0 B7R1.2 BrC1=CC=C(O1)Br CDS000239 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.2 BrC1=COC(=C1)Br T266507 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 CC1=CSC(=N1)Br CDS007616 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 CC1=CSC(=N1)N S366536 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 CC1=NC(=NO1)N CBR00048 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.2 CC1=NC=C(N1)I ANV00066 [0,0,0,0,0,0|2,0,0]=2 6 B7R1.2 CC1=NN=C(N1)N CDS003576 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=NN=C(O1)N PH010741 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.2 CC1=NN=C(S1)Cl CBR01742 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 CC1=NN=C(S1)O CBR01599 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.2 CC1=NNC(=C1)N CDS004036 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 CC1=NNC(=N1)N CDS020216 [0,0,0,0,0,0|3,0,1]=4 12 B7R1.2 CC1=NOC(=N1)C PH016136 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 CC1=NSC(=N1)Cl BBO000670 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1CCC(N1)C S652032 [0,0,0,0,0,0|0,0,4]=4 15 B7R1.2 CC1COC(=O)N1 CBR01603 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.2 CN1C=C(C=N1)N CDS019978 [0,0,0,0,0,0|4,0,0]=4 17 B7R1.2 CN1C=CC(=N1)Br SYX00074 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.2 CN1C=CC(=N1)N CDS013782 [0,0,0,0,0,0|2,0,1]=3 19 B7R1.2 CN1C=NC(=N1)Br CBR01814 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CN1C=NC(=N1)Cl CBR02195 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CN1C=NC(=N1)N CBR00751 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 C[C@H]1CC[C@H](N1)C PH016832 [0,0,0,0,0,0|0,0,4]=4 23 B7R1.2 C[C@H]1COC(=O)N1 ANV00127 [0,0,0,0,0,0|2,0,2]=4 24 B7R1.2 ClC1=CSC(=N1)Cl KOB0068 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.2 ClC1=NC(=CS1)Br SYX00210 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 ClC1=NC=C(S1)Br SYX00075 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 N=C1NC(=S)SS1 S64662 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.2 NC1=NC=C(S1)Cl CDS021716 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.2 O=C1C=CC(=O)O1 S453374 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.2 OC1=NN=C(N1)S CDS012623 [0,0,0,0,0,0|4,0,0]=4 31 B6R1.2 BrC1=CC=CO1 CDS020809 [1,0,0,0,0,0|2,0,0]=3 32 B6R1.2 BrC1=NOC=C1 CDS005417 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 CC1=CC=NN1 CDS002430 [1,0,0,0,0,0|1,0,0]=2 34 B6R1.2 CC1=COC=C1 CDS019631 [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 CC1=NC=CS1 CDS000301 [1,0,0,0,0,0|1,0,1]=3 36 B6R1.2 CC1=NNC=N1 CDS020176 [1,0,0,0,0,0|2,0,1]=4 37 B6R1.2 IC1=NNC=C1 BML00254 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 N1C=CN=C1N CDS020502 [1,0,0,0,0,0|2,0,0]=3 39 B6R1.2 NC1=CN=CS1 CDS008189 [1,0,0,0,0,0|3,0,0]=4 40 B6R1.2 NC1=CSC=C1 PHB00043 [1,0,0,0,0,0|3,0,0]=4 41 B6R1.2 NC1=NC=CS1 R646520 [1,0,0,0,0,0|2,0,1]=4 42 B6R1.2 NC1=NN=CN1 CDS019982 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 NN1C=CC=C1 CDS000078 [1,0,0,0,0,0|3,0,0]=4 44 B6R1.2 O=C1CC=CC1 CDS003851 [1,0,0,0,0,0|2,0,1]=4 45 B6R1.2 O=C1NC=CN1 CBR02030 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 OC1=NSC=C1 CDS008627 [1,0,0,0,0,0|2,0,1]=4 47 B6R1.2 S=C1NC=CS1 PH000321 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.1 