0 B12R2.18 CN1C(Cl)=NC2=C1C=CC=C2 PHBB_SC-11292 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-02944 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.18 NC1C(=O)NC2=CC=CC=C21 PHBB_NC-03448 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O PHBB_NC-01952 [0,0,0,0,0,0|1,0,1]=2 4 B11R2.10 CC1=NC2=C(C=CC=C2)N1 PHBB_SC-04961 [1,0,0,0,0,0|1,0,1]=3 5 B11R2.10 ClC1=NC2=CC=CC=C2N1 PHBB_SC-01131 [1,0,0,0,0,0|1,0,1]=3 6 B11R2.10 NC1=NC2=C(C=CC=C2)S1 PHBB_SC-04837 [1,0,0,0,0,0|2,0,1]=4 7 B11R2.10 NC1=NC2=CC=CC=C2N1 PHBB_SC-07179 [1,0,0,0,0,0|1,0,1]=3 8 B11R2.10 O=C1CC2=C(C=CC=C2)N1 PHBB_SC-03590 [1,0,0,0,0,0|1,0,0]=2 9 B11R2.10 O=C1NC2=C(C=CC=C2)O1 PHBB_NC-03233 [1,0,0,0,0,0|1,0,0]=2 10 B11R2.10 O=C1NC2=C(N=CC=C2)N1 PHBB_SC-07859 [1,0,0,0,0,0|1,0,0]=2 11 B11R2.10 SC1=NC2=C(C=CC=C2)N1 PHBB_SC-04787 [1,0,0,0,0,0|0,1,1]=3 12 B11R2.10 SC1=NC2=C(C=CC=C2)O1 PHBB_SC-00028 [1,0,0,0,0,0|1,1,1]=4 13 B11R2.10 SC1=NC2=C(N=CC=C2)N1 PHBB_SC-10030 [1,0,0,0,0,0|1,1,1]=4 14 B11R2.10 SC1=NC2=CC=CC=C2S1 PHBB_SC-04052 [1,0,0,0,0,0|1,1,1]=4 15 B13R2.45 CN1C(C=O)=CC2=C1C=CC=C2 PHBB_SC-04562 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.45 CN1C(CN)=NC2=C1C=CC=C2 PHBB_SC-11478 [0,1,0,0,0,0|2,0,1]=4 17 B13R2.45 CN1C(NN)=NC2=C1C=CC=C2 PHBB_SC-10035 [0,1,0,0,0,0|2,0,1]=4 18 B13R2.45 CN1C2=C(C=CC=C2)S\C1=N\N PHBB_SC-07971 [0,1,0,0,0,0|3,0,0]=4 19 B13R2.45 CN1C2=CC=CC=C2N=C1C=O PHBB_SC-11240 [0,1,0,0,0,0|1,0,1]=3 20 B13R2.45 CN1C2=CC=CC=C2N=C1CN PHBB_SC-06411 [0,1,0,0,0,0|2,0,1]=4 21 B13R2.135 C(=O)C1=C(C)NC2=C1C=CC=C2 PHBB_SC-00167 [0,1,0,0,0,0|2,0,1]=4 22 B13R2.135 O=C1NC2=C(C=CC=C2)\C1=N\O PHBB_SC-06738 [0,1,0,0,0,0|1,0,0]=2 23 B13R2.135 O=CC1C(=O)NC2=CC=CC=C21 PHBB_NC-03397 [0,1,0,0,0,0|1,0,1]=3 24 B13R2.3028 CC1=CC=C2NC(=O)C(=O)C2=C1 PHBB_SC-00764 [0,1,0,0,0,0|1,0,1]=3 25 B13R2.3028 O=C1NC2=C(C=C(Br)C=C2)C1=O PHBB_SC-03619 [0,1,0,0,0,0|1,0,1]=3 26 B13R2.3028 O=C1NC2=C(C=C(F)C=C2)C1=O PHBB_SC-04600 [0,1,0,0,0,0|1,0,1]=3 27 B13R2.3028 O=C1NC2=CC=C(Cl)C=C2C1=O PHBB_SC-06956 [0,1,0,0,0,0|1,0,1]=3 28 B13R2.3085 CN1C(=O)C(=O)C2=CC=CC=C21 PHBB_NC-02077 [0,1,0,0,0,0|1,0,1]=3 29 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 PHBB_SC-02296 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 PHBB_SC-06955 [0,1,0,0,0,0|1,0,1]=3 31 B13R2.4825 O=C1NC2=C(Cl)C=CC=C2C1=O PHBB_SC-04603 [0,1,0,0,0,0|1,0,1]=3 32 B11R1.36 NC(C(=O)Cl)C1=CC=CC=C1 PHBB_NC-00237 [0,0,1,0,0,0|3,0,0]=4 33 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 PHBB_NC-03684 [0,0,1,0,0,0|3,0,0]=4 34 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 PHBB_NC-02998 [0,0,1,0,0,0|2,0,0]=3 35 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 PHBB_NC-03020 [0,0,1,0,0,0|2,0,0]=3 36 B11R1.40 COC(=O)CC1=CC=CC=C1 PHBB_SC-08463 [0,0,1,0,0,0|3,0,0]=4 37 B11R1.40 NCC(=O)NC1=CC=NC=C1 PHBB_SC-06018 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.40 NCC(=O)NC1=NC=CC=C1 