0 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 CC1=C(C=CC(=C1)S)F KOB0143 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,0,0,0,0,0|3,1,0]=4 7 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,0,0,0,0,0|2,1,1]=4 12 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,0,0,0,0,0|2,1,1]=4 16 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.69 FC1=CC=C(C(=C1)S)F CDS011187 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 FC1=CC=C(C=C1Br)S CDS008156 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.69 N1C(=O)NN=C(C1=O)Br S948837 [0,0,0,0,0,0|2,1,1]=4 20 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,0,0,0,0,0|3,1,0]=4 21 B9R1.69 NC1=CC=C(C(=C1)Br)F CDS001086 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,0,0,0,0,0|2,1,1]=4 25 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [0,0,0,0,0,0|1,1,1]=3 26 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,0,0,0,0,0|3,1,0]=4 27 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,0,0,0,0,0|2,1,1]=4 28 B9R1.69 O=C1NC=C(C(=S)N1)F R538280 [0,0,0,0,0,0|1,0,1]=2 29 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,0,0,0,0,0|1,2,1]=4 30 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|1,0,2]=4 32 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,0,0,0,0,0|1,1,1]=4 34 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [1,0,0,0,0,0|1,1,1]=4 38 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [1,0,0,0,0,0|1,1,1]=4 39 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [1,0,0,0,0,0|1,1,1]=4 40 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [1,0,0,0,0,0|1,1,1]=4 41 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.3 NC1=CC=C(C=C1)F S414190 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [1,0,0,0,0,0|1,1,0]=3 46 B8R1.4 CC1=CC(=O)NC=C1 T162655 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.4 NC1=NC=NC(=N1)N S367753 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|2,1,0]=4 60 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|2,1,0]=4 62 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.5 FC1=CN=CN=C1S S217271 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [1,0,0,0,0,0|0,1,1]=3 68 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|1,1,0]=3 70 B8R1.5 O=C1NC=CC=C1Cl T161063 [1,0,0,0,0,0|2,1,0]=4 71 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|2,1,0]=4 73 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.22 CC1=C(C(=O)NC(=O)N1)I T340561 [0,1,0,0,0,0|1,1,1]=4 76 B10R1.22 N1C(=O)NC(=O)C(=C1N)N S504386 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.22 NC1=CC(=CC(=C1F)F)Br CDS024554 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.22 NC1=NC(=C(C(=N1)O)N)N S540897 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.22 NC1=NC(=NC(=C1N)O)O S765945 [0,1,0,0,0,0|1,0,2]=4 80 B10R1.25 CC1=NC(=C(C=N1)C#N)N CDS005325 [0,1,0,0,0,0|2,0,1]=4 81 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.30 CNC1=C(C=NC(=N1)Cl)F CBR00088 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.30 COC1=C(C=NC(=N1)Cl)F CBR01803 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.30 COC1=C(C=NC(=O)N1)F CBR01600 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.118 CC1=CC(=C(C=C1Br)N)F CDS023542 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.119 NC1=C(C(=NC=C1I)Cl)I PHB00152 [0,1,0,0,0,0|2,1,0]=4 87 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|2,0,0]=3 88 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,1,0|2,1,0]=4 89 B8R1.50 CC1=NNC(=C1N)C L203173 [0,0,0,0,1,0|3,0,0]=4 90 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [1,0,1,0,0,0|2,0,0]=4 91 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 92 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,1]=4 95 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 96 B7R1.3 O=C1C=CC=CN1 T160121 [2,0,0,0,0,0|1,0,0]=3 97 B7R1.3 O=C1CSC=CN1 OTV000696 [2,0,0,0,0,0|2,0,0]=4 98 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|0,1,1]=4 100 B9R1.1 C(=O)C1=CC=C(C=N1)Cl CDS015696 [1,1,0,0,0,0|1,1,0]=4 101 B9R1.1 C(=O)C1=CC=C(C=N1)Cl SYX00294 [1,1,0,0,0,0|1,1,0]=4 102 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.1 O=CC1=CC=C(C=N1)F CDS005163 [1,1,0,0,0,0|1,0,0]=3 104 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,0,1]=4 106 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,1,0,0,0,0|0,0,2]=4 107 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|0,1,1]=4 108 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [1,1,0,0,0,0|0,0,2]=4 109 B9R1.3 CC1=CC=CC(=O)N1C T294608 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [1,1,0,0,0,0|2,0,0]=4 115 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [1,1,0,0,0,0|1,0,1]=4 118 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [1,1,0,0,0,0|1,1,0]=4 119 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [1,1,0,0,0,0|1,0,1]=4 120 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [1,1,0,0,0,0|0,0,2]=4 121 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [1,1,0,0,0,0|0,1,1]=4 122 B9R1.15 CNC1=C(C=CC=C1)F CDS000433 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|2,0,0]=4 125 B9R1.15 OCC1=C(C=NC=C1)F MNO000191 [1,1,0,0,0,0|2,0,0]=4 126 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,1,0,0,1,0|2,0,0]=4 127 B11R1.464 C(=O)C1=C(NC(=O)NC1=O)N CBR01912 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.167 CN(C)C1=C(C=NC(=O)N1)F CBR01644 [0,2,0,0,0,0|0,0,0]=2 129 B11R1.21 CC(=O)C1=CC=C(C(=C1)N)F JRD0487 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.21 NC(=O)C1=CC(=C(C=C1)F)N CBR01657 [0,2,0,0,0,0|2,0,0]=4 131 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,1,0|1,1,0]=4 132 B7R1.2 NC1=CC(=O)N=N1 S561037 [1,0,0,0,1,0|2,0,0]=4