,2,0,0,0,0|2,0,0]=4 5024 B14R1.601 C=Cc1ccc(c(c1)C(=O)OCC)O 271570a_100011290941_200000174078 [0,2,0,0,0,0|1,0,0]=3 5025 B14R1.601 C=Cc1cnc(c(c1)C(=O)OCC)O 271570a_100011290941_100010189763 [0,2,0,0,0,0|2,0,0]=4 5026 B14R1.601 CCOC(=O)c1cc(ccc1O)OC 271570a_203496583355_200000171771 [0,2,0,0,0,0|2,0,0]=4 5027 B14R1.601 CCOC(=O)c1cc(ccc1O)SC 62a_200000210301_200000173011 [0,2,0,0,0,0|2,0,0]=4 5028 B14R1.601 CCOC(=O)c1cc(ccc1O)S[13CH3] 62a_200025704644_200000173011 [0,2,0,0,0,0|2,0,0]=4 5029 B14R1.885 C#CCCSc1cc(ccc1Br)C=O 62a_100000688953_100010146563 [0,2,0,0,0,0|1,1,0]=4 5030 B14R1.885 C#CCCSc1cc(ccc1Br)C=O 62a_100010146563_100000688953 [0,2,0,0,0,0|1,1,0]=4 5031 B14R1.885 C#CCCSc1cc(ccc1C)C=O 62a_100000688953_100000695567 [0,2,0,0,0,0|1,1,0]=4 5032 B14R1.885 C#CCCSc1cc(ccc1C)C=O 62a_100000695567_100000688953 [0,2,0,0,0,0|1,1,0]=4 5033 B14R1.885 C#CCCSc1cc(ccc1Cl)C=O 62a_100000688953_100010209939 [0,2,0,0,0,0|1,1,0]=4 5034 B14R1.885 C#CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000688953 [0,2,0,0,0,0|1,1,0]=4 5035 B14R1.885 C#CCCSc1cc(ccc1F)C=O 62a_100000211747_100000688953 [0,2,0,0,0,0|1,1,0]=4 5036 B14R1.885 C#CCCSc1cc(ccc1F)C=O 62a_100000688953_100000211747 [0,2,0,0,0,0|1,1,0]=4 5037 B14R1.885 C#CCCSc1cc(ccc1O)C=O 62a_100000184552_100000688953 [0,2,0,0,0,0|0,1,0]=3 5038 B14R1.885 C#CCCSc1cc(ccc1O)C=O 62a_100000688953_100000184552 [0,2,0,0,0,0|0,1,0]=3 5039 B14R1.885 C#CCCSc1cc(cnc1O)C=O 62a_100000688953_100010064886 [0,2,0,0,0,0|1,1,0]=4 5040 B14R1.885 C#CCCSc1cc(cnc1O)C=O 62a_100010064886_100000688953 [0,2,0,0,0,0|1,1,0]=4 5041 B14R1.885 C/C=C/CSc1cc(ccc1Br)C=O 62a_100010146563_100102629194 [0,2,0,0,0,0|1,1,0]=4 5042 B14R1.885 C/C=C/CSc1cc(ccc1Br)C=O 62a_100102629194_100010146563 [0,2,0,0,0,0|1,1,0]=4 5043 B14R1.885 C/C=C/CSc1cc(ccc1C)C=O 62a_100000695567_100102629194 [0,2,0,0,0,0|1,1,0]=4 5044 B14R1.885 C/C=C/CSc1cc(ccc1C)C=O 62a_100102629194_100000695567 [0,2,0,0,0,0|1,1,0]=4 5045 B14R1.885 C/C=C/CSc1cc(ccc1Cl)C=O 62a_100010209939_100102629194 [0,2,0,0,0,0|1,1,0]=4 5046 B14R1.885 C/C=C/CSc1cc(ccc1Cl)C=O 62a_100102629194_100010209939 [0,2,0,0,0,0|1,1,0]=4 5047 B14R1.885 C/C=C/CSc1cc(ccc1F)C=O 62a_100000211747_100102629194 [0,2,0,0,0,0|1,1,0]=4 5048 B14R1.885 C/C=C/CSc1cc(ccc1F)C=O 62a_100102629194_100000211747 [0,2,0,0,0,0|1,1,0]=4 5049 B14R1.885 C/C=C/CSc1cc(ccc1O)C=O 62a_100000184552_100102629194 [0,2,0,0,0,0|0,1,0]=3 5050 B14R1.885 C/C=C/CSc1cc(ccc1O)C=O 62a_100102629194_100000184552 [0,2,0,0,0,0|0,1,0]=3 5051 B14R1.885 C/C=C/CSc1cc(cnc1O)C=O 62a_100010064886_100102629194 [0,2,0,0,0,0|1,1,0]=4 5052 B14R1.885 C/C=C/CSc1cc(cnc1O)C=O 62a_100102629194_100010064886 [0,2,0,0,0,0|1,1,0]=4 5053 B14R1.885 C=CCCSc1cc(ccc1Br)C=O 62a_100000754431_100010146563 [0,2,0,0,0,0|1,1,0]=4 5054 B14R1.885 C=CCCSc1cc(ccc1Br)C=O 62a_100010146563_100000754431 [0,2,0,0,0,0|1,1,0]=4 5055 B14R1.885 C=CCCSc1cc(ccc1C)C=O 62a_100000695567_100000754431 [0,2,0,0,0,0|1,1,0]=4 5056 B14R1.885 C=CCCSc1cc(ccc1C)C=O 62a_100000754431_100000695567 [0,2,0,0,0,0|1,1,0]=4 5057 B14R1.885 C=CCCSc1cc(ccc1Cl)C=O 62a_100000754431_100010209939 [0,2,0,0,0,0|1,1,0]=4 5058 B14R1.885 C=CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000754431 [0,2,0,0,0,0|1,1,0]=4 5059 B14R1.885 C=CCCSc1cc(ccc1F)C=O 62a_100000211747_100000754431 [0,2,0,0,0,0|1,1,0]=4 5060 B14R1.885 C=CCCSc1cc(ccc1F)C=O 62a_100000754431_100000211747 [0,2,0,0,0,0|1,1,0]=4 5061 B14R1.885 C=CCCSc1cc(ccc1O)C=O 62a_100000184552_100000754431 [0,2,0,0,0,0|0,1,0]=3 5062 B14R1.885 C=CCCSc1cc(ccc1O)C=O 62a_100000754431_100000184552 [0,2,0,0,0,0|0,1,0]=3 5063 B14R1.885 C=CCCSc1cc(cnc1O)C=O 62a_100000754431_100010064886 [0,2,0,0,0,0|1,1,0]=4 5064 B14R1.885 C=CCCSc1cc(cnc1O)C=O 62a_100010064886_100000754431 [0,2,0,0,0,0|1,1,0]=4 5065 B14R1.885 C=Cc1ccc(c(c1)OCCOC)C 271570a_100011290941_200012344063 [0,2,0,0,0,0|2,0,0]=4 5066 B14R1.885 CC#CCSc1cc(ccc1Br)C=O 62a_100000748600_100010146563 [0,2,0,0,0,0|1,1,0]=4 5067 B14R1.885 CC#CCSc1cc(ccc1Br)C=O 62a_100010146563_100000748600 [0,2,0,0,0,0|1,1,0]=4 5068 B14R1.885 CC#CCSc1cc(ccc1C)C=O 62a_100000695567_100000748600 [0,2,0,0,0,0|1,1,0]=4 5069 B14R1.885 CC#CCSc1cc(ccc1C)C=O 62a_100000748600_100000695567 [0,2,0,0,0,0|1,1,0]=4 5070 B14R1.885 CC#CCSc1cc(ccc1Cl)C=O 62a_100000748600_100010209939 [0,2,0,0,0,0|1,1,0]=4 5071 B14R1.885 CC#CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000748600 [0,2,0,0,0,0|1,1,0]=4 5072 B14R1.885 CC#CCSc1cc(ccc1F)C=O 62a_100000211747_100000748600 [0,2,0,0,0,0|1,1,0]=4 5073 B14R1.885 CC#CCSc1cc(ccc1F)C=O 62a_100000748600_100000211747 [0,2,0,0,0,0|1,1,0]=4 5074 B14R1.885 CC#CCSc1cc(ccc1O)C=O 62a_100000184552_100000748600 [0,2,0,0,0,0|0,1,0]=3 5075 B14R1.885 CC#CCSc1cc(ccc1O)C=O 62a_100000748600_100000184552 [0,2,0,0,0,0|0,1,0]=3 5076 B14R1.885 CC#CCSc1cc(cnc1O)C=O 62a_100000748600_100010064886 [0,2,0,0,0,0|1,1,0]=4 5077 B14R1.885 CC#CCSc1cc(cnc1O)C=O 62a_100010064886_100000748600 [0,2,0,0,0,0|1,1,0]=4 5078 B14R1.885 CC=CCSc1cc(ccc1Br)C=O 62a_100000070051_100010146563 [0,2,0,0,0,0|1,1,0]=4 5079 B14R1.885 CC=CCSc1cc(ccc1Br)C=O 62a_100010146563_100000070051 [0,2,0,0,0,0|1,1,0]=4 5080 B14R1.885 CC=CCSc1cc(ccc1C)C=O 62a_100000070051_100000695567 [0,2,0,0,0,0|1,1,0]=4 5081 B14R1.885 CC=CCSc1cc(ccc1C)C=O 62a_100000695567_100000070051 [0,2,0,0,0,0|1,1,0]=4 5082 B14R1.885 CC=CCSc1cc(ccc1Cl)C=O 62a_100000070051_100010209939 [0,2,0,0,0,0|1,1,0]=4 5083 B14R1.885 CC=CCSc1cc(ccc1Cl)C=O 62a_100010209939_100000070051 [0,2,0,0,0,0|1,1,0]=4 5084 B14R1.885 CC=CCSc1cc(ccc1F)C=O 62a_100000070051_100000211747 [0,2,0,0,0,0|1,1,0]=4 5085 B14R1.885 CC=CCSc1cc(ccc1F)C=O 62a_100000211747_100000070051 [0,2,0,0,0,0|1,1,0]=4 5086 B14R1.885 CC=CCSc1cc(ccc1O)C=O 62a_100000070051_100000184552 [0,2,0,0,0,0|0,1,0]=3 5087 B14R1.885 CC=CCSc1cc(ccc1O)C=O 62a_100000184552_100000070051 [0,2,0,0,0,0|0,1,0]=3 5088 B14R1.885 CC=CCSc1cc(cnc1O)C=O 62a_100000070051_100010064886 [0,2,0,0,0,0|1,1,0]=4 5089 B14R1.885 CC=CCSc1cc(cnc1O)C=O 62a_100010064886_100000070051 [0,2,0,0,0,0|1,1,0]=4 5090 B14R1.885 CCCC=Cc1cc(ccc1Br)C=O 271570a_100016258520_100010146563 [0,2,0,0,0,0|2,0,0]=4 5091 B14R1.885 CCCC=Cc1cc(ccc1C)C=O 271570a_100016258520_100000695567 [0,2,0,0,0,0|2,0,0]=4 5092 B14R1.885 CCCC=Cc1cc(ccc1Cl)C=O 271570a_100016258520_100010209939 [0,2,0,0,0,0|2,0,0]=4 5093 B14R1.885 CCCC=Cc1cc(ccc1F)C=O 271570a_100016258520_100000211747 [0,2,0,0,0,0|2,0,0]=4 5094 B14R1.885 CCCC=Cc1cc(ccc1O)C=O 271570a_100016258520_100000184552 [0,2,0,0,0,0|1,0,0]=3 5095 B14R1.885 CCCC=Cc1cc(cnc1O)C=O 271570a_100016258520_100010064886 [0,2,0,0,0,0|2,0,0]=4 5096 B14R1.885 CCCCSc1cc(ccc1Br)C=O 62a_100000210211_100010146563 [0,2,0,0,0,0|1,1,0]=4 5097 B14R1.885 CCCCSc1cc(ccc1Br)C=O 62a_100010146563_100000210210 [0,2,0,0,0,0|1,1,0]=4 5098 B14R1.885 CCCCSc1cc(ccc1C)C=O 62a_100000210211_100000695567 [0,2,0,0,0,0|1,1,0]=4 5099 B14R1.885 CCCCSc1cc(ccc1C)C=O 62a_100000695567_100000210210 [0,2,0,0,0,0|1,1,0]=4 5100 B14R1.885 CCCCSc1cc(ccc1Cl)C=O 62a_100000210211_100010209939 [0,2,0,0,0,0|1,1,0]=4 5101 B14R1.885 CCCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000210210 [0,2,0,0,0,0|1,1,0]=4 5102 B14R1.885 CCCCSc1cc(ccc1F)C=O 62a_100000210211_100000211747 [0,2,0,0,0,0|1,1,0]=4 5103 B14R1.885 CCCCSc1cc(ccc1F)C=O 62a_100000211747_100000210210 [0,2,0,0,0,0|1,1,0]=4 5104 B14R1.885 CCCCSc1cc(ccc1O)C=O 62a_100000184552_100000210210 [0,2,0,0,0,0|0,1,0]=3 5105 B14R1.885 CCCCSc1cc(ccc1O)C=O 62a_100000210211_100000184552 [0,2,0,0,0,0|0,1,0]=3 5106 B14R1.885 CCCCSc1cc(cnc1O)C=O 62a_100000210211_100010064886 [0,2,0,0,0,0|1,1,0]=4 5107 B14R1.885 CCCCSc1cc(cnc1O)C=O 62a_100010064886_100000210210 [0,2,0,0,0,0|1,1,0]=4 5108 B14R1.885 CCOC=Cc1cc(ccc1Br)C=O 