0 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CDS012430 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.12159 C[C@H]1NS(=O)(=O)C2=CC=CC=C12 PH016430 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.12159 O=C1CS(=O)(=O)C2=CC=CC=C12 PH010369 [0,0,0,0,0,0|1,0,0]=1 3 B13R2.12159 O=S1(=O)C=C(C2=CC=CC=C12)Cl T327751 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.12159 O=S1(=O)N=C(C2=C1C=CC=C2)Cl T331937 [0,0,0,0,0,0|1,0,1]=2 5 B13R2.12159 O=S1(=O)N=C(C2=C1C=CC=C2)[O-] S827932 [0,0,0,0,0,0|0,0,2]=2 6 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.2028 O=C1NS(=O)C2=C1C=CC=C2 PH009216 [1,0,0,0,0,0|0,0,1]=2 8 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [1,0,0,0,0,0|1,0,1]=3 10 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S852414 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 S984302 [1,0,0,0,0,0|1,0,0]=2 12 B12R2.2403 O=S1(=O)OCC2=C1C=CC=C2 S438103 [1,0,0,0,0,0|1,0,1]=3 13 B14R2.4643 CC1=CS(=O)(=O)C2=CC=C(C=C12)Cl CDS004539 [0,1,0,0,0,0|2,0,0]=3 14 B14R2.4643 CC1=CS(=O)(=O)C2=CC=C(C=C12)F T313335 [0,1,0,0,0,0|2,0,0]=3 15 B14R2.45179 CNC1=NS(=O)(=O)C2=C1C=CC=C2 EME00347 [0,1,0,0,0,0|1,0,1]=3 16 B14R2.45179 NNC1=NS(=O)(=O)C2=CC=CC=C12 CBR00525 [0,1,0,0,0,0|1,0,1]=3 17 B14R2.45179 O=S1(=O)C/C(=N\O)/C2=CC=CC=C12 PH007115 [0,1,0,0,0,0|1,0,1]=3 18 B14R2.57380 CN1C(=O)C2=CC=CC=C2S1(=O)=O PH010918 [0,1,0,0,0,0|0,0,0]=1 19 B14R2.57380 O=C1C2=C(C=CC=C2)S(=O)(=O)N1[Na] S272108 [0,1,0,0,0,0|0,0,0]=1 20 B12R1.39 CCCS(=O)(=O)C1=CC=CC=C1 PH006990 [0,0,1,0,0,0|2,0,1]=4 21 B12R1.39 CCNS(=O)(=O)C1=CC=CC=C1 PH009839 [0,0,1,0,0,0|1,0,1]=3 22 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 CDS008511 [0,0,1,0,0,0|2,0,1]=4 23 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 PH011695 [0,0,1,0,0,0|2,0,1]=4 24 B12R1.76 COC1=C(C=CC=C1)S(=O)(=O)C PH011701 [0,0,1,0,0,0|3,0,0]=4 25 B12R1.76 COC1=CC=CC=C1S(=O)(=O)Cl CDS007595 [0,0,1,0,0,0|3,0,0]=4 26 B12R1.76 COC1=CC=CC=C1S(=O)(=O)O PH017869 [0,0,1,0,0,0|3,0,0]=4 27 B12R1.76 CS(=O)(=O)C1=C(C=CC=C1)CCl OTV000975 [0,0,1,0,0,0|2,0,1]=4 28 B12R1.76 CS(=O)(=O)C1=CC=CC=C1C=O CDS023397 [0,0,1,0,0,0|1,0,0]=2 29 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl PH006828 [0,0,1,0,0,0|1,0,0]=2 30 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 S862614 [0,0,1,0,0,0|3,0,0]=4 31 B12R1.107 NC(=O)NC(=O)C1=CC=CC=C1 S450545 [0,0,1,0,0,0|2,0,0]=3 32 B12R1.261 NC(=O)C1=CC=CC=C1B(O)O CDS006024 [0,0,1,0,0,0|1,0,2]=4 33 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [0,0,1,0,0,0|2,0,0]=3 