0 B13R2.12159 CC1(CC(=O)C2=C1C=CC=C2)C Z336080134 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 CC1(OC(=O)C2=C1C=CC=C2)C Z1255415853 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.12159 CC1=CS(=O)(=O)C2=C1C=CC=C2 Z607749842 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.12159 CC1=NS(=O)(=O)C2=C1C=CC=C2 Z1255354907 [0,0,0,0,0,0|1,0,1]=2 4 B13R2.12159 CS1(=NC(=O)C2=C1C=CC=C2)=O Z3072622612 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.12159 N=S1(=O)NC(=O)C2=C1C=CC=C2 Z3717675699 [0,0,0,0,0,0|1,0,0]=1 6 B13R2.12159 NC1=CS(=O)(=O)C2=C1C=CC=C2 Z1188127400 [0,0,0,0,0,0|2,0,0]=2 7 B13R2.12159 NC1=NS(=O)(=O)C2=C1C=CC=C2 Z57989305 [0,0,0,0,0,0|1,0,1]=2 8 B13R2.12159 NC1CS(=O)(=O)C2=C1C=CC=C2 Z1511513951 [0,0,0,0,0,0|2,0,1]=3 9 B13R2.12159 O=C1NS(=O)(=O)C2=C1C=CC=C2 Z256708526 [0,0,0,0,0,0|0,0,0]=0 10 B13R2.12159 O=S1(=O)C=C(C2=C1C=CC=C2)Br Z1269236402 [0,0,0,0,0,0|2,0,0]=2 11 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 Z1255452290 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.2028 CN1NC(=O)C2=C1N=CC=C2 Z1041148082 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.2028 NC1=NC(=O)C2=C1C=CC=C2 Z316121514 [1,0,0,0,0,0|2,0,1]=4 15 B12R2.2028 O=C1CC(=O)C2=C1C=CC=C2 Z57131040 [1,0,0,0,0,0|2,0,0]=3 16 B12R2.2028 O=C1NC(=O)C2=C1C=CC=C2 Z57127356 [1,0,0,0,0,0|1,0,0]=2 17 B12R2.2028 O=C1NC(=O)C2=C1C=CC=N2 Z275364976 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.2028 O=C1NC(=O)C2=C1C=CN=C2 Z1123701770 [1,0,0,0,0,0|2,0,0]=3 19 B12R2.2028 O=C1NC(=O)C2=C1N=CC=N2 Z1198157712 [1,0,0,0,0,0|3,0,0]=4 20 B12R2.2028 O=C1OC(=O)C2=C1C=CC=N2 Z235344909 [1,0,0,0,0,0|3,0,0]=4 21 B12R2.2028 O=C1OC(C2=C1C=CC=C2)O Z104507040 [1,0,0,0,0,0|2,0,1]=4 22 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [1,0,0,0,0,0|2,0,1]=4 23 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 Z425439028 [1,0,0,0,0,0|1,0,0]=2 24 B12R2.2403 O=S1(=O)NCC2=C1C=CC=C2 Z1198162686 [1,0,0,0,0,0|0,0,1]=2 25 B14R2.4643 CC1=CC2=C(C=C1)S(=O)(=O)NC2=O Z4198297431 [0,1,0,0,0,0|0,0,0]=1 26 B14R2.4643 NC1=CC2=C(C=C1)S(=O)(=O)NC2=O Z763361898 [0,1,0,0,0,0|0,0,0]=1 27 B14R2.4643 O=C1NS(=O)(=O)C2=C1C=C(C=C2)Br Z317102756 [0,1,0,0,0,0|0,0,0]=1 28 B14R2.4643 O=C1NS(=O)(=O)C2=C1C=C(C=C2)F Z1646638507 [0,1,0,0,0,0|0,0,0]=1 29 B14R2.4643 O=C1[N-]S(=O)(=O)C2=C1C=C(C=C2)Cl Z2008848916 [0,1,0,0,0,0|0,0,1]=2 30 B14R2.8052 O=C1NS(=O)(=O)C2=CC=CC(=C12)Cl Z1862012665 [0,1,0,0,0,0|0,0,0]=1 31 B14R2.8052 O=C1NS(=O)(=O)C2=CC=CC(=C12)F Z1960217419 [0,1,0,0,0,0|0,0,0]=1 32 B14R2.8055 CC1=C2C(=CC=C1)C(=O)NS2(=O)=O Z3271809051 [0,1,0,0,0,0|0,0,0]=1 33 B14R2.8055 