PHBB_SC-06017 [0,0,1,0,0,0|3,0,0]=4 39 B11R1.40 N\C(CC1=CC=CC=C1)=N/O PHBB_SC-06055 [0,0,1,0,0,0|2,0,1]=4 40 B11R1.40 O=C(CS)NC1=CC=CC=C1 PHBB_SC-00200 [0,0,1,0,0,0|1,1,0]=3 41 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O PHBB_SC-06813 [0,0,0,0,0,1|2,0,1]=4 42 B13R2.328 CC1=CC(O)=C2C=CC=CC2=N1 PHBB_SC-04683 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)O1 PHBB_NC-00277 [0,0,0,0,0,1|2,0,0]=3 44 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 PHBB_NC-00246 [0,0,0,0,0,1|1,0,1]=3 45 B13R2.369 OC1=NC2=C(C=CC=C2)N=C1O PHBB_SC-00701 [0,0,0,0,0,1|1,0,2]=4 46 B10R1.18 CC(=O)NC1=CN=CC=C1 PHBB_SC-09615 [1,0,1,0,0,0|2,0,0]=4 47 B10R1.18 N=C(N)CC1=CC=CC=C1 PHBB_SC-08622 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.18 NC(=S)NC1=CC=CC=C1 PHBB_SC-04815 [1,0,1,0,0,0|0,1,0]=3 49 B10R1.18 O=C(Cl)CC1=CC=CC=C1 PHBB_SC-04855 [1,0,1,0,0,0|2,0,0]=4 50 B10R1.18 O=C(Cl)OC1=CC=CC=C1 PHBB_SC-04902 [1,0,1,0,0,0|2,0,0]=4 51 B10R1.17 OCCNC1=CC=CC=C1 PHBB_SC-05134 [1,0,1,0,0,0|1,0,1]=4 52 B10R1.17 OC\C=C\C1=CC=CC=C1 PHBB_NC-01992 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.4 C=CCC1=CC=CC=C1O PHBB_SC-00690 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.20 O=CC1=CC=CC=C1C=O PHBB_SC-07648 [1,0,1,0,0,0|1,0,1]=4 55 B10R1.61 CC(=O)C1=CC=CC=C1N PHBB_SC-06120 [1,0,1,0,0,0|2,0,0]=4 56 B10R1.61 NC1=C(C(=O)O)C=CC=N1 PHBB_SC-03320 [1,0,1,0,0,0|2,0,0]=4 57 B10R1.61 NC1=CC=CC=C1C(=O)O PHBB_NC-03334 [1,0,1,0,0,0|1,0,0]=3 58 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] PHBB_SC-10499 [1,0,1,0,0,0|0,0,2]=4 59 B10R1.61 O=C(O)C1=C(I)C=CC=C1 PHBB_SC-04862 [1,0,1,0,0,0|2,0,0]=4 60 B10R1.61 O=C(O)C1=CC=CC=C1F PHBB_SC-09608 [1,0,1,0,0,0|2,0,0]=4 61 B10R2.7 C1=CC2=C(C=C1)NC=C2 PHBB_NC-01977 [2,0,0,0,0,0|1,0,0]=3 62 B10R2.7 C1=CC=C2NCCC2=C1 PHBB_SC-00310 [2,0,0,0,0,0|1,0,1]=4 63 B10R2.7 C1=CN=C2NC=CC2=C1 PHBB_SC-03511 [2,0,0,0,0,0|2,0,0]=4 64 B12R1.20 NC(=O)[C@H](N)C1=CC=C(O)C=C1 PHBB_SC-09673 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 PHBB_SC-05689 [0,1,1,0,0,0|1,0,0]=3 66 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 PHBB_NC-02032 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 PHBB_NC-01813 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.32 CCOC(=O)NC1=CC=CC=C1 PHBB_SC-04821 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.32 CNCC(=O)NC1=CC=CN=C1 PHBB_SC-04332 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.32 NCCC(=O)NC1=CC=CC=C1 PHBB_SC-08941 [0,1,1,0,0,0|2,0,0]=4 71 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 PHBB_SC-08935 [0,1,1,0,0,0|2,0,0]=4 72 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 PHBB_SC-08710 [0,1,1,0,0,0|2,0,0]=4 73 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 PHBB_SC-05652 [0,1,1,0,0,0|2,0,0]=4 74 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl PHBB_SC-05845 [0,1,1,0,0,0|2,0,0]=4 75 B12R2.1 C(=O)C1=CNC2=C1C=CC=C2 