34 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [0,0,1,0,0,0|1,0,1]=3 35 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [0,0,1,0,0,0|1,0,2]=4 36 B14R2.8189 O=C1CS(=O)(=O)C2=C(N1)C=CC=C2 PH000428 [0,0,0,0,0,1|1,0,0]=2 37 B14R2.29285 O=C1C=CS(=O)(=O)C2=C1C=CC=C2 T284483 [0,0,0,0,0,1|1,0,0]=2 38 B14R2.29285 O=C1CCS(=O)(=O)C2=CC=CC=C12 T324698 [0,0,0,0,0,1|1,0,0]=2 39 B14R2.29496 CC1(NC(=O)C2=CC=CC=C2O1)C PH001950 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.7 CNS(=O)(=O)C1=CC=CC=C1 PH010973 [1,0,1,0,0,0|0,0,1]=3 41 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 S544795 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.7 O=S(=O)(N[Na])C1=CC=CC=C1 T283754 [1,0,1,0,0,0|1,0,0]=3 43 B11R1.16 C(=O)NC(C)C1=CC=CC=C1 S520349 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.16 N#CNC(=O)C1=CC=CC=C1 S923761 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [1,0,1,0,0,0|1,0,1]=4 47 B11R1.53 CNC1=C(C=CC=C1)C(=O)N CDS003164 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.53 COC1=CC=CC=C1C(=O)N S534935 [1,0,1,0,0,0|1,1,0]=4 49 B11R1.87 CC1=C(C=CC=C1)S(=O)(=O)C PH003545 [1,0,1,0,0,0|1,0,1]=4 50 B11R1.87 CC1=CC=CC=C1S(=O)(=O)[O-] T330620 [1,0,1,0,0,0|1,0,1]=4 51 B11R1.87 CS(=O)(=O)C1=C(C=CC=C1)N CDS004952 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,0,1,0,0,0|1,0,1]=4 53 B11R1.87 O=S(=O)(O)C1=C(C=CC=C1)O CDS013549 [1,0,1,0,0,0|1,0,1]=4 54 B11R1.87 O=S(=O)([O-])C1=CC=CC=C1O T330655 [1,0,1,0,0,0|1,0,1]=4 55 B11R2.1 O=C1NCC2=C1C=CC=C2 CDS020611 [2,0,0,0,0,0|1,0,0]=3 56 B11R2.1 O=C1O[Hg]C2=C1C=CC=C2 S576360 [2,0,0,0,0,0|2,0,0]=4 57 B13R1.29 C=CCS(=O)(=O)C1=CC=C(C=C1)C S863211 [0,1,1,0,0,0|2,0,0]=4 58 B13R1.122 C=CCNS(=O)(=O)C1=CC=CC=C1 R150207 [0,1,1,0,0,0|1,0,0]=3 59 B13R1.122 O=S(=O)(NCCCl)C1=CC=CC=C1 R151564 [0,1,1,0,0,0|1,0,1]=4 60 B13R1.122 O=S(=O)(NCCO)C1=CC=CC=C1 PH010551 [0,1,1,0,0,0|0,0,2]=4 61 B13R1.347 C/C(=C\S(=O)(=O)C1=CC=CC=C1)/I S778966 [0,1,1,0,0,0|2,0,0]=4 62 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 PH008266 [0,1,1,0,0,0|0,0,0]=2 63 B13R1.347 CN(C)NS(=O)(=O)C1=CC=CC=C1 PH008170 [0,1,1,0,0,0|2,0,0]=4 64 B13R1.347 NC(=O)NS(=O)(=O)C1=CC=CC=C1 S756342 [0,1,1,0,0,0|0,0,0]=2 65 B13R1.708 C=CC(C)S(=O)(=O)C1=CC=CC=C1 T288926 [0,1,1,0,0,0|2,0,0]=4 66 B13R1.53 COC1=CC(=CC=C1S(=O)(=O)N)C CDS021660 [0,1,1,0,0,0|2,0,0]=4 67 B13R1.349 O=C(O)C1=CC=CC=C1S(=O)(=O)[O-] S837350 [0,1,1,0,0,0|1,0,0]=3 68 B13R1.3090 COC1=CC=C(C=C1S(=O)(=O)N)Br CDS005716 [0,1,1,0,0,0|2,0,0]=4 