CC1=CS(=O)(=O)C2=C(C=CC=C12)Cl Z1501181039 [0,1,0,0,0,0|2,0,0]=3 34 B14R2.8055 CC1=CS(=O)(=O)C2=C(C=CC=C12)F Z1501455133 [0,1,0,0,0,0|2,0,0]=3 35 B14R2.8055 NC1=C2C(=CC=C1)C(=O)NS2(=O)=O Z1262651616 [0,1,0,0,0,0|0,0,0]=1 36 B14R2.8055 O=C1NS(=O)(=O)C2=C(C=CC=C12)Cl Z1862012659 [0,1,0,0,0,0|0,0,0]=1 37 B14R2.8732 CC1=CC2=C(C=C1)C(=CS2(=O)=O)N Z1436017084 [0,1,0,0,0,0|2,0,0]=3 38 B14R2.8732 NC1=CC2=C(C=C1)C(=O)NS2(=O)=O Z821058358 [0,1,0,0,0,0|0,0,0]=1 39 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(=C2)Cl Z1269206304 [0,1,0,0,0,0|0,0,0]=1 40 B14R2.8732 O=C1NS(=O)(=O)C2=C1C=CC(=C2)F Z1726086076 [0,1,0,0,0,0|0,0,0]=1 41 B14R2.17370 CC1(NC(=O)C2=C1C=CC=C2)CN Z4947198786 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.45179 CNC1=NS(=O)(=O)C2=C1C=CC=C2 Z31222802 [0,1,0,0,0,0|1,0,1]=3 43 B14R2.45179 CNC1CS(=O)(=O)C2=C1C=CC=C2 Z1495385197 [0,1,0,0,0,0|2,0,1]=4 44 B14R2.45179 NCC1CS(=O)(=O)C2=C1C=CC=C2 Z425994408 [0,1,0,0,0,0|2,0,1]=4 45 B14R2.45179 O=S1(=O)CC(C2=C1C=CC=C2)CO Z2216314069 [0,1,0,0,0,0|1,0,2]=4 46 B14R2.57380 CC1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z2718926009 [0,1,0,0,0,0|1,0,0]=2 47 B14R2.57380 CN1C(=O)C2=C(S1(=N)=O)C=CC=C2 Z4130553997 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.39 N#CCS(=O)(=O)C1=CC=CC=C1 Z104343452 [0,0,1,0,0,0|2,0,1]=4 49 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 Z426041548 [0,0,1,0,0,0|2,0,1]=4 50 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 Z147642528 [0,0,1,0,0,0|2,0,1]=4 51 B12R1.76 CCC1=C(C=CC=C1)S(=O)(=O)O Z2307166882 [0,0,1,0,0,0|2,0,1]=4 52 B12R1.76 CNC1=C(C=CC=C1)S(=O)(=O)N Z425343670 [0,0,1,0,0,0|2,0,0]=3 53 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)Cl Z56911956 [0,0,1,0,0,0|3,0,0]=4 54 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)N Z45415608 [0,0,1,0,0,0|2,0,0]=3 55 B12R1.76 COC1=C(C=NC=C1)S(=O)(=O)N Z2108378528 [0,0,1,0,0,0|3,0,0]=4 56 B12R1.76 N#CC1=C(C=CC=C1)S(=O)(=O)F Z1416172605 [0,0,1,0,0,0|2,0,1]=4 57 B12R1.76 N#CC1=C(C=CC=C1)S(=O)(=O)N Z45415633 [0,0,1,0,0,0|1,0,1]=3 58 B12R1.76 N#CC1=C(C=CC=N1)S(=O)(=O)N Z1463999338 [0,0,1,0,0,0|2,0,1]=4 59 B12R1.76 N#CC1=C(N=CC=C1)S(=O)(=O)N Z854066808 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.76 NCC1=C(C=CC=C1)S(=O)(=O)N Z2096659111 [0,0,1,0,0,0|1,0,1]=3 61 B12R1.76 NS(=O)(=O)C1=C(C=CC=C1)CO Z1216845248 [0,0,1,0,0,0|0,0,2]=3 62 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl Z959662504 [0,0,1,0,0,0|1,0,0]=2 63 B12R1.76 O=S(=O)(F)C1=C(C=CC=C1)CCl Z1508671778 [0,0,1,0,0,0|2,0,1]=4 64 B12R1.76 O=S(=O)(O)C1=C(C=CC=C1)CO Z2239077794 [0,0,1,0,0,0|1,0,2]=4 