CC1=CC(=CS1)CO TMT00554 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.1 CC1=CC(=NO1)CO L482684 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.1 CC1=CN=C(O1)CN CDS008557 [0,1,0,0,0,0|2,0,0]=3 51 B8R1.1 CC1=CN=C(S1)C=O CDS011813 [0,1,0,0,0,0|2,0,1]=4 52 B8R1.1 CC1=CN=C(S1)CN CDS011809 [0,1,0,0,0,0|2,0,0]=3 53 B8R1.1 CC1=NC(=CO1)CO CBR02085 [0,1,0,0,0,0|1,0,1]=3 54 B8R1.1 CC1=NC(=CS1)CN CBR00687 [0,1,0,0,0,0|1,0,1]=3 55 B8R1.1 CC1=NC(=NO1)CBr CBR02188 [0,1,0,0,0,0|2,0,1]=4 56 B8R1.1 CC1=NC(=NO1)CN CBR01043 [0,1,0,0,0,0|2,0,1]=4 57 B8R1.1 CC1=NN=C(O1)CCl CDS022277 [0,1,0,0,0,0|3,0,0]=4 58 B8R1.1 CC1=NN=C(O1)CO CBR01937 [0,1,0,0,0,0|3,0,0]=4 59 B8R1.1 CC1=NNC(=C1)CN CBR01017 [0,1,0,0,0,0|3,0,0]=4 60 B8R1.1 CC1=NNC(=N1)CCl CBR02414 [0,1,0,0,0,0|2,0,1]=4 61 B8R1.1 CC1=NNC(=N1)CN PH017721 [0,1,0,0,0,0|2,0,1]=4 62 B8R1.1 CC1=NNC(=N1)CO CBR02415 [0,1,0,0,0,0|2,0,1]=4 63 B8R1.1 CC1=NOC(=C1)CN CBR00041 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.1 CC1=NOC(=N1)CCl CDS019758 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.1 CC1=NOC(=N1)CN CDS010118 [0,1,0,0,0,0|2,0,1]=4 66 B8R1.1 CCC1=CSC(=N1)N CBR01525 [0,1,0,0,0,0|2,0,1]=4 67 B8R1.1 CCC1=CSC(=S)N1 PH006951 [0,1,0,0,0,0|2,0,0]=3 68 B8R1.1 CCC1=NN=C(N1)S CDS017489 [0,1,0,0,0,0|3,0,0]=4 69 B8R1.1 CN1C=C(C=N1)CCl CBR01696 [0,1,0,0,0,0|3,0,0]=4 70 B8R1.1 CN1C=CC(=C1)C#N CBR01777 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.1 CN1C=NC(=C1)CN CDS017640 [0,1,0,0,0,0|3,0,0]=4 72 B8R1.1 CN1C=NC(=C1)CO CDS017610 [0,1,0,0,0,0|3,0,0]=4 73 B8R1.1 CNC1=NC=C(S1)Br CBR01741 [0,1,0,0,0,0|3,0,0]=4 74 B8R1.1 COC1=CN=C(S1)N CDS021689 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.1 COC1=NC(=CS1)Br SYX00375 [0,1,0,0,0,0|2,0,1]=4 76 B8R1.1 COC1=NC=C(S1)Br SYX00323 [0,1,0,0,0,0|3,0,0]=4 77 B8R1.1 CSC1=NC(=CS1)Br SYX00338 [0,1,0,0,0,0|2,0,1]=4 78 B8R1.1 ClCC1=CSC(=N1)Cl SYX00330 [0,1,0,0,0,0|2,0,1]=4 79 B8R1.1 Cl[Hg]C1=CC=C(O1)Cl S814490 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.1 NCC1=CC=C(S1)Br CDS007961 [0,1,0,0,0,0|2,0,0]=3 81 B8R1.1 NCC1=CC=C(S1)Cl CDS013426 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.1 NCC1=NNC(=O)N1 CBR02276 [0,1,0,0,0,0|3,0,0]=4 83 B8R1.1 OCC1=CC(=CS1)Br CDS016046 [0,1,0,0,0,0|3,0,0]=4 84 B8R1.1 OCC1=CC=C(S1)F PHB00247 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.1 OCC1=CN=C(S1)Br SYX00336 [0,1,0,0,0,0|3,0,0]=4 86 B8R1.1 OCC1=CN=C(S1)Cl CDS013997 [0,1,0,0,0,0|3,0,0]=4 87 B8R1.1 OCC1=CSC(=N1)Br SYX00394 [0,1,0,0,0,0|2,0,1]=4 88 B8R1.18 BrC1=CC(=C(O1)Br)Br PH002979 [0,1,0,0,0,0|3,0,0]=4 89 B8R1.18 CC1=C(OC(=O)O1)C TMT00459 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.18 CC1=C(SC(=N1)Br)Br SYX00151 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.18 CC1=C(SC(=N1)N)Br SYX00305 [0,1,0,0,0,0|2,0,1]=4 92 B8R1.18 CC1=C(SC(=N1)N)C S139696 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.18 CC1=C(SC(=N1)N)F CDS024376 [0,1,0,0,0,0|2,0,1]=4 94 B8R1.18 CC1=C(SC(=N1)S)C PH009931 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.18 CC1=CC(=C(O1)C)S CDS013831 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.18 CC1=CC(=O)C(O1)C CDS000654 [0,1,0,0,0,0|1,0,1]=3 97 B8R1.18 CC1=CC(=O)NC1=O PH010527 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.18 CC1=NC(=C(S1)Br)C CDS020883 [0,1,0,0,0,0|1,0,1]=3 99 B8R1.18 CC1=NC(=CN1C)Br CDS007637 [0,1,0,0,0,0|2,0,1]=4 100 B8R1.18 CC1=NN(C(=C1)Br)C PHB00168 [0,1,0,0,0,0|1,0,1]=3 101 B8R1.18 CC1=NN(C(=C1)Cl)C R435937 [0,1,0,0,0,0|1,0,1]=3 102 B8R1.18 CC1=NN(C(=N1)Br)C CBR02189 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.18 CC1=NN(C(=N1)Cl)C CBR02184 [0,1,0,0,0,0|2,0,1]=4 104 B8R1.18 CC1=NN(C=C1N)C CDS015732 [0,1,0,0,0,0|1,0,1]=3 105 B8R1.18 CN1C=C(C(=N1)N)N CBR01718 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.18 N1C(=NC(=C1I)I)C ANV00245 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.18 O=C1NC(=S)NC1=O S763624 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.50 CC1=CC=[N+](N1C)C R461717 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.50 CC1=NNC(=C1C)C CBR00071 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.50 CC1=NNC(=C1N)C L203173 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.50 CC1=NNC(=C1O)C S720429 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.50 CN1C(=CN=C1I)I SYX00402 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.51 CC1(C=CC(=C1)Br)C T258652 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.2 C=C(C)CC(C)C R289256 [0,0,1,0,0,0|1,0,2]=4 115 B6R0.2 CC(=N)CC(=O)C S366234 [0,0,1,0,0,0|3,0,0]=4 116 B6R0.2 CC(=O)NC(C)C S378992 [0,0,1,0,0,0|1,0,2]=4 117 B6R0.2 CC(=O)SC(=O)C R425621 [0,0,1,0,0,0|3,0,0]=4 118 B6R0.4 CC/C=C/C(=O)Cl PH009861 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.4 CCCC=C(C)C S419117 [0,0,1,0,0,0|1,0,2]=4 120 B8R1.3 CC1=CN=C(N=C1)N CDS009715 [0,0,0,0,0,1|2,0,1]=4 121 B8R1.3 CC1=CN=C(N=C1)O CBR01548 [0,0,0,0,0,1|2,0,1]=4 122 B8R1.3 CC1=CNC(=O)C=C1 T162647 [0,0,0,0,0,1|1,0,0]=2 123 B8R1.3 CC1=NC=C(C=N1)Br CDS022509 [0,0,0,0,0,1|2,0,1]=4 124 B8R1.3 CC1=NN=C(C=C1)N CDS005355 [0,0,0,0,0,1|1,0,1]=3 125 B8R1.3 CC1=NN=C(N=N1)C T170577 [0,0,0,0,0,1|2,0,1]=4 126 B8R1.3 CC1=NNC(=O)C=C1 CDS000691 [0,0,0,0,0,1|1,0,0]=2 127 B8R1.3 CC1=NNC(=O)CC1 R750921 [0,0,0,0,0,1|1,0,2]=4 128 B8R1.3 ClC1=CC=C(N=C1)Br T138401 [0,0,0,0,0,1|2,0,1]=4 129 B8R1.3 ClC1=CC=C(N=N1)I KOB0085 [0,0,0,0,0,1|2,0,1]=4 130 B8R1.3 ClC1=CN=C(C=C1)I SYX00319 [0,0,0,0,0,1|2,0,1]=4 131 B8R1.3 N1C=C(C=CC1=O)N ANV00289 [0,0,0,0,0,1|2,0,0]=3 132 B8R1.3 NC1=CC=C(C=C1)F S414190 [0,0,0,0,0,1|3,0,0]=4 133 B8R1.3 NC1=CC=C(C=C1)N S706698 [0,0,0,0,0,1|3,0,0]=4 134 B8R1.3 NC1=CC=C(N=C1)O CDS014034 [0,0,0,0,0,1|2,0,1]=4 135 B8R1.3 O=C1C=CC(=CN1)Cl T166464 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.3 OC1=CC=C(N=N1)Cl CVT00040 [0,0,0,0,0,1|2,0,1]=4 137 B8R1.3 OC1=CC=C(N=N1)Cl SYX00271 [0,0,0,0,0,1|2,0,1]=4 138 B8R1.3 [S-]C1=CC=C(C=C1)Br S530441 [0,0,0,0,0,1|3,0,0]=4 139 B8R1.4 CC1=CC(=O)NC=C1 T162655 [0,0,0,0,0,1|2,0,0]=3 140 B8R1.4 CC1=CC=CC(=C1)N R647047 [0,0,0,0,0,1|2,0,0]=3 141 B8R1.4 CC1=CC=CC(=O)N1 S766364 [0,0,0,0,0,1|1,0,0]=2 142 B8R1.4 CC1=CC=NC(=O)C1 S681601 [0,0,0,0,0,1|2,0,0]=3 143 B8R1.4 CC1=CCCC(=O)C1 PH000095 [0,0,0,0,0,1|2,0,1]=4 144 B8R1.4 CC1=C[N+](=CC=C1)C S619396 [0,0,0,0,0,1|2,0,0]=3 145 B8R1.4 CC1=NC(=CC=N1)Cl PHB00236 [0,0,0,0,0,1|1,0,1]=3 146 B8R1.4 CC1=NC(=CC=N1)N CDS014871 [0,0,0,0,0,1|1,0,1]=3 147 B8R1.4 CC1=NC(=CN=C1)Cl ANV00028 [0,0,0,0,0,1|1,0,1]=3 148 B8R1.4 CC1=NC(=CN=C1)Cl CDS013631 [0,0,0,0,0,1|1,0,1]=3 149 B8R1.4 CC1=NC=NC(=C1)S R901148 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 