0 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 S03159 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.43 CN(C)C(=S)NC1=CC=CC=C1 S01810 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.43 C\C(=C/C1=CC=CC=C1)[N+](=O)[O-] S06879 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SB02005 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.40 CNC(=S)NC1=CC=CC=C1 GK03238 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.40 COC(=S)NC1=CC=CC=C1 BTB11637 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.40 CSC(=N)NC1=CC=CC=C1 NRB04582 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.91 NC(=O)COC1=CC=CC=C1 SPB04334 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.91 NC(=O)NNC1=CC=CC=C1 S14722 [1,0,0,0,0,0|3,0,0]=4 9 B13R1.133 C\C(=C/C1=CC=C(Cl)C=C1)[N+](=O)[O-] S04023 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)[N+](=O)[O-] S11474 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.135 CC(=C/C1=CC=CC=C1)\C(C)=N\O NRB01487 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.135 C\C(=N/O)C(=O)NC1=CC=CC=C1 BTBG00175 [0,1,0,0,0,0|2,0,1]=4 13 B13R1.202 C\C(=C/C1=CC=CC=C1Cl)[N+](=O)[O-] S03994 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(=O)O JFD03250 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.418 N#C\C(=C/C1=CC=CC=C1)C(N)=O BTB09600 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.418 N#C\C(=C/C1=NC=CC=C1)C(N)=O RB00244 [0,1,0,0,0,0|2,0,1]=4 17 B13R1.418 N#C\C(=C\C1=CC=NC=C1)C(N)=O RB00243 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.369 CC1=NC2=C(C=CC=C2)NC1=O XBX00029 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.369 CC1=NC2=CC=CC=C2N=C1C XBX00028 [0,0,0,1,0,0|2,0,0]=3 20 B13R2.369 CC1=NC2=CC=CC=C2N=C1O RF02078 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.435 CC(=O)C1=NC2=CC=CC=C2S1 SEW02805 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.435 CS(=O)C1=NC2=C(C=CC=C2)S1 NRB00584 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CC12801 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)O1 CC06601 [0,0,0,1,0,0|2,0,0]=3 25 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)S1 CC12201 [0,0,0,1,0,0|2,0,0]=3 26 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)C1 KM06597 [0,0,0,1,0,0|1,0,2]=4 27 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 BTB14322 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)O1 CC23901 [0,0,0,1,0,0|2,0,1]=4 29 B11R1.35 C\C(=C/C1=CC=CS1)[N+](=O)[O-] S03995 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 RH01105 [0,0,0,0,1,0|2,0,0]=3 31 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 TL00838 [0,0,0,0,1,0|2,1,0]=4 32 B11R1.36 CN(C)C(=S)C1=CC=CC=C1 CD03238 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 JFD03710 [0,0,0,0,1,0|2,0,1]=4 34 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 JFD03933 [0,0,0,0,1,0|2,0,1]=4 