65 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 Z1198149259 [0,0,1,0,0,0|3,0,0]=4 66 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,0,1,0,0,0|1,0,1]=3 67 B12R1.261 CC(=O)C1=C(C=CC=C1)C(=O)O Z57158791 [0,0,1,0,0,0|2,0,1]=4 68 B12R1.261 N=C(N)C1=C(C=CC=C1)C(=O)O Z3242292796 [0,0,1,0,0,0|2,0,1]=4 69 B12R1.261 N=C(N)C1=C(C=CC=C1)[N+](=O)[O-] Z2786051785 [0,0,1,0,0,0|2,0,1]=4 70 B12R1.261 NC(=O)C1=C(C=CC=C1)C(=O)N Z104476290 [0,0,1,0,0,0|2,0,0]=3 71 B12R1.261 NC(=O)C1=C(C=CC=N1)C(=O)O Z1142648247 [0,0,1,0,0,0|2,0,1]=4 72 B12R1.261 O=C(O)C1=C(C=CC=C1)C(=O)O Z57127456 [0,0,1,0,0,0|2,0,1]=4 73 B12R1.261 O=C(O)C1=C(C=CC=C1)[N+](=O)[O-] Z57160141 [0,0,1,0,0,0|2,0,1]=4 74 B14R2.8189 CC1=NS(=O)(=O)C2=C(N1)N=CC=C2 Z815272142 [0,0,0,0,0,1|2,0,1]=4 75 B14R2.8189 O=C1NC2=C(C=CC=C2)S(=O)(=O)N1 Z1198313436 [0,0,0,0,0,1|0,0,0]=1 76 B14R2.8189 O=C1NC2=C(C=CC=N2)S(=O)(=O)N1 Z1198157758 [0,0,0,0,0,1|1,0,0]=2 77 B14R2.29285 NC1CCS(=O)(=O)C2=C1C=CC=C2 Z149094958 [0,0,0,0,0,1|2,0,1]=4 78 B14R2.29285 N[C@H]1CCS(=O)(=O)C2=C1C=CC=C2 Z1473994882 [0,0,0,0,0,1|2,0,1]=4 79 B14R2.29285 O=C1CCS(=O)(=O)C2=C1C=CC=C2 Z56922070 [0,0,0,0,0,1|1,0,0]=2 80 B14R2.29285 O=C1NCS(=O)(=O)C2=C1C=CC=C2 Z1509188786 [0,0,0,0,0,1|0,0,0]=1 81 B14R2.29285 O=C1NNS(=O)(=O)C2=C1C=CC=C2 Z56942066 [0,0,0,0,0,1|0,0,0]=1 82 B14R2.29285 O=S1(=O)CCC(C2=C1C=CC=C2)O Z445987576 [0,0,0,0,0,1|1,0,2]=4 83 B14R2.29285 O=S1(=O)CC[C@@H](C2=C1C=CC=C2)O Z959151640 [0,0,0,0,0,1|1,0,2]=4 84 B14R2.29285 O=S1(=O)CC[C@H](C2=C1C=CC=C2)O Z959151642 [0,0,0,0,0,1|1,0,2]=4 85 B14R2.29496 CC1(NC(=O)C2=C(O1)C=CC=C2)C Z57183305 [0,0,0,0,0,1|3,0,0]=4 86 B14R2.29496 N=C1NS(=O)(=O)CC2=C1C=CC=C2 Z954601956 [0,0,0,0,0,1|1,0,0]=2 87 B14R2.29496 NC1CS(=O)(=O)CC2=C1C=CC=C2 Z2583036232 [0,0,0,0,0,1|2,0,1]=4 88 B14R2.29496 O=C1CS(=O)(=O)CC2=C1C=CC=C2 Z1171603157 [0,0,0,0,0,1|1,0,0]=2 89 B11R1.7 C=CS(=O)(=O)C1=CC=CC=C1 Z1020737978 [1,0,1,0,0,0|1,0,0]=3 90 B11R1.7 C=CS(=O)(=O)C1=CC=NC=C1 Z424784918 [1,0,1,0,0,0|2,0,0]=4 91 B11R1.7 C=CS(=O)(=O)C1=NC=CC=C1 Z424784990 [1,0,1,0,0,0|2,0,0]=4 92 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 Z45527650 [1,0,1,0,0,0|0,0,1]=3 93 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 Z45457929 [1,0,1,0,0,0|1,0,1]=4 94 B11R1.7 O=S(=O)(CCl)C1=CC=CC=C1 Z203881850 [1,0,1,0,0,0|1,0,1]=4 95 B11R1.7 O=S(=O)(NO)C1=CC=CC=C1 Z45528441 [1,0,1,0,0,0|0,0,1]=3 96 B11R1.16 N#CNC(=O)C1=CC=CC=C1 Z276572712 [1,0,1,0,0,0|2,0,0]=4 97 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [1,0,1,0,0,0|1,0,1]=4 98 B11R1.53 CC(=O)C1=C(C=CC=C1)C=O Z1255489619 [1,0,1,0,0,0|2,0,0]=4 99 