ClC1=CC(=CN=C1)I ADE000367 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 ClC1=CN=CC(=N1)Br ANV00065 [0,0,0,0,0,1|2,0,1]=4 152 B8R1.4 ClC1=NC(=CC=C1)I ADE000334 [0,0,0,0,0,1|2,0,1]=4 153 B8R1.4 FC1=CC=CC(=N1)Br CDS002875 [0,0,0,0,0,1|2,0,1]=4 154 B8R1.4 IC1=CN=CC(=N1)I SYX00011 [0,0,0,0,0,1|2,0,1]=4 155 B8R1.4 NC1=CC(=CN=C1)Cl ANV00078 [0,0,0,0,0,1|3,0,0]=4 156 B8R1.4 NC1=CC(=CN=C1)I ADE000379 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 NC1=CC=CC(=C1)Cl S642665 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 NC1=CC=CC(=N1)O CDS008897 [0,0,0,0,0,1|2,0,1]=4 159 B8R1.4 NC1=CC=NC(=C1)O CDS020248 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 NC1=NC(=CC=C1)I ADE000340 [0,0,0,0,0,1|2,0,1]=4 161 B8R1.4 NC1=NC(=CN=C1)Cl CDS013619 [0,0,0,0,0,1|2,0,1]=4 162 B8R1.4 O=C1C=C(C=CN1)I KOB0152 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.4 OC1=CC=CC(=N1)O S458678 [0,0,0,0,0,1|2,0,1]=4 164 B8R1.4 OC1=CN=CC(=C1)F CDS006721 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 OC1=CN=CC(=C1)I ADE000435 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 OC1=NC(=CN=C1)Cl CBR01733 [0,0,0,0,0,1|2,0,1]=4 167 B5R0.1 C=C(C)CSC S866024 [1,0,1,0,0,0|2,0,0]=4 168 B5R0.1 C=COC(=O)C S458201 [1,0,1,0,0,0|2,0,0]=4 169 B5R0.1 CC(=O)/C=C\N S312274 [1,0,1,0,0,0|2,0,0]=4 170 B5R0.2 C=CCNCC PH014544 [1,0,1,0,0,0|0,0,2]=4 171 B5R1.1 C1=CCNC1 ANV00248 [2,0,0,0,0,0|0,0,2]=4 172 B7R0.2 C=CC(C)OC(=O)C S413755 [0,1,1,0,0,0|1,0,1]=4 173 B7R0.2 CC(=O)NC(C)C=O PH018360 [0,1,1,0,0,0|1,0,1]=4 174 B7R0.16 C=C(C)C(C)C(=O)C S304417 [0,1,1,0,0,0|2,0,0]=4 175 B7R0.16 CC(=O)N(C)C(=O)C S511196 [0,1,1,0,0,0|2,0,0]=4 176 B7R0.4 C/C=C/C=C\C(C)O T211419 [0,1,1,0,0,0|1,0,1]=4 177 B7R0.4 CCC/C=C/C(=O)C CDS001219 [0,1,1,0,0,0|1,0,1]=4 178 B7R0.4 CCC/C=C/C(=O)N PH008310 [0,1,1,0,0,0|1,0,1]=4 179 B7R0.6 C(=C\C(=O)N)\C(=O)N S753254 [0,1,1,0,0,0|2,0,0]=4 180 B7R1.1 BrCC1=CSC=C1 CDS022029 [1,1,0,0,0,0|2,0,0]=4 181 B7R1.1 C#CC1=CC=CS1 CDS010938 [1,1,0,0,0,0|1,0,1]=4 182 B7R1.1 C#CC1=CC=NN1 CDS015894 [1,1,0,0,0,0|1,0,1]=4 183 B7R1.1 CSC1=CC=CS1 R436550 [1,1,0,0,0,0|1,0,0]=3 184 B7R1.1 ClCC1=CN=CS1 CBR02473 [1,1,0,0,0,0|2,0,0]=4 185 B7R1.1 ClCC1=CNC=N1 CBR00821 [1,1,0,0,0,0|1,0,1]=4 186 B7R1.1 ClCC1=CSC=N1 SYX00282 [1,1,0,0,0,0|1,0,1]=4 187 B7R1.1 ClCC1=NC=CS1 CBR01833 [1,1,0,0,0,0|1,0,1]=4 188 B7R1.1 Cl[Hg]C1=CC=CO1 S813176 [1,1,0,0,0,0|2,0,0]=4 189 B7R1.1 Cl[Hg]C1=CC=CS1 S815802 [1,1,0,0,0,0|2,0,0]=4 190 B7R1.1 N#CC1=CN=CN1 CDS006565 [1,1,0,0,0,0|1,0,1]=4 191 B7R1.1 NCC1=CN=CS1 CDS007657 [1,1,0,0,0,0|2,0,0]=4 192 B7R1.1 NCC1=COC=C1 CDS008929 [1,1,0,0,0,0|2,0,0]=4 193 B7R1.1 NCC1=NC=CS1 CDS023086 [1,1,0,0,0,0|1,0,1]=4 194 B7R1.1 NCC1=NC=CS1 PHB00196 [1,1,0,0,0,0|1,0,1]=4 195 B7R1.1 O=CC1=CC=NN1 CDS003145 [1,1,0,0,0,0|1,0,1]=4 196 B7R1.1 OCC1=CC=CN1 CDS009556 [1,1,0,0,0,0|0,0,0]=2 197 B7R1.1 OCC1=CN=CS1 CDS004659 [1,1,0,0,0,0|2,0,0]=4 198 B7R1.1 OCC1=NOC=C1 PHB00207 [1,1,0,0,0,0|1,0,1]=4 199 B7R1.1 SCC1=CC=CS1 CDS000069 [1,1,0,0,0,0|1,0,0]=3 200 B7R1.4 BrC1=C(NC=N1)Br S802263 [1,1,0,0,0,0|2,0,0]=4 201 B7R1.4 CC1=C(C=NN1)N CBR02396 [1,1,0,0,0,0|1,0,0]=3 202 B7R1.4 CC1=C(C=NO1)I CDS015521 [1,1,0,0,0,0|2,0,0]=4 203 B7R1.4 CC1=C(N=CN1)Br CDS022318 [1,1,0,0,0,0|1,0,0]=3 204 B7R1.4 CC1=NNC=C1I BML00217 [1,1,0,0,0,0|1,0,1]=4 