0 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.40 NNC(=O)CC1=CC=CC=C1 JFD03115 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.40 NNC(=O)OC1=CC=CC=C1 DSHS01027 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.40 N\C(CC1=CC=CC=C1)=N/O S01215 [0,0,0,0,0,0|2,0,2]=4 6 B11R1.40 O=C(NO)NC1=CC=CC=C1 JFD01119 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,0,0|1,1,1]=4 8 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 JFD01130 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.34 C=C(C1=CC=CC=C1)\C(C)=N\O BTBG00181 [0,1,0,0,0,0|1,0,1]=3 10 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 GK02977 [0,1,0,0,0,0|1,0,1]=3 11 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] S06879 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,1,0,0,0,0|1,0,2]=4 13 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 S11049 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.24 ClC1=CC2=C(C=C1)N=CC=C2 AC31488 [0,0,0,1,0,0|3,0,0]=4 15 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [0,0,0,0,0,1|1,0,1]=3 16 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,1,0,0,0,0|1,0,1]=4 17 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,1,0,0,0,0|2,0,0]=4 18 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [1,1,0,0,0,0|1,0,0]=3 19 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [1,1,0,0,0,0|1,0,0]=3 20 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [1,1,0,0,0,0|1,0,0]=3 21 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [1,1,0,0,0,0|1,0,1]=4 22 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [1,1,0,0,0,0|2,0,0]=4 23 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [1,1,0,0,0,0|2,0,0]=4 24 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [1,1,0,0,0,0|1,0,1]=4 26 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 RH01105 [1,1,0,0,0,0|2,0,0]=4 27 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CD03238 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [1,1,0,0,0,0|1,0,1]=4 29 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [1,1,0,0,0,0|1,0,1]=4 30 B11R1.86 CC(=O)NC1=C(Br)C=CC=C1 NRB00708 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 SPB06387 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.86 CC(=O)NC1=C(I)C=CC=C1 NRB00707 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.86 O=C(O)CC1=CC=CC=C1I NRB00709 [1,1,0,0,0,0|1,0,1]=4 34 B11R1.157 CC(=O)NC1=CC=CC(Cl)=C1 MB00204 [1,1,0,0,0,0|1,0,0]=3 35 B11R1.23 C\C(=N/O)C1=CC(Br)=CC=C1 KM09160 [0,1,0,0,1,0|1,0,1]=4 36 B11R1.222 C\C(=N/O)C1=C(Cl)C=CC=C1 KM09168 [0,1,0,0,1,0|1,0,1]=4 37 B11R1.35 C\C(=C/C1=CC=CS1)[N+](=O)[O-] S03995 [0,1,0,0,1,0|2,0,0]=4 38 B13R1.42 CC(\C=N\O)=N/NC1=CC=CC=C1 BTB04603 [0,1,0,0,0,1|1,0,1]=4 39 B13R1.135 CC(=C/C1=CC=CC=C1)\C(C)=N\O NRB01487 [0,1,0,0,0,1|1,0,1]=4 40 B13R1.135 C\C(=N/O)C(=O)NC1=CC=CC=C1 BTBG00175 [0,1,0,0,0,1|1,0,1]=4 41 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,1,0,0,0,1|0,0,2]=4 42 B13R1.532 C\C=C(C1=CC=CC=C1)/C(C)=N/O NRB02305 [0,2,0,0,0,0|1,0,1]=4 43 B13R1.133 C\C(=C/C1=CC=C(Cl)C=C1)[N+](=O)[O-] S04023 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)[N+](=O)[O-] S11474 [0,2,0,0,0,0|1,0,0]=3 45 