B11R1.53 CCC1=C(C=CC=C1)C(=O)N Z1203580417 [1,0,1,0,0,0|2,0,0]=4 100 B11R1.53 CNC1=C(C=CC=C1)C(=O)N Z56947598 [1,0,1,0,0,0|2,0,0]=4 101 B11R1.53 COC1=C(C=CC=C1)C(=O)N Z33546468 [1,0,1,0,0,0|1,1,0]=4 102 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O Z1068032864 [1,0,1,0,0,0|1,0,0]=3 103 B11R1.53 O=CC1=C(C=CC=C1)C(=O)O Z104478340 [1,0,1,0,0,0|1,0,1]=4 104 B11R1.53 O=CC1=C(C=CC=C1)[N+](=O)[O-] Z57162107 [1,0,1,0,0,0|1,0,1]=4 105 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)F Z1486020661 [1,0,1,0,0,0|1,0,1]=4 106 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)N Z57902803 [1,0,1,0,0,0|0,0,1]=3 107 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)O Z1198149968 [1,0,1,0,0,0|1,0,1]=4 108 B11R1.87 CC1=C(C=NC=C1)S(=O)(=O)N Z1198154408 [1,0,1,0,0,0|1,0,1]=4 109 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)Br Z432564044 [1,0,1,0,0,0|2,0,0]=4 110 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)F Z126944608 [1,0,1,0,0,0|2,0,0]=4 111 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N Z210801860 [1,0,1,0,0,0|2,0,0]=4 112 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)O Z815289314 [1,0,1,0,0,0|1,0,1]=4 113 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)F Z1255485353 [1,0,1,0,0,0|2,0,0]=4 114 B11R1.87 NC1=C(C=CC=C1)S(=O)(=O)N Z278052056 [1,0,1,0,0,0|1,0,0]=3 115 B11R1.87 NC1=C(N=CC=C1)S(=O)(=O)N Z1216838238 [1,0,1,0,0,0|2,0,0]=4 116 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Br Z45415642 [1,0,1,0,0,0|1,0,0]=3 117 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)Cl Z45415618 [1,0,1,0,0,0|1,0,0]=3 118 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)F Z45415581 [1,0,1,0,0,0|1,0,0]=3 119 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)I Z235542804 [1,0,1,0,0,0|1,0,0]=3 120 B11R1.87 NS(=O)(=O)C1=C(C=CC=C1)O Z1255467781 [1,0,1,0,0,0|0,0,1]=3 121 B11R1.87 NS(=O)(=O)C1=C(C=CC=N1)F Z997724900 [1,0,1,0,0,0|2,0,0]=4 122 B11R1.87 NS(=O)(=O)C1=C(C=CC=N1)O Z1255501486 [1,0,1,0,0,0|1,0,1]=4 123 B11R1.87 NS(=O)(=O)C1=C(N=CC=C1)Cl Z271312234 [1,0,1,0,0,0|2,0,0]=4 124 B11R1.87 NS(=O)(=O)C1=C(N=CC=C1)O Z1612248361 [1,0,1,0,0,0|1,0,1]=4 125 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Br Z56970121 [1,0,1,0,0,0|2,0,0]=4 126 B11R1.87 O=S(=O)(Cl)C1=C(C=CC=C1)Cl Z56931877 [1,0,1,0,0,0|2,0,0]=4 127 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)Br Z1618011881 [1,0,1,0,0,0|2,0,0]=4 128 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)F Z1255453477 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)I Z3016190841 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.87 