0 B6R1.2 BrC1=NC=NN1 O11351 [0,0,0,0,0,0|4,0,0]=4 1 B6R1.2 CC1=CCCC1 A10734 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 CC1=CON=C1 I11485 [0,0,0,0,0,0|1,0,0]=1 3 B6R1.2 CN1C=CN=C1 D91624 [0,0,0,0,0,0|2,0,0]=2 4 B6R1.2 ClC1=NNC=C1 P11494 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 IC1=CC=CO1 D95176 [0,0,0,0,0,0|4,0,0]=4 6 B6R1.2 NC1=NNC=C1 F11599 [0,0,0,0,0,0|3,0,0]=3 7 B6R1.2 OC1=NNC=C1 F17284 [0,0,0,0,0,0|3,0,0]=3 8 B6R1.2 OC1=NSC=C1 AT11769 [0,0,0,0,0,0|4,0,0]=4 9 B6R1.2 S=C1NC=NN1 I10160 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 SC1=NNC=N1 AT12147 [0,0,0,0,0,0|4,0,0]=4 11 B6R1.2 [Zr+3]C1C=CC=C1 D89476 [0,0,0,0,0,0|3,0,1]=4 12 B5R1.1 C1=CCC=C1 D88992 [1,0,0,0,0,0|2,0,0]=3 13 B5R1.1 C1=NN=C[N-]1 28779 [1,0,0,0,0,0|1,0,1]=3 14 B5R1.1 [CH]1C=CC=C1 D90351 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 CCC1=CC=CN1 D90555 [0,1,0,0,0,0|3,0,0]=4 16 B7R1.1 CCC1=CCCC1 T72078 [0,1,0,0,0,0|2,0,1]=4 17 B7R1.1 CCN1C=CC=C1 F17504 [0,1,0,0,0,0|3,0,0]=4 18 B7R1.1 COC1=CC=CO1 F10347 [0,1,0,0,0,0|3,0,0]=4 19 B7R1.1 CSC1=CC=CS1 77890 [0,1,0,0,0,0|3,0,0]=4 20 B7R1.1 ClCN1C=NC=N1 I11108 [0,1,0,0,0,0|3,0,0]=4 21 B7R1.1 NCC1=CC=CO1 AT17186 [0,1,0,0,0,0|3,0,0]=4 22 B7R1.1 NCC1=CC=NN1 70944 [0,1,0,0,0,0|2,0,0]=3 23 B7R1.1 NCC1=CSC=N1 30352 [0,1,0,0,0,0|3,0,0]=4 24 B7R1.1 NCC1=NNC=C1 39435 [0,1,0,0,0,0|2,0,0]=3 25 B7R1.1 NCC1=NNC=C1 W13339 [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 NCC1=NOC=C1 38445 [0,1,0,0,0,0|3,0,0]=4 27 B7R1.1 O=CC1=CC=NN1 O10411 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 OCC1=CN=CN1 W10511 [0,1,0,0,0,0|2,0,0]=3 29 B7R1.1 OCC1=CNC=N1 W10530 [0,1,0,0,0,0|2,0,0]=3 30 B7R1.1 OCC1=NNC=C1 O10009 [0,1,0,0,0,0|2,0,0]=3 31 B7R1.2 CC1=CC(=O)NO1 S10286 [0,1,0,0,0,0|2,0,0]=3 32 B7R1.2 CC1=CC(=O)OC1 C16080 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.2 CC1=CC(Cl)=NN1 37270 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.2 CC1=CC(N)=NN1 SC1107 [0,1,0,0,0,0|2,0,0]=3 35 B7R1.2 CC1=CC=C(C)O1 F16580 [0,1,0,0,0,0|3,0,0]=4 36 B7R1.2 