0 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.69 CC1=C(C=CC(=N1)N)I ADE000318 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 CC1=C(C=CC(=N1)O)I BCH00049 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 CC1=C(C=NC(=C1)N)I ADE000313 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.69 CC1=C(N=C(N=C1)N)O CBR00408 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.69 CC1=C(N=C(N=C1)S)S S783498 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 CC1=CC(=NC=C1Cl)F CDS003110 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 CC1=CC(=NC=C1N)Br CDS022688 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 CC1=CC(=NC=C1N)Br PHB00200 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.69 CC1=NC(=CC=C1F)Br CDS002984 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 CC1=NC(=NC=C1Br)Cl CDS021234 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.69 ClC1=CC=C(N=C1Cl)Br ADE000573 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 ClC1=NC(=CC=C1I)Br ADE000551 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 FC1=C(C=CC(=N1)Cl)I BCH00052 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 NC1=CC(=C(C=N1)I)Cl ADE001302 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.69 NC1=CC=C(C(=C1)N)N PH019157 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.69 NC1=CC=C(C(=C1)N)N S836168 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.69 NC1=CC=C(C(=N1)Cl)Br ADE001344 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.69 NC1=CC=C(C(=N1)Cl)I ADE001343 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.69 NC1=CC=C(N=C1Cl)Br ADE000545 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.69 NC1=CC=C(N=C1Cl)I ADE000546 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.69 NC1=NC(=CC=C1Cl)Cl R428159 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.69 NC1=NC(=NC=C1Br)Cl CDS004249 [0,0,0,0,0,0|2,0,0]=2 43 B9R1.69 NC1=NC=C(C(=C1)Cl)Cl PHB00293 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.69 OC1=C(C=NC(=N1)S)Cl S173541 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.69 OC1=C(N=C(C=C1)I)I PH009991 [0,0,0,0,0,0|4,0,0]=4 46 B9R1.69 OC1=CC=C(N=C1Br)Br R584770 [0,0,0,0,0,0|4,0,0]=4 47 B9R1.69 OC1=CC=C(N=C1Br)I ADE000492 [0,0,0,0,0,0|4,0,0]=4 48 B9R1.69 OC1=CC=C(N=C1Cl)Br ADE000592 [0,0,0,0,0,0|4,0,0]=4 49 B9R1.69 OC1=NN=C(C(=N1)O)Br R688568 [0,0,0,0,0,0|4,0,0]=4 50 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.3 CC1=CNC(=O)C=C1 T162647 [1,0,0,0,0,0|2,0,1]=4 53 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.3 CC1=NN=C(N=N1)C T170577 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.3 ClC1=CN=C(N=C1)I SYX00017 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.3 ClC1=NC=C(C=N1)I SYX00335 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.3 FC1=NC=C(C=N1)Br CDS004432 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.3 FC1=NC=C(C=N1)Br SYX00292 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.3 NC1=CN=C(N=C1)Cl CDS009800 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.4 CC1=CC=CC(=C1)N R647047 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.4 CC1=CC=CC(=O)N1 S766364 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.4 CC1=CC=NC(=O)C1 S681601 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [1,0,0,0,0,0|0,0,0]=1 70 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.4 CC1=NC=NC(=C1)S R901148 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.4 NC1=CC(=O)N=CN1 ANV00026 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.4 NC1=NC=NC(=N1)N S367753 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.4 OC1=CC=CC(=N1)O S458678 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.5 CC1=C(C=NC=C1)Cl T161152 