O=S(=O)(F)C1=C(C=CC=C1)O Z1513874585 [1,0,1,0,0,0|1,0,1]=4 131 B11R2.1 CC1=C2C=CC=CC2=NN1 Z1258992514 [2,0,0,0,0,0|2,0,0]=4 132 B11R2.1 ClC1=C2C=CC=CC2=NN1 Z1695729006 [2,0,0,0,0,0|2,0,0]=4 133 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [2,0,0,0,0,0|2,0,0]=4 134 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [2,0,0,0,0,0|1,1,0]=4 135 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [2,0,0,0,0,0|1,0,1]=4 136 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [2,0,0,0,0,0|1,0,0]=3 137 B11R2.1 O=C1NCC2=C1C=CC=N2 Z1203733001 [2,0,0,0,0,0|2,0,0]=4 138 B11R2.1 O=C1NCC2=C1C=CN=C2 Z1255451661 [2,0,0,0,0,0|2,0,0]=4 139 B11R2.1 O=C1NCC2=C1C=NC=C2 Z2758801175 [2,0,0,0,0,0|2,0,0]=4 140 B11R2.1 O=C1NCC2=C1N=CC=C2 Z1255449267 [2,0,0,0,0,0|2,0,0]=4 141 B11R2.1 O=C1NN=C2N1C=CC=C2 Z56987654 [2,0,0,0,0,0|2,0,0]=4 142 B11R2.1 O=C1NNC2=C1C=CC=C2 Z586248764 [2,0,0,0,0,0|1,0,0]=3 143 B11R2.1 O=C1NNC2=C1C=CC=N2 Z381404338 [2,0,0,0,0,0|2,0,0]=4 144 B11R2.1 O=C1NOC2=C1C=CC=C2 Z1592042113 [2,0,0,0,0,0|0,1,0]=3 145 B11R2.1 O=C1NSC2=C1C=CC=C2 Z56983154 [2,0,0,0,0,0|0,0,1]=3 146 B11R2.1 O=C1NSC2=C1C=CC=N2 Z1551930532 [2,0,0,0,0,0|1,0,1]=4 147 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [2,0,0,0,0,0|2,0,0]=4 148 B11R2.1 O=C1SNC2=C1C=CC=C2 Z992282928 [2,0,0,0,0,0|2,0,0]=4 149 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Br Z45528325 [0,1,1,0,0,0|1,0,1]=4 150 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)C Z45528338 [0,1,1,0,0,0|1,0,1]=4 151 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45528324 [0,1,1,0,0,0|1,0,1]=4 152 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)F Z45528341 [0,1,1,0,0,0|1,0,1]=4 153 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)I Z111456838 [0,1,1,0,0,0|1,0,1]=4 154 B13R1.29 CCNS(=O)(=O)C1=CC=C(C=C1)N Z111577334 [0,1,1,0,0,0|1,0,1]=4 155 B13R1.30 CCNS(=O)(=O)C1=CC(=CC=C1)Br Z45528395 [0,1,1,0,0,0|1,0,1]=4 156 B13R1.30 CCNS(=O)(=O)C1=CC(=CC=C1)F Z45528342 [0,1,1,0,0,0|1,0,1]=4 157 B13R1.122 C#CCNS(=O)(=O)C1=CC=CC=C1 Z53051134 [0,1,1,0,0,0|1,0,1]=4 158 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 Z45529910 [0,1,1,0,0,0|1,0,0]=3 159 B13R1.122 CCCNS(=O)(=O)C1=CC=CC=C1 Z45545165 [0,1,1,0,0,0|1,0,1]=4 160 B13R1.122 NCCNS(=O)(=O)C1=CC=CC=C1 Z235352029 [0,1,1,0,0,0|1,0,1]=4 161 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 Z57066885 [0,1,1,0,0,0|1,0,0]=3 162 B13R1.347 N=C(N)NS(=O)(=O)C1=CC=CC=C1 Z94601337 [0,1,1,0,0,0|1,0,0]=3 163 B13R1.347 NC(=O)CS(=O)(=O)C1=CC=CC=C1 Z19128437 [0,1,1,0,0,0|1,0,0]=3 164 B13R1.2819 CCNS(=O)(=O)C1=C(C=CC=C1)Br Z45528416 [0,1,1,0,0,0|1,0,1]=4 165 B13R1.2819 CCNS(=O)(=O)C1=C(C=CC=C1)N Z278052026 [0,1,1,0,0,0|1,0,1]=4 166 B13R1.53 COC1=C(C=CC(=C1)C)S(=O)(=O)N Z992283040 [0,1,1,0,0,0|2,0,0]=4 167 B13R1.53 COC1=C(C=CC(=C1)N)S(=O)(=O)N Z406721572 [0,1,1,0,0,0|2,0,0]=4 168 B13R1.108 CS(=O)(=O)C1=C(C(=CC=C1)Cl)C=O Z1269194838 [0,1,1,0,0,0|1,0,0]=3 169 B13R1.349 CC(=O)C1=C(C=CC=C1)S(=O)(=O)C Z1116403972 [0,1,1,0,0,0|1,0,0]=3 170 B13R1.349 CS(=O)(=O)C1=C(C=CC=C1)C(=O)O Z57044274 [0,1,1,0,0,0|1,0,0]=3 171 B13R1.349 CS(=O)(=O)C1=C(C=CC=N1)C(=O)O Z362600258 [0,1,1,0,0,0|2,0,0]=4 172 B13R1.349 CS(=O)(=O)C1=C(N=CC=C1)C(=O)O Z1508941156 [0,1,1,0,0,0|2,0,0]=4 173 B13R1.349 NC(=O)C1=C(C=CC=C1)S(=O)(=O)N Z385455484 [0,1,1,0,0,0|0,0,0]=2 174 B13R1.349 NS(=O)(=O)C1=C(C=CC=C1)[N+](=O)[O-] Z45415562 [0,1,1,0,0,0|1,0,0]=3 175 B13R1.349 NS(=O)(=O)C1=C(N=CC=C1)[N+](=O)[O-] Z1270790502 [0,1,1,0,0,0|2,0,0]=4 176 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O Z56759395 [0,1,1,0,0,0|1,0,0]=3 177 B13R1.349 O=[N+]([O-])C1=C(C=CC=C1)S(=O)(=O)Cl Z104478380 [0,1,1,0,0,0|2,0,0]=4 178 B13R1.349 O=[N+]([O-])C1=C(C=CC=C1)S(=O)(=O)F Z1269190996 [0,1,1,0,0,0|2,0,0]=4 179 B13R1.349 O=[N+]([O-])C1=C(C=CC=C1)S(=O)(=O)O Z221527516 [0,1,1,0,0,0|2,0,0]=4 180 B13R1.381 CCCC1=C(C=CC=C1)S(=O)(=O)N Z401602120 [0,1,1,0,0,0|1,0,1]=4 181 B13R1.381 CCNC1=C(C=CC=C1)S(=O)(=O)N Z425343674 [0,1,1,0,0,0|1,0,1]=4 182 B13R1.381 CNCC1=C(C=CC=C1)S(=O)(=O)N Z2211231175 [0,1,1,0,0,0|1,0,1]=4 183 B13R1.381 COCC1=C(C=CC=C1)S(=O)(=O)N Z821093610 [0,1,1,0,0,0|0,0,2]=4 184 B13R1.381 NCCC1=C(C=CC=C1)S(=O)(=O)N Z3292558136 [0,1,1,0,0,0|1,0,1]=4 185 B13R1.2129 CNS(=O)(=O)C1=C(C=CC=C1)CN Z278051488 [0,1,1,0,0,0|1,0,1]=4 186 B13R1.3090 CCC1=C(C=C(C=C1)N)S(=O)(=O)N Z406717282 [0,1,1,0,0,0|1,0,1]=4 187 B13R1.3090 COC1=C(C=C(C=C1)Br)S(=O)(=O)N Z45415652 [0,1,1,0,0,0|2,0,0]=4 188 B13R1.3090 COC1=C(C=C(C=C1)C)S(=O)(=O)N Z57611437 [0,1,1,0,0,0|2,0,0]=4 189 B13R1.3090 COC1=C(C=C(C=C1)Cl)S(=O)(=O)N Z57820216 [0,1,1,0,0,0|2,0,0]=4 190 B13R1.3090 COC1=C(C=C(C=C1)N)S(=O)(=O)N Z56933701 [0,1,1,0,0,0|2,0,0]=4 191 B13R1.11 O=C(CCl)NC(=O)C1=CC=CC=C1 Z56907603 [0,1,1,0,0,0|2,0,0]=4 192 B13R1.147 NC(=O)NC(=O)C1=CC(=CC=C1)N Z1262625087 [0,1,1,0,0,0|2,0,0]=4 193 B13R1.352 CC(NS(=O)(=O)C)C1=CC=CC=C1 Z53825003 [0,1,1,0,0,0|1,0,1]=4 194 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 Z957336744 [0,1,1,0,0,0|1,0,0]=3 195 B13R1.165 NC(=O)C1=C(C=CC(=C1)N)[N+](=O)[O-] Z959893188 [0,1,1,0,0,0|1,0,1]=4 196 B13R1.295 CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)N Z394696612 [0,1,1,0,0,0|1,0,1]=4 197 