205 B7R1.4 CN1C=CN=C1Cl CDS018561 [1,1,0,0,0,0|2,0,0]=4 206 B7R1.4 CN1C=CN=C1I ANV00120 [1,1,0,0,0,0|2,0,0]=4 207 B7R1.4 CN1C=CN=C1I CDS005078 [1,1,0,0,0,0|2,0,0]=4 208 B7R1.4 CN1C=CN=C1N CBR02443 [1,1,0,0,0,0|2,0,0]=4 209 B7R1.4 CN1C=CSC1=N S945749 [1,1,0,0,0,0|2,0,0]=4 210 B7R1.4 CN1N=CC=C1Br CBR02073 [1,1,0,0,0,0|1,0,1]=4 211 B7R1.4 NC1=C(NN=C1)N CBR02117 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.1 C#CC1=CC=C(C=N1)C CBR02071 [0,1,0,0,0,1|0,0,2]=4 213 B9R1.1 C#CC1=CC=C(N=C1)C CDS023335 [0,1,0,0,0,1|0,0,2]=4 214 B9R1.1 CC1=CC=C(C=C1)CS S369497 [0,1,0,0,0,1|1,0,0]=3 215 B9R1.1 CC1=CC=C(C=C1)S[TlH2] S828378 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.1 CC1=CC=C(C=C1)[Hg]Cl S706736 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.1 CC1=CC=C(N=C1)C=O SYX00325 [0,1,0,0,0,1|0,0,2]=4 218 B9R1.1 CC1=CC=C(N=C1)CN CDS009272 [0,1,0,0,0,1|0,0,1]=3 219 B9R1.1 CNC1=CC=C(C=C1)N TMT00162 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.1 CNC1=CC=C(C=C1)[O-] R580708 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.1 COC1=CC=C(N=C1)Cl CDS005073 [0,1,0,0,0,1|1,0,1]=4 222 B9R1.1 COC1=CC=C(N=C1)N CDS022493 [0,1,0,0,0,1|1,0,1]=4 223 B9R1.1 COC1=CC=[N+](C=C1)C S523216 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.1 COC1=CN=C(C=C1)I SYX00320 [0,1,0,0,0,1|1,0,1]=4 225 B9R1.1 CSC1=CC=C(C=C1)Cl S633658 [0,1,0,0,0,1|2,0,0]=4 226 B9R1.1 CSC1=CC=C(C=C1)N S418595 [0,1,0,0,0,1|2,0,0]=4 227 B9R1.1 CSC1=CC=C(N=C1)Br CBR00035 [0,1,0,0,0,1|1,0,1]=4 228 B9R1.1 CSC1=NN=C(C=C1)Cl L163783 [0,1,0,0,0,1|1,0,1]=4 229 B9R1.1 NC1=NC=C(C=C1)CO MNO000168 [0,1,0,0,0,1|1,0,1]=4 230 B9R1.1 NCC1=CC=C(C=C1)F R750263 [0,1,0,0,0,1|2,0,0]=4 231 B9R1.1 NCC1=CC=C(C=C1)I CDS000797 [0,1,0,0,0,1|2,0,0]=4 232 B9R1.1 O=CC1=CNC(=O)C=C1 CDS007603 [0,1,0,0,0,1|1,0,1]=4 233 B9R1.69 CC1=C(C=C(C=C1)Cl)N R304832 [0,1,0,0,0,1|2,0,0]=4 234 B9R1.69 CC1=C(C=C(C=C1)Cl)N S507989 [0,1,0,0,0,1|2,0,0]=4 235 B9R1.69 CC1=C(C=C(C=C1)F)O CDS003102 [0,1,0,0,0,1|2,0,0]=4 236 B9R1.69 CC1=C(C=C(C=C1)I)Cl CDS013761 [0,1,0,0,0,1|2,0,0]=4 237 B9R1.69 CC1=C(N=C(C=C1)Br)C CBR01845 [0,1,0,0,0,1|1,0,1]=4 238 B9R1.69 CC1=C(N=C(C=C1)Cl)I ADE001345 [0,1,0,0,0,1|1,0,1]=4 239 B9R1.69 CC1=CC(=C(C=C1)Br)Cl CDS003121 [0,1,0,0,0,1|2,0,0]=4 240 B9R1.69 CC1=CC(=C(C=C1)Cl)C T332828 [0,1,0,0,0,1|2,0,0]=4 241 B9R1.69 CC1=CC(=C(N=C1)F)I SYX00020 [0,1,0,0,0,1|1,0,1]=4 242 B9R1.69 CC1=CC=C(C(=C1)Br)N S741949 [0,1,0,0,0,1|2,0,0]=4 243 B9R1.69 CC1=CC=C(C(=C1)Br)N S908630 [0,1,0,0,0,1|2,0,0]=4 244 B9R1.69 CC1=CC=C(C(=C1)F)O CDS010738 [0,1,0,0,0,1|2,0,0]=4 245 B9R1.69 CC1=CC=C(C(=C1)I)I S943894 [0,1,0,0,0,1|2,0,0]=4 246 B9R1.69 CC1=CC=C(C(=C1)N)N S446149 [0,1,0,0,0,1|2,0,0]=4 247 B9R1.69 CC1=CC=C(C=C1F)O CDS000245 [0,1,0,0,0,1|2,0,0]=4 248 B9R1.69 CC1=CN=C(C(=C1)C)Br KOB0174 [0,1,0,0,0,1|1,0,1]=4 249 B9R1.69 CC1=CN=C(C(=C1)C)N CBR01685 [0,1,0,0,0,1|1,0,1]=4 250 B9R1.69 CC1=CN=C(C(=C1)Cl)Cl ADE000749 [0,1,0,0,0,1|1,0,1]=4 251 B9R1.69 CC1=CN=C(C(=C1)I)Cl ADE000728 [0,1,0,0,0,1|1,0,1]=4 252 B9R1.69 CC1=CN=C(C(=C1)I)N ADE000412 [0,1,0,0,0,1|1,0,1]=4 253 B9R1.69 CC1=CN=C(C(=C1)I)O ADE000727 [0,1,0,0,0,1|1,0,1]=4 254 B9R1.69 CC1=CN=C(C(=C1)O)Cl ADE000745 [0,1,0,0,0,1|1,0,1]=4 255 B9R1.69 CC1=CN=C(C=C1I)Cl ADE000739 [0,1,0,0,0,1|1,0,1]=4 256 B9R1.69 CC1=CN=C(C=[N+]1C)C S334995 [0,1,0,0,0,1|1,0,1]=4 257 B9R1.69 CC1=CNC(=S)NC1=O R427195 [0,1,0,0,0,1|2,0,0]=4 258 B9R1.69 CC1=NC(=C(C=C1)Br)F CDS021914 [0,1,0,0,0,1|1,0,1]=4 259 B9R1.69 CC1=NC(=C(C=C1)F)Br AGN00010 [0,1,0,0,0,1|1,0,1]=4 260 B9R1.69 CC1=NC(=C(C=C1)O)C S291315 [0,1,0,0,0,1|1,0,1]=4 261 B9R1.69 CC1=NC(=C(C=N1)C)Cl CBR00286 [0,1,0,0,0,1|1,0,1]=4 262 B9R1.69 CC1=NNC(=O)NC1=S OTV000356 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.69 CC1=[N+](C=C(C=C1)O)[O-] S580147 [0,1,0,0,0,1|1,0,1]=4 264 B9R1.69 CN1N=C(C=CC1=O)Br CBR00173 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.69 N1NC(=O)C(=CC1=O)C S540862 [0,1,0,0,0,1|2,0,0]=4 266 B9R1.69 O=C1C=C(C(=CN1)Cl)O CDS022751 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.69 O=C1C=C(C(=NN1)Cl)Cl T163503 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.2 BrCC1=CC=CC(=N1)Br CDS022451 [0,1,0,0,0,1|1,0,1]=4 269 B9R1.2 C#CC1=CC=CC(=N1)C CBR02079 [0,1,0,0,0,1|0,0,2]=4 270 B9R1.2 CC1=CC(=CC=C1)[IH2]=O T330566 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.2 CC1=CC(=CC=N1)CO L499730 [0,1,0,0,0,1|1,0,0]=3 272 B9R1.2 CC1=CC=CC(=C1)CS PH011231 [0,1,0,0,0,1|1,0,0]=3 273 B9R1.2 CC1=CC=CC(=N1)CCl CBR01903 [0,1,0,0,0,1|0,0,1]=3 274 B9R1.2 CC1=CC=NC(=C1)CN CDS018220 [0,1,0,0,0,1|1,0,0]=3 275 B9R1.2 CC1=CC=NC(=N1)CN CBR01839 [0,1,0,0,0,1|0,0,1]=3 276 B9R1.2 CC1=CN=CC(=C1)C=O CDS015706 [0,1,0,0,0,1|1,0,1]=4 277 B9R1.2 CC1=NC(=CC=C1)CCl CDS021719 [0,1,0,0,0,1|0,0,1]=3 278 B9R1.2 CC1=NC(=CC=N1)CO CBR01737 [0,1,0,0,0,1|0,0,1]=3 279 B9R1.2 CCC1=CC(=NC=C1)Br CDS011534 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.2 CCC1=CC(=NC=C1)N CDS001263 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.2 CCC1=CC=CC(=C1)Br CDS013673 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.2 CCC1=NC(=CC=C1)C S580031 [0,1,0,0,0,1|0,0,1]=3 283 B9R1.2 CNC1=CC(=CC=C1)N S604097 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.2 COC1=CC=CC(=C1)N CDS000467 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.2 COC1=CC=CC(=N1)N ADE000359 [0,1,0,0,0,1|1,0,1]=4 286 B9R1.2 COC1=CN=CC(=C1)Cl ADE000444 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.2 COC1=CN=CC(=C1)I ADE000373 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.2 COC1=CN=CC(=C1)O ADE000384 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.2 COC1=CN=CC(=N1)Cl SYX00288 [0,1,0,0,0,1|1,0,1]=4 290 B9R1.2 COC1=NC(=CC=C1)I ADE000332 [0,1,0,0,0,1|1,0,1]=4 291 B9R1.2 COC1=NC=CC(=C1)N ADE000354 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.2 COC1=NC=CC(=N1)N CDS004264 [0,1,0,0,0,1|1,0,1]=4 293 B9R1.2 CSC1=CC=CC(=C1)O KOB0118 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.2 CSC1=NC(=CC=N1)I SYX00298 [0,1,0,0,0,1|1,0,1]=4 295 B9R1.2 CSC1=NC=CC(=N1)N ANV00048 [0,1,0,0,0,1|1,0,1]=4 296 B9R1.2 CSC1=NC=CC(=N1)O S217336 [0,1,0,0,0,1|1,0,1]=4 297 B9R1.2 CSC1=NC=CC(=N1)O S440043 [0,1,0,0,0,1|1,0,1]=4 298 B9R1.2 ClCC1=CC(=CN=C1)I ADE000376 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.2 NCC1=CC(=CC=C1)O CDS016848 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.2 NCC1=CC=CC(=N1)Br CDS015880 [0,1,0,0,0,1|1,0,1]=4 301 B9R1.2 NCC1=CN=CC(=C1)Br CDS005093 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.2 NCC1=NC(=CC=C1)Br CDS009036 [0,1,0,0,0,1|1,0,1]=4 303 B9R1.2 OCC1=CC(=CN=C1)Cl MNO000182 