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.5 CC1=CC=NN=C1Cl PHB00234 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.5 CC1=CN=CC=C1N CDS003217 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.5 CC1=NC=CN=C1S PH014228 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.5 C[N+]1=CC=CN=C1N S142433 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.5 ClC1=CC=NC=C1Br CDS003116 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.5 FC1=CC=CN=C1I ADE000285 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.5 FC1=CN=CN=C1S S217271 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.5 IC1=CC=CN=C1I ADE000256 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.5 NC1=C(C=CC=C1)[S-] L133574 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.5 NC1=C(C=CN=C1)O CDS004728 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.5 NC1=C(C=NC=C1)O ADE000632 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.5 NC1=C(C=NC=N1)Br CDS020752 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.5 NC1=CC=CC=C1O S378569 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.5 NC1=CC=CN=C1O CDS007860 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.5 NC1=CC=NC=C1Cl CDS010711 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.5 OC1=C(C=CN=C1)Cl ADE000654 [1,0,0,0,0,0|3,0,0]=4 101 B8R1.5 OC1=C(C=NC=C1)I ADE000434 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.5 OC1=CN=CC=C1Br CDS021897 [1,0,0,0,0,0|3,0,0]=4 103 B8R1.5 OC1=NC=CC=C1F CDS019950 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)Cl CBR02211 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.22 CC1=C(C(=NC(=N1)N)Cl)I ANV00173 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.22 CC1=C(C(=NC(=N1)S)O)C PH000196 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.22 CC1=C(C=C(C=C1Br)Cl)N CDS023787 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CDS000400 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.22 CC1=CC(=C(C(=N1)C)Br)O R456772 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.22 CC1=CC(=C(C(=N1)C)Cl)O R746894 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.22 CC1=CC(=C(C(=N1)C)N)C CBR01290 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.22 CC1=CC(=C(C(=O)O1)C)O S763454 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.22 CC1=CC(=O)N(C(=C1)N)C T324760 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.22 CC1=CC(=O)N(C(=N1)C)C PH007968 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.22 CC1=CC(=[O+]C(=C1C)C)C S920193 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.22 CC1=NC(=C(C(=C1)O)C)O PH001768 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.22 CC1=NC(=C(C(=N1)C)C)Cl CBR01736 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.22 CC1=NC(=C(C(=N1)O)Br)O S216925 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.22 CC1=NC(=NC(=C1Br)C)Cl CDS021082 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.22 CC1=NC(=NC(=C1Br)C)N S885924 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.22 CC1=NC(=NC(=C1Br)O)O PH009737 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.22 CC1=NC(=NC(=C1C)C)N CBR00277 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.22 CC1=NC(=NC(=C1Cl)O)O S359440 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.22 NC1=NC(=C(C(=N1)Cl)I)O PH006449 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.22 NC1=NC(=C(C(=N1)O)N)N S540897 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.22 NC1=NC(=NC(=C1N)O)O S765945 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.25 CC1=CC(=C(C=C1)CBr)C CDS022039 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 CC1=CC(=C(C=C1)CCl)C T330094 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.25 