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)[N+](=O)[O-] S03994 [0,2,0,0,0,0|1,0,0]=3 46 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O JFD03250 [0,2,0,0,0,0|0,0,1]=3 47 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O BTB09600 [0,2,0,0,0,0|0,0,1]=3 48 B13R1.418 N#C\C(=C/C1=NC=CC=C1)C(N)=O RB00244 [0,2,0,0,0,0|1,0,1]=4 49 B13R1.418 N#C\C(=C\C1=CC=NC=C1)C(N)=O RB00243 [0,2,0,0,0,0|1,0,1]=4 50 B11R2.1 O=C1SNC2=CC=CC=C12 BTB03127 [1,0,0,1,0,0|2,0,0]=4 51 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 CD00563 [0,0,0,1,0,1|2,0,0]=4 52 B13R2.10 CC1=NC(C2=CC=CC=C2)=CS1 RF02932 [0,0,0,1,0,1|2,0,0]=4 53 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 SEW01809 [0,0,0,1,0,1|2,0,0]=4 54 B13R2.32 CC1=COC2=CC=CC=C2C1=O BTB12529 [0,0,0,1,0,1|0,0,0]=2 55 B13R2.32 CN1N=CC2=CC=CC=C2C1=O DP00854 [0,0,0,1,0,1|1,0,0]=3 56 B13R2.32 O=C1C(Br)=COC2=C1C=CC=C2 RF01262 [0,0,0,1,0,1|1,0,0]=3 57 B13R2.15 CC1=CNN=C1C2=CC=CC=C2 CD09683 [0,1,0,1,0,0|1,0,0]=3 58 B13R2.328 CC1=CC(=O)C2=CC=CC=C2O1 JFD02612 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.328 CC1=CC(=O)N2C=CC=CC2=N1 BTB12654 [0,1,0,1,0,0|2,0,0]=4 60 B13R2.328 CC1=NC2=C(C=CC=C2)C(O)=C1 BTB01126 [0,1,0,1,0,0|1,0,1]=4 61 B13R2.328 NC1=NC(=O)C2=C(C=CC=C2)N1 BTB05782 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 JFD03657 [0,1,0,1,0,0|2,0,0]=4 63 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 PD00036 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.45 O=C1C2=CC=CC=C2C\C1=C/O FM00016 [0,1,0,1,0,0|0,0,1]=3 65 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O S04335 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O XBX00029 [0,1,0,1,0,0|1,0,0]=3 67 B13R2.369 CC1=NC2=CC=CC=C2N=C1C XBX00028 [0,1,0,1,0,0|2,0,0]=4 68 B13R2.369 CC1=NC2=CC=CC=C2N=C1O RF02078 [0,1,0,1,0,0|1,0,1]=4 69 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 SEW02805 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,1,0,1,0,0|1,0,0]=3 71 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,1,0,1,0,0|1,0,0]=3 72 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,1,0,1,0,0|1,0,0]=3 73 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 KM06597 [0,1,0,1,0,0|0,0,2]=4 74 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,1,0,1,0,0|1,0,1]=4 75 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,1,0,1,0,0|1,0,1]=4 76 B13R2.3028 CC1=CC2=C(C=C1)NC(=O)C2=O JA00002 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.3028 CC1=CC2=C(C=C1)SC(=O)C2=O KM09178 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O RH00683 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.3028 O=C1NC2=CC=C(F)C=C2C1=O BTB01627 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.3683 CC1=CC2=CC=C(F)C=C2C=C1 RH01072 [0,1,0,1,0,0|1,0,0]=3 81 B13R2.3683 CC1=CC=C2C=C(F)C=CC2=N1 BTB02593 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 SB00764 [0,1,0,1,0,0|2,0,0]=4 83 B13R2.3683 CC1=NC2=CC=C(Cl)C=C2C=C1 RJC01119 [0,1,0,1,0,0|2,0,0]=4 84 B13R2.162 CC1=CC2=C(C=CC=C2N)N=N1 RJC02157 [0,1,0,1,0,0|2,0,0]=4 85 B13R2.162 CC1=NC2=C(Cl)C=CC=C2C=C1 RJC01118 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.162 CC1=NC2=C(I)C=CC=C2C=C1 BTB12804 [0,1,0,1,0,0|2,0,0]=4