0 B10R1.17 CCNCC1=CC=CN=C1 M-872192 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.17 N#CCSC1=CC=CC=C1 Z-097233 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.17 [N-]=[N+]=NCC1=CC=CC=C1 F-369319 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.8 CNCC1=NC=CN=C1 F-405924 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 N#CCC1=CN=CC=C1 F-368836 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.1 CC1=CC=C(SCC#N)C=C1 F-332738 [0,1,0,0,0,0|3,0,0]=4 6 B11R1.1 CCCNC1=CC=C(Br)C=C1 C-086316 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.1 CCCNC1=CC=C(C)C=C1 C-086307 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.1 CCCNC1=CC=C(Cl)C=C1 C-086311 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.1 CCCNC1=CC=C(F)C=C1 C-086317 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.1 CCNCC1=CC=C(Cl)N=C1 F-368953 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.1 CCOCC1=CC=C(N)C=C1 F-369206 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.1 N#CCSC1=CC=C(Cl)C=C1 M-514168 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.1 NC1=CC=C(SCCO)C=C1 F-428588 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.1 [N-]=[N+]=NCC1=CC=C(Br)C=C1 F-369326 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.16 NCCC(O)C1=CC=CC=C1 F-396612 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.17 CCCNC1=C(Cl)C=CC=C1 C-086310 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.17 NCCSC1=C(N)C=CC=C1 POD_16/0196 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.17 [N-]=[N+]=NCC1=C(Cl)C=CC=C1 F-369325 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.24 CC1=CC=CC(CN=[N+]=[N-])=C1 F-369321 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.24 [N-]=[N+]=NCC1=CC(Cl)=CC=C1 F-369324 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.28 C#CCNCC1=CC=CC=C1 Q-013171 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.28 CNCCSC1=CC=CC=C1 F-361498 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.28 ClCCSCC1=CC=CC=C1 F-369094 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.28 NCCCOC1=CC=CC=C1 F-332150 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.28 NCCSCC1=CN=CC=C1 F-396998 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.28 NCCSCC1=NC=CC=C1 F-396996 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.28 OCCSCC1=CC=CC=C1 F-369096 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.28 OCCSCC1=CC=CC=N1 E-003363 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.28 OCCSCC1=CC=CN=C1 E-003364 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.40 CNC(C)CC1=NC=CC=C1 F-123577 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.40 CNC(C)CC1=NC=CN=C1 F-123600 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.91 CC(=O)CSC1=CC=CC=C1 M-366620 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.91 CC(=O)CSC1=NC=CC=C1 F-396334 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.91 CC(C)NCC1=CC=CN=C1 F-162129 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.91 CC(N)COC1=CC=CC=C1 F-369336 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.91 CC(N)CSC1=CC=CC=C1 F-368983 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.91 CC(O)CSC1=CC=CC=C1 F-368978 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z-097232 [0,1,0,0,0,0|3,0,0]=4 39 B11R2.20 C1=CC=C2SCC=NC2=C1 F-399779 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.12 NCCCC1=CC=CO1 F-361732 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.2 SCC1=CC=CN=C1 F-397069 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.2 SCC1=NC=CC=C1 F-397070 [2,0,0,0,0,0|1,1,0]=4 43 B10R1.1 CCNC1=CC=C(Br)C=C1 C-086057 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.1 CCNC1=CC=C(C)C=C1 C-086048 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.1 CCNC1=CC=C(Cl)C=C1 C-086052 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.1 CCNC1=CC=C(F)C=C1 C-086058 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.1 COCC1=CC=C(N)C=C1 F-369205 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.4 CC1=CC=CN=C1CCN F-123630 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.4 CCNC1=C(Cl)C=CC=C1 C-086051 [1,1,0,0,0,0|1,0,0]=3 50 B10R1.4 CNCC1=CC=CN=C1Cl F-405894 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.4 CNCC1=NC=CC=C1C F-405863 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.10 CC1=CC(CCN)=NC=C1 F-123631 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.10 CC1=CC=CC(CCN)=N1 F-123632 [1,1,0,0,0,0|2,0,0]=4 54 B10R1.10 CCCC1=CC(N)=CC=C1 F-453379 [1,1,0,0,0,0|0,0,0]=2 55 B10R1.10 N#CCC1=CC=CC(Cl)=C1 C-029533 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.15 NCC(=O)C1=CC=CC=C1 POD_75/0279 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.18 CC(=O)CC1=NC=CC=C1 F-123574 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.18 CC(N)CC1=CC=CC=C1 F-396381 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.18 CC(N)CC1=NC=CC=C1 F-123576 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.18 CC(N)CC1=NC=CN=C1 F-123601 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.18 CC(O)CC1=NC=CC=C1 F-123575 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.18 CC(O)CC1=NC=CN=C1 F-123602 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.1 C#CCNCC1=CC=C(Br)C=C1 F-426599 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.1 C#CCNCC1=CC=C(Cl)C=C1 F-426598 [0,2,0,0,0,0|1,0,1]=4 65 B12R1.1 CC1=CC=C(CSCCCl)C=C1 F-369097 [0,2,0,0,0,0|2,0,0]=4 66 B12R1.1 CC1=CC=C(CSCCN)C=C1 F-332715 [0,2,0,0,0,0|2,0,0]=4 67 B12R1.1 CC1=CC=C(CSCCO)C=C1 E-003375 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.1 CC1=CC=C(OCCCN)C=C1 M-418758 [0,2,0,0,0,0|2,0,0]=4 69 B12R1.1 CC1=CC=C(SCCCN)C=C1 F-369456 [0,2,0,0,0,0|2,0,0]=4 70 B12R1.1 