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.2 OCC1=CC(=CN=C1)I ADE000375 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.2 OCC1=CC=NC(=C1)F MNO000064 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.2 OCC1=CN=CC(=C1)F CDS021735 [0,1,0,0,0,1|2,0,0]=4 307 B9R1.2 OCC1=NC(=CC=C1)I ADE000341 [0,1,0,0,0,1|1,0,1]=4 308 B9R1.2 OCC1=NC=CC(=C1)Cl ADE000344 [0,1,0,0,0,1|2,0,0]=4 309 B9R1.3 CC1=C(C(=CC=C1)Cl)S R262153 [0,1,0,0,0,1|2,0,0]=4 310 B9R1.3 CC1=C([N+](=CC=C1)C)C S619205 [0,1,0,0,0,1|2,0,0]=4 311 B9R1.3 CC1=CC=CC(=C1Br)Cl CDS003391 [0,1,0,0,0,1|2,0,0]=4 312 B9R1.3 CC1=CC=CC(=O)N1C T294608 [0,1,0,0,0,1|1,0,0]=3 313 B9R1.3 CC1=CC=CC(=[N+]1C)C R255319 [0,1,0,0,0,1|0,0,1]=3 314 B9R1.3 CC1=CC=CC(=[N+]1C)C S874248 [0,1,0,0,0,1|0,0,1]=3 315 B9R1.3 CC1=COC=C(C1=O)C T162310 [0,1,0,0,0,1|1,0,0]=3 316 B9R1.34 CC1=CC(=CC(=C1)Br)F CDS003810 [0,1,0,0,0,1|2,0,0]=4 317 B9R1.34 CC1=CC(=CC(=N1)C)N CDS019979 [0,1,0,0,0,1|0,0,1]=3 318 B9R1.34 CC1=CC(=CC(=N1)C)O PH010817 [0,1,0,0,0,1|0,0,1]=3 319 B9R1.34 CC1=CC(=CC(=N1)O)O PH010608 [0,1,0,0,0,1|1,0,1]=4 320 B9R1.34 CC1=CC(=CC(=O)N1)O L479489 [0,1,0,0,0,1|1,0,0]=3 321 B9R1.34 CC1=CC(=CC(=O)N1)O OTV000023 [0,1,0,0,0,1|1,0,0]=3 322 B9R1.34 CC1=CC(=NC(=C1)C)C SYX00268 [0,1,0,0,0,1|0,0,1]=3 323 B9R1.34 CC1=CC(=NC(=N1)C)C PH009718 [0,1,0,0,0,1|0,0,1]=3 324 B9R1.34 CC1=CC(=NC(=N1)N)C S936685 [0,1,0,0,0,1|1,0,1]=4 325 B9R1.34 CC1=CC(=NC(=N1)O)C S368512 [0,1,0,0,0,1|1,0,1]=4 326 B9R1.34 CC1=CC(=NC(=N1)S)C R432288 [0,1,0,0,0,1|1,0,1]=4 327 B9R1.34 CC1=CC(=NC(=N1)S)C S439029 [0,1,0,0,0,1|1,0,1]=4 328 B9R1.34 CC1=CC(=NC(=O)N1)C PH000309 [0,1,0,0,0,1|1,0,0]=3 329 B9R1.34 CC1=CC(=S)C=C(O1)C S874272 [0,1,0,0,0,1|1,0,0]=3 330 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S24105 [0,1,0,0,0,1|1,0,0]=3 331 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S626848 [0,1,0,0,0,1|1,0,0]=3 332 B9R1.34 CC1=CC(=[O+]C(=C1)C)C S920134 [0,1,0,0,0,1|1,0,0]=3 333 B9R1.34 CC1=NC(=CC(=N1)O)Cl MNO000006 [0,1,0,0,0,1|1,0,1]=4 334 B9R1.34 CC1=NC(=CC(=N1)O)Cl S379018 [0,1,0,0,0,1|1,0,1]=4 335 B9R1.34 CC1=NC(=O)CC(=O)N1 S216828 [0,1,0,0,0,1|1,0,1]=4 336 B9R1.34 N1C(=O)NC(=O)C=C1Cl S783242 [0,1,0,0,0,1|2,0,0]=4 337 B9R1.34 N1C(=S)C=C(NC1=S)C S70662 [0,1,0,0,0,1|1,0,0]=3 338 B9R1.34 N1C(=S)N=C(C=C1C)C S25004 [0,1,0,0,0,1|1,0,0]=3 339 B9R1.34 NC1=CC(=O)NC(=S)N1 OTV000203 [0,1,0,0,0,1|2,0,0]=4 340 B9R1.7 CC1=CNC(=N1)CCN PH019292 [0,2,0,0,0,0|1,0,1]=4 341 B9R1.7 CC1=CSC(=N1)CCN OTV000992 [0,2,0,0,0,0|1,0,1]=4 342 B9R1.7 CC1=NC(=CS1)CCCl CBR02382 [0,2,0,0,0,0|1,0,1]=4 343 B9R1.7 CC1=NN(C=C1)CCCl CBR00194 [0,2,0,0,0,0|1,0,1]=4 344 B9R1.7 CC1=NN(C=C1)CCO CBR00079 [0,2,0,0,0,0|1,0,1]=4 345 B9R1.7 CCCC1=CC=C(O1)C L159743 [0,2,0,0,0,0|1,0,0]=3 346 B9R1.7 CCCC1=NC=C(N1)Br CBR01481 [0,2,0,0,0,0|2,0,0]=4 347 B9R1.7 CNCC1=CC=C(O1)C CDS003835 [0,2,0,0,0,0|1,0,0]=3 348 B9R1.7 CNCC1=NC(=CN1)C CBR00691 [0,2,0,0,0,0|1,0,1]=4 349 B9R1.7 CNCC1=NC(=CN1)C PH019204 [0,2,0,0,0,0|1,0,1]=4 350 B9R1.7 CNCC1=NC(=CS1)C CBR00972 [0,2,0,0,0,0|1,0,1]=4 351 B9R1.7 CNCC1=NC=C(S1)C CDS011823 [0,2,0,0,0,0|2,0,0]=4 352 B9R1.21 CCC1=CSC(=N1)CN CBR00967 [0,2,0,0,0,0|1,0,1]=4 353 B9R1.21 CCC1=CSC(=N1)CN PH019331 [0,2,0,0,0,0|1,0,1]=4 354 B9R1.21 CCC1=NC(=CS1)CN CBR00988 [0,2,0,0,0,0|1,0,1]=4 355 B9R1.21 CCN1C=CC(=N1)CCl CBR02427 [0,2,0,0,0,0|1,0,1]=4 356 