0 B10R1.18 NC(=S)NC1=CC=NC=C1 SEW02754 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.18 NC(N)=NC1=CC=CC=C1 BTB10165 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 CNCC1=CC=CN=C1 TL00368 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 CNCC1=CC=NC=C1 MO00914 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.8 OCCC1=CC=CN=C1 KM09875 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.20 NC(=S)NC1=CC=C(Cl)C=C1 SPB03349 [0,1,0,0,0,0|2,1,0]=4 6 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,1,0,0,0,0|1,0,0]=2 7 B11R2.10 BrC1=CC2=C(C=CC=C2)O1 CC06610 [0,0,0,1,0,0|1,0,1]=3 8 B11R2.10 BrC1=CC2=C(C=CC=C2)S1 CC12210 [0,0,0,1,0,0|1,1,1]=4 9 B11R2.10 OC1=NC2=C(C=CC=N2)O1 SPB06586 [0,0,0,1,0,0|2,0,1]=4 10 B9R1.6 N=C(N)C1=CC=CC=N1 RF01042 [0,0,0,0,1,0|3,0,0]=4 11 B9R1.6 N=C(N)C1=CC=CN=C1 MO07766 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.6 N=C(N)C1=CC=NC=C1 CD05159 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.6 O=C(Cl)C1=NC=CN=C1 CC03402 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.6 O=C(O)C1=CN=CN=C1 CC07401 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.6 O=C(O)C1=NC=CC=C1 CC04001 [0,0,0,0,1,0|1,0,0]=2 16 B9R1.6 OB(O)C1=CC=NC=C1 CC04212 [0,0,0,0,1,0|2,0,1]=4 17 B11R1.91 N=C(N)COC1=CC=CC=C1 MO07572 [0,0,0,0,0,1|2,0,0]=3 18 B11R1.91 N=C(N)CSC1=CC=CC=C1 SPB05877 [0,0,0,0,0,1|2,0,0]=3 19 B11R1.91 NC(=S)CSC1=CC=CC=C1 KM04192 [0,0,0,0,0,1|1,1,0]=3 20 B8R1.2 OCC1=NC=CN=C1 CC03409 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.1 CNCC1=CC=C(Cl)C=C1 MO00897 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.1 N#CCC1=CC=C(O)C=C1 SB00735 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.1 OCCC1=CC=C(O)C=C1 SB01196 [1,1,0,0,0,0|0,0,1]=3 24 B10R1.15 N\C(=N/O)C1=CC=CC=C1 RF01827 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.17 NCCOC1=CC=CC=C1 RF03254 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 MO00162 [0,1,0,0,1,0|2,0,0]=4 27 B10R1.13 CC1=NC=C(C(=O)O)N=C1 SB01107 [0,1,0,0,1,0|2,0,0]=4 28 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,1,0,0,1,0|2,0,0]=4 29 B10R1.13 O=C(O)C1=CN=C(Cl)N=C1 NP42947 [0,1,0,0,1,0|2,0,0]=4 30 B10R1.13 O=C(O)C1=NN=C(O)C=C1 BTB07063 [0,1,0,0,1,0|2,0,0]=4 31 B10R1.61 CC1=C(C(=O)O)C=CC=N1 NP39732 [0,1,0,0,1,0|1,0,0]=3 32 B10R1.61 CC1=C(C(=O)O)C=NC=C1 SB01942 [0,1,0,0,1,0|1,0,0]=3 33 B10R1.61 NC1=C(C(=O)O)C=CN=C1 SP00054 [0,1,0,0,1,0|1,0,0]=3 34 B10R1.61 NC1=C(C(=O)O)C=NC=C1 MAY00123 [0,1,0,0,1,0|1,0,0]=3 35 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 NP44172 [0,1,0,0,1,0|1,0,0]=3 36 B10R1.61 O=C(O)C1=CC=NC=C1Br NP44275 [0,1,0,0,1,0|1,0,0]=3 37 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 CC53628 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.113 CC1=CC=CC(C(=N)N)=C1 SPB08395 [0,1,0,0,1,0|2,0,0]=4 39 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 SPB06910 [0,1,0,0,1,0|2,0,0]=4 40 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 