0 B10R1.66 CC(=O)CCN1C=CC=N1 2604AF [0,0,0,0,0,0|3,0,0]=3 1 B10R1.66 CC(N)CCC1=CC=CO1 9476AE [0,0,0,0,0,0|2,0,1]=3 2 B10R1.66 CN(C)\N=C\C1=CC=CO1 0768AQ [0,0,0,0,0,0|3,0,1]=4 3 B10R1.66 NC(=O)NCC1=CC=CO1 8875AB [0,0,0,0,0,0|2,0,0]=2 4 B10R1.66 O=C(Cl)\C=C\C1=CC=CS1 9119AD [0,0,0,0,0,0|2,1,1]=4 5 B10R1.66 O=C(O)CCC1=CC=CN1 X6372 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.66 O=C(O)CCC1=CC=NO1 6864AC [0,0,0,0,0,0|3,0,0]=3 7 B10R1.66 O=C(O)CCC1=CNC=N1 Y6981 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.66 O=[N+]([O-])\C=C\C1=CC=CO1 X6258 [0,0,0,0,0,0|3,0,1]=4 9 B9R1.12 CCCCC1=CC=CO1 5552AL [1,0,0,0,0,0|1,0,1]=3 10 B9R1.12 CCNCC1=CC=CO1 7158AA [1,0,0,0,0,0|1,0,1]=3 11 B9R1.12 NCCCC1=CC=CO1 3731AE [1,0,0,0,0,0|2,0,1]=4 12 B9R1.12 O=C=NCC1=CC=CS1 8554AE [1,0,0,0,0,0|1,1,1]=4 13 B9R1.12 S=C=NCC1=CC=CO1 4029AE [1,0,0,0,0,0|1,1,1]=4 14 B11R1.25 CNC(C)CCC1=CC=CO1 5055AD [0,1,0,0,0,0|2,0,1]=4 15 B11R1.25 COC(=O)CCC1=CC=CS1 8609AA [0,1,0,0,0,0|1,1,0]=3 16 B11R1.25 NCC(=O)NCC1=CC=CO1 0043AD [0,1,0,0,0,0|1,0,0]=2 17 B11R1.25 O=C(CCl)NCC1=CC=CS1 7266AD [0,1,0,0,0,0|1,1,0]=3 18 B11R1.35 N[C@@H](CC1=CC=CO1)C(=O)O G556 [0,1,0,0,0,0|2,0,0]=3 19 B11R1.75 CC1=CC=C(CNC(C)C)O1 0886AF [0,1,0,0,0,0|2,0,1]=4 20 B11R1.75 O=C(O)CCC1=CC(Cl)=NO1 9960AE [0,1,0,0,0,0|3,0,0]=4 21 B11R1.75 O=C(O)CCC1=CC(O)=NO1 9328AE [0,1,0,0,0,0|3,0,0]=4 22 B11R1.77 NC(CC(=O)O)C1=CC=CO1 1415AC [0,1,0,0,0,0|2,0,0]=3 23 B11R1.77 N[C@@H](CC(=O)O)C1=CC=CS1 5899AA [0,1,0,0,0,0|2,1,0]=4 24 B11R1.510 CC(C)(C)NCC1=CC=CO1 9662AC [0,1,0,0,0,0|2,0,1]=4 25 B9R1.13 CC(=O)CC1=CC=CS1 4644AD [0,0,0,0,1,0|0,1,0]=2 26 B9R1.13 CC(=O)CC1C=CCC1 7924AF [0,0,0,0,1,0|1,0,2]=4 27 B9R1.13 CC(=O)CN1C=CN=C1 3690AD [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 CC(=O)CN1C=NC=N1 7395AE [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 CC(=O)NC1=CC=CS1 D141 [0,0,0,0,1,0|1,1,0]=3 30 B9R1.13 CC(=O)NC1=NC=CN1 7457AB [0,0,0,0,1,0|3,0,0]=4 31 B9R1.13 CC(N)CC1=CC=CO1 8493AB [0,0,0,0,1,0|1,0,1]=3 32 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [0,0,0,0,1,0|0,0,2]=3 33 B9R1.13 CN(C)CC1=CC=CS1 2203AB [0,0,0,0,1,0|2,1,0]=4 34 B9R1.13 N=C(N)CC1=CC=CS1 7341AE [0,0,0,0,1,0|2,1,0]=4 35 B9R1.13 NC(=O)CC1=CSC=C1 V2784 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.13 O=C(O)CC1=CC=CN1 2447AC [0,0,0,0,1,0|2,0,0]=3 37 B9R1.13 O=C(O)CC1=CNC=C1 3621AC [0,0,0,0,1,0|3,0,0]=4 38 B9R1.13 O=C(O)CC1=CSC=N1 5235AJ [0,0,0,0,1,0|3,0,0]=4 39 B9R1.13 O=C(O)CC1=NC=CN1 9876AA [0,0,0,0,1,0|3,0,0]=4 40 B9R1.13 O=C(O)CC1=NC=CS1 W4072 [0,0,0,0,1,0|2,1,0]=4 41 B9R1.13 O=C(O)CC1=NNC=C1 1006AJ [0,0,0,0,1,0|3,0,0]=4 42 B9R1.13 O=C(O)CC1=NNC=C1 1007AJ [0,0,0,0,1,0|3,0,0]=4 43 B11R1.91 CC(=N)NCC1=CC=CC=C1 1916AH [0,0,0,0,0,1|3,0,0]=4 44 B11R1.91 CC(=N)SCC1=CC=CC=C1 3158AL [0,0,0,0,0,1|2,0,0]=3 45 B11R1.91 CC(=O)OCC1=CC=NC=C1 N216 [0,0,0,0,0,1|1,1,0]=3 46 B11R1.91 NC(=O)CCC1=NC=CC=C1 5628AJ [0,0,0,0,0,1|3,0,0]=4 47 B11R1.91 O=C(O)CCC1=NC=CC=C1 V3472 [0,0,0,0,0,1|3,0,0]=4 48 B11R1.91 O=C(O)CCC1=NC=CC=N1 6060AB [0,0,0,0,0,1|3,0,0]=4 49 B11R1.172 O=C(O)CSCC1=CC=CO1 2370AF [0,0,0,0,0,1|1,0,0]=2 50 B8R1.8 CCCC1=CC=CO1 Z5525 [2,0,0,0,0,0|0,0,1]=3 51 B8R1.8 CNCC1=CC=CO1 7008AC [2,0,0,0,0,0|1,0,0]=3 52 B8R1.8 CNCC1=CC=NO1 4172AJ [2,0,0,0,0,0|2,0,0]=4 53 B10R1.16 CC1=CC=C(\C=C\C=O)O1 8111AB [1,1,0,0,0,0|1,0,1]=4 54 B10R1.16 CCNCC1=CC=C(C)O1 5879AD [1,1,0,0,0,0|1,0,1]=4 55 B10R1.21 CNCCCC1=CC=CO1 5597AD [1,1,0,0,0,0|1,0,1]=4 56 B10R1.23 CC(C(=O)O)C1=CC=CS1 7991AB [0,1,0,0,1,0|1,1,0]=4 57 B10R1.54 CC1=CC=C(CC(=O)O)S1 0941AC [0,1,0,0,1,0|1,1,0]=4 58 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 1145AL [0,1,0,0,1,0|1,1,0]=4 59 B12R1.21 CC(=O)CCC1=CC=C(Cl)C=C1 1146AE [0,1,0,0,0,1|2,0,0]=4 60 B12R1.27 CCC(=O)CCC1=CC=CC=C1 U874 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.27 COC(=O)CCC1=CC=NC=C1 6999AJ [0,1,0,0,0,1|2,0,0]=4 62 B12R1.27 COC(=O)NCC1=CC=CC=C1 6020AE [0,1,0,0,0,1|2,0,0]=4 63 B12R1.27 NCC(=O)NCC1=CC=CN=C1 2265AD [0,1,0,0,0,1|2,0,0]=4 64 B12R1.27 NCC(=O)NCC1=CC=NC=C1 1843AD [0,1,0,0,0,1|2,0,0]=4 65 B12R1.27 NCC(=O)NCC1=NC=CC=C1 1909AD [0,1,0,0,0,1|2,0,0]=4 66 B12R1.43 CC(=O)C(C)CC1=CC=CC=C1 2082AB [0,1,0,0,0,1|2,0,0]=4 67 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl 3201AF [0,1,0,0,0,1|2,0,0]=4 68 B12R1.226 CC(=O)CCC1=CC=CC(F)=C1 1147AE [0,1,0,0,0,1|2,0,0]=4 69 B12R1.54 O=C(O)CCC(=O)C1=CC=CO1 8241AC [0,1,0,0,0,1|2,0,0]=4 70 B12R1.477 O=C(CCl)NCCC1=CC=CS1 3929AD [0,1,0,0,0,1|1,1,0]=4 71 B12R1.51 N#CCC(=O)NCC1=CC=CO1 6427AE [0,2,0,0,0,0|1,0,0]=3 72 B12R1.51 N#CCC(=O)NCC1=CC=CS1 1061AE [0,2,0,0,0,0|1,1,0]=4 73 B12R1.51 NCCC(=O)NCC1=CC=CO1 2260AD [0,2,0,0,0,0|1,0,0]=3 74 B12R1.51 O=C(CCCl)NCC1=CC=CO1 7254AE [0,2,0,0,0,0|1,0,0]=3 75 B12R1.51 O=C(CCCl)NCC1=CC=CS1 7265AD [0,2,0,0,0,0|1,1,0]=4 76 B12R1.103 CC1=CC=C(C(N)CC(=O)O)O1 3676AE [0,2,0,0,0,0|2,0,0]=4 77 B10R1.61 CC(=O)C1=NC=CC=C1O Z4085 [0,0,1,1,0,0|2,0,0]=4 78 B10R2.7 C1=CC2=C(CCNC2)O1 6031AJ [1,0,0,1,0,0|2,0,0]=4 79 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 8284AB [0,0,0,1,0,1|2,0,0]=4 80 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 V4626 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.7 CC(=O)C1=CC=NO1 4156AC [0,0,0,0,2,0|1,0,0]=3 82 B8R1.7 CC(=O)C1=CN=CS1 5381AC [0,0,0,0,2,0|1,1,0]=4 83 B8R1.7 CC(=O)C1=NC=CO1 W8389 [0,0,0,0,2,0|1,0,0]=3 84 B8R1.7 CC(=O)C1=NOC=C1 4155AC [0,0,0,0,2,0|2,0,0]=4 85 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,0,0,0,2,0|0,0,2]=4 86 B8R1.7 NC(=O)C1=CC=CN1 V6031 [0,0,0,0,2,0|2,0,0]=4 87 B8R1.7 NC(=O)C1=CN=CO1 Y7670 [0,0,0,0,2,0|2,0,0]=4 88 B8R1.7 O=C(O)C1=NC=CO1 Z1844 [0,0,0,0,2,0|2,0,0]=4 89 B12R1.255 NC(=O)CCNCC1=CC=CO1 0752AF [0,0,0,0,0,2|2,0,0]=4