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [1,1,0,0,0,0|2,0,0]=4 198 B13R2.2931 O=C1N/C(=N/O)/C2=C1C=CC=C2 Z2418414106 [1,1,0,0,0,0|1,0,1]=4 199 B13R2.3085 CN1C(=O)C2=C(C1O)C=CC=C2 Z108567058 [1,1,0,0,0,0|1,0,1]=4 200 B13R2.3085 NN1C(=O)C2=C(C1=O)C=CC=C2 Z56922077 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.4857 CC1=C2C(=O)NC(=O)C2=CC=C1 Z1262691819 [1,1,0,0,0,0|1,0,0]=3 202 B13R2.4857 NC1=C2C(=O)NC(=O)C2=CC=C1 Z56886642 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.4857 O=C1NC(=O)C2=C(C=CC=C12)Br Z1269140080 [1,1,0,0,0,0|1,0,0]=3 204 B13R2.4857 O=C1NC(=O)C2=C(C=CC=C12)O Z1198233784 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.5187 CC1=CC2=C(C=C1)C(=O)CC2=O Z1513599546 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.5187 CC1=CC2=C(C=C1)C(=O)NC2=O Z424792858 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O Z56795283 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.5187 O=C1CC(=O)C2=C1C=CC(=C2)O Z1513687373 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.5187 O=C1NC(=O)C2=C1C=CC(=C2)Br Z57127360 [1,1,0,0,0,0|1,0,0]=3 210 B13R2.5187 O=C1NC(=O)C2=C1C=CC(=C2)F Z1255487934 [1,1,0,0,0,0|1,0,0]=3 211 B13R2.3791 NC1=CC2=C(C=C1)C=CS2(=O)=O Z445135574 [1,1,0,0,0,0|1,0,0]=3 212 B13R2.3791 NC1=CC2=C(C=C1)CCS2(=O)=O Z426040990 [1,1,0,0,0,0|1,0,1]=4 213 B13R2.4848 NC1=C2CCS(=O)(=O)C2=CC=C1 Z1227765671 [1,1,0,0,0,0|1,0,1]=4 214 B13R2.13023 NC1=C2C(=CC=C1)CCS2(=O)=O Z1227765670 [1,1,0,0,0,0|1,0,1]=4 215 B13R2.10762 CC1=CC2=C(S1)S(=O)(=O)NC2=O Z3559506383 [0,1,0,0,1,0|1,0,0]=3 216 B15R2.13166 CN1C(=O)NS(=O)(=O)C2=C1C=CC=C2 Z2229328886 [0,1,0,0,0,1|0,0,0]=2 217 B15R2.13973 CC1=NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1 Z1269122570 [0,1,0,0,0,1|1,0,0]=3 218 B15R2.13973 CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Br Z734043408 [0,1,0,0,0,1|1,0,1]=4 219 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)Br Z390053186 [0,1,0,0,0,1|1,0,0]=3 220 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)Cl Z150864404 [0,1,0,0,0,1|1,0,0]=3 221 B15R2.7494 O=C1CCS(=O)(=O)C2=C1C=C(C=C2)F Z90123570 [0,1,0,0,0,1|1,0,0]=3 222 B15R2.13622 O=C1CCS(=O)(=O)C2=C(C=CC=C12)F Z126793862 [0,1,0,0,0,1|1,0,0]=3 223 B15R2.61763 CN1CC(=O)C2=C(S1(=O)=O)C=CC=C2 Z1269188747 [0,1,0,0,0,1|0,0,0]=2 224 B15R2.13861 CN1C2=C(C=CC=C2)C(=CS1(=O)=O)N Z3305009850 [0,1,0,0,0,1|2,0,0]=4 225 B15R2.13861 CN1C2=C(C=CC=C2)C(=O)CS1(=O)=O Z1269230545 [0,1,0,0,0,1|1,0,0]=3 226 B15R2.50278 O=C1CS(=O)(=O)NC2=C1C=C(C=C2)F Z1813198246 [0,1,0,0,0,1|1,0,0]=3 227 B15R2.43586 CC1(NS(=O)(=O)C2=C1C=C(C=C2)O)C Z1513906332 [0,2,0,0,0,0|1,0,1]=4 228 B15R2.53061 