CC1=NC(=C(C=N1)C#N)N CDS005325 [0,1,0,0,0,0|0,0,1]=2 130 B10R1.25 COC1=C(C=C(C=C1)N)N CDS000395 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 COC1=C(N=C(C=C1)N)Cl PHB00092 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 COC1=C(N=C(N=C1)N)O S108472 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.25 COC1=CC=C(C=C1N)Cl S392308 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.25 COC1=CC=C(N=C1Br)I ADE000467 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.25 COC1=CC=C(N=C1I)I ADE000548 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 COC1=CN=C(N=C1O)C S217115 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.25 COC1=CN=C(N=C1[O-])[S-] S217034 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.25 NC1=NC=C(C(=N1)N)C=O CDS013913 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.25 OCC1=CC=C(N=C1Cl)Cl KOB0069 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.30 CC1=C(N=C(C=C1)Cl)C=O ADE001377 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.30 CC1=CC(=C(C=C1)C)CN PH011334 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.30 CC1=CC(=C(C=C1)C)CO PH017013 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.30 CC1=CC=C(C=C1CN)Cl CDS002947 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.30 CC1=CC=C(C=C1NN)Cl S513245 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.30 CNC1=C(C=NC(=N1)Cl)F CBR00088 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.30 COC1=C(C=CC(=N1)C)Br CDS020912 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.30 COC1=C(C=NC(=N1)Cl)F CBR01803 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.30 COC1=NC(=O)NC=C1C T263567 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.118 CC1=C(C=C(C(=C1)N)Cl)N PH011350 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.118 CC1=C(C=C(C(=C1)N)N)Br SYX00266 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.118 CC1=C(C=C(C(=C1)N)N)Cl CDS019956 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.118 CC1=C(C=C(C(=C1)N)O)C CBR01735 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.118 CC1=C(C=C(C(=N1)N)I)I BCH00051 [0,1,0,0,0,0|2,0,0]=3 155 B10R1.118 CC1=C(C=C(C(=N1)N)N)Br S927333 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.118 CC1=C(N=C(C(=C1)O)Cl)I ADE000751 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.118 CC1=CC(=C(C=C1Cl)C)C S943592 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.118 CC1=CC(=C(C=C1I)C)I T304670 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.118 CC1=CC(=C(C=C1N)C)Br CDS022557 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.118 CC1=CC(=C(C=C1N)N)C R426733 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.118 CC1=CC(=C(C=C1O)C)C PH017204 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.118 CC1=CC(=C(C=C1O)C)S PH007453 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.118 NC1=NC(=C(C=C1I)Br)Cl ADE001357 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.119 CC1=C(C(=C(C=C1)Cl)N)Cl PH011039 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.119 CC1=CC=C(C(=C1C)Br)C T332577 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.119 CC1=CC=C(C(=C1C)N)N R228389 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.119 CC1=CC=C(C(=C1N)C)N R750859 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.119 NC1=C(C(=NC=C1I)Cl)I PHB00152 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.176 CC1=C(C=C(C=C1)CN)C CDS002514 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.176 CCC1=CC=C(C(=C1)N)O TMT00004 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.176 CNC1=CC(=C(C=N1)Br)C CDS022503 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.176 COC1=CC(=C(C=N1)N)C CDS017400 