CCCNCC1=CC=C(Cl)N=C1 F-368954 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.1 CNCCSC1=CC=C(C)C=C1 F-361499 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.1 CNCCSC1=CC=C(Cl)C=C1 F-361500 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.1 FC1=CC=C(CSCCCl)C=C1 F-369103 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.1 N#CCSCC1=CC=C(Cl)C=C1 F-332726 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 F-332155 [0,2,0,0,0,0|2,0,0]=4 76 B12R1.1 NCCCOC1=CC=C(F)C=C1 F-332162 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.1 NCCCSC1=CC=C(Cl)C=C1 F-369457 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.1 NCCCSC1=CC=C(F)C=C1 F-369462 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.1 NCCSCC1=CC=C(Cl)C=C1 F-332717 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.1 NCCSCC1=CC=C(F)C=C1 F-332719 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.1 OCCSCC1=CC=C(F)C=C1 F-369101 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.16 NCCC(O)C1=CC=C(Cl)C=C1 F-396614 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.16 NCCC(O)C1=CC=C(F)C=C1 F-396613 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 M-366673 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.21 CC(C)OCC1=CC=C(N)C=C1 F-369207 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.21 CC(N)COC1=CC=C(F)C=C1 F-369341 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.21 CC(N)CSC1=CC=C(Cl)C=C1 F-368981 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.21 CC(O)CSC1=CC=C(Cl)C=C1 F-368980 [0,2,0,0,0,0|2,0,0]=4 89 B12R1.21 CC1=CC=C(OCC(C)N)C=C1 F-369338 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.21 CC1=CC=C(SCC(C)N)C=C1 F-368982 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.21 CC1=CC=C(SCC(C)O)C=C1 F-368979 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.21 NC(=O)CCC1=CC=C(N)C=C1 F-443598 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 F-335591 [0,2,0,0,0,0|0,0,1]=3 94 B12R1.69 CCCNC1=C(C)C=C(C)C=C1 C-086314 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.69 CCCNC1=C(F)C=C(N)C=C1 F-331723 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.69 CCCNC1=CC=C(F)C=C1N F-331671 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.71 CCCNC1=CC=C(C#N)C=C1 F-332574 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.71 CCCNC1=CC=C(OC)C=C1 C-086306 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.385 CCCCC1=CC=C(N)C(S)=C1 F-495584 [0,2,0,0,0,0|1,0,0]=3 100 B12R1.385 CCCNC1=CC(C)=C(C)C=C1 C-086312 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.385 CCCNC1=CC(Cl)=C(Cl)C=C1 C-086322 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.3 N#CCC(C#N)C1=CC=CC=C1 POD_12/0994 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.30 NCCCC(O)C1=CC=CC=C1 F-396603 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.25 CCCNC1=C(C)C(Cl)=CC=C1 C-086326 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.267 C#CCNCC1=CC=CC=C1C F-426650 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.267 C#CCNCC1=CC=CC=C1F F-426649 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.267 CC1=CC=CC=C1OCCCN M-418757 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.267 NCCSCC1=C(Cl)C=CC=C1 F-332718 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.267 NCCSCC1=C(F)C=CC=C1 F-332721 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.371 CNC(C)CC1=NC=CC=C1C F-123580 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.374 CCCNC1=C(C)C=CC(C)=C1 C-086325 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.28 C#CCNCC1=CC(C)=CC=C1 F-426694 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.28 C#CCNCC1=CC=CC(Br)=C1 F-426612 [0,2,0,0,0,0|1,0,1]=4 114 B12R1.28 C#CCNCC1=CC=CC(Cl)=C1 F-426645 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.28 CC1=CC=CC(CSCCN)=C1 F-332716 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.28 CC1=CC=CC(OCCCN)=C1 F-332156 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.28 NCCCOC1=CC(Cl)=CC=C1 F-332154 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.28 NCCSCC1=CC(F)=CC=C1 F-332720 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 F-335652 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.50 CNC(C)CC1=NC(C)=CC=C1 F-123590 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.50 CNC(C)CC1=NC=CC(C)=C1 F-123587 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 F-335638 [0,2,0,0,0,0|0,0,1]=3 123 B12R1.100 CCCNC1=CC(C)=CC(C)=C1 C-086324 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.100 CCCNC1=CC(Cl)=CC(Cl)=C1 C-086323 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.382 CCCNC1=CC(OC)=CC=C1 C-086331 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.382 CCCOC1=CC=CC(C#N)=C1 F-332611 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.8 CNCCSCC1=CC=CC=C1 F-361501 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.8 CNCCSCC1=CN=CC=C1 F-396999 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.8 CNCCSCC1=NC=CC=C1 F-396997 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.27 NCC(=O)NCC1=CC=CC=C1 F-367352 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.32 CCNC(C)CC1=NC=CC=C1 F-123578 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.32 NCCS(=O)CC1=CC=CC=C1 F-397007 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.252 CC(C)CNCC1=CN=CC=C1 Z-006626 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.252 O=C(O)CNCC1=CC=CC=C1 F-407625 [0,2,0,0,0,0|2,0,0]=4 135 B12R2.24 CC1=NC2=CC=CC=C2SC1 F-399780 [0,1,0,1,0,0|2,0,0]=4 136 B12R2.225 NC1=CC=CC=C1SC2CC2 F-332379 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.8 NCCC1=CC=CN1 F-453885 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.8 OCCC1=CNN=C1 M-142620 [1,0,0,0,1,0|2,0,0]=4