271570a_100016256518_100010146563 [0,2,0,0,0,0|1,0,0]=3 5109 B14R1.885 CCOC=Cc1cc(ccc1C)C=O 271570a_100016256518_100000695567 [0,2,0,0,0,0|1,0,0]=3 5110 B14R1.885 CCOC=Cc1cc(ccc1Cl)C=O 271570a_100016256518_100010209939 [0,2,0,0,0,0|1,0,0]=3 5111 B14R1.885 CCOC=Cc1cc(ccc1F)C=O 271570a_100016256518_100000211747 [0,2,0,0,0,0|1,0,0]=3 5112 B14R1.885 CCOC=Cc1cc(ccc1O)C#N 271570a_100016256518_100000725478 [0,2,0,0,0,0|1,0,1]=4 5113 B14R1.885 CCOC=Cc1cc(ccc1O)C=O 271570a_100016256518_100000184552 [0,2,0,0,0,0|0,0,0]=2 5114 B14R1.885 CCOC=Cc1cc(ccc1O)CC 271570a_100016256518_100012339963 [0,2,0,0,0,0|1,0,1]=4 5115 B14R1.885 CCOC=Cc1cc(ccc1O)CO 271570a_100016256518_100011191544 [0,2,0,0,0,0|0,0,2]=4 5116 B14R1.885 CCOC=Cc1cc(ccc1O)OC 271570a_100016256518_100000685887 [0,2,0,0,0,0|2,0,0]=4 5117 B14R1.885 CCOC=Cc1cc(cnc1N)C=O 271570a_100016256518_100010064899 [0,2,0,0,0,0|2,0,0]=4 5118 B14R1.885 CCOC=Cc1cc(cnc1O)C=O 271570a_100016256518_100010064886 [0,2,0,0,0,0|1,0,0]=3 5119 B14R1.885 CCOC=Cc1cc(ncc1C)C=O 271570a_100016256518_100010174032 [0,2,0,0,0,0|2,0,0]=4 5120 B14R1.885 CCOCSc1cc(ccc1Br)C=O 62a_100000739092_100010146563 [0,2,0,0,0,0|1,0,0]=3 5121 B14R1.885 CCOCSc1cc(ccc1Br)C=O 62a_100010146563_100000739092 [0,2,0,0,0,0|1,0,0]=3 5122 B14R1.885 CCOCSc1cc(ccc1C)C=O 62a_100000695567_100000739092 [0,2,0,0,0,0|1,0,0]=3 5123 B14R1.885 CCOCSc1cc(ccc1C)C=O 62a_100000739092_100000695567 [0,2,0,0,0,0|1,0,0]=3 5124 B14R1.885 CCOCSc1cc(ccc1Cl)C=O 62a_100000739092_100010209939 [0,2,0,0,0,0|1,0,0]=3 5125 B14R1.885 CCOCSc1cc(ccc1Cl)C=O 62a_100010209939_100000739092 [0,2,0,0,0,0|1,0,0]=3 5126 B14R1.885 CCOCSc1cc(ccc1F)C=O 62a_100000211747_100000739092 [0,2,0,0,0,0|1,0,0]=3 5127 B14R1.885 CCOCSc1cc(ccc1F)C=O 62a_100000739092_100000211747 [0,2,0,0,0,0|1,0,0]=3 5128 B14R1.885 CCOCSc1cc(ccc1O)C#N 62a_100000739092_100000725478 [0,2,0,0,0,0|1,0,1]=4 5129 B14R1.885 CCOCSc1cc(ccc1O)C=O 62a_100000184552_100000739092 [0,2,0,0,0,0|0,0,0]=2 5130 B14R1.885 CCOCSc1cc(ccc1O)C=O 62a_100000739092_100000184552 [0,2,0,0,0,0|0,0,0]=2 5131 B14R1.885 CCOCSc1cc(ccc1O)CC 62a_100000739092_100012339963 [0,2,0,0,0,0|1,0,1]=4 5132 B14R1.885 CCOCSc1cc(ccc1O)CC 62a_100012339963_100000739092 [0,2,0,0,0,0|1,0,1]=4 5133 B14R1.885 CCOCSc1cc(ccc1O)CO 62a_100000739092_100011191544 [0,2,0,0,0,0|0,0,2]=4 5134 B14R1.885 CCOCSc1cc(ccc1O)CO 62a_100011191544_100000739092 [0,2,0,0,0,0|0,0,2]=4 5135 B14R1.885 CCOCSc1cc(ccc1O)OC 62a_100000739092_100000685887 [0,2,0,0,0,0|2,0,0]=4 5136 B14R1.885 CCOCSc1cc(cnc1N)C=O 62a_100000739092_100010064899 [0,2,0,0,0,0|2,0,0]=4 5137 B14R1.885 CCOCSc1cc(cnc1N)C=O 62a_100010064899_100000739092 [0,2,0,0,0,0|2,0,0]=4 5138 B14R1.885 CCOCSc1cc(cnc1O)C=O 62a_100000739092_100010064886 [0,2,0,0,0,0|1,0,0]=3 5139 B14R1.885 CCOCSc1cc(cnc1O)C=O 62a_100010064886_100000739092 [0,2,0,0,0,0|1,0,0]=3 5140 B14R1.885 CCOCSc1cc(ncc1C)C=O 62a_100000739092_100010174032 [0,2,0,0,0,0|2,0,0]=4 5141 B14R1.885 CCOCSc1cc(ncc1C)C=O 62a_100010174032_100000739092 [0,2,0,0,0,0|2,0,0]=4 5142 B14R1.885 COCC=Cc1cc(ccc1Br)C=O 271570a_100016286323_100010146563 [0,2,0,0,0,0|2,0,0]=4 5143 B14R1.885 COCC=Cc1cc(ccc1C)C=O 271570a_100016286323_100000695567 [0,2,0,0,0,0|2,0,0]=4 5144 B14R1.885 COCC=Cc1cc(ccc1Cl)C=O 271570a_100016286323_100010209939 [0,2,0,0,0,0|2,0,0]=4 5145 B14R1.885 COCC=Cc1cc(ccc1F)C=O 271570a_100016286323_100000211747 [0,2,0,0,0,0|2,0,0]=4 5146 B14R1.885 COCC=Cc1cc(ccc1O)C=O 271570a_100016286323_100000184552 [0,2,0,0,0,0|1,0,0]=3 5147 B14R1.885 COCC=Cc1cc(cnc1O)C=O 271570a_100016286323_100010064886 [0,2,0,0,0,0|2,0,0]=4 5148 B14R1.885 COCCSc1cc(ccc1Br)C=O 62a_100000233755_100010146563 [0,2,0,0,0,0|1,1,0]=4 5149 B14R1.885 COCCSc1cc(ccc1Br)C=O 62a_100010146563_100000233755 [0,2,0,0,0,0|1,1,0]=4 5150 B14R1.885 COCCSc1cc(ccc1C)C=O 62a_100000233755_100000695567 [0,2,0,0,0,0|1,1,0]=4 5151 B14R1.885 COCCSc1cc(ccc1C)C=O 62a_100000695567_100000233755 [0,2,0,0,0,0|1,1,0]=4 5152 B14R1.885 COCCSc1cc(ccc1Cl)C=O 62a_100000233755_100010209939 [0,2,0,0,0,0|1,1,0]=4 5153 B14R1.885 COCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000233755 [0,2,0,0,0,0|1,1,0]=4 5154 B14R1.885 COCCSc1cc(ccc1F)C=O 62a_100000211747_100000233755 [0,2,0,0,0,0|1,1,0]=4 5155 B14R1.885 COCCSc1cc(ccc1F)C=O 62a_100000233755_100000211747 [0,2,0,0,0,0|1,1,0]=4 5156 B14R1.885 COCCSc1cc(ccc1O)C=O 62a_100000184552_100000233755 [0,2,0,0,0,0|0,1,0]=3 5157 B14R1.885 COCCSc1cc(ccc1O)C=O 62a_100000233755_100000184552 [0,2,0,0,0,0|0,1,0]=3 5158 B14R1.885 COCCSc1cc(cnc1O)C=O 62a_100000233755_100010064886 [0,2,0,0,0,0|1,1,0]=4 5159 B14R1.885 COCCSc1cc(cnc1O)C=O 62a_100010064886_100000233755 [0,2,0,0,0,0|1,1,0]=4 5160 B14R1.885 CSCCSc1cc(ccc1Br)C=O 62a_100000212216_100010146563 [0,2,0,0,0,0|1,1,0]=4 5161 B14R1.885 CSCCSc1cc(ccc1Br)C=O 62a_100010146563_100000751147 [0,2,0,0,0,0|1,1,0]=4 5162 B14R1.885 CSCCSc1cc(ccc1C)C=O 62a_100000212216_100000695567 [0,2,0,0,0,0|1,1,0]=4 5163 B14R1.885 CSCCSc1cc(ccc1C)C=O 62a_100000695567_100000751147 [0,2,0,0,0,0|1,1,0]=4 5164 B14R1.885 CSCCSc1cc(ccc1Cl)C=O 62a_100000212216_100010209939 [0,2,0,0,0,0|1,1,0]=4 5165 B14R1.885 CSCCSc1cc(ccc1Cl)C=O 62a_100010209939_100000751147 [0,2,0,0,0,0|1,1,0]=4 5166 B14R1.885 CSCCSc1cc(ccc1F)C=O 62a_100000211747_100000751147 [0,2,0,0,0,0|1,1,0]=4 5167 B14R1.885 CSCCSc1cc(ccc1F)C=O 62a_100000212216_100000211747 [0,2,0,0,0,0|1,1,0]=4 5168 B14R1.885 CSCCSc1cc(ccc1O)C=O 62a_100000184552_100000751147 [0,2,0,0,0,0|0,1,0]=3 5169 B14R1.885 CSCCSc1cc(ccc1O)C=O 62a_100000212216_100000184552 [0,2,0,0,0,0|0,1,0]=3 5170 B14R1.885 CSCCSc1cc(cnc1O)C=O 62a_100000212216_100010064886 [0,2,0,0,0,0|1,1,0]=4 5171 B14R1.885 CSCCSc1cc(cnc1O)C=O 62a_100010064886_100000751147 [0,2,0,0,0,0|1,1,0]=4 5172 B14R1.885 Cc1ccc(cc1SCCC#N)C=O 62a_100000695567_100011215226 [0,2,0,0,0,0|1,1,0]=4 5173 B14R1.885 Cc1ccc(cc1SCCC#N)C=O 62a_100011215226_100000695567 [0,2,0,0,0,0|1,1,0]=4 5174 B14R1.885 Cc1ccc(cc1SCCCF)C=O 62a_100000695567_100011934791 [0,2,0,0,0,0|1,1,0]=4 5175 B14R1.885 Cc1ccc(cc1SCCCF)C=O 62a_100011934791_100000695567 [0,2,0,0,0,0|1,1,0]=4 5176 B14R1.885 Cc1ccc(cc1SCCCO)C=O 62a_100000695567_100011215043 [0,2,0,0,0,0|1,1,0]=4 5177 B14R1.885 Cc1ccc(cc1SCCCO)C=O 62a_100011215043_100000695567 [0,2,0,0,0,0|1,1,0]=4 5178 B14R1.885 N#CCCSc1cc(ccc1Br)C=O 62a_100010146563_100011215226 [0,2,0,0,0,0|1,1,0]=4 5179 B14R1.885 N#CCCSc1cc(ccc1Br)C=O 62a_100011215226_100010146563 [0,2,0,0,0,0|1,1,0]=4 5180 B14R1.885 N#CCCSc1cc(ccc1Cl)C=O 62a_100010209939_100011215226 [0,2,0,0,0,0|1,1,0]=4 5181 B14R1.885 N#CCCSc1cc(ccc1Cl)C=O 62a_100011215226_100010209939 [0,2,0,0,0,0|1,1,0]=4 5182 B14R1.885 N#CCCSc1cc(ccc1F)C=O 62a_100000211747_100011215226 [0,2,0,0,0,0|1,1,0]=4 5183 B14R1.885 N#CCCSc1cc(ccc1F)C=O 62a_100011215226_100000211747 [0,2,0,0,0,0|1,1,0]=4 5184 B14R1.885 N#CCCSc1cc(ccc1O)C=O 62a_100000184552_100011215226 [0,2,0,0,0,0|0,1,0]=3 5185 B14R1.885 N#CCCSc1cc(ccc1O)C=O 62a_100011215226_100000184552 [0,2,0,0,0,0|0,1,0]=3 5186 B14R1.885 N#CCCSc1cc(cnc1O)C=O 62a_100010064886_100011215226 [0,2,0,0,0,0|1,1,0]=4 5187 B14R1.885 N#CCCSc1cc(cnc1O)C=O 62a_100011215226_100010064886 [0,2,0,0,0,0|1,1,0]=4 5188 B14R1.885 N#CSCSc1cc(ccc1O)C=O 62a_100000184552_100000211825 [0,2,0,0,0,0|0,1,1]=4 5189 B14R1.885 N#CSCSc1cc(ccc1O)C=O 62a_100000211825_100000184552 [0,2,0,0,0,0|0,1,1]=4 5190 B14R1.885 O=Cc1ccc(c(c1)SCCCF)Br 62a_100010146563_100011934791 [0,2,0,0,0,0|1,1,0]=4 5191 B14R1.885 O=Cc1ccc(c(c1)SCCCF)Br 62a_100011934791_100010146563 [0,2,0,0,0,0|1,1,0]=4 5192 B14R1.885 O=Cc1ccc(c(c1)SCCCF)Cl 62a_100010209939_100011934791 [0,2,0,0,0,0|1,1,0]=4 5193 B14R1.885 O=Cc1ccc(c(c1)SCCCF)Cl 62a_100011934791_100010209939 [0,2,0,0,0,0|1,1,0]=4 5194 B14R1.885 