35 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O XBX00173 [0,0,0,0,0,1|1,0,2]=4 36 B13R1.351 CN(C)C(=O)\C=C\C1=CC=CC=C1 NRB01986 [0,0,0,0,0,1|3,0,0]=4 37 B12R1.34 C=C(C1=CC=CC=C1)\C(C)=N\O BTBG00181 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.34 C\C(=N/O)C(=O)C1=CC=CC=C1 GK02977 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.21 CC(=O)\C=C/C1=CC=[N+](C)C=C1 BTB12919 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.21 CC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01418 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(Cl)C=C1 S03529 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.21 O=[N+]([O-])\C=C\C1=CC=C(F)C=C1 S11468 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O EN00218 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.27 CCC(=O)NNC1=CC=CC=C1 BTB10204 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.27 COC(=O)NCC1=CC=CC=C1 JFD01099 [1,1,0,0,0,0|1,0,1]=4 46 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 JFD03490 [1,1,0,0,0,0|1,0,1]=4 47 B12R1.107 CC(=O)N[C@H](C)C1=CC=CC=C1 HTS06398 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.125 CC(=O)NCC1=CC=CC=C1Br NRB00715 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.125 O=[N+]([O-])\C=C\C1=CC=CC=C1Cl S01393 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(Cl)=C1 S05525 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.226 O=[N+]([O-])\C=C\C1=CC=CC(F)=C1 S14126 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.891 NS(=O)(=O)\C=C\C1=CC=CC=C1 CD01301 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.298 CC(=O)\C(C#N)=C\C1=CC=CS1 NRB00397 [0,1,0,0,1,0|1,0,1]=4 55 B12R1.298 CC(=O)\C(C#N)=C\C1=COC=C1 NRB00473 [0,1,0,0,1,0|1,0,1]=4 56 B12R1.298 CC(=O)\C(C#N)=C\C1=CSC=C1 NRB00474 [0,1,0,0,1,0|1,0,1]=4 57 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 JFD02109 [0,1,0,0,1,0|1,0,1]=4 58 B12R1.478 CC(=O)\C(=N/O)C1=CC=CC=C1 CD01161 [0,1,0,0,1,0|1,0,0]=3 59 B12R1.478 C\C=C(/C(=O)O)C1=CC=CC=C1 BTBG00057 [0,1,0,0,1,0|1,0,0]=3 60 B12R1.478 C\C=C(\C(=O)O)C1=CC=CC=C1 NRB02306 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.564 CN(C1=CC=CC=C1)S(C)(=O)=O KM05145 [0,1,0,0,1,0|2,0,0]=4 62 B14R1.337 CC(=O)CC(=O)NC1=CC=CC=C1Cl BTB13411 [0,1,0,0,0,1|2,0,0]=4 63 B14R1.698 CC(=O)CC(=O)NC1=CC=C(Cl)C=C1 GK03631 [0,1,0,0,0,1|2,0,0]=4 64 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S07576 [0,1,0,0,0,1|1,0,1]=4 65 B14R1.3 COC1=CC=C(\C=C(/C)[N+](=O)[O-])C=C1 S04334 [0,2,0,0,0,0|2,0,0]=4 66 B14R1.3 CSC1=CC=C(\C=C(/C)[N+](=O)[O-])C=C1 P00093 [0,2,0,0,0,0|2,0,0]=4 67 B14R1.3 C\C(=C/C1=CC=C(C#N)C=C1)[N+](=O)[O-] S10006 [0,2,0,0,0,0|2,0,0]=4 68 B14R1.134 CC(=C/C1=CC=C(Cl)C=C1)\C(C)=N\O NRB01489 [0,2,0,0,0,0|0,0,1]=3 69 B14R1.536 CC1=CC=C(\C=C(/C#N)C(=O)O)C=C1 JFD03253 [0,2,0,0,0,0|1,0,1]=4 70 B14R1.536 CC1=CC=C(\C=C(/C#N)C(N)=O)C=C1 