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.176 COC1=CC=C(C(=C1)N)Br CDS020665 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.176 COC1=NC(=O)N(C=C1)C S787183 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.176 CSC1=NC(=C(C=N1)Br)Cl S445827 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.176 CSC1=NC=C(C(=N1)O)Br S217026 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.176 CSC1=NC=C(C(=N1)O)Cl S217352 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.176 OCC1=CC(=C(C=N1)O)O CBR00377 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.176 OCC1=CC=C(C(=N1)Br)O ADE000154 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,0,0,0,1,0|3,0,0]=4 181 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,0,0,0,1,0|3,0,0]=4 182 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,0,0,0,1,0|3,0,0]=4 185 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,0,0,0,1,0|3,0,0]=4 186 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,0,0,0,1,0|2,0,1]=4 187 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,0,0,0,1,0|3,0,0]=4 189 B8R1.18 CC1=NC(=NN1C)Br CBR02160 [0,0,0,0,1,0|3,0,0]=4 190 B8R1.18 CC1=NC(=NN1C)Cl CBR02191 [0,0,0,0,1,0|3,0,0]=4 191 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,0,0,0,1,0|3,0,0]=4 192 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,0,0,0,1,0|3,0,0]=4 193 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,0,0,0,1,0|2,0,0]=3 194 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,0,0,0,1,0|2,0,0]=3 195 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,0,0,0,1,0|2,0,0]=3 196 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,0,0,0,1,0|2,0,0]=3 197 B8R1.18 CN1N=C(N=C1N)Cl CBR01692 [0,0,0,0,1,0|2,0,0]=3 198 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,0,0,0,1,0|2,0,1]=4 199 B8R1.50 CC1=C(C(=NN1)Br)Br S939463 [0,0,0,0,1,0|3,0,0]=4 200 B8R1.50 CC1=C(C(=NO1)N)C SYX00035 [0,0,0,0,1,0|3,0,0]=4 201 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,0,0,0,1,0|2,0,0]=3 202 B8R1.50 CC1=NNC(=C1N)C L203173 [0,0,0,0,1,0|1,0,0]=2 203 B8R1.50 CC1=NNC(=C1O)C S720429 [0,0,0,0,1,0|2,0,0]=3 204 B7R0.2 CS/C(=N/C(=O)C)/N PH014070 [1,0,1,0,0,0|2,0,0]=4 205 B7R1.3 CC1=CC=NC=C1 T256412 [2,0,0,0,0,0|2,0,0]=4 206 B7R1.3 CC1=CC=NC=C1 T330418 [2,0,0,0,0,0|2,0,0]=4 207 B7R1.3 NC1=CC=CC=C1 S698326 [2,0,0,0,0,0|2,0,0]=4 208 B7R1.3 NC1=CC=CC=N1 S822329 [2,0,0,0,0,0|1,0,0]=3 209 B7R1.3 NC1=CC=NN=C1 CDS006078 [2,0,0,0,0,0|2,0,0]=4 210 B7R1.3 OC1=CC=NC=C1 CDS013613 [2,0,0,0,0,0|2,0,0]=4 211 B7R1.3 SC1=NC=CC=N1 S565652 [2,0,0,0,0,0|1,0,0]=3 212 B9R0.7 CC(=C/C=C(\C)/C(=O)N)C S880884 [0,1,1,0,0,0|2,0,0]=4 213 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.1 C#CC1=NC=C(C=N1)Br CDS023608 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.1 C#CC1=NC=C(C=N1)Cl CDS021228 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.1 CC1=CC=C(C=C1)CS S369497 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [1,1,0,0,0,0|1,0,1]=4 219 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.1 CCC1=CN=C(N=C1)O CBR01415 [1,1,0,0,0,0|1,0,0]=3 221 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.1 CSC1=NC=C(C=N1)O S217581 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.1 N#CC1=NC=C(C=N1)Br ANV00019 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.2 C#CC1=NC(=NC=C1)Cl CDS023942 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.2 CC1=CC(=CC=N1)CO L499730 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [1,1,0,0,0,0|1,0,0]=3 235 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.2 CCC1=NC(=CC=C1)C S580031 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 CNC1=CC(=CC=C1)N S604097 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [1,1,0,0,0,0|1,0,0]=3 