CC1=CCC(=O)O1 D88375 [0,1,0,0,0,0|3,0,0]=4 37 B7R1.2 CC1=CNC(=S)N1 D73306 [0,1,0,0,0,0|2,0,0]=3 38 B7R1.2 CC1=CSC(N)=N1 AT13365 [0,1,0,0,0,0|3,0,0]=4 39 B7R1.2 CC1=NC(N)=NN1 S10284 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 CC1=NNC(I)=C1 O11450 [0,1,0,0,0,0|2,0,0]=3 41 B7R1.2 CC1=NOC(O)=C1 AC8816 [0,1,0,0,0,0|3,0,0]=4 42 B7R1.2 CN1C=C(O)C=N1 AT16001 [0,1,0,0,0,0|1,0,0]=2 43 B7R1.2 CN1C=NC(N)=C1 AT15331 [0,1,0,0,0,0|2,0,0]=3 44 B7R1.4 BrC1=CSC=C1I C76358 [0,1,0,0,0,0|3,0,0]=4 45 B7R1.4 CC1=C(Br)NC=N1 23642 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.4 CC1=C(C)SC=C1 C16125 [0,1,0,0,0,0|2,0,0]=3 47 B7R1.4 CC1=C(I)C=NO1 C10013 [0,1,0,0,0,0|2,0,0]=3 48 B7R1.4 CN1CCNC1=S 79553 [0,1,0,0,0,0|2,0,1]=4 49 B7R1.4 CN1N=CC=C1O AT12748 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.4 ClC1=NNC=C1I E72198 [0,1,0,0,0,0|1,0,0]=2 51 B7R1.4 NC1=C(Br)C=NN1 CS1041 [0,1,0,0,0,0|1,0,0]=2 52 B7R1.4 NC1=NNC=C1I 72274 [0,1,0,0,0,0|1,0,0]=2 53 B7R1.4 NN1C=NN=C1S F20000 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.1 CC(=O)CCN 89829 [0,0,1,0,0,0|2,0,1]=4 55 B5R0.1 CC(=O)\C=C\[O-] D78712 [0,0,1,0,0,0|3,0,0]=4 56 B5R0.1 CC(=O)\C=N\O 34785 [0,0,1,0,0,0|2,0,0]=3 57 B5R0.1 CC(C)=CCCl D89386 [0,0,1,0,0,0|2,0,1]=4 58 B5R0.1 CCC=C(C)C D91353 [0,0,1,0,0,0|2,0,1]=4 59 B5R0.1 CNOC(C)=O T70513 [0,0,1,0,0,0|3,0,0]=4 60 B5R0.1 C\C(Cl)=C/CCl D89634 [0,0,1,0,0,0|3,0,0]=4 61 B5R0.2 C=CC\C=C\C F19222 [0,0,1,0,0,0|2,0,0]=3 62 B5R0.2 C\C=C/C=C/C D90841 [0,0,1,0,0,0|2,0,1]=4 63 B5R0.2 C\C=C/OCC D90589 [0,0,1,0,0,0|2,0,1]=4 64 B5R0.2 C\C=C\CCC D90853 [0,0,1,0,0,0|2,0,1]=4 65 B5R0.3 C=C\C(C)=C\C D91314 [0,0,1,0,0,0|2,0,0]=3 66 B5R0.3 C\C(C=O)=C/N 30165 [0,0,1,0,0,0|1,0,0]=2 67 B5R0.3 C\C=C(/C)C=O D92433 [0,0,1,0,0,0|2,0,0]=3 68 B5R0.3 C\C=C(/C)CC D91312 [0,0,1,0,0,0|2,0,1]=4 69 B5R0.3 C\C=C(\C)CC T73073 [0,0,1,0,0,0|2,0,1]=4 70 B7R1.3 BrC1=CC=NC=C1 D88764 [0,0,0,0,0,1|2,0,0]=3 71 B7R1.3 BrC1=NN=CC=C1 20205 [0,0,0,0,0,1|3,0,0]=4 72 B7R1.3 CC1=CCC=CC1 D91336 [0,0,0,0,0,1|2,0,0]=3 73 B7R1.3 C[N+]1=CC=CC=C1 