69 B13R1.132 CC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009070 [0,1,1,0,0,0|2,0,0]=4 70 B13R1.132 NC(=O)NC(=O)C1=CC=C(C=C1)N PH007186 [0,1,1,0,0,0|2,0,0]=4 71 B13R1.147 NC(=O)NC(=O)C1=CC=CC(=C1)Br PH009582 [0,1,1,0,0,0|2,0,0]=4 72 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 S596868 [0,1,1,0,0,0|1,0,0]=3 73 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CN=C1 CDS013647 [0,1,1,0,0,0|2,0,0]=4 74 B13R1.352 O=C(CS(=O)(=O)O)C1=CC=CC=C1 T164151 [0,1,1,0,0,0|1,0,0]=3 75 B13R2.3085 C1(C(=O)C2=C(C1=O)C=CC=C2)C R152196 [1,1,0,0,0,0|2,0,0]=4 76 B13R2.3085 CN1C(=O)C2=CC=CC=C2C1O PH000353 [1,1,0,0,0,0|1,0,1]=4 77 B13R2.4857 O=C1OC(=O)C2=C1C=CC=C2Cl S663077 [1,1,0,0,0,0|2,0,0]=4 78 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O CDS000148 [1,1,0,0,0,0|1,0,0]=3 79 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O R464295 [1,1,0,0,0,0|1,0,0]=3 80 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)Cl PH011762 [1,1,0,0,0,0|2,0,0]=4 81 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [1,1,0,0,0,0|2,0,0]=4 82 B13R2.359 CC1CC2=C(S1(=O)=O)C=CC=C2 S100218 [1,1,0,0,0,0|1,0,1]=4 83 B15R2.13166 CN1C(=O)CS(=O)(=O)C2=CC=CC=C12 PH008268 [0,1,0,0,0,1|1,0,0]=3 84 B15R2.14213 CN1C(=O)CC2=C(S1(=O)=O)C=CC=C2 PH008252 [0,1,0,0,0,1|0,0,0]=2 85 B15R2.7494 O=C1CCS(=O)(=O)C2=CC=C(C=C12)F T325031 [0,1,0,0,0,1|1,0,0]=3 86 B15R2.61763 CN1CC(=O)C2=C(S1(=O)=O)C=CC=C2 PH000468 [0,1,0,0,0,1|0,0,0]=2 87 B15R2.160873 CC(C)[C@H]1NS(=O)(=O)C2=CC=CC=C12 PH016467 [0,2,0,0,0,0|1,0,1]=4 88 B15R2.160873 CN(C)C1=NS(=O)(=O)C2=C1C=CC=C2 PH009110 [0,2,0,0,0,0|1,0,1]=4 89 B15R2.202 O=C1C2=C(C=CC=C2)S(=O)(=O)N1CO PH011594 [0,2,0,0,0,0|0,0,0]=2 90 B11R1.58 C(=O)C1=CC=CN1S(=O)(=O)C L164550 [0,0,1,0,1,0|2,0,0]=4 91 B13R1.1327 C(=C/S(=O)(=O)CC1=CC=CC=C1)\C T299219 [0,0,1,0,0,1|2,0,0]=4 92 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,1,0,0,1|2,0,0]=4 93 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,0,1,0,0,1|2,0,0]=4 94 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,0,1,0,0,1|2,0,0]=4 95 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,0,1,0,0,1|2,0,0]=4 96 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,0,1,0,0,1|2,0,0]=4 97 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N R239674 [0,0,1,0,0,1|2,0,0]=4 98 B13R2.222 O=S1(=O)CCC2=C(C1)C=CC=C2 T163694 [1,0,0,0,0,1|1,0,1]=4 99 B15R2.65988 O=C1CCCS(=O)(=O)C2=CC=CC=C12 T312770 [0,0,0,0,0,2|1,0,0]=3 100 B15R2.65988 O=C1NCCS(=O)(=O)C2=C1C=CC=C2 S683469 [0,0,0,0,0,2|0,0,0]=2