241 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [1,1,0,0,0,0|0,0,0]=2 244 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.2 CSC1=NC(=NC=N1)N CBR00308 [1,1,0,0,0,0|1,0,0]=3 246 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [1,1,0,0,0,0|0,0,0]=2 247 B9R1.2 CSC1=NC=CC(=N1)O S217336 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.2 CSC1=NC=CC(=N1)O S440043 [1,1,0,0,0,0|1,0,0]=3 249 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [1,1,0,0,0,0|2,0,0]=4 251 B9R1.2 NNC1=CC=CC(=N1)Cl SYX00272 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.2 NNC1=NC(=O)NC=C1 SYX00184 [1,1,0,0,0,0|1,0,1]=4 253 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.3 NC1=C(C(=NC=C1)Cl)I ADE000415 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.3 NC1=C(C(=NC=C1)F)Br PHB00158 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.3 NC1=C(C(=NC=C1)I)O ADE000631 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [1,1,0,0,0,0|1,0,0]=3 259 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [1,1,0,0,0,0|1,0,0]=3 263 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.34 NC1=CC(=NC(=N1)N)O R276863 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.34 NC1=CC(=NC(=N1)O)S S790060 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.34 NC1=NC(=CC(=C1)Cl)Cl CDS005457 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.34 NC1=NC(=NC(=N1)N)N R426555 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.34 NC1=NC(=NC(=N1)O)N R436623 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.15 CC1=C(C=CC=C1)NN R580260 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.15 CC1=C(C=NC=N1)C#N CBR01753 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,1,0,0,0,0|1,0,0]=3 279 B9R1.15 CC1=CC=NC=C1CN CDS013951 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 CC1=CN=CC=C1C=O CDS010214 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.15 COC1=CC=CC=C1N CDS000192 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.15 NC1=C(C=NC=C1)C=O ADE000099 [1,1,0,0,0,0|1,0,1]=4 289 B9R1.15 NC1=CC=NC=C1CO ADE000311 [1,1,0,0,0,0|1,0,0]=3 290 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,1,0,0,0,0|1,0,0]=3 291 B9R1.22 C/C=C/1\N=C(OC1=O)C S739499 [0,1,0,0,1,0|2,0,0]=4 292 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,1,0,0,1,0|2,0,0]=4 293 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,1,0,0,1,0|2,0,0]=4 294 B9R1.22 CC1=NN(C(=N1)CCl)C CBR02108 [0,1,0,0,1,0|2,0,0]=4 295 B9R1.22 CC1=NN(C=C1CCl)C CBR01550 [0,1,0,0,1,0|2,0,0]=4 296 B9R1.23 CC1=C(NC(=N1)CCl)C CBR01668 [0,1,0,0,1,0|1,0,1]=4 297 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,1,0,0,1,0|2,0,0]=4 298 B9R1.23 CC1=CC(=NN1C)CN CDS014686 [0,1,0,0,1,0|2,0,0]=4 299 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,1,0,0,1,0|2,0,0]=4 300 B9R1.23 CCN1C=C(C(=N1)C)N CBR01279 [0,1,0,0,1,0|2,0,0]=4 301 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,1,0,0,1,0|2,0,0]=4 302 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,1,0,0,1,0|1,0,1]=4 303 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,1,0,0,1,0|2,0,0]=4 304 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,1,0,0,1,0|2,0,0]=4 305 B9R1.27 C(=O)C1=C(NN=C1C)C CBR00099 [0,1,0,0,1,0|2,0,0]=4 306 B9R1.27 CC1=C(N(N=C1)C)C=O CBR01828 [0,1,0,0,1,0|2,0,0]=4 307 B9R1.27 CC1=NNC(=C1CN)C CBR00698 [0,1,0,0,1,0|1,0,0]=3 308 B9R1.27 CC1=NNC(=C1CN)C OTV000648 [0,1,0,0,1,0|1,0,0]=3 309 B9R1.27 CC1=NNC(=C1CO)C CBR01589 [0,1,0,0,1,0|2,0,0]=4 310 B9R1.27 CC1=NOC(=C1C=O)C CDS013605 [0,1,0,0,1,0|2,0,0]=4 311 B9R1.27 CC1=NOC(=C1CBr)C CDS019604 [0,1,0,0,1,0|2,0,0]=4 312 B9R1.27 CC1=NOC(=C1CN)C CBR01039 [0,1,0,0,1,0|1,0,0]=3 313 B9R1.27 CC1=NOC(=C1CN)C CDS016657 [0,1,0,0,1,0|1,0,0]=3 