O=Cc1ccc(c(c1)SCCCF)F 62a_100000211747_100011934791 [0,2,0,0,0,0|1,1,0]=4 5195 B14R1.885 O=Cc1ccc(c(c1)SCCCF)F 62a_100011934791_100000211747 [0,2,0,0,0,0|1,1,0]=4 5196 B14R1.885 O=Cc1ccc(c(c1)SCCCF)O 62a_100000184552_100011934791 [0,2,0,0,0,0|0,1,0]=3 5197 B14R1.885 O=Cc1ccc(c(c1)SCCCF)O 62a_100011934791_100000184552 [0,2,0,0,0,0|0,1,0]=3 5198 B14R1.885 O=Cc1ccc(c(c1)SCCCO)Br 62a_100010146563_100011215043 [0,2,0,0,0,0|1,1,0]=4 5199 B14R1.885 O=Cc1ccc(c(c1)SCCCO)Br 62a_100011215043_100010146563 [0,2,0,0,0,0|1,1,0]=4 5200 B14R1.885 O=Cc1ccc(c(c1)SCCCO)Cl 62a_100010209939_100011215043 [0,2,0,0,0,0|1,1,0]=4 5201 B14R1.885 O=Cc1ccc(c(c1)SCCCO)Cl 62a_100011215043_100010209939 [0,2,0,0,0,0|1,1,0]=4 5202 B14R1.885 O=Cc1ccc(c(c1)SCCCO)F 62a_100000211747_100011215043 [0,2,0,0,0,0|1,1,0]=4 5203 B14R1.885 O=Cc1ccc(c(c1)SCCCO)F 62a_100011215043_100000211747 [0,2,0,0,0,0|1,1,0]=4 5204 B14R1.885 O=Cc1ccc(c(c1)SCCCO)O 62a_100000184552_100011215043 [0,2,0,0,0,0|0,1,0]=3 5205 B14R1.885 O=Cc1ccc(c(c1)SCCCO)O 62a_100011215043_100000184552 [0,2,0,0,0,0|0,1,0]=3 5206 B14R1.885 O=Cc1cnc(c(c1)SCCCF)O 62a_100010064886_100011934791 [0,2,0,0,0,0|1,1,0]=4 5207 B14R1.885 O=Cc1cnc(c(c1)SCCCF)O 62a_100011934791_100010064886 [0,2,0,0,0,0|1,1,0]=4 5208 B14R1.885 O=Cc1cnc(c(c1)SCCCO)O 62a_100010064886_100011215043 [0,2,0,0,0,0|1,1,0]=4 5209 B14R1.885 O=Cc1cnc(c(c1)SCCCO)O 62a_100011215043_100010064886 [0,2,0,0,0,0|1,1,0]=4 5210 B14R1.2335 C=C(C)CSc1cc(ccc1Br)C=O 62a_100000748629_100010146563 [0,2,0,0,0,0|1,1,0]=4 5211 B14R1.2335 C=C(C)CSc1cc(ccc1Br)C=O 62a_100010146563_100000211660 [0,2,0,0,0,0|1,1,0]=4 5212 B14R1.2335 C=C(C)CSc1cc(ccc1C)C=O 62a_100000695567_100000211660 [0,2,0,0,0,0|1,1,0]=4 5213 B14R1.2335 C=C(C)CSc1cc(ccc1C)C=O 62a_100000748629_100000695567 [0,2,0,0,0,0|1,1,0]=4 5214 B14R1.2335 C=C(C)CSc1cc(ccc1Cl)C=O 62a_100000748629_100010209939 [0,2,0,0,0,0|1,1,0]=4 5215 B14R1.2335 C=C(C)CSc1cc(ccc1Cl)C=O 62a_100010209939_100000211660 [0,2,0,0,0,0|1,1,0]=4 5216 B14R1.2335 C=C(C)CSc1cc(ccc1F)C=O 62a_100000211747_100000211660 [0,2,0,0,0,0|1,1,0]=4 5217 B14R1.2335 C=C(C)CSc1cc(ccc1F)C=O 62a_100000748629_100000211747 [0,2,0,0,0,0|1,1,0]=4 5218 B14R1.2335 C=C(C)CSc1cc(ccc1O)C=O 62a_100000184552_100000211660 [0,2,0,0,0,0|0,1,0]=3 5219 B14R1.2335 C=C(C)CSc1cc(ccc1O)C=O 62a_100000748629_100000184552 [0,2,0,0,0,0|0,1,0]=3 5220 B14R1.2335 C=C(C)CSc1cc(cnc1O)C=O 62a_100000748629_100010064886 [0,2,0,0,0,0|1,1,0]=4 5221 B14R1.2335 C=C(C)CSc1cc(cnc1O)C=O 62a_100010064886_100000211660 [0,2,0,0,0,0|1,1,0]=4 5222 B14R1.2335 C=C(F)CSc1cc(ccc1O)C=O 62a_100000042424_100000184552 [0,2,0,0,0,0|0,1,1]=4 5223 B14R1.2335 C=C(F)CSc1cc(ccc1O)C=O 62a_100000184552_100000042424 [0,2,0,0,0,0|0,1,1]=4 5224 B14R1.2335 CC(C)C=Cc1cc(ccc1Br)C=O 271570a_100016257149_100010146563 [0,2,0,0,0,0|2,0,0]=4 5225 B14R1.2335 CC(C)C=Cc1cc(ccc1Cl)C=O 271570a_100016257149_100010209939 [0,2,0,0,0,0|2,0,0]=4 5226 B14R1.2335 CC(C)C=Cc1cc(ccc1F)C=O 271570a_100016257149_100000211747 [0,2,0,0,0,0|2,0,0]=4 5227 B14R1.2335 CC(C)C=Cc1cc(ccc1O)C=O 271570a_100016257149_100000184552 [0,2,0,0,0,0|1,0,0]=3 5228 B14R1.2335 CC(C)C=Cc1cc(cnc1O)C=O 271570a_100016257149_100010064886 [0,2,0,0,0,0|2,0,0]=4 5229 B14R1.2335 CC(C)CSc1cc(ccc1Br)C=O 62a_100000210624_100010146563 [0,2,0,0,0,0|1,1,0]=4 5230 B14R1.2335 CC(C)CSc1cc(ccc1Br)C=O 62a_100010146563_100000210760 [0,2,0,0,0,0|1,1,0]=4 5231 B14R1.2335 CC(C)CSc1cc(ccc1Cl)C=O 62a_100000210624_100010209939 [0,2,0,0,0,0|1,1,0]=4 5232 B14R1.2335 CC(C)CSc1cc(ccc1Cl)C=O 62a_100010209939_100000210760 [0,2,0,0,0,0|1,1,0]=4 5233 B14R1.2335 CC(C)CSc1cc(ccc1F)C=O 62a_100000210624_100000211747 [0,2,0,0,0,0|1,1,0]=4 5234 B14R1.2335 CC(C)CSc1cc(ccc1F)C=O 62a_100000211747_100000210760 [0,2,0,0,0,0|1,1,0]=4 5235 B14R1.2335 CC(C)CSc1cc(ccc1O)C=O 62a_100000184552_100000210760 [0,2,0,0,0,0|0,1,0]=3 5236 B14R1.2335 CC(C)CSc1cc(ccc1O)C=O 62a_100000210624_100000184552 [0,2,0,0,0,0|0,1,0]=3 5237 B14R1.2335 CC(C)CSc1cc(cnc1O)C=O 62a_100000210624_100010064886 [0,2,0,0,0,0|1,1,0]=4 5238 B14R1.2335 CC(C)CSc1cc(cnc1O)C=O 62a_100010064886_100000210760 [0,2,0,0,0,0|1,1,0]=4 5239 B14R1.2335 CC(O)C=Cc1cc(ccc1Br)C=O 271570a_200011019289_100010146563 [0,2,0,0,0,0|2,0,0]=4 5240 B14R1.2335 CC(O)C=Cc1cc(ccc1Cl)C=O 271570a_200011019289_100010209939 [0,2,0,0,0,0|2,0,0]=4 5241 B14R1.2335 CC(O)C=Cc1cc(ccc1F)C=O 271570a_200011019289_100000211747 [0,2,0,0,0,0|2,0,0]=4 5242 B14R1.2335 CC(O)C=Cc1cc(ccc1O)C=O 271570a_200011019289_100000184552 [0,2,0,0,0,0|1,0,0]=3 5243 B14R1.2335 CC(O)C=Cc1cc(cnc1O)C=O 271570a_200011019289_100010064886 [0,2,0,0,0,0|2,0,0]=4 5244 B14R1.2335 CC(O)CSc1cc(ccc1Br)C=O 62a_100010146563_100011218427 [0,2,0,0,0,0|1,1,0]=4 5245 B14R1.2335 CC(O)CSc1cc(ccc1Br)C=O 62a_100011218427_100010146563 [0,2,0,0,0,0|1,1,0]=4 5246 B14R1.2335 CC(O)CSc1cc(ccc1Cl)C=O 62a_100010209939_100011218427 [0,2,0,0,0,0|1,1,0]=4 5247 B14R1.2335 CC(O)CSc1cc(ccc1Cl)C=O 62a_100011218427_100010209939 [0,2,0,0,0,0|1,1,0]=4 5248 B14R1.2335 CC(O)CSc1cc(ccc1F)C=O 62a_100000211747_100011218427 [0,2,0,0,0,0|1,1,0]=4 5249 B14R1.2335 CC(O)CSc1cc(ccc1F)C=O 62a_100011218427_100000211747 [0,2,0,0,0,0|1,1,0]=4 5250 B14R1.2335 CC(O)CSc1cc(ccc1O)C=O 62a_100000184552_100011218427 [0,2,0,0,0,0|0,1,0]=3 5251 B14R1.2335 CC(O)CSc1cc(ccc1O)C=O 62a_100011218427_100000184552 [0,2,0,0,0,0|0,1,0]=3 5252 B14R1.2335 CC(O)CSc1cc(cnc1O)C=O 62a_100010064886_100011218427 [0,2,0,0,0,0|1,1,0]=4 5253 B14R1.2335 CC(O)CSc1cc(cnc1O)C=O 62a_100011218427_100010064886 [0,2,0,0,0,0|1,1,0]=4 5254 B14R1.2335 C[C@@H](O)CSc1cc(ccc1Br)C=O 62a_100009817552_100010146563 [0,2,0,0,0,0|1,1,0]=4 5255 B14R1.2335 C[C@@H](O)CSc1cc(ccc1Br)C=O 62a_100010146563_100009817552 [0,2,0,0,0,0|1,1,0]=4 5256 B14R1.2335 C[C@@H](O)CSc1cc(ccc1Cl)C=O 62a_100009817552_100010209939 [0,2,0,0,0,0|1,1,0]=4 5257 B14R1.2335 C[C@@H](O)CSc1cc(ccc1Cl)C=O 62a_100010209939_100009817552 [0,2,0,0,0,0|1,1,0]=4 5258 B14R1.2335 C[C@@H](O)CSc1cc(ccc1F)C=O 62a_100000211747_100009817552 [0,2,0,0,0,0|1,1,0]=4 5259 B14R1.2335 C[C@@H](O)CSc1cc(ccc1F)C=O 62a_100009817552_100000211747 [0,2,0,0,0,0|1,1,0]=4 5260 B14R1.2335 C[C@@H](O)CSc1cc(ccc1O)C=O 62a_100000184552_100009817552 [0,2,0,0,0,0|0,1,0]=3 5261 B14R1.2335 C[C@@H](O)CSc1cc(ccc1O)C=O 62a_100009817552_100000184552 [0,2,0,0,0,0|0,1,0]=3 5262 B14R1.2335 C[C@@H](O)CSc1cc(cnc1O)C=O 62a_100009817552_100010064886 [0,2,0,0,0,0|1,1,0]=4 5263 B14R1.2335 C[C@@H](O)CSc1cc(cnc1O)C=O 62a_100010064886_100009817552 [0,2,0,0,0,0|1,1,0]=4 5264 B14R1.2335 Cc1ccc(cc1C=CC(C)C)C=O 271570a_100016257149_100000695567 [0,2,0,0,0,0|2,0,0]=4 5265 B14R1.2335 Cc1ccc(cc1C=CC(C)O)C=O 271570a_200011019289_100000695567 [0,2,0,0,0,0|2,0,0]=4 5266 B14R1.2335 Cc1ccc(cc1SCC(C)C)C=O 62a_100000210624_100000695567 [0,2,0,0,0,0|1,1,0]=4 5267 B14R1.2335 Cc1ccc(cc1SCC(C)C)C=O 62a_100000695567_100000210760 [0,2,0,0,0,0|1,1,0]=4 5268 B14R1.2335 Cc1ccc(cc1SCC(C)O)C=O 62a_100000695567_100011218427 [0,2,0,0,0,0|1,1,0]=4 5269 B14R1.2335 Cc1ccc(cc1SCC(C)O)C=O 62a_100011218427_100000695567 [0,2,0,0,0,0|1,1,0]=4 5270 B14R1.2335 Cc1ccc(cc1SCC(F)F)C=O 62a_100000695567_100011934356 [0,2,0,0,0,0|1,1,0]=4 5271 B14R1.2335 Cc1ccc(cc1SCC(F)F)C=O 62a_100011934356_100000695567 [0,2,0,0,0,0|1,1,0]=4 5272 B14R1.2335 Cc1ccc(cc1SC[C@@H](C)O)C=O 62a_100000695567_100009817552 [0,2,0,0,0,0|1,1,0]=4 5273 B14R1.2335 Cc1ccc(cc1SC[C@@H](C)O)C=O 62a_100009817552_100000695567 [0,2,0,0,0,0|1,1,0]=4 5274 B14R1.2335 NC(=O)CSc1cc(ccc1O)C=O 62a_100000184552_100000747473 [0,2,0,0,0,0|0,1,1]=4 5275 B14R1.2335 NC(=O)CSc1cc(ccc1O)C=O 62a_100000747473_100000184552 [0,2,0,0,0,0|0,1,1]=4 5276 B14R1.2335 O=Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100000184552_100020667443 [0,2,0,0,0,0|0,1,1]=4 