D91621 [0,0,0,0,0,1|3,0,0]=4 74 B7R1.3 ClC1=NC=NC=C1 C90125 [0,0,0,0,0,1|2,0,0]=3 75 B7R1.3 NC1=CC=CN=N1 52242 [0,0,0,0,0,1|3,0,0]=4 76 B7R1.3 NC1=NC=NC=C1 52254 [0,0,0,0,0,1|2,0,0]=3 77 B7R1.3 [Mg+]C1=CC=CC=C1 F20531 [0,0,0,0,0,1|3,0,0]=4 78 B4R0.1 C=C(C)CC D91286 [1,0,1,0,0,0|1,0,1]=4 79 B4R0.1 C=C(C)OC D91123 [1,0,1,0,0,0|2,0,0]=4 80 B4R0.1 C\C=C(/C)Br D88804 [1,0,1,0,0,0|2,0,0]=4 81 B4R0.1 C\C=C(/C)Cl T70927 [1,0,1,0,0,0|2,0,0]=4 82 B4R0.1 C\C=C(\C)Cl T70584 [1,0,1,0,0,0|2,0,0]=4 83 B4R0.2 C=CCC=C D91889 [1,0,1,0,0,0|2,0,0]=4 84 B4R0.2 C=C\C=C\C D91991 [1,0,1,0,0,0|1,0,0]=3 85 B4R0.2 C\C=C/CBr D88665 [1,0,1,0,0,0|2,0,0]=4 86 B4R0.2 C\C=C\CC D91989 [1,0,1,0,0,0|1,0,1]=4 87 B4R0.2 C\C=C\CCl D89204 [1,0,1,0,0,0|2,0,0]=4 88 B4R0.2 C\C=C\CO 41794 [1,0,1,0,0,0|2,0,0]=4 89 B6R0.1 CC\C=C(/C)C=O D91397 [0,1,1,0,0,0|2,0,0]=4 90 B6R0.3 C=C(C)C(=O)NC AB9741 [0,1,1,0,0,0|1,0,0]=3 91 B6R0.6 C=CCC\C=C\C T71838 [0,1,1,0,0,0|2,0,0]=4 92 B8R1.2 BrCC1=NC=CC=C1 D87709 [0,1,0,0,0,1|2,0,0]=4 93 B8R1.2 CCC1=CC=CN=C1 D87724 [0,1,0,0,0,1|1,0,0]=3 94 B8R1.2 CCC1=CC=NC=C1 D90449 [0,1,0,0,0,1|1,0,0]=3 95 B8R1.2 CCC1=NC=CC=C1 AT23190 [0,1,0,0,0,1|2,0,0]=4 96 B8R1.2 COC1=CCC=CC1 78369 [0,1,0,0,0,1|2,0,0]=4 97 B8R1.2 ClCC1=CC=NC=C1 D88171 [0,1,0,0,0,1|1,0,0]=3 98 B8R1.2 ClCC1=CN=CN=C1 P10951 [0,1,0,0,0,1|0,0,1]=3 99 B8R1.2 ICC1=CN=CC=C1 AC6646 [0,1,0,0,0,1|1,0,0]=3 100 B8R1.2 NCC1=CC=CC=C1 T70936 [0,1,0,0,0,1|2,0,0]=4 101 B8R1.2 NCC1=CN=CN=C1 P15266 [0,1,0,0,0,1|0,0,1]=3 102 B8R1.2 NNC1=CC=NC=C1 76124 [0,1,0,0,0,1|2,0,0]=4 103 B8R1.2 NNC1=CC=NC=C1 W10667 [0,1,0,0,0,1|2,0,0]=4 104 B8R1.3 CC1=NN=C(O)C=C1 P10046 [0,1,0,0,0,1|2,0,0]=4 105 B8R1.3 IC1=CN=C(I)C=C1 I10255 [0,1,0,0,0,1|2,0,0]=4 106 B8R1.3 NC1=CN=C(I)C=C1 C15518 [0,1,0,0,0,1|2,0,0]=4 107 B8R1.3 NC1=CN=C(N)C=C1 A10321 [0,1,0,0,0,1|2,0,0]=4 108 B8R1.3 NC1=CN=C(N)C=C1 O12059 [0,1,0,0,0,1|2,0,0]=4 109 B8R1.3 NC1=CN=C(O)C=C1 A11653 [0,1,0,0,0,1|2,0,0]=4 110 B8R1.3 NC1=NC=C(O)C=C1 F16234 [0,1,0,0,0,1|2,0,0]=4 111 B8R1.3 OC1=CN=C(O)C=C1 O12060 [0,1,0,0,0,1|2,0,0]=4 