314 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,1,0,0,1,0|2,0,0]=4 315 B9R1.132 CC1=C(C=NN1C)CCl CBR01537 [0,1,0,0,1,0|2,0,0]=4 316 B9R1.132 CCN1N=CC(=C1N)C CBR01381 [0,1,0,0,1,0|1,0,0]=3 317 B11R1.8 CCC1=NC(=CC(=C1O)N)C L211184 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.14 CSC1=NC(=C(C(=N1)Cl)Br)C CDS020840 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.14 CSC1=NC(=C(C(=N1)N)I)N ANV00137 [0,2,0,0,0,0|1,0,0]=3 320 B11R1.14 CSC1=NC(=C(C(=N1)O)O)C R262862 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.32 CC1=C(C(=C(C(=C1)Br)C)Br)N R289779 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.32 CC1=C(C(=C(C(=N1)N)Br)C)Br L163058 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.32 CC1=CC(=C(C(=C1C)Br)N)C S943614 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.32 CC1=NC(=C(C(=C1C)C)C)C R252581 [0,2,0,0,0,0|2,0,0]=4 325 B11R1.464 C(=O)C1=C(N=C(N=C1N)N)O CBR02336 [0,2,0,0,0,0|1,0,1]=4 326 B11R1.464 CC1=C(C(=NC(=N1)O)O)CO R434728 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.464 CC1=NC(=C(C(=N1)Cl)C=O)Cl PH016215 [0,2,0,0,0,0|1,0,1]=4 328 B11R1.464 CCC1=C(N=C(N=C1O)S)O S580376 [0,2,0,0,0,0|2,0,0]=4 329 B11R1.464 NC1=NC(=C(C(=N1)N)N=O)O S415715 [0,2,0,0,0,0|2,0,0]=4 330 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,2,0,0,0,0|2,0,0]=4 331 B11R1.81 CCCC1=C(N=C(N=C1)C)Cl CBR00552 [0,2,0,0,0,0|1,0,0]=3 332 B11R1.81 COCC1=C(N=C(N=C1)C)O PH003344 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.166 CC1=NC=C(C(=N1)N)C(=O)N PH016867 [0,2,0,0,0,0|0,0,1]=3 334 B11R1.277 CCC1=C(C=C([N+](=C1)[O-])C)N S320536 [0,2,0,0,0,0|1,0,1]=4 335 B11R1.277 COC1=CC(=C(C=C1N)C)Cl PH011485 [0,2,0,0,0,0|2,0,0]=4 336 B11R1.279 CCC1=CC(=C(C=C1)CC)N PH010292 [0,2,0,0,0,0|2,0,0]=4 337 B11R1.279 COC1=CC=C(N=C1Br)CO ADE000219 [0,2,0,0,0,0|2,0,0]=4 338 B11R1.279 COC1=CN=C(N=C1Cl)SC S217344 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.279 COC1=CN=C(N=C1O)SC T121126 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [0,2,0,0,0,0|2,0,0]=4 341 B11R1.167 CC1=CN=C(N=C1C(=O)O)Cl CDS021233 [0,2,0,0,0,0|2,0,0]=4 342 B11R1.167 CC1=CN=C(N=C1C(C)C)Cl PH018547 [0,2,0,0,0,0|2,0,0]=4 343 B11R1.167 CC1=CN=C(N=C1N(C)C)Cl CBR00335 [0,2,0,0,0,0|1,0,0]=3 344 B11R1.167 CN(C)C1=NC(=NC=C1Br)Cl SYX00273 [0,2,0,0,0,0|2,0,0]=4 345 B11R1.182 C(=O)NC1=C(C=CC(=C1)C)C S576549 [0,2,0,0,0,0|2,0,0]=4 346 B11R1.21 CC(=O)C1=CC(=C(C=C1)C)N CBR02053 [0,2,0,0,0,0|2,0,0]=4 347 B11R1.21 CC(C)C1=NC=C(C(=N1)Cl)F PH018925 [0,2,0,0,0,0|2,0,0]=4 348 B11R2.36 ClC1=NC2=C(C=CN2)C=N1 ANV00113 [0,1,0,1,0,0|1,0,1]=4 349 B11R2.36 NC1=NC2=C(C=N1)CCC2 CBR00289 [0,1,0,1,0,0|2,0,0]=4 350 B11R2.36 NC1=NC=C2CCOC2=N1 CBR00170 [0,1,0,1,0,0|2,0,0]=4 351 B11R2.117 CC1=CC=C2CC(C2=N1)C T174130 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.2 CC1=CSC(=N1)Br CDS007616 [1,0,0,0,1,0|2,0,0]=4 353 B7R1.2 CC1=CSC(=N1)N S366536 [1,0,0,0,1,0|2,0,0]=4 354 B7R1.2 CC1=NC(=NO1)N CBR00048 [1,0,0,0,1,0|2,0,0]=4 355 B7R1.2 CC1=NC=C(N1)I ANV00066 [1,0,0,0,1,0|1,0,1]=4 356 B7R1.2 CC1=NNC(=C1)N CDS004036 [1,0,0,0,1,0|2,0,0]=4 357 B7R1.2 CC1=NNC(=N1)N CDS020216 [1,0,0,0,1,0|2,0,0]=4 358 B7R1.2 CC1=NOC(=N1)C PH016136 [1,0,0,0,1,0|1,0,0]=3 359 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [1,0,0,0,1,0|2,0,0]=4 360 B7R1.2 CN1C=C(C=N1)N CDS019978 [1,0,0,0,1,0|2,0,0]=4 361 B7R1.2 CN1C=NC(=N1)Br CBR01814 [1,0,0,0,1,0|2,0,0]=4 362 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [1,0,0,0,1,0|2,0,0]=4 363 B7R1.2 CN1C=NC(=N1)N CBR00751 [1,0,0,0,1,0|2,0,0]=4 364 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,0,0,0,1,0|1,0,1]=4 365 B7R1.4 CC1=NNC=C1I BML00217 [1,0,0,0,1,0|2,0,0]=4 366 B7R1.4 CN1N=CC=C1Br CBR02073 [1,0,0,0,1,0|2,0,0]=4