JA00017 [0,2,0,0,0,0|1,0,1]=4 71 B14R1.536 N#C\C(=C/C1=CC=C(Cl)C=C1)C(N)=O DP00522 [0,2,0,0,0,0|1,0,1]=4 72 B14R1.536 N#C\C(=C/C1=CC=C(O)C=C1)C(N)=O JA00019 [0,2,0,0,0,0|1,0,1]=4 73 B14R1.6049 C\C(=C/C1=CC=C(Cl)C=C1Cl)[N+](=O)[O-] S11816 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.75 COC1=CC(\C=C(/C)[N+](=O)[O-])=CC=C1 S12170 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.1017 C\C(C1=CC=CC=C1)=C(\C#N)C(N)=O NRB04281 [0,2,0,0,0,0|1,0,1]=4 76 B14R1.550 N#C\C(=C/C1=C(Cl)C=CC=C1)C(N)=O DP00523 [0,2,0,0,0,0|1,0,1]=4 77 B12R2.18 CC1=[N+](C)C2=CC=CC=C2S1 S11049 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.2403 O=S1(=O)C=CC2=C1C=CC=C2 MWP00042 [1,0,0,1,0,0|2,0,0]=4 79 B12R2.252 CC(=O)C1=CC2=C(C=CS2)N1 SEW02099 [0,0,0,1,1,0|2,0,0]=4 80 B14R2.19 O=C1C=C(NC2=CC=CC=C2)CO1 BTB11211 [0,0,0,1,0,1|2,0,0]=4 81 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CC04701 [0,0,0,1,0,1|1,0,1]=4 82 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 CC04401 [0,0,0,1,0,1|2,0,0]=4 83 B14R2.4529 CC(=O)C1=CC2=C(C=CC(Cl)=C2)O1 DP02005 [0,1,0,1,0,0|1,0,0]=3 84 B14R2.4529 CC1=CC2=C(C=C1)SC(C(=O)O)=C2 MO00911 [0,1,0,1,0,0|2,0,0]=4 85 B14R2.4529 CC1=CC=C2NC(C(=O)O)=CC2=C1 JFD03921 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 RH01182 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.8239 CC1=CC=C2C=C(C)C(C)=CC2=C1 JFD03643 [0,1,0,1,0,0|1,0,0]=3 88 B14R2.8239 CC1=NC2=CC=C(Cl)C=C2N=C1C RDP00197 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)S1 BTB07526 [0,1,0,1,0,0|1,0,0]=3 90 B14R2.972 C\C(=N/O)C1=CC2=C(C=CC=C2)O1 BTB04227 [0,1,0,1,0,0|1,0,1]=4 91 B14R2.972 NNC(=O)C1=CC2=C(C=CC=C2)S1 BTB04184 [0,1,0,1,0,0|2,0,0]=4 92 B14R2.1128 N#CC1=CC2=C(C=CC=C2)OC1=O BTB01247 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.4514 CC1=C(N)C(C2=CC=CC=C2)=NO1 TL01028 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O SEW00767 [0,1,0,1,0,0|1,0,0]=3 95 B14R2.8188 CN1C(=O)CC2=CC=CC=C2C1=O RJC04083 [0,1,0,1,0,0|1,0,0]=3 96 B14R2.8188 O=C1NC2=CC=CC=C2C(O)=C1Br RJC01448 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.450 CC(=O)C1=C(C)C2=C(C=CC=C2)S1 MWP00008 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.450 NC(=O)C1=C(Cl)C2=C(C=CC=C2)S1 BTB07540 [0,1,0,1,0,0|2,0,0]=4 99 B12R1.252 CC(=O)N\N=C\C1=CC=CC=C1 BTB12720 [1,0,0,0,0,1|1,0,0]=3 100 B14R1.423 CC(=O)CNC(=O)CC1=CC=CC=C1 BTB09315 [0,0,0,0,0,2|1,0,1]=4 101 B14R1.818 CC(=C\C(=O)O)\C=C\C1=CC=CN=C1 BTB12916 [0,0,0,0,0,2|2,0,0]=4 102 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 BTB13412 [0,0,0,0,0,2|1,0,1]=4 103 B14R1.818 CC(=O)NC(=O)NCC1=CC=CC=C1 RJC03822 [0,0,0,0,0,2|1,0,1]=4 104 B14R1.818 CC(=O)NC(C)CCC1=CC=CC=C1 JFD03491 [0,0,0,0,0,2|0,0,2]=4 105 B14R1.818 CC(\C=C\C1=CC=CN=C1)=C/C(=O)O JFD01146 [0,0,0,0,0,2|2,0,0]=4 106 B14R1.818 CC(\C=C\C1=CC=CN=C1)=C/C(=O)O JFD01148 [0,0,0,0,0,2|2,0,0]=4