SPB06649 [0,1,0,0,1,0|1,0,0]=3 41 B10R1.113 O=C(O)C1=CC=NC(Br)=C1 NP43738 [0,1,0,0,1,0|1,0,0]=3 42 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 MO08498 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.113 OB(O)C1=CC=CC(Cl)=C1 AC35900 [0,1,0,0,1,0|1,0,1]=4 44 B10R1.27 NNC(=O)CC1=CSC=C1 SPB02354 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,1,0,0,0,1|0,0,0]=2 46 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,1,0,0,0,1|0,0,0]=2 47 B12R1.27 COC(=O)CSC1=CC=CC=C1 TL00707 [0,1,0,0,0,1|0,0,0]=2 48 B12R1.27 N\C(COC1=CC=CC=C1)=N/O SPB02646 [0,1,0,0,0,1|1,0,0]=3 49 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl KM04159 [0,1,0,0,0,1|1,0,1]=4 50 B12R1.125 N=C(N)COC1=CC=CC=C1Cl SPB05621 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.226 NC(=S)COC1=CC(Cl)=CC=C1 SPB01327 [0,1,0,0,0,1|1,1,0]=4 52 B12R1.20 CC(=O)N(C)C1=CC=C(N)C=C1 BTB13402 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Br)C=C1 MO00946 [0,2,0,0,0,0|1,0,1]=4 54 B12R1.106 O=S(=O)(Cl)CC1=CC=C(Cl)C=C1 MO00927 [0,2,0,0,0,0|1,0,1]=4 55 B12R1.106 O=S(=O)(Cl)CC1=CC=C(F)C=C1 MO07801 [0,2,0,0,0,0|1,0,1]=4 56 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C BTB06485 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.371 O=C(CBr)NC1=CC=CC=C1Cl SPB05477 [0,2,0,0,0,0|2,0,0]=4 58 B12R1.371 O=C(CCl)NC1=C(Cl)C=CC=C1 KM02680 [0,2,0,0,0,0|2,0,0]=4 59 B12R1.127 CC(=O)NC1=C(C)C=CC(N)=C1 BTB00549 [0,2,0,0,0,0|2,0,0]=4 60 B12R1.151 CC1=C(CS(=O)(=O)Cl)C=CC=C1 MO07798 [0,2,0,0,0,0|1,0,1]=4 61 B12R1.151 O=S(=O)(Cl)CC1=C(Cl)C=CC=C1 MO07829 [0,2,0,0,0,0|1,0,1]=4 62 B12R1.151 O=S(=O)(Cl)CC1=C(F)C=CC=C1 MO07770 [0,2,0,0,0,0|1,0,1]=4 63 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl SPB00311 [0,2,0,0,0,0|2,0,0]=4 64 B12R1.101 O=C(Cl)CC1=CC(F)=CC(F)=C1 SEW04659 [0,2,0,0,0,0|1,0,0]=3 65 B12R1.101 O=C(O)CC1=CC(F)=CC(F)=C1 SB01687 [0,2,0,0,0,0|0,0,0]=2 66 B12R1.119 O=S(=O)(Cl)CC1=CC(Br)=CC=C1 MO07946 [0,2,0,0,0,0|1,0,1]=4 67 B12R1.119 O=S(=O)(Cl)CC1=CC=CC(F)=C1 MO07830 [0,2,0,0,0,0|1,0,1]=4 68 B10R2.7 C1=CC2=C(C=C1)OCO2 SB00944 [1,0,0,1,0,0|1,0,1]=4 69 B12R2.606 NC1=CC2=C(C=C1)NC(=O)O2 CC75714 [0,1,0,1,0,0|1,0,0]=3 70 B12R2.606 O=C1CC2=CC(Br)=CC=C2N1 S05248 [0,1,0,1,0,0|1,0,0]=3 71 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 CC75710 [0,1,0,1,0,0|1,0,0]=3 72 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 AC29729 [0,1,0,1,0,0|1,1,0]=4 73 B12R2.32 O=CC1=CC2=C(C=CC=C2)S1 CC12204 [0,1,0,1,0,0|0,1,1]=4 74 B12R2.32 O=CC1=NC2=CC=CC=C2S1 CC06004 [0,1,0,1,0,0|1,1,0]=4 75 B12R2.32 OCC1CC2=C(C=CC=C2)N1 MO01098 [0,1,0,1,0,0|1,0,1]=4 76 B12R2.202 CC1=NC2=C(C=CC=C2N)O1 MAY00305 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)C1=CC=NO1 CC10301 [0,0,0,0,2,0|2,0,0]=4 78 B8R1.7 O=C(O)C1=CSC=C1 CC13101 [0,0,0,0,2,0|1,0,0]=3 79 B8R1.7 O=C(O)C1=NC=CN1 CC08901 [0,0,0,0,2,0|2,0,0]=4 80 B8R1.7 O=C(O)C1=NC=CS1 CC09501 [0,0,0,0,2,0|2,0,0]=4 81 B8R1.7 O=C(O)C1=NNC=C1 NP44158 [0,0,0,0,2,0|2,0,0]=4