0 B11R1.40 CC(CN)Oc1ccccc1 A2Z00038576 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.40 CC(Cc1ccccc1)CN A2Z00046432 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.40 C\C(=C/c1ccccc1)\C=O A2Z00038627 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 c1ccc(cc1)CC(CO)N A2Z00045068 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CCNCc1ccccc1 A2Z00093459 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.17 CNCCc1ccncc1 A2Z00061328 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 c1cc(cnc1)CCCN A2Z00046192 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.17 c1ccc(cc1)CCNN A2Z00095988 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 c1ccc(cc1)CCNN A2Z00096724 [1,0,0,0,0,0|1,0,0]=2 9 B10R1.17 c1ccc(cc1)CN=C=O A2Z00094082 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] A2Z00096066 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.17 c1ccc(cc1)OCC#N A2Z00093923 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 c1ccc(cc1)OCCO A2Z00038602 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 c1ccc(cc1)OCCS A2Z00049974 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 c1ccnc(c1)CCC#N A2Z00094742 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.18 c1ccc(cc1)CC(=O)Cl A2Z00093442 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.18 c1ccc(cc1)CC(=S)N A2Z00083382 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.18 c1ccc(cc1)SC(F)F A2Z00049186 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.34 CCC(C(=O)c1ccccc1)N A2Z00048079 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.34 COC(=O)C(c1ccccc1)N A2Z00096034 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.43 CC(C)C(Cc1ccccc1)O A2Z00048082 [0,1,0,0,0,0|2,0,0]=3 21 B12R1.43 CC(Cc1ccccc1)C(=O)O A2Z00046441 [0,1,0,0,0,0|2,0,0]=3 22 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N A2Z00087537 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.49 COC(=O)Cc1ccc(cc1)N A2Z00094801 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.194 CC(C)(C#N)Nc1ccccc1 A2Z00016789 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.194 CC(C)(Cc1ccccc1)C#N A2Z00070041 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.371 COC(=O)Cc1ccccc1F A2Z00095983 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.371 Cc1ccccc1CC(=O)OC A2Z00095982 [0,1,0,0,0,0|2,0,1]=4 28 B12R2.18 Cc1cc2ccccc2n1C A2Z00049652 [0,0,0,1,0,0|0,0,2]=3 29 B12R2.18 Cn1c2ccccc2[nH]c1=O A2Z00085448 [0,0,0,1,0,0|2,0,1]=4 30 B12R2.24 CC1CNc2ccccc2O1 A2Z00070209 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.24 CC1Cc2ccccc2NC1 A2Z00046499 [0,0,0,1,0,0|2,0,0]=3 32 B12R2.32 CNc1[nH]c2ccccc2n1 A2Z00056900 [0,0,0,1,0,0|2,0,1]=4 33 B10R1.15 CC(C#N)c1ccccc1 A2Z00070459 [0,0,0,0,1,0|2,0,0]=3 34 B10R1.15 CC(CN)c1ccccn1 A2Z00062148 [0,0,0,0,1,0|3,0,0]=4 35 B10R1.15 CC(c1ccccc1)NO A2Z00047942 [0,0,0,0,1,0|1,0,0]=2 36 B12R1.27 c1ccc(cc1)OCC(=O)NN A2Z00039102 [0,0,0,0,0,1|2,0,1]=4 37 B9R1.8 CNCc1ccccc1 A2Z00093451 [2,0,0,0,0,0|0,0,0]=2 38 B9R1.8 [C]=NCc1ccccc1 A2Z00049869 [2,0,0,0,0,0|0,0,2]=4 39 B9R1.8 c1ccc(cc1)CC#N A2Z00093470 [2,0,0,0,0,0|0,0,2]=4 40 B9R1.8 c1ccc(cc1)CCBr A2Z00093579 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 c1ccc(cc1)CCN A2Z00046190 [2,0,0,0,0,0|0,0,0]=2 42 B9R1.8 c1ccc(cc1)CNN A2Z00062153 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.1 CCCCc1ccc(cc1)N A2Z00038653 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.1 Cc1ccc(cc1)CCCO A2Z00056898 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.1 c1cc(ccc1CCCCl)Br A2Z00048006 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.1 c1cc(ccc1CCCN)O A2Z00047983 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.16 CC(CCN)c1ccccc1 A2Z00046307 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.16 CNCC(c1ccncc1)O A2Z00048067 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.24 CCCOc1cccc(c1)N A2Z00056908 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.24 Cc1cccc(c1)CCC#N A2Z00048894 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.24 Cc1cccc(c1)CCCN A2Z00093999 