112 B8R1.3 OC1=NC=C(Cl)C=N1 36730 [0,1,0,0,0,1|1,0,1]=4 113 B8R1.4 CC1=CC(=O)NC=N1 H11629 [0,1,0,0,0,1|1,0,0]=3 114 B8R1.4 CC1=CC(O)=NN=C1 S10201 [0,1,0,0,0,1|0,0,1]=3 115 B8R1.4 CC1=CC=CC([Mg+])=C1 D87849 [0,1,0,0,0,1|2,0,0]=4 116 B8R1.4 CC1=CC=NC(O)=N1 35313 [0,1,0,0,0,1|1,0,0]=3 117 B8R1.4 CC1=CC=NC(O)=N1 W10295 [0,1,0,0,0,1|1,0,0]=3 118 B8R1.4 CC1=NC=CC(=O)N1 H10624 [0,1,0,0,0,1|2,0,0]=4 119 B8R1.4 CC1=NC=CC(Cl)=N1 58075 [0,1,0,0,0,1|2,0,0]=4 120 B8R1.4 NC1=CC(O)=NC=N1 30819 [0,1,0,0,0,1|2,0,0]=4 121 B8R1.4 OC1=CC(Cl)=CN=N1 20215 [0,1,0,0,0,1|1,0,1]=4 122 B8R1.4 OC1=CC(O)=NC=C1 78320 [0,1,0,0,0,1|2,0,0]=4 123 B8R1.4 S=C1C=CNC(=S)N1 D87918 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.5 CC1=C(N)C=CC=C1 C90102 [0,1,0,0,0,1|2,0,0]=4 125 B8R1.5 CC1=NC=CN=C1N E72340 [0,1,0,0,0,1|1,0,0]=3 126 B8R1.5 CC1=[N+](N)C=CC=C1 S12215 [0,1,0,0,0,1|2,0,0]=4 127 B8R1.5 ClC1=C(Br)C=NC=N1 S11504 [0,1,0,0,0,1|1,0,1]=4 128 B8R1.5 ClC1=C(I)C=CN=C1 O10981 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.5 FC1=C(Br)C=CN=C1 22405 [0,1,0,0,0,1|2,0,0]=4 130 B8R1.5 FC1=C(Cl)C=CN=C1 22403 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.5 NC1=C(Br)C=CN=C1 O11194 [0,1,0,0,0,1|2,0,0]=4 132 B8R1.5 NC1=CC=CN=C1O 38059 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.5 NC1=CC=CNC1=O D86077 [0,1,0,0,0,1|2,0,0]=4 134 B8R1.5 NC1=CNC=CC1=O D80314 [0,1,0,0,0,1|2,0,0]=4 135 B8R1.5 O=C1NC=NC=C1Br 39336 [0,1,0,0,0,1|1,0,0]=3 136 B8R1.5 O=C1NC=NC=C1F 33701 [0,1,0,0,0,1|1,0,0]=3 137 B8R1.5 OC1=C(Br)C=CC=N1 22453 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.5 OC1=C(F)C=NC=N1 78780 [0,1,0,0,0,1|1,0,1]=4 139 B8R1.1 CC1=CSC(C#N)=C1 F19686 [0,2,0,0,0,0|2,0,0]=4 140 B8R1.1 CCC1=CC(N)=NN1 78395 [0,2,0,0,0,0|2,0,0]=4 141 B8R1.1 CCN1C=C[N+](C)=C1 D90554 [0,2,0,0,0,0|2,0,0]=4 142 B8R1.1 CCN1C=C[N+](C)=C1 D90565 [0,2,0,0,0,0|2,0,0]=4 143 B8R1.1 CCN1C=C[N+](C)=C1 D90610 [0,2,0,0,0,0|2,0,0]=4 144 B8R1.1 CC[N+]1=CN(C)C=C1 AC8080 [0,2,0,0,0,0|2,0,0]=4 145 B8R1.1 CN1C=C(NN)C=N1 E72536 [0,2,0,0,0,0|1,0,0]=3 