5277 B14R1.2335 O=Cc1ccc(c(c1)SCC(=O)[O-])O 62a_100020667443_100000184552 [0,2,0,0,0,0|0,1,1]=4 5278 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)Br 62a_100010146563_100011934356 [0,2,0,0,0,0|1,1,0]=4 5279 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)Br 62a_100011934356_100010146563 [0,2,0,0,0,0|1,1,0]=4 5280 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)Cl 62a_100010209939_100011934356 [0,2,0,0,0,0|1,1,0]=4 5281 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)Cl 62a_100011934356_100010209939 [0,2,0,0,0,0|1,1,0]=4 5282 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)F 62a_100000211747_100011934356 [0,2,0,0,0,0|1,1,0]=4 5283 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)F 62a_100011934356_100000211747 [0,2,0,0,0,0|1,1,0]=4 5284 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)O 62a_100000184552_100011934356 [0,2,0,0,0,0|0,1,0]=3 5285 B14R1.2335 O=Cc1ccc(c(c1)SCC(F)F)O 62a_100011934356_100000184552 [0,2,0,0,0,0|0,1,0]=3 5286 B14R1.2335 O=Cc1ccc(c(c1)SC[N+](=O)[O-])O 62a_100000184552_100000761209 [0,2,0,0,0,0|1,1,0]=4 5287 B14R1.2335 O=Cc1cnc(c(c1)SCC(F)F)O 62a_100010064886_100011934356 [0,2,0,0,0,0|1,1,0]=4 5288 B14R1.2335 O=Cc1cnc(c(c1)SCC(F)F)O 62a_100011934356_100010064886 [0,2,0,0,0,0|1,1,0]=4 5289 B14R1.4435 C#CCSc1cc(c(cc1O)O)C=O 62a_100000038162_200010132312 [0,2,0,0,0,0|0,1,1]=4 5290 B14R1.4435 C=CCSc1cc(c(cc1O)O)C=O 62a_100000210623_200010132312 [0,2,0,0,0,0|0,1,1]=4 5291 B14R1.4435 CCCCc1cc(c(cc1C)F)C=O 271570a_100020621405_100010138641 [0,2,0,0,0,0|2,0,0]=4 5292 B14R1.4435 CCCCc1cc(c(cc1F)F)C=O 271570a_100020621405_100009814802 [0,2,0,0,0,0|2,0,0]=4 5293 B14R1.4435 CCCCc1cc(c(cc1F)N)C=O 271570a_100020621405_200010571964 [0,2,0,0,0,0|2,0,0]=4 5294 B14R1.4435 CCCCc1cc(c(cc1F)O)C=O 271570a_100020621405_100010175118 [0,2,0,0,0,0|2,0,0]=4 5295 B14R1.4435 CCCCc1cc(c(cc1O)O)C=O 271570a_100020621405_200010132312 [0,2,0,0,0,0|1,0,0]=3 5296 B14R1.4435 CCCSc1cc(c(cc1C)F)C=O 62a_100000210303_100010138641 [0,2,0,0,0,0|1,1,0]=4 5297 B14R1.4435 CCCSc1cc(c(cc1C)F)C=O 62a_100010138641_100000210303 [0,2,0,0,0,0|1,1,0]=4 5298 B14R1.4435 CCCSc1cc(c(cc1F)F)C=O 62a_100000210303_100009814802 [0,2,0,0,0,0|1,1,0]=4 5299 B14R1.4435 CCCSc1cc(c(cc1F)F)C=O 62a_100009814802_100000210303 [0,2,0,0,0,0|1,1,0]=4 5300 B14R1.4435 CCCSc1cc(c(cc1F)N)C=O 62a_100000210303_200010571964 [0,2,0,0,0,0|1,1,0]=4 5301 B14R1.4435 CCCSc1cc(c(cc1F)N)C=O 62a_200010571964_100000210303 [0,2,0,0,0,0|1,1,0]=4 5302 B14R1.4435 CCCSc1cc(c(cc1F)O)C=O 62a_100000210303_100010175118 [0,2,0,0,0,0|1,1,0]=4 5303 B14R1.4435 CCCSc1cc(c(cc1F)O)C=O 62a_100010175118_100000210303 [0,2,0,0,0,0|1,1,0]=4 5304 B14R1.4435 CCCSc1cc(c(cc1O)O)C=O 62a_100000210303_200010132312 [0,2,0,0,0,0|0,1,0]=3 5305 B14R1.4435 COCSc1cc(c(cc1C)F)C=O 62a_100000766300_100010138641 [0,2,0,0,0,0|1,1,0]=4 5306 B14R1.4435 COCSc1cc(c(cc1C)F)C=O 62a_100010138641_100000766300 [0,2,0,0,0,0|1,1,0]=4 5307 B14R1.4435 COCSc1cc(c(cc1F)F)C=O 62a_100000766300_100009814802 [0,2,0,0,0,0|1,1,0]=4 5308 B14R1.4435 COCSc1cc(c(cc1F)F)C=O 62a_100009814802_100000766300 [0,2,0,0,0,0|1,1,0]=4 5309 B14R1.4435 COCSc1cc(c(cc1F)N)C=O 62a_100000766300_200010571964 [0,2,0,0,0,0|1,1,0]=4 5310 B14R1.4435 COCSc1cc(c(cc1F)N)C=O 62a_200010571964_100000766300 [0,2,0,0,0,0|1,1,0]=4 5311 B14R1.4435 COCSc1cc(c(cc1F)O)C=O 62a_100000766300_100010175118 [0,2,0,0,0,0|1,1,0]=4 5312 B14R1.4435 COCSc1cc(c(cc1F)O)C=O 62a_100010175118_100000766300 [0,2,0,0,0,0|1,1,0]=4 5313 B14R1.4435 COCSc1cc(c(cc1O)O)C=O 62a_100000766300_200010132312 [0,2,0,0,0,0|0,1,0]=3 5314 B14R1.4435 CSCSc1cc(c(cc1C)F)C=O 62a_100010138641_100011218213 [0,2,0,0,0,0|1,1,0]=4 5315 B14R1.4435 CSCSc1cc(c(cc1C)F)C=O 62a_100011218213_100010138641 [0,2,0,0,0,0|1,1,0]=4 5316 B14R1.4435 CSCSc1cc(c(cc1F)F)C=O 62a_100009814802_100011218213 [0,2,0,0,0,0|1,1,0]=4 5317 B14R1.4435 CSCSc1cc(c(cc1F)F)C=O 62a_100011218213_100009814802 [0,2,0,0,0,0|1,1,0]=4 5318 B14R1.4435 CSCSc1cc(c(cc1F)N)C=O 62a_100011218213_200010571964 [0,2,0,0,0,0|1,1,0]=4 5319 B14R1.4435 CSCSc1cc(c(cc1F)N)C=O 62a_200010571964_100011218213 [0,2,0,0,0,0|1,1,0]=4 5320 B14R1.4435 CSCSc1cc(c(cc1F)O)C=O 62a_100010175118_100011218213 [0,2,0,0,0,0|1,1,0]=4 5321 B14R1.4435 CSCSc1cc(c(cc1F)O)C=O 62a_100011218213_100010175118 [0,2,0,0,0,0|1,1,0]=4 5322 B14R1.4435 CSCSc1cc(c(cc1O)O)C=O 62a_100011218213_200010132312 [0,2,0,0,0,0|0,1,0]=3 5323 B14R1.4435 Cc1cc(c(cc1SCCF)C=O)F 62a_100010138641_100011217306 [0,2,0,0,0,0|1,1,0]=4 5324 B14R1.4435 Cc1cc(c(cc1SCCF)C=O)F 62a_100011217306_100010138641 [0,2,0,0,0,0|1,1,0]=4 5325 B14R1.4435 Cc1cc(c(cc1SCCO)C=O)F 62a_100000211926_100010138641 [0,2,0,0,0,0|1,1,0]=4 5326 B14R1.4435 Cc1cc(c(cc1SCCO)C=O)F 62a_100010138641_100000211926 [0,2,0,0,0,0|1,1,0]=4 5327 B14R1.4435 N#CCSc1cc(c(cc1O)O)C=O 62a_100011215382_200010132312 [0,2,0,0,0,0|0,1,1]=4 5328 B14R1.4435 Nc1cc(c(cc1C=O)SCCF)F 62a_100011217306_200010571964 [0,2,0,0,0,0|1,1,0]=4 5329 B14R1.4435 Nc1cc(c(cc1C=O)SCCF)F 62a_200010571964_100011217306 [0,2,0,0,0,0|1,1,0]=4 5330 B14R1.4435 Nc1cc(c(cc1C=O)SCCO)F 62a_100000211926_200010571964 [0,2,0,0,0,0|1,1,0]=4 5331 B14R1.4435 Nc1cc(c(cc1C=O)SCCO)F 62a_200010571964_100000211926 [0,2,0,0,0,0|1,1,0]=4 5332 B14R1.4435 O=CCSc1cc(c(cc1O)O)C=O 62a_200015260668_200010132312 [0,2,0,0,0,0|0,1,1]=4 5333 B14R1.4435 O=Cc1cc(c(cc1F)F)SCCF 62a_100009814802_100011217306 [0,2,0,0,0,0|1,1,0]=4 5334 B14R1.4435 O=Cc1cc(c(cc1F)F)SCCF 62a_100011217306_100009814802 [0,2,0,0,0,0|1,1,0]=4 5335 B14R1.4435 O=Cc1cc(c(cc1F)F)SCCO 62a_100000211926_100009814802 [0,2,0,0,0,0|1,1,0]=4 5336 B14R1.4435 O=Cc1cc(c(cc1F)F)SCCO 62a_100009814802_100000211926 [0,2,0,0,0,0|1,1,0]=4 5337 B14R1.4435 O=Cc1cc(c(cc1O)F)SCCF 62a_100010175118_100011217306 [0,2,0,0,0,0|1,1,0]=4 5338 B14R1.4435 O=Cc1cc(c(cc1O)F)SCCF 62a_100011217306_100010175118 [0,2,0,0,0,0|1,1,0]=4 5339 B14R1.4435 O=Cc1cc(c(cc1O)F)SCCO 62a_100000211926_100010175118 [0,2,0,0,0,0|1,1,0]=4 5340 B14R1.4435 O=Cc1cc(c(cc1O)F)SCCO 62a_100010175118_100000211926 [0,2,0,0,0,0|1,1,0]=4 5341 B14R1.4435 O=Cc1cc(c(cc1O)O)SCCF 62a_100011217306_200010132312 [0,2,0,0,0,0|0,1,0]=3 5342 B14R1.4435 O=Cc1cc(c(cc1O)O)SCCO 62a_100000211926_200010132312 [0,2,0,0,0,0|0,1,0]=3 5343 B14R1.7444 C#CCSc1cc(cc(c1O)F)C=O 62a_100000038162_100010295671 [0,2,0,0,0,0|0,1,1]=4 5344 B14R1.7444 C#CCSc1cc(cc(c1O)O)C=O 62a_100000038162_100000687232 [0,2,0,0,0,0|0,1,1]=4 5345 B14R1.7444 C=CCSc1cc(cc(c1O)F)C=O 62a_100000210623_100010295671 [0,2,0,0,0,0|0,1,1]=4 5346 B14R1.7444 C=CCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000210623 [0,2,0,0,0,0|0,1,1]=4 5347 B14R1.7444 C=CCSc1cc(cc(c1O)O)C=O 62a_100000210623_100000687232 [0,2,0,0,0,0|0,1,1]=4 5348 B14R1.7444 CCCCc1cc(cc(c1C)F)C=O 271570a_100020621405_100010132949 [0,2,0,0,0,0|2,0,0]=4 5349 B14R1.7444 CCCCc1cc(cc(c1F)Br)C=O 271570a_100020621405_100010270029 [0,2,0,0,0,0|2,0,0]=4 5350 B14R1.7444 CCCCc1cc(cc(c1F)F)C=O 271570a_100020621405_200010341283 [0,2,0,0,0,0|2,0,0]=4 5351 B14R1.7444 CCCCc1cc(cc(c1O)F)C=O 271570a_100020621405_100010295671 [0,2,0,0,0,0|1,0,0]=3 5352 B14R1.7444 CCCSc1cc(cc(c1C)F)C=O 62a_100000210303_100010132949 [0,2,0,0,0,0|1,1,0]=4 5353 B14R1.7444 CCCSc1cc(cc(c1C)F)C=O 62a_100010132949_100000210303 [0,2,0,0,0,0|1,1,0]=4 5354 B14R1.7444 CCCSc1cc(cc(c1F)Br)C=O 62a_100000210303_100010270029 [0,2,0,0,0,0|1,1,0]=4 5355 B14R1.7444 CCCSc1cc(cc(c1F)Br)C=O 62a_100010270029_100000210303 [0,2,0,0,0,0|1,1,0]=4 5356 B14R1.7444 CCCSc1cc(cc(c1F)F)C=O 62a_100000210303_200010341283 [0,2,0,0,0,0|1,1,0]=4 5357 B14R1.7444 CCCSc1cc(cc(c1F)F)C=O 62a_200010341283_100000210303 [0,2,0,0,0,0|1,1,0]=4 5358 B14R1.7444 CCCSc1cc(cc(c1O)F)C=O 62a_100000210303_100010295671 [0,2,0,0,0,0|0,1,0]=3 5359 B14R1.7444 CCCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000210303 [0,2,0,0,0,0|0,1,0]=3 5360 B14R1.7444 CCCSc1cc(cc(c1O)O)C=O 62a_100000210303_100000687232 [0,2,0,0,0,0|0,1,0]=3 5361 B14R1.7444 COCSc1cc(cc(c1C)F)C=O 62a_100000766300_100010132949 [0,2,0,0,0,0|1,1,0]=4 5362 B14R1.7444 COCSc1cc(cc(c1C)F)C=O 62a_100010132949_100000766300 [0,2,0,0,0,0|1,1,0]=4 5363 B14R1.7444 COCSc1cc(cc(c1F)Br)C=O 62a_100000766300_100010270029 [0,2,0,0,0,0|1,1,0]=4 5364 B14R1.7444 COCSc1cc(cc(c1F)Br)C=O 62a_100010270029_100000766300 [0,2,0,0,0,0|1,1,0]=4 5365 B14R1.7444 COCSc1cc(cc(c1F)F)C=O 62a_100000766300_200010341283 [0,2,0,0,0,0|1,1,0]=4 5366 B14R1.7444 COCSc1cc(cc(c1F)F)C=O 62a_200010341283_100000766300 [0,2,0,0,0,0|1,1,0]=4 5367 B14R1.7444 COCSc1cc(cc(c1O)F)C=O 62a_100000766300_100010295671 [0,2,0,0,0,0|0,1,0]=3 5368 B14R1.7444 COCSc1cc(cc(c1O)F)C=O 62a_100010295671_100000766300 [0,2,0,0,0,0|0,1,0]=3 5369 B14R1.7444 COCSc1cc(cc(c1O)O)C=O 62a_100000766300_100000687232 [0,2,0,0,0,0|0,1,0]=3 5370 B14R1.7444 CSCSc1cc(cc(c1C)F)C=O 62a_100010132949_100011218213 [0,2,0,0,0,0|1,1,0]=4 5371 B14R1.7444 CSCSc1cc(cc(c1C)F)C=O 62a_100011218213_100010132949 [0,2,0,0,0,0|1,1,0]=4 5372 B14R1.7444 CSCSc1cc(cc(c1F)Br)C=O 62a_100010270029_100011218213 [0,2,0,0,0,0|1,1,0]=4 5373 B14R1.7444 CSCSc1cc(cc(c1F)Br)C=O 62a_100011218213_100010270029 [0,2,0,0,0,0|1,1,0]=4 5374 B14R1.7444 CSCSc1cc(cc(c1F)F)C=O 62a_100011218213_200010341283 [0,2,0,0,0,0|1,1,0]=4 5375 B14R1.7444 CSCSc1cc(cc(c1F)F)C=O 62a_200010341283_100011218213 [0,2,0,0,0,0|1,1,0]=4 5376 B14R1.7444 CSCSc1cc(cc(c1O)F)C=O 62a_100010295671_100011218213 [0,2,0,0,0,0|0,1,0]=3 5377 B14R1.7444 CSCSc1cc(cc(c1O)F)C=O 62a_100011218213_100010295671 [0,2,0,0,0,0|0,1,0]=3 5378 B14R1.7444 CSCSc1cc(cc(c1O)O)C=O 62a_100011218213_100000687232 [0,2,0,0,0,0|0,1,0]=3 5379 B14R1.7444 Cc1c(cc(cc1SCCF)C=O)F 62a_100010132949_100011217306 [0,2,0,0,0,0|1,1,0]=4 5380 B14R1.7444 Cc1c(cc(cc1SCCF)C=O)F 62a_100011217306_100010132949 [0,2,0,0,0,0|1,1,0]=4 5381 B14R1.7444 Cc1c(cc(cc1SCCO)C=O)F 62a_100000211926_100010132949 [0,2,0,0,0,0|1,1,0]=4 5382 B14R1.7444 Cc1c(cc(cc1SCCO)C=O)F 62a_100010132949_100000211926 [0,2,0,0,0,0|1,1,0]=4 5383 B14R1.7444 N#CCSc1cc(cc(c1O)F)C=O 62a_100010295671_100011215382 [0,2,0,0,0,0|0,1,1]=4 5384 B14R1.7444 N#CCSc1cc(cc(c1O)F)C=O 62a_100011215382_100010295671 [0,2,0,0,0,0|0,1,1]=4 5385 B14R1.7444 N#CCSc1cc(cc(c1O)O)C=O 62a_100011215382_100000687232 [0,2,0,0,0,0|0,1,1]=4 5386 B14R1.7444 O=CCSc1cc(cc(c1O)F)C=O 62a_100010295671_200015260668 [0,2,0,0,0,0|0,1,1]=4 5387 B14R1.7444 O=CCSc1cc(cc(c1O)F)C=O 62a_200015260668_100010295671 [0,2,0,0,0,0|0,1,1]=4 5388 B14R1.7444 O=CCSc1cc(cc(c1O)O)C=O 62a_200015260668_100000687232 [0,2,0,0,0,0|0,1,1]=4 5389 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)F)Br 62a_100010270029_100011217306 [0,2,0,0,0,0|1,1,0]=4 5390 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)F)Br 62a_100011217306_100010270029 [0,2,0,0,0,0|1,1,0]=4 5391 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)F)F 62a_100011217306_200010341283 [0,2,0,0,0,0|1,1,0]=4 5392 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)F)F 62a_200010341283_100011217306 [0,2,0,0,0,0|1,1,0]=4 5393 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)O)F 62a_100010295671_100011217306 [0,2,0,0,0,0|0,1,0]=3 5394 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)O)F 62a_100011217306_100010295671 [0,2,0,0,0,0|0,1,0]=3 5395 B14R1.7444 O=Cc1cc(c(c(c1)SCCF)O)O 62a_100011217306_100000687232 [0,2,0,0,0,0|0,1,0]=3 5396 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)F)Br 62a_100000211926_100010270029 [0,2,0,0,0,0|1,1,0]=4 5397 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)F)Br 62a_100010270029_100000211926 [0,2,0,0,0,0|1,1,0]=4 5398 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)F)F 62a_100000211926_200010341283 [0,2,0,0,0,0|1,1,0]=4 5399 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)F)F 62a_200010341283_100000211926 [0,2,0,0,0,0|1,1,0]=4 5400 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)O)F 62a_100000211926_100010295671 [0,2,0,0,0,0|0,1,0]=3 5401 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)O)F 62a_100010295671_100000211926 [0,2,0,0,0,0|0,1,0]=3 5402 B14R1.7444 O=Cc1cc(c(c(c1)SCCO)O)O 62a_100000211926_100000687232 [0,2,0,0,0,0|0,1,0]=3 5403 B14R1.7490 CCCCc1c(ccc(c1F)C=O)F 271570a_100020621405_100000050342 [0,2,0,0,0,0|2,0,0]=4 5404 B14R1.7490 CCCSc1c(ccc(c1F)C=O)C 62a_100000210303_100010381662 [0,2,0,0,0,0|1,1,0]=4 5405 B14R1.7490 CCCSc1c(ccc(c1F)C=O)C 62a_100010381662_100000210303 [0,2,0,0,0,0|1,1,0]=4 5406 B14R1.7490 CCCSc1c(ccc(c1F)C=O)F 62a_100000050342_100000210303 [0,2,0,0,0,0|1,1,0]=4 5407 B14R1.7490 CCCSc1c(ccc(c1F)C=O)F 62a_100000210303_100000050342 [0,2,0,0,0,0|1,1,0]=4 5408 B14R1.7490 COCSc1c(ccc(c1F)C=O)C 62a_100000766300_100010381662 [0,2,0,0,0,0|1,1,0]=4 5409 B14R1.7490 COCSc1c(ccc(c1F)C=O)C 62a_100010381662_100000766300 [0,2,0,0,0,0|1,1,0]=4 5410 B14R1.7490 COCSc1c(ccc(c1F)C=O)F 62a_100000050342_100000766300 [0,2,0,0,0,0|1,1,0]=4 5411 B14R1.7490 COCSc1c(ccc(c1F)C=O)F 62a_100000766300_100000050342 [0,2,0,0,0,0|1,1,0]=4 5412 B14R1.7490 CSCSc1c(ccc(c1F)C=O)C 62a_100010381662_100011218213 [0,2,0,0,0,0|1,1,0]=4 5413 B14R1.7490 CSCSc1c(ccc(c1F)C=O)C 62a_100011218213_100010381662 [0,2,0,0,0,0|1,1,0]=4 5414 B14R1.7490 CSCSc1c(ccc(c1F)C=O)F 62a_100000050342_100011218213 [0,2,0,0,0,0|1,1,0]=4 5415 B14R1.7490 CSCSc1c(ccc(c1F)C=O)F 62a_100011218213_100000050342 [0,2,0,0,0,0|1,1,0]=4 5416 B14R1.7490 Cc1ccc(c(c1SCCF)F)C=O 62a_100010381662_100011217306 [0,2,0,0,0,0|1,1,0]=4 5417 B14R1.7490 Cc1ccc(c(c1SCCF)F)C=O 62a_100011217306_100010381662 [0,2,0,0,0,0|1,1,0]=4 5418 B14R1.7490 Cc1ccc(c(c1SCCO)F)C=O 62a_100000211926_100010381662 [0,2,0,0,0,0|1,1,0]=4 5419 B14R1.7490 Cc1ccc(c(c1SCCO)F)C=O 62a_100010381662_100000211926 [0,2,0,0,0,0|1,1,0]=4 5420 B14R1.7490 O=Cc1ccc(c(c1F)SCCF)F 62a_100000050342_100011217306 [0,2,0,0,0,0|1,1,0]=4 5421 B14R1.7490 O=Cc1ccc(c(c1F)SCCF)F 62a_100011217306_100000050342 [0,2,0,0,0,0|1,1,0]=4 5422 B14R1.7490 O=Cc1ccc(c(c1F)SCCO)F 62a_100000050342_100000211926 [0,2,0,0,0,0|1,1,0]=4 5423 B14R1.7490 O=Cc1ccc(c(c1F)SCCO)F 62a_100000211926_100000050342 [0,2,0,0,0,0|1,1,0]=4 5424 B14R1.2341 COC(=O)c1c(ccc(c1F)C=O)O 271570a_203496583355_100010775667 [0,2,0,0,0,0|2,0,0]=4 5425 B14R1.14946 C=Cc1cc(c(cc1C#N)OCC)O 271570a_100011290941_100009814618 [0,2,0,0,0,0|1,0,1]=4 5426 B14R1.14946 C=Cc1cc(c(cc1C=O)OCC)O 271570a_100011290941_100009812231 [0,2,0,0,0,0|0,0,0]=2 5427 B14R1.14946 CCOc1cc(c(cc1O)SC)C#N 62a_200000210301_100009814618 [0,2,0,0,0,0|1,0,1]=4 5428 B14R1.14946 CCOc1cc(c(cc1O)S[13CH3])C#N 62a_200025704644_100009814618 [0,2,0,0,0,0|1,0,1]=4 5429 B14R1.3200 C=Cc1cc(cc(c1O)OCC)C#N 271570a_100011290941_100000684219 [0,2,0,0,0,0|1,0,1]=4 5430 B14R1.3200 C=Cc1cc(cc(c1O)OCC)C=O 271570a_100011290941_100000183328 [0,2,0,0,0,0|0,0,0]=2 5431 B14R1.3200 CC=Cc1cc(cc(c1O)OC)C=O 271570a_100016259895_100000184534 [0,2,0,0,0,0|1,0,1]=4 5432 B14R1.3200 CCOc1cc(cc(c1O)SC)C#N 62a_200000210301_100000684219 [0,2,0,0,0,0|1,0,1]=4 5433 B14R1.3200 CCOc1cc(cc(c1O)SC)C=O 62a_200000210301_100000183328 [0,2,0,0,0,0|0,0,0]=2 5434 B14R1.3200 CCOc1cc(cc(c1O)S[13CH3])C#N 62a_200025704644_100000684219 [0,2,0,0,0,0|1,0,1]=4 5435 B14R1.3200 CCOc1cc(cc(c1O)S[13CH3])C=O 62a_200025704644_100000183328 [0,2,0,0,0,0|0,0,0]=2 5436 B14R1.3200 CCSc1cc(cc(c1O)OC)C=O 62a_100000210202_100000184534 [0,2,0,0,0,0|0,1,0]=3 5437 B14R1.3200 COc1cc(cc(c1O)SCF)C=O 62a_100015361967_100000184534 [0,2,0,0,0,0|1,1,0]=4 5438 B14R1.14836 CCSc1c(c(cc(c1F)C=O)F)F 62a_100000210202_100009864613 [0,2,0,0,0,0|1,1,0]=4 5439 B14R1.14836 CCSc1c(c(cc(c1F)C=O)F)F 62a_100009864613_100000210202 [0,2,0,0,0,0|1,1,0]=4 5440 B12R1.112 C=Cc1cc(ccc1OCC)C 271570a_100011290941_200000230997 [0,0,1,1,0,0|2,0,0]=4 5441 B12R1.112 C=Cc1cc(ccc1OCC)F 271570a_100011290941_100000171695 [0,0,1,1,0,0|2,0,0]=4 5442 B12R1.71 CCOCc1ccc(cc1)C=O 34a_100121572206_100009816848 [0,0,1,1,0,0|1,0,1]=4 5443 B12R1.1 CCCC=Cc1ccc(cc1)O 271570a_100016258520_100000185759 [0,0,1,1,0,0|2,0,0]=4 5444 B12R1.1 CCOC=Cc1ccc(=O)[nH]c1 271570a_100016256518_100000212171 [0,0,1,1,0,0|1,0,1]=4 5445 B12R1.1 CCOC=Cc1ccc(cc1)Br 271570a_100016256518_100000752885 [0,0,1,1,0,0|2,0,0]=4 5446 B12R1.1 CCOC=Cc1ccc(cc1)C 271570a_100016256518_100000186775 [0,0,1,1,0,0|2,0,0]=4 5447 B12R1.1 CCOC=Cc1ccc(cc1)Cl 271570a_100016256518_100000755918 [0,0,1,1,0,0|2,0,0]=4 5448 B12R1.1 CCOC=Cc1ccc(cc1)F 271570a_100016256518_100000211213 [0,0,1,1,0,0|2,0,0]=4 5449 B12R1.1 CCOC=Cc1ccc(cc1)N 271570a_100016256518_100000185761 [0,0,1,1,0,0|2,0,0]=4 5450 B12R1.1 CCOC=Cc1ccc(cc1)O 271570a_100016256518_100000185759 [0,0,1,1,0,0|1,0,0]=3 5451 B12R1.1 CCOC=Cc1ccc(cn1)O 271570a_100016256518_100000685995 [0,0,1,1,0,0|2,0,0]=4 5452 B12R1.1 CCOC=Cc1ccc(nc1)Br 271570a_100016256518_100009814638 [0,0,1,1,0,0|2,0,0]=4 5453 B12R1.1 CCOC=Cc1ccc(nc1)C 271570a_100016256518_100000751577 [0,0,1,1,0,0|2,0,0]=4 5454 B12R1.1 CCOC=Cc1ccc(nc1)Cl 271570a_100016256518_100000034144 [0,0,1,1,0,0|2,0,0]=4 5455 B12R1.1 CCOC=Cc1ccc(nc1)F 271570a_100016256518_100000748661 [0,0,1,1,0,0|2,0,0]=4 5456 B12R1.1 CCOC=Cc1ccc(nc1)N 271570a_100016256518_100000187370 [0,0,1,1,0,0|2,0,0]=4 5457 B12R1.267 CCCC=Cc1ccc[nH]c1=O 271570a_100016258520_100000050042 [0,0,1,1,0,0|2,0,0]=4 5458 B12R1.267 CCOC=Cc1c[nH]ccc1=O 271570a_100016256518_100009998708 [0,0,1,1,0,0|2,0,0]=4 5459 B12R1.267 CCOC=Cc1ccc[nH]c1=O 271570a_100016256518_100000050042 [0,0,1,1,0,0|1,0,0]=3 5460 B12R1.267 CCOC=Cc1ccccc1Br 271570a_100016256518_100000695589 [0,0,1,1,0,0|2,0,0]=4 5461 B12R1.267 CCOC=Cc1ccccc1C 271570a_100016256518_100000210755 [0,0,1,1,0,0|2,0,0]=4 5462 B12R1.267 CCOC=Cc1ccccc1Cl 271570a_100016256518_100000764095 [0,0,1,1,0,0|2,0,0]=4 5463 B12R1.267 CCOC=Cc1ccccc1F 271570a_100016256518_100011215700 [0,0,1,1,0,0|2,0,0]=4 5464 B12R1.267 CCOC=Cc1ccccc1N 271570a_100016256518_100000210017 [0,0,1,1,0,0|2,0,0]=4 5465 B12R1.267 CCOC=Cc1ccccc1O 271570a_100016256518_100000739446 [0,0,1,1,0,0|1,0,1]=4 5466 B12R1.267 CCOC=Cc1cccnc1Br 271570a_100016256518_100010202626 [0,0,1,1,0,0|2,0,0]=4 5467 B12R1.267 CCOC=Cc1cccnc1C 271570a_100016256518_100000751574 [0,0,1,1,0,0|2,0,0]=4 5468 B12R1.267 CCOC=Cc1cccnc1Cl 271570a_100016256518_100000036424 [0,0,1,1,0,0|2,0,0]=4 5469 B12R1.267 CCOC=Cc1cccnc1F 271570a_100016256518_100009816115 [0,0,1,1,0,0|2,0,0]=4 5470 B12R1.267 CCOC=Cc1cccnc1N 271570a_100016256518_100000045569 [0,0,1,1,0,0|2,0,0]=4 5471 B12R1.267 CCOC=Cc1ccn[nH]c1=O 271570a_100016256518_100000087129 [0,0,1,1,0,0|2,0,0]=4 5472 B12R1.267 CCOC=Cc1ncc[nH]c1=O 271570a_100016256518_100000763361 [0,0,1,1,0,0|2,0,0]=4 5473 B12R1.455 CCOC=Cc1coc(c1)C=O 271570a_100016256518_100000747035 [0,0,1,1,0,0|0,0,2]=4 5474 B12R1.455 CCOC=Cc1csc(c1)C=O 271570a_100016256518_100000211722 [0,0,1,1,0,0|0,1,1]=4 5475 B12R1.455 CCOC=Cc1csc(c1)CO 271570a_100016256518_100000238369 [0,0,1,1,0,0|0,1,1]=4 5476 B12R1.312 C=Cc1ccc(o1)C(=O)OCC 271570a_100011290941_200000170220 [0,0,1,1,0,0|2,0,0]=4 5477 B12R2.24 Oc1ccc2c(c1)CCCO2 271570a_203496583355_100011393166 [1,0,0,1,0,0|1,0,1]=4 5478 B12R2.24 Oc1ccc2c(c1)NCCO2 271570a_203496583355_100000708519 [1,0,0,1,0,0|1,0,1]=4 5479 B12R2.24 Oc1ccc2c(c1)OCCC2 271570a_203496583355_100010700467 [1,0,0,1,0,0|1,0,1]=4 5480 B12R2.24 Oc1ccc2c(c1)OCCN2 271570a_203496583355_100012355470 [1,0,0,1,0,0|1,0,1]=4 5481 B12R2.24 Oc1ccc2c(c1)OCCO2 271570a_203496583355_100000184379 [1,0,0,1,0,0|0,0,1]=3 5482 B12R2.221 Nc1ccc(c2c1CCC2)O 271570a_203496583355_200010751103 [1,0,0,1,0,0|2,0,0]=4 5483 B12R2.1316 Cc1ccc(c(c1)C2CC2)O 271570a_100011220607_100000765521 [1,0,0,1,0,0|1,0,1]=4 5484 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_100011220607_100011534360 [1,0,0,1,0,0|2,0,0]=4 5485 B12R2.1316 Nc1ccc(c(c1)C2CC2)O 271570a_203496583355_100010281208 [1,0,0,1,0,0|2,0,0]=4 5486 B12R2.1316 Oc1ccc(c(c1)C2CC2)O 271570a_100011220607_100009813629 [1,0,0,1,0,0|1,0,1]=4 5487 B12R2.1316 Oc1ccc(cc1C2CC2)Br 271570a_100011220607_100012355227 [1,0,0,1,0,0|2,0,0]=4 5488 B12R2.1316 Oc1ccc(cc1C2CC2)Cl 271570a_100011220607_100011356953 [1,0,0,1,0,0|2,0,0]=4 5489 B12R2.1316 Oc1ccc(cc1C2CC2)F 271570a_100011220607_100000211999 [1,0,0,1,0,0|2,0,0]=4 5490 B12R2.43 C=Cc1cccc(c1)C2CC2 271570a_100011290941_100009816567 [1,0,0,1,0,0|2,0,0]=4 5491 B12R2.43 O=Cc1cc(ccn1)C2CC2 271570a_100011220607_100011998288 [1,0,0,1,0,0|2,0,0]=4 5492 B12R2.43 O=Cc1cccc(c1)C2CC2 271570a_100011220607_100000014684 [1,0,0,1,0,0|1,0,0]=3 5493 B12R2.43 O=Cc1cccc(n1)C2CC2 271570a_100011220607_100000688028 [1,0,0,1,0,0|2,0,0]=4 5494 B12R2.43 O=Cc1ccnc(c1)C2CC2 271570a_100011220607_100011290808 [1,0,0,1,0,0|2,0,0]=4 5495 B12R2.43 O=Cc1cncc(c1)C2CC2 271570a_100011220607_100000687066 [1,0,0,1,0,0|2,0,0]=4 5496 B12R2.44 C=Cc1ccc2c(c1)CCC2 271570a_100011290941_100000745594 [1,0,0,1,0,0|2,0,0]=4 5497 B12R2.44 C=Cc1ccc2c(c1)NCC2 271570a_100011290941_100000754641 [1,0,0,1,0,0|2,0,0]=4 5498 B12R2.44 C=Cc1ccc2c(c1)OCC2 271570a_100011290941_100009818566 [1,0,0,1,0,0|1,0,0]=3 5499 B12R2.44 C=Cc1ccc2c(c1)OCO2 271570a_100011290941_100000688060 [1,0,0,1,0,0|2,0,0]=4 5500 B12R2.44 CSc1ccc2c(c1)OCC2 62a_100009818566_200000210301 [1,0,0,1,0,0|2,0,0]=4 5501 B12R2.44 CSc1ccc2c(c1)OCC2 62a_200000210301_100009818566 [1,0,0,1,0,0|2,0,0]=4 5502 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_100009818566_200025704644 [1,0,0,1,0,0|2,0,0]=4 5503 B12R2.44 [13CH3]Sc1ccc2c(c1)OCC2 62a_200025704644_100009818566 [1,0,0,1,0,0|2,0,0]=4 5504 B12R2.315 C=Cc1cccc2c1CCC2 271570a_100011290941_100010343934 [1,0,0,1,0,0|2,0,0]=4 5505 B12R2.315 C=Cc1cccc2c1CCN2 271570a_100011290941_100009817896 [1,0,0,1,0,0|2,0,0]=4 5506 B12R2.315 C=Cc1cccc2c1CCO2 271570a_100011290941_100009819624 [1,0,0,1,0,0|1,0,0]=3 5507 B12R2.315 C=Cc1cccc2c1OCO2 271570a_100011290941_100009814252 [1,0,0,1,0,0|2,0,0]=4 5508 B12R2.315 CNc1cccc2c1CCO2 2230a_100000084147_200000210301 [1,0,0,1,0,0|2,0,0]=4 5509 B12R2.315 CNc1cccc2c1CCO2 34a_100000084147_200000210301 [1,0,0,1,0,0|2,0,0]=4 5510 B12R2.315 COc1cccc2c1CCO2 34a_100000090053_200000210301 [1,0,0,1,0,0|2,0,0]=4 5511 B12R2.315 COc1cccc2c1CCO2 7a_100000090053_200000210301 [1,0,0,1,0,0|2,0,0]=4 5512 B12R2.315 CSc1cccc2c1CCO2 62a_100009819624_200000210301 [1,0,0,1,0,0|2,0,0]=4 5513 B12R2.315 CSc1cccc2c1CCO2 62a_200000210301_100009819624 [1,0,0,1,0,0|2,0,0]=4 5514 B12R2.315 [13CH3]Nc1cccc2c1CCO2 2230a_100000084147_200025704644 [1,0,0,1,0,0|2,0,0]=4 5515 B12R2.315 [13CH3]Nc1cccc2c1CCO2 34a_100000084147_200025704644 [1,0,0,1,0,0|2,0,0]=4 5516 B12R2.315 [13CH3]Oc1cccc2c1CCO2 34a_100000090053_200025704644 [1,0,0,1,0,0|2,0,0]=4 5517 B12R2.315 [13CH3]Oc1cccc2c1CCO2 7a_100000090053_200025704644 [1,0,0,1,0,0|2,0,0]=4 5518 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_100009819624_200025704644 [1,0,0,1,0,0|2,0,0]=4 5519 B12R2.315 [13CH3]Sc1cccc2c1CCO2 62a_200025704644_100009819624 [1,0,0,1,0,0|2,0,0]=4 5520 B14R2.134 C=Cc1ccc2c(c1)OC(CN2)C 271570a_100011290941_200010108538 [0,1,0,1,0,0|2,0,0]=4 5521 B14R2.161 Cc1ccc(cc1SC2CC2)C=O 62a_100000695567_100000211595 [0,1,0,1,0,0|1,1,0]=4 5522 B14R2.161 O=Cc1ccc(c(c1)SC2CC2)Br 62a_100010146563_100000211595 [0,1,0,1,0,0|1,1,0]=4 5523 B14R2.161 O=Cc1ccc(c(c1)SC2CC2)Cl 62a_100010209939_100000211595 [0,1,0,1,0,0|1,1,0]=4 5524 B14R2.161 O=Cc1ccc(c(c1)SC2CC2)F 