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.24 c1cc(cc(c1)Cl)CCC#N A2Z00048896 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.24 c1cc(cc(c1)Cl)CCCN A2Z00046195 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.24 c1cc(cc(c1)O)CCCN A2Z00047984 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.28 CCNCCc1ccncc1 A2Z00061329 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.28 c1ccc(cc1)CNCCO A2Z00065097 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.28 c1ccc(cc1)OCCCN A2Z00077141 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.28 c1ccc(cc1)OCCON A2Z00047939 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 c1cnccc1CCCCN A2Z00061546 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.91 CC(C)NCc1ccccc1 A2Z00093460 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.20 CC(=O)Cc1ccc(cc1)Br A2Z00095994 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.20 CC(C)Nc1ccc(cn1)N A2Z00068688 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.36 CC(=O)C(c1ccccc1)O A2Z00049601 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.157 CC(=O)Cc1cccc(c1)Br A2Z00095995 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.157 CC(C)Cc1cccc(c1)N A2Z00048066 [1,1,0,0,0,0|0,0,0]=2 66 B11R1.157 CN(C)Cc1cccc(c1)O A2Z00049745 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.157 Cc1cccc(c1)CC(=O)C A2Z00046562 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.7 CC(C)(C#N)c1ccccc1 A2Z00094743 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.7 CC(C)(CCl)c1ccccc1 A2Z00094297 [0,1,0,0,1,0|2,0,0]=4 70 B11R1.7 CC(C)(CN)c1ccccc1 A2Z00061567 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.7 CC(C)(CO)c1ccccc1 A2Z00094293 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.7 CC(CN)(c1ccccc1)O A2Z00046564 [0,1,0,0,1,0|2,0,0]=4 73 B11R1.7 CCC(C)(c1ccccc1)N A2Z00050519 [0,1,0,0,1,0|1,0,0]=3 74 B11R1.7 CCC(C)(c1ccccc1)N A2Z00070461 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.12 CNC(C#N)c1cccnc1 A2Z00095154 [0,1,0,0,1,0|1,0,1]=4 76 B11R1.22 CC(c1ccc(cc1)F)OC A2Z00094924 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.22 CNC(=O)c1ccc(cc1)Cl A2Z00053054 [0,1,0,0,1,0|1,0,1]=4 78 B11R1.22 Cc1ccc(cc1)C(C)CO A2Z00049179 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.222 CNC(=O)c1ccccc1N A2Z00046099 [0,1,0,0,1,0|1,0,1]=4 80 B13R1.44 CN(CCCN)Cc1ccccc1 A2Z00061187 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.21 Cc1ccc(cc1)C(=O)C(C)NC A2Z00070033 [0,2,0,0,0,0|0,0,1]=3 82 B13R1.133 CC(Cc1ccc(cc1)Cl)C(=O)O A2Z00046444 [0,2,0,0,0,0|2,0,0]=4 83 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)Cl A2Z00046445 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.133 CC(Cc1ccc(cc1)F)C(=O)O A2Z00046443 [0,2,0,0,0,0|2,0,0]=4 85 B13R1.202 CC(Cc1ccccc1F)C(=O)O A2Z00046442 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.1073 CC(C)(Cc1ccccc1)C(=O)O A2Z00069866 [0,2,0,0,0,0|2,0,0]=4 87 B13R1.249 CC(C)(Cc1ccc(cc1)Br)CN A2Z00070042 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.249 Cc1ccc(cc1)CC(C)(C)C#N A2Z00098003 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.249 Cc1ccc(cc1)CC(C)(C)NC A2Z00049891 [0,2,0,0,0,0|0,0,0]=2 90 B11R2.40 c1ccc(cc1)C2(CC2)N A2Z00061568 [0,0,0,1,1,0|2,0,0]=4 91 B13R2.10 c1ccc(cc1)N2CCC(C2)N A2Z00061811 [0,0,0,1,0,1|2,0,0]=4 92 B13R2.32 CN1c2ccccc2CCC1=O A2Z00049373 [0,0,0,1,0,1|1,0,1]=4 93 B13R2.26 c1ccc2c(c1)CC(O2)CCN A2Z00050317 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.31 c1ccc(cc1)CN2CC(C2)O A2Z00096296 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.135 CCN1c2ccccc2CC1=O A2Z00074116 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.3085 Cc1c(c2ccccc2n1C)Br A2Z00056954 [0,1,0,1,0,0|0,0,2]=4 97 B13R2.423 c1ccc(cc1)C2CC2C(=O)O A2Z00048075 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.12 CNCCc1c[nH]cn1 A2Z00049843 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.12 CNCCc1cnc[nH]1 A2Z00049842 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.6 CC(c1ccccc1)N A2Z00093463 [1,0,0,0,1,0|0,0,0]=2 101 B9R1.6 c1ccc(cc1)C(=N)N A2Z00096156 [1,0,0,0,1,0|1,0,1]=4