CC1=C2C(=CC(=C1)F)C(=O)NS2(=O)=O Z1375770357 [0,2,0,0,0,0|0,0,0]=2 229 B15R2.20946 COC1=C2C(=O)NS(=O)(=O)C2=CC=C1 Z2311281580 [0,2,0,0,0,0|0,0,0]=2 230 B15R2.56234 CCNC1=NS(=O)(=O)C2=C1C=CC=C2 Z31223976 [0,2,0,0,0,0|1,0,1]=4 231 B15R2.160873 O=C(O)C1CS(=O)(=O)C2=C1C=CC=C2 Z425994506 [0,2,0,0,0,0|1,0,1]=4 232 B15R2.202 CCN1C(=O)C2=C(S1(=O)=O)C=CC=C2 Z53837734 [0,2,0,0,0,0|0,0,0]=2 233 B15R2.202 O=C1C2=C(C=CC=C2)S(=O)(=O)N1CCl Z56889123 [0,2,0,0,0,0|0,0,0]=2 234 B13R2.3122 O=S1(=O)NC=NC2=C1C=CC=C2 Z756371174 [0,0,1,1,0,0|1,0,0]=3 235 B13R2.3122 O=S1(=O)NCNC2=C1C=CC=C2 Z1262563881 [0,0,1,1,0,0|1,0,1]=4 236 B13R2.3122 O=S1(=O)NN=CC2=C1C=CC=C2 Z640627372 [0,0,1,1,0,0|2,0,0]=4 237 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Z133528266 [0,0,1,1,0,0|2,0,0]=4 238 B13R2.328 O=C1NC(=O)C2=C(N1)C=CC=C2 Z57177786 [0,0,1,1,0,0|2,0,0]=4 239 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,0,1,1,0,0|1,0,1]=4 240 B13R2.328 O=C1NC(=O)C2=C(S1)C=CC=C2 Z1649390235 [0,0,1,1,0,0|1,1,0]=4 241 B13R2.371 O=C1NNC(=O)C2=C1C=CC=C2 Z50146004 [0,0,1,1,0,0|2,0,0]=4 242 B11R1.58 CS(=O)(=O)C1=C(C=CS1)C=O Z3024535766 [0,0,1,0,1,0|2,0,0]=4 243 B11R1.58 CS(=O)(=O)C1=C(SC=C1)C=O Z2732648317 [0,0,1,0,1,0|2,0,0]=4 244 B11R1.58 CS(=O)(=O)N1C=CC=C1C=O Z1198163609 [0,0,1,0,1,0|2,0,0]=4 245 B11R1.58 NS(=O)(=O)C1=C(C=CS1)C=O Z2017882303 [0,0,1,0,1,0|1,0,0]=3 246 B11R1.58 NS(=O)(=O)C1=C(SC=C1)C=O Z3215302142 [0,0,1,0,1,0|1,0,0]=3 247 B11R1.58 NS(=O)(=O)C1=CSC=C1C=O Z3397290146 [0,0,1,0,1,0|1,0,0]=3 248 B11R1.58 O=CC1=C(C=CS1)S(=O)(=O)Cl Z2896135673 [0,0,1,0,1,0|2,0,0]=4 249 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,0,1,0,1,0|2,0,0]=4 250 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,0,1,0,1,0|1,0,1]=4 251 B11R2.202 O=C1NC(=O)C2=CSC=C12 Z1262693419 [1,0,0,0,1,0|2,0,0]=4 252 B13R1.622 COC1=C(C=CC=C1)CS(=O)(=O)N Z839114522 [0,0,1,0,0,1|2,0,0]=4 253 B13R1.622 N#CC1=C(C=CC=C1)CS(=O)(=O)N Z132909010 [0,0,1,0,0,1|1,0,1]=4 254 B13R1.622 NCC1=C(C=CC=C1)CS(=O)(=O)N Z3064010645 [0,0,1,0,0,1|1,0,1]=4 255 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,0,1,0,0,1|1,0,1]=4 256 B13R1.589 NC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] Z33546960 [0,0,1,0,0,1|1,0,1]=4 257 B13R1.589 NC(=O)NC1=C(C=CC=C1)C(=O)O Z239135034 [0,0,1,0,0,1|1,0,1]=4 258 B13R1.589 NC(=O)NC1=C(C=CC=C1)[N+](=O)[O-] Z166687108 [0,0,1,0,0,1|1,0,1]=4 259 B13R2.222 O=S1(=O)CCC2=C(N1)C=CC=C2 Z1862025194 [1,0,0,0,0,1|1,0,1]=4 260 B15R2.992 O=C1CS(=O)(=O)CC2=C(N1)C=CC=C2 Z1509155755 [0,0,0,0,0,2|1,0,0]=3 261 B15R2.65988 O=C1CCCS(=O)(=O)C2=C1C=CC=C2 Z384973762 [0,0,0,0,0,2|1,0,0]=3