62a_100000211747_100000211595 [0,1,0,1,0,0|1,1,0]=4 5525 B14R2.161 O=Cc1ccc(c(c1)SC2CC2)O 62a_100000184552_100000211595 [0,1,0,1,0,0|0,1,0]=3 5526 B14R2.161 O=Cc1cnc(c(c1)SC2CC2)O 62a_100010064886_100000211595 [0,1,0,1,0,0|1,1,0]=4 5527 B14R2.3303 C=Cc1ccc2c(c1)OC(O2)(C)C 271570a_100011290941_100010187540 [0,1,0,1,0,0|1,0,0]=3 5528 B14R2.3303 C=Cc1ccc2c(c1)OC(O2)(F)F 271570a_100011290941_100009813929 [0,1,0,1,0,0|2,0,0]=4 5529 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 2230a_100000217601_200025704644 [0,1,0,1,0,0|2,0,0]=4 5530 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 34a_100000217601_200025704644 [0,1,0,1,0,0|2,0,0]=4 5531 B14R2.3303 CC1(Oc2ccc(cc2O1)N[13CH3])C 7a_100000217601_200025704644 [0,1,0,1,0,0|2,0,0]=4 5532 B14R2.3303 CC1(Oc2ccc(cc2O1)S[13CH3])C 62a_200025704644_100010187540 [0,1,0,1,0,0|2,0,0]=4 5533 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 2230a_100000217601_200000210301 [0,1,0,1,0,0|2,0,0]=4 5534 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 34a_100000217601_200000210301 [0,1,0,1,0,0|2,0,0]=4 5535 B14R2.3303 CNc1ccc2c(c1)OC(O2)(C)C 7a_100000217601_200000210301 [0,1,0,1,0,0|2,0,0]=4 5536 B14R2.3303 CSc1ccc2c(c1)OC(O2)(C)C 62a_200000210301_100010187540 [0,1,0,1,0,0|2,0,0]=4 5537 B14R2.601 CC(=O)c1ccc2c(c1)CC(O2)C 1458a_100000189409_200000210301 [0,1,0,1,0,0|1,0,0]=3 5538 B14R2.601 CC(=O)c1ccc2nc(oc2c1)C 1458a_100000688415_200000210301 [0,1,0,1,0,0|1,0,1]=4 5539 B14R2.601 CC(=O)c1ccc2oc(cc2c1)C 1458a_100000068196_200000210301 [0,1,0,1,0,0|1,0,1]=4 5540 B14R2.601 CC(=O)c1ccc2oc(nc2c1)C 1458a_100000709727_200000210301 [0,1,0,1,0,0|1,0,1]=4 5541 B14R2.601 CC1Cc2cc(ccc2O1)C(=O)[13CH3] 1458a_100000189409_200025704644 [0,1,0,1,0,0|1,0,0]=3 5542 B14R2.601 Cc1cc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000068196_200025704644 [0,1,0,1,0,0|1,0,1]=4 5543 B14R2.601 Cc1nc2cc(ccc2o1)C(=O)[13CH3] 1458a_100000709727_200025704644 [0,1,0,1,0,0|1,0,1]=4 5544 B14R2.601 Cc1nc2ccc(cc2o1)C(=O)[13CH3] 1458a_100000688415_200025704644 [0,1,0,1,0,0|1,0,1]=4 5545 B14R2.781 C=C(C)c1ccc2c(c1)CCCO2 271570a_100000694244_100011393166 [0,1,0,1,0,0|2,0,0]=4 5546 B14R2.781 C=C(C)c1ccc2c(c1)NCCO2 271570a_100000694244_100000708519 [0,1,0,1,0,0|2,0,0]=4 5547 B14R2.781 C=C(C)c1ccc2c(c1)OCCC2 271570a_100000694244_100010700467 [0,1,0,1,0,0|2,0,0]=4 5548 B14R2.781 C=C(C)c1ccc2c(c1)OCCN2 271570a_100000694244_100012355470 [0,1,0,1,0,0|2,0,0]=4 5549 B14R2.781 C=C(C)c1ccc2c(c1)OCCO2 271570a_100000694244_100000184379 [0,1,0,1,0,0|1,0,0]=3 5550 B14R2.781 CC(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200000210301 [0,1,0,1,0,0|2,0,0]=4 5551 B14R2.781 CC(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200000210301 [0,1,0,1,0,0|1,0,0]=3 5552 B14R2.781 CC(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200000210301 [0,1,0,1,0,0|0,0,0]=2 5553 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCC2 1458a_100000199106_200025704644 [0,1,0,1,0,0|2,0,0]=4 5554 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)CCCO2 1458a_100011398765_200025704644 [0,1,0,1,0,0|1,0,0]=3 5555 B14R2.781 [13CH3]C(=O)c1ccc2c(c1)OCCO2 1458a_100000182659_200025704644 [0,1,0,1,0,0|0,0,0]=2 5556 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)Br 271570a_100011220607_100010146556 [0,1,0,1,0,0|2,0,0]=4 5557 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)C 271570a_100011220607_100011934287 [0,1,0,1,0,0|2,0,0]=4 5558 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)F 271570a_100011220607_100000239719 [0,1,0,1,0,0|2,0,0]=4 5559 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)N 271570a_100011220607_100012029215 [0,1,0,1,0,0|2,0,0]=4 5560 B14R2.955 CC(=O)c1ccc(c(c1)C2CC2)O 271570a_100011220607_100011772453 [0,1,0,1,0,0|1,0,0]=3 5561 B14R2.955 Cc1ccc(cc1C2CC2)C(=O)N 271570a_100011220607_100000186401 [0,1,0,1,0,0|2,0,0]=4 5562 B14R2.955 NC(=O)c1ccc(c(c1)C2CC2)F 271570a_100011220607_100011202321 [0,1,0,1,0,0|2,0,0]=4 5563 B14R2.8653 CC(=O)c1ccc(c2c1OCO2)O 271570a_203496583355_100021123059 [0,1,0,1,0,0|1,0,0]=3 5564 B14R2.1801 C=Cc1ccc2c(c1)OCCC2=O 271570a_100011290941_100000696939 [0,1,0,1,0,0|1,0,1]=4 5565 B14R2.1801 C=Cc1ccc2c(c1)OCCC2O 271570a_100011290941_100012676011 [0,1,0,1,0,0|1,0,0]=3 5566 B14R2.1801 C=Cc1ccc2c(c1)OCCN2C 271570a_100011290941_100009812848 [0,1,0,1,0,0|2,0,0]=4 5567 B14R2.1801 C=Cc1ccc2c(c1)OCC[C@H]2N 271570a_100011290941_100020639266 [0,1,0,1,0,0|2,0,0]=4 5568 B14R2.1801 CSc1ccc2c(c1)OCCC2O 62a_100012676011_200000210301 [0,1,0,1,0,0|2,0,0]=4 5569 B14R2.1801 CSc1ccc2c(c1)OCCC2O 62a_200000210301_100012676011 [0,1,0,1,0,0|2,0,0]=4 5570 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2O 62a_100012676011_200025704644 [0,1,0,1,0,0|2,0,0]=4 5571 B14R2.1801 [13CH3]Sc1ccc2c(c1)OCCC2O 62a_200025704644_100012676011 [0,1,0,1,0,0|2,0,0]=4 5572 B14R2.2400 C=Cc1ccc2c(c1)OCCCO2 271570a_100011290941_100000739260 [0,1,0,1,0,0|1,0,0]=3 5573 B14R2.2400 CNc1ccc2c(c1)OCCCO2 2230a_100000181267_200000210301 [0,1,0,1,0,0|2,0,0]=4 5574 B14R2.2400 CNc1ccc2c(c1)OCCCO2 34a_100000181267_200000210301 [0,1,0,1,0,0|2,0,0]=4 5575 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_100000739260_200000210301 [0,1,0,1,0,0|2,0,0]=4 5576 B14R2.2400 CSc1ccc2c(c1)OCCCO2 62a_200000210301_100000739260 [0,1,0,1,0,0|2,0,0]=4 5577 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 2230a_100000181267_200025704644 [0,1,0,1,0,0|2,0,0]=4 5578 B14R2.2400 [13CH3]Nc1ccc2c(c1)OCCCO2 34a_100000181267_200025704644 [0,1,0,1,0,0|2,0,0]=4 5579 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_100000739260_200025704644 [0,1,0,1,0,0|2,0,0]=4 5580 B14R2.2400 [13CH3]Sc1ccc2c(c1)OCCCO2 62a_200025704644_100000739260 [0,1,0,1,0,0|2,0,0]=4 5581 B14R2.3519 CNc1ccc(cc1C2CC2)C=O 271570a_100011220607_200010290468 [0,1,0,1,0,0|2,0,0]=4 5582 B14R2.3519 COc1ccc(cc1C2CC2)C=O 271570a_100011220607_100000173361 [0,1,0,1,0,0|1,0,0]=3 5583 B14R2.3519 COc1ccc(nc1C2CC2)C=O 271570a_100011220607_100010174741 [0,1,0,1,0,0|2,0,0]=4 5584 B14R2.3519 COc1cnc(cc1C2CC2)C=O 271570a_100011220607_100010893078 [0,1,0,1,0,0|2,0,0]=4 5585 B14R2.3519 COc1ncc(cc1C2CC2)C=O 271570a_100011220607_200010064893 [0,1,0,1,0,0|2,0,0]=4 5586 B14R2.3519 N#Cc1ccc(cc1C2CC2)C=O 271570a_100011220607_100012355660 [0,1,0,1,0,0|2,0,0]=4 5587 B14R2.3519 O=Cc1ccc(c(c1)C2CC2)C=O 271570a_100011220607_100015597013 [0,1,0,1,0,0|1,0,1]=4 5588 B14R2.112 C=C=Cc1ccc2c(c1)CCCO2 271570a_100015277604_100011393166 [0,1,0,1,0,0|2,0,0]=4 5589 B14R2.112 C=C=Cc1ccc2c(c1)NCCO2 271570a_100015277604_100000708519 [0,1,0,1,0,0|2,0,0]=4 5590 B14R2.112 C=C=Cc1ccc2c(c1)OCCC2 271570a_100015277604_100010700467 [0,1,0,1,0,0|2,0,0]=4 5591 B14R2.112 C=C=Cc1ccc2c(c1)OCCN2 271570a_100015277604_100012355470 [0,1,0,1,0,0|2,0,0]=4 5592 B14R2.112 C=C=Cc1ccc2c(c1)OCCO2 271570a_100015277604_100000184379 [0,1,0,1,0,0|1,0,0]=3 5593 B14R2.112 CC=Cc1ccc2c(c1)CCCO2 271570a_100016259895_100011393166 [0,1,0,1,0,0|2,0,0]=4 5594 B14R2.112 CC=Cc1ccc2c(c1)NCCO2 271570a_100016259895_100000708519 [0,1,0,1,0,0|2,0,0]=4 5595 B14R2.112 CC=Cc1ccc2c(c1)OCCC2 271570a_100016259895_100010700467 [0,1,0,1,0,0|2,0,0]=4 5596 B14R2.112 CC=Cc1ccc2c(c1)OCCN2 271570a_100016259895_100012355470 [0,1,0,1,0,0|2,0,0]=4 5597 B14R2.112 CC=Cc1ccc2c(c1)OCCO2 271570a_100016259895_100000184379 [0,1,0,1,0,0|1,0,0]=3 5598 B14R2.112 CCNc1ccc2c(c1)OCCO2 2230a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 5599 B14R2.112 CCNc1ccc2c(c1)OCCO2 34a_100020630400_100000210202 [0,1,0,1,0,0|1,0,1]=4 5600 B14R2.112 CCOc1ccc2c(c1)OCCO2 34a_100000234341_100000210202 [0,1,0,1,0,0|1,0,1]=4 5601 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100000210202_100011216881 [0,1,0,1,0,0|1,0,1]=4 5602 B14R2.112 