146 B8R1.1 CN1C=CC(C#N)=C1 AT16312 [0,2,0,0,0,0|1,0,1]=4 147 B8R1.1 ClCN1C=C(Br)C=N1 AT21633 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.1 OCN1C=C(Br)C=N1 AT21632 [0,2,0,0,0,0|1,0,0]=3 149 B8R1.7 CC(=O)C1=CCC=C1 77833 [0,2,0,0,0,0|2,0,0]=4 150 B8R1.8 OCCC1=CNC=N1 37556 [0,2,0,0,0,0|2,0,0]=4 151 B8R1.11 C#CC1=CN=CN1C D81734 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.11 CC1=C(C=O)OC=C1 AT17117 [0,2,0,0,0,0|2,0,0]=4 153 B8R1.11 CC1=C(C=O)SN=N1 F12232 [0,2,0,0,0,0|2,0,0]=4 154 B8R1.11 CC1=C(CCl)N=CN1 AT15568 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.11 CC1=C(CO)OC=N1 76823 [0,2,0,0,0,0|2,0,0]=4 156 B8R1.11 CN1C=NC=C1CN 71988 [0,2,0,0,0,0|2,0,0]=4 157 B8R1.11 N#CC1=C(N)NN=C1 SC2261 [0,2,0,0,0,0|0,0,1]=3 158 B8R1.11 N#CC1=CNN=C1Cl D95517 [0,2,0,0,0,0|0,0,1]=3 159 B8R1.11 NCC1=C(Br)SC=C1 AT16368 [0,2,0,0,0,0|2,0,0]=4 160 B8R1.18 CC1=C(Br)N=C(Br)N1 78766 [0,2,0,0,0,0|2,0,0]=4 161 B8R1.18 CC1=C(I)NC(I)=N1 35007 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.18 CC1=CC(=O)N(C)N1 O10614 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.18 CC1=CC(C)=C(Br)S1 AT16349 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.18 CC1=CC(N)=NN1C C14787 [0,2,0,0,0,0|2,0,0]=4 165 B8R1.18 CC1=C[C@@H](O)CC1=O E71687 [0,2,0,0,0,0|2,0,0]=4 166 B8R1.18 CC1=NN(C)C(Br)=C1 P17487 [0,2,0,0,0,0|2,0,0]=4 167 B8R1.18 CN1C=C(I)C(N)=N1 AT14080 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.50 CC1=C(N)C=NN1C F11492 [0,2,0,0,0,0|1,0,0]=3 169 B8R1.50 CC1=C(N)N(C)N=C1 C15652 [0,2,0,0,0,0|0,0,0]=2 170 B8R1.50 CC1=CN=C(Br)N1C AT22512 [0,2,0,0,0,0|2,0,0]=4 171 B8R1.50 CC1=NNC(C)=C1N AT13383 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.50 CC1=NNC(N)=C1C 29855 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.50 CN1C(=O)NNC1=O AT21274 [0,2,0,0,0,0|1,0,1]=4 174 B8R1.50 CN1C=CN(C)C1=S D86267 [0,2,0,0,0,0|2,0,0]=4 175 B8R1.50 CN1N=CC(Br)=C1N W15456 [0,2,0,0,0,0|1,0,0]=3 176 B6R1.1 C1=CC=NC=C1 D78350 [0,0,1,1,0,0|1,0,1]=4 177 B6R1.1 C1=CCC=CC1 D89254 [0,0,1,1,0,0|2,0,0]=4