B9R1.21 CNC1=NC(=CS1)CN PH018825 [0,2,0,0,0,0|1,0,1]=4 357 B9R1.21 CSC1=CC=C(S1)C=O CDS013663 [0,2,0,0,0,0|1,0,1]=4 358 B9R1.21 N#CC1=CC=C(S1)CN CDS018039 [0,2,0,0,0,0|1,0,1]=4 359 B9R1.21 N#CC1=CC=C(S1)CN CDS021014 [0,2,0,0,0,0|1,0,1]=4 360 B9R1.21 N1C(=CC=C1CC)C=O CBR01642 [0,2,0,0,0,0|0,0,1]=3 361 B9R1.21 OCC1=CC=C(N1)CO L165034 [0,2,0,0,0,0|0,0,0]=2 362 B9R1.22 C(=O)C1=C(NC(=C1)C)C CDS008742 [0,2,0,0,0,0|0,0,0]=2 363 B9R1.22 C/C=C/1\N=C(OC1=O)C S739499 [0,2,0,0,0,0|1,0,1]=4 364 B9R1.22 CC1=CC(=C(O1)C)CN CDS016961 [0,2,0,0,0,0|1,0,0]=3 365 B9R1.22 CC1=NC(=C(O1)CO)C CBR01508 [0,2,0,0,0,0|1,0,1]=4 366 B9R1.22 CC1=NN(C(=C1)C=O)C TMT00498 [0,2,0,0,0,0|1,0,1]=4 367 B9R1.22 CC1=NN(C=C1C#N)C CBR01653 [0,2,0,0,0,0|1,0,1]=4 368 B9R1.22 CC1=NN(C=C1CCl)C CBR01550 [0,2,0,0,0,0|1,0,1]=4 369 B9R1.22 CCC1=C(N=C(N1)N)C PH017331 [0,2,0,0,0,0|2,0,0]=4 370 B9R1.22 CCC1=NN(C=C1Br)C CBR02192 [0,2,0,0,0,0|1,0,1]=4 371 B9R1.23 C(=O)C1=NC(=C(N1)C)C CDS016039 [0,2,0,0,0,0|1,0,1]=4 372 B9R1.23 CC1=C(NC(=N1)CCl)C CBR01668 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.23 CC1=C(OC(=N1)CN)C CDS019139 [0,2,0,0,0,0|1,0,1]=4 374 B9R1.23 CC1=CC(=NN1C)CN CDS014686 [0,2,0,0,0,0|1,0,1]=4 375 B9R1.23 CCC1=NC(=C(O1)C)C CDS000714 [0,2,0,0,0,0|1,0,1]=4 376 B9R1.23 CCN1C=C(C(=N1)C)N CBR01279 [0,2,0,0,0,0|1,0,1]=4 377 B9R1.35 CC(=O)C1=CC=C(S1)C S552038 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.35 CC(=O)C1=CNC(=N1)C PH000026 [0,2,0,0,0,0|1,0,1]=4 379 B9R1.35 CC(N)C1=CC=C(S1)Cl PH013644 [0,2,0,0,0,0|2,0,0]=4 380 B9R1.35 CC1=CC=C(O1)B(O)O CDS019945 [0,2,0,0,0,0|2,0,0]=4 381 B9R1.35 CC1=CC=C(O1)C(=O)[O-] R127981 [0,2,0,0,0,0|1,0,1]=4 382 B9R1.35 CC1=CC=C(O1)[N+](=O)[O-] R397482 [0,2,0,0,0,0|2,0,0]=4 383 B9R1.35 CC1=CC=C(S1)C(C)N CDS012543 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.35 CC1=CNC(=N1)C(C)N CBR02459 [0,2,0,0,0,0|1,0,1]=4 385 B9R1.35 CC1=CSC(=N1)C(C)N CBR00036 [0,2,0,0,0,0|1,0,1]=4 386 B9R1.35 CC1=NC(=CS1)C(C)N CBR00686 [0,2,0,0,0,0|1,0,1]=4 387 B9R1.35 CC1=NN=C(N1)[C@H](C)N CBR00974 [0,2,0,0,0,0|2,0,0]=4 388 B9R1.132 CC1=C(C(=CS1)CO)C TMT00539 [0,2,0,0,0,0|2,0,0]=4 389 B9R1.37 CC1=C(C(=C(N1)C)I)I L164151 [0,2,0,0,0,0|0,0,0]=2 390 B9R1.37 CC1=C(C(=C(O1)C)C)C L159700 [0,2,0,0,0,0|1,0,0]=3 391 B9R1.37 CC1=C(N(C(=O)N1)C)C CBR02435 [0,2,0,0,0,0|2,0,0]=4 392 B9R1.37 CC1=CC(=[N+](N1C)C)C R428507 [0,2,0,0,0,0|1,0,0]=3 393 B9R1.37 CC1=NC(=C(N1C)I)I PH002915 [0,2,0,0,0,0|2,0,0]=4 394 B9R1.37 CC1=NC(=C(N1O)C)C L498734 [0,2,0,0,0,0|1,0,0]=3 395 B9R1.37 CC1=NN(C(=C1Br)Cl)C PH002608 [0,2,0,0,0,0|1,0,1]=4 396 B9R1.37 CC1=NN(C(=C1I)C)C BML00265 [0,2,0,0,0,0|1,0,1]=4 397 B9R1.37 CC1=NN(C(=C1I)C)C CDS014870 [0,2,0,0,0,0|1,0,1]=4 398 B9R1.27 CC[N+]1=C(SC=C1C)C S390151 [0,2,0,0,0,0|1,0,1]=4 399 B9R1.27 O=C1C=CC(=O)N1CO PH006878 [0,2,0,0,0,0|2,0,0]=4 400 B7R1.3 CC1=CC=NC=C1 T256412 [0,0,1,1,0,0|2,0,0]=4 401 B7R1.3 CC1=CC=NC=C1 T330418 [0,0,1,1,0,0|2,0,0]=4 402 B7R1.3 O=C1C=CC=CN1 T160121 [0,0,1,1,0,0|1,0,1]=4 403 B5R0.5 C=C(C)C(=O)C CDS000556 [0,0,1,0,1,0|1,0,0]=3 404 B5R0.5 C=C(C)C(=O)[O-] S457930 [0,0,1,0,1,0|2,0,0]=4 405 B5R0.5 C=C(C)C(=O)[O-] S460389 [0,0,1,0,1,0|2,0,0]=4 406 B5R0.5 C=C(C)C(=O)[O-] S461806 [0,0,1,0,1,0|2,0,0]=4 407 B5R0.5 C=C(C)C(C)O T277479 [0,0,1,0,1,0|1,0,1]=4 408 B9R1.48 CC1=CCCCC(=C1)C T180785 [0,0,0,0,0,2|1,0,1]=4