CCSc1ccc2c(c1)OCCO2 62a_100011216881_100000210202 [0,1,0,1,0,0|1,0,1]=4 5603 B14R2.112 CNCc1ccc2c(c1)OCCO2 207a_100102657272_100000184955 [0,1,0,1,0,0|1,0,1]=4 5604 B14R2.112 CNCc1ccc2c(c1)OCCO2 2230a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 5605 B14R2.112 CNCc1ccc2c(c1)OCCO2 270004a_106832991635_100000184955 [0,1,0,1,0,0|1,0,1]=4 5606 B14R2.112 CNCc1ccc2c(c1)OCCO2 34a_100000684186_200000210301 [0,1,0,1,0,0|1,0,1]=4 5607 B14R2.112 COCc1ccc2c(c1)OCCO2 34a_100000745213_200000210301 [0,1,0,1,0,0|0,0,2]=4 5608 B14R2.112 FCNc1ccc2c(c1)OCCO2 34a_100020630400_100015361967 [0,1,0,1,0,0|1,0,1]=4 5609 B14R2.112 FCOc1ccc2c(c1)OCCO2 34a_100000234341_100015361967 [0,1,0,1,0,0|1,0,1]=4 5610 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100011216881_100015361967 [0,1,0,1,0,0|1,0,1]=4 5611 B14R2.112 FCSc1ccc2c(c1)OCCO2 62a_100015361967_100011216881 [0,1,0,1,0,0|1,0,1]=4 5612 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 2230a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 5613 B14R2.112 [13CH3]NCc1ccc2c(c1)OCCO2 34a_100000684186_200025704644 [0,1,0,1,0,0|1,0,1]=4 5614 B14R2.112 [13CH3]OCc1ccc2c(c1)OCCO2 34a_100000745213_200025704644 [0,1,0,1,0,0|0,0,2]=4 5615 B14R2.583 CCSc1cc2cn[nH]c2cc1O 62a_100000210202_100010079831 [0,1,0,1,0,0|1,1,0]=4 5616 B14R2.3304 C=Cc1ccc2oc(cc2c1)CC 271570a_100011290941_200010233821 [0,1,0,1,0,0|2,0,0]=4 5617 B14R2.3304 C=Cc1ccc2oc(nc2c1)CC 271570a_100011290941_100009817032 [0,1,0,1,0,0|2,0,0]=4 5618 B14R2.142 C=Cc1ccc2c(c1)C(=O)CCO2 271570a_100011290941_100000243215 [0,1,0,1,0,0|2,0,0]=4 5619 B14R2.142 C=Cc1ccc2c(c1)C(CCO2)O 271570a_100011290941_100000760992 [0,1,0,1,0,0|2,0,0]=4 5620 B14R2.142 C=Cc1ccc2c(c1)[C@H](CCO2)N 271570a_100011290941_100020639276 [0,1,0,1,0,0|2,0,0]=4 5621 B14R2.1745 C=Cc1ccc(c2c1CCC2=O)O 271570a_100011290941_100009816527 [0,1,0,1,0,0|2,0,0]=4 5622 B14R2.1128 C=Cc1cc2c(cc1F)OCCN2 271570a_100011290941_100012568745 [0,1,0,1,0,0|2,0,0]=4 5623 B14R2.1128 CNc1cc2c(cc1Cl)OCCO2 34a_100000739234_200000210301 [0,1,0,1,0,0|2,0,0]=4 5624 B14R2.1128 [13CH3]Nc1cc2c(cc1Cl)OCCO2 34a_100000739234_200025704644 [0,1,0,1,0,0|2,0,0]=4 5625 B14R2.2292 Cc1cc(c(cc1C2CC2)C=O)F 271570a_100011220607_100010138641 [0,1,0,1,0,0|2,0,0]=4 5626 B14R2.2292 Nc1cc(c(cc1C=O)C2CC2)F 271570a_100011220607_200010571964 [0,1,0,1,0,0|2,0,0]=4 5627 B14R2.2292 O=Cc1cc(c(cc1F)F)C2CC2 271570a_100011220607_100009814802 [0,1,0,1,0,0|2,0,0]=4 5628 B14R2.2292 O=Cc1cc(c(cc1O)F)C2CC2 271570a_100011220607_100010175118 [0,1,0,1,0,0|2,0,0]=4 5629 B14R2.2292 O=Cc1cc(c(cc1O)O)C2CC2 271570a_100011220607_200010132312 [0,1,0,1,0,0|1,0,0]=3 5630 B14R2.9839 Cc1c(cc(cc1C2CC2)C=O)F 271570a_100011220607_100010132949 [0,1,0,1,0,0|2,0,0]=4 5631 B14R2.9839 O=Cc1cc(c(c(c1)C2CC2)F)Br 271570a_100011220607_100010270029 [0,1,0,1,0,0|2,0,0]=4 5632 B14R2.9839 O=Cc1cc(c(c(c1)C2CC2)F)F 271570a_100011220607_200010341283 [0,1,0,1,0,0|2,0,0]=4 5633 B14R2.9839 O=Cc1cc(c(c(c1)C2CC2)O)F 271570a_100011220607_100010295671 [0,1,0,1,0,0|1,0,0]=3 5634 B14R2.92 C=Cc1ccc2c(c1C)NCCO2 271570a_100011290941_100010271709 [0,1,0,1,0,0|2,0,0]=4 5635 B14R2.92 C=Cc1ccc2c(c1C)OCCO2 271570a_100011290941_100010072848 [0,1,0,1,0,0|1,0,0]=3 5636 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_100010072848_200000210301 [0,1,0,1,0,0|2,0,0]=4 5637 B14R2.92 CSc1ccc2c(c1C)OCCO2 62a_200000210301_100010072848 [0,1,0,1,0,0|2,0,0]=4 5638 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_100010072848_200025704644 [0,1,0,1,0,0|2,0,0]=4 5639 B14R2.92 Cc1c(ccc2c1OCCO2)S[13CH3] 62a_200025704644_100010072848 [0,1,0,1,0,0|2,0,0]=4 5640 B14R2.16630 O=Cc1ccc(c(c1F)C2CC2)F 271570a_100011220607_100000050342 [0,1,0,1,0,0|2,0,0]=4 5641 B10R1.5 CCSc1ccoc1C=O 62a_100000210202_100000756499 [1,0,0,0,1,0|1,1,0]=4 5642 B10R1.5 CCSc1ccoc1C=O 62a_100000756499_100000210202 [1,0,0,0,1,0|1,1,0]=4 5643 B10R1.5 CCSc1ccsc1C=O 62a_100000210202_100000766043 [1,0,0,0,1,0|1,1,0]=4 5644 B10R1.5 CCSc1ccsc1C=O 62a_100000766043_100000210202 [1,0,0,0,1,0|1,1,0]=4 5645 B10R1.5 CCSc1cscc1C=O 62a_100000210202_100000685484 [1,0,0,0,1,0|1,1,0]=4 5646 B10R1.5 CCSc1cscc1C=O 62a_100000685484_100000210202 [1,0,0,0,1,0|1,1,0]=4 5647 B10R1.5 CCSc1sccc1C=O 62a_100000210202_100009816921 [1,0,0,0,1,0|1,1,0]=4 5648 B10R1.5 CCSc1sccc1C=O 62a_100009816921_100000210202 [1,0,0,0,1,0|1,1,0]=4 5649 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000210202_100000720742 [1,0,0,0,1,0|1,1,0]=4 5650 B10R1.96 CCSc1c[nH]c(c1)C=O 62a_100000720742_100000210202 [1,0,0,0,1,0|1,1,0]=4 5651 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100000210202_100009882863 [1,0,0,0,1,0|1,1,0]=4 5652 B10R1.96 CCSc1cc(c[nH]1)C=O 62a_100009882863_100000210202 [1,0,0,0,1,0|1,1,0]=4 5653 B10R1.96 CCSc1cc(cs1)C=O 62a_100000210202_100000737087 [1,0,0,0,1,0|1,1,0]=4 5654 B10R1.96 CCSc1cc(cs1)C=O 62a_100000737087_100000210202 [1,0,0,0,1,0|1,1,0]=4 5655 B10R1.96 CCSc1ccc([nH]1)C=O 62a_100000210202_100009875417 [1,0,0,0,1,0|1,1,0]=4 5656 B10R1.96 CCSc1ccc(o1)C=O 62a_100000210202_100000186757 [1,0,0,0,1,0|1,1,0]=4 5657 B10R1.96 CCSc1ccc(s1)C=O 62a_100000179771_100000210202 [1,0,0,0,1,0|1,1,0]=4 5658 B10R1.96 CCSc1ccc(s1)C=O 62a_100000210202_100000179771 [1,0,0,0,1,0|1,1,0]=4 5659 B10R1.96 CCSc1coc(c1)C=O 62a_100000210202_100000747035 [1,0,0,0,1,0|1,1,0]=4 5660 B10R1.96 CCSc1coc(c1)C=O 62a_100000747035_100000210202 [1,0,0,0,1,0|1,1,0]=4 5661 B10R1.96 CCSc1csc(c1)C=O 62a_100000210202_100000211722 [1,0,0,0,1,0|1,1,0]=4 5662 B10R1.96 CCSc1csc(c1)C=O 62a_100000211722_100000210202 [1,0,0,0,1,0|1,1,0]=4 5663 B12R1.114 C=Cc1ccc(c(c1)C)OCC 271570a_100011290941_100011308936 [0,0,0,0,1,1|2,0,0]=4 5664 B12R1.114 C=Cc1ccc(c(c1)F)OCC 271570a_100011290941_200000171753 [0,0,0,0,1,1|2,0,0]=4 5665 B12R1.114 C=Cc1ccc(c(c1)N)OCC 271570a_100011290941_100000751366 [0,0,0,0,1,1|2,0,0]=4 5666 B12R1.114 C=Cc1cnc(c(c1)C)OCC 271570a_100011290941_100012351028 [0,0,0,0,1,1|2,0,0]=4 5667 B12R1.114 C=Cc1cnc(c(c1)N)OCC 271570a_100011290941_100011433076 [0,0,0,0,1,1|2,0,0]=4 5668 B12R1.114 CC=Cc1ccc(cc1O)C=O 271570a_100016259895_100000041418 [0,0,0,0,1,1|1,0,1]=4 5669 B12R1.114 CCOc1ccc(cc1O)C#N 271570a_203496583355_100000189309 [0,0,0,0,1,1|1,0,1]=4 5670 B12R1.114 CCOc1ccc(cc1O)C=O 271570a_203496583355_100000173028 [0,0,0,0,1,1|0,0,0]=2 5671 B12R1.114 CCOc1ccc(cc1O)CO 271570a_203496583355_200011800839 [0,0,0,0,1,1|0,0,2]=4 5672 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000210202_100000765772 [0,0,0,0,1,1|1,1,0]=4 5673 B12R1.114 CCSc1ccc(cc1C)C=O 62a_100000765772_100000210202 [0,0,0,0,1,1|1,1,0]=4 5674 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000210202_100000686674 [0,0,0,0,1,1|1,1,0]=4 5675 B12R1.114 CCSc1ccc(cc1F)C=O 62a_100000686674_100000210202 [0,0,0,0,1,1|1,1,0]=4 5676 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000041418_100000210202 [0,0,0,0,1,1|0,1,0]=3 5677 B12R1.114 CCSc1ccc(cc1O)C=O 62a_100000210202_100000041418 [0,0,0,0,1,1|0,1,0]=3 5678 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100000210202_100009814806 [0,0,0,0,1,1|1,1,0]=4 5679 B12R1.114 CCSc1cnc(cc1C)C=O 62a_100009814806_100000210202 [0,0,0,0,1,1|1,1,0]=4 5680 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000070293_100000210202 [0,0,0,0,1,1|1,1,0]=4 5681 B12R1.114 CCSc1ncc(cc1C)C=O 62a_100000210202_100000070293 [0,0,0,0,1,1|1,1,0]=4 5682 B12R1.114 CCSc1ncc(cc1F)C=O 62a_100000210202_100009866847 [0,0,0,0,1,1|1,1,0]=4 5683 B12R1.114 CCSc1ncc(cc1F)C=O 62a_100009866847_100000210202 [0,0,0,0,1,1|1,1,0]=4 5684 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100000041418_100015361967 [0,0,0,0,1,1|1,1,0]=4 5685 B12R1.114 O=Cc1ccc(c(c1)O)SCF 62a_100015361967_100000041418 [0,0,0,0,1,1|1,1,0]=4