PHBB_NC-00307 [1,1,0,0,0,0|1,0,1]=4 76 B12R2.1 N#CC1=CNC2=CC=CC=C12 PHBB_SC-03279 [1,1,0,0,0,0|2,0,0]=4 77 B12R2.1 OCN1C=NC2=C1C=CC=C2 PHBB_SC-03988 [1,1,0,0,0,0|0,0,1]=3 78 B12R2.196 CN1C=CC2=C(N)C=CC=C21 PHBB_NC-03688 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 PHBB_NC-02661 [1,1,0,0,0,0|2,0,0]=4 80 B12R2.612 CN1C=NC2=C1C=CC(N)=C2 PHBB_SC-03778 [1,1,0,0,0,0|1,0,1]=4 81 B12R2.32 ClCC1=NC2=CC=CC=C2N1 PHBB_SC-03285 [1,1,0,0,0,0|1,0,1]=4 82 B12R2.32 NCC1=NC2=C(C=CC=C2)N1 PHBB_SC-10886 [1,1,0,0,0,0|1,0,1]=4 83 B12R2.32 NCC1=NC2=CC=CC=C2N1 PHBB_SC-04389 [1,1,0,0,0,0|1,0,1]=4 84 B12R2.32 NNC1=NC2=C(C=CC=C2)N1 PHBB_SC-03304 [1,1,0,0,0,0|1,0,1]=4 85 B12R2.32 O=CC1=NC2=CC=CC=C2N1 PHBB_SC-09909 [1,1,0,0,0,0|0,0,1]=3 86 B12R2.32 OCC1=NC2=C(C=CC=C2)N1 PHBB_SC-07083 [1,1,0,0,0,0|0,0,2]=4 87 B12R2.32 SCC1=NC2=CC=CC=C2N1 PHBB_SC-03594 [1,1,0,0,0,0|0,1,1]=4 88 B12R2.606 CC1=NC2=CC=C(N)C=C2N1 PHBB_SC-05897 [1,1,0,0,0,0|1,0,1]=4 89 B12R2.606 NC1=CC=C2NC(=O)NC2=C1 PHBB_SC-11037 [1,1,0,0,0,0|0,0,0]=2 90 B12R2.606 O=C1CC2=CC(Cl)=CC=C2N1 PHBB_SC-03714 [1,1,0,0,0,0|1,0,0]=3 91 B12R2.606 O=C1CC2=CC(F)=CC=C2N1 PHBB_SC-03903 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.606 O=C1CC2=CC=C(Cl)C=C2N1 PHBB_SC-01135 [1,1,0,0,0,0|1,0,0]=3 93 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 PHBB_SC-09777 [1,1,0,0,0,0|2,0,0]=4 94 B12R2.606 O=C1OC2=CC=C(O)C=C2S1 PHBB_SC-03950 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.203 O=C1C=CC2=C(C=CC=C2)\C1=N/O PHBB_SC-03636 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 PHBB_SC-08090 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 PHBB_NC-03763 [0,1,0,0,0,1|2,0,0]=4 98 B14R2.7724 CN1C(=O)CC(=O)C2=C1C=CC=C2 PHBB_SC-10417 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.29369 CN1C(=O)COC2=CC(N)=CC=C21 PHBB_SC-04486 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.8045 O=C1NC2=C(Cl)C=CC=C2C(=O)O1 PHBB_SC-09417 [0,1,0,0,0,1|1,0,1]=4 101 B14R2.8235 O=C1NC2=CC=C(Br)C=C2C(=O)O1 PHBB_SC-05664 [0,1,0,0,0,1|1,0,1]=4 102 B14R2.8235 O=C1NC2=CC=C(Cl)C=C2C(=O)O1 PHBB_SC-05663 [0,1,0,0,0,1|1,0,1]=4 103 B14R2.29365 CC1=CC(=O)NC2=CC(N)=CC=C12 PHBB_SC-10824 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.1128 O=CC1=CC2=CC=CC=C2NC1=O PHBB_SC-10741 [0,1,0,0,0,1|1,0,1]=4 105 B14R2.8239 NC1=CC=C2NC(=O)C(=O)NC2=C1 PHBB_SC-11223 [0,1,0,0,0,1|1,0,1]=4 106 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 PHBB_SC-11656 [0,2,0,0,0,0|2,0,0]=4 107 B14R2.450 O=C(O)C1=NC2=CC=CC=C2N1O PHBB_SC-11346 [0,2,0,0,0,0|0,0,1]=3 108 B14R2.1095 CN1C(C=O)=CC2=CC(F)=CC=C21 PHBB_SC-08707 [0,2,0,0,0,0|2,0,0]=4 109 B14R2.1095 CN1C2=CC=C(Cl)C=C2N=C1C=O PHBB_SC-10863 [0,2,0,0,0,0|1,0,1]=4 110 B14R2.642 C=C(C)N1C(=O)NC2=CC=CC=C21 PHBB_SC-11604 [0,2,0,0,0,0|1,0,0]=3 111 B14R2.19306 CCN1C(=O)C(N)C2=CC=CC=C21 PHBB_SC-04526 [0,2,0,0,0,0|2,0,0]=4 112 B14R2.8716 CN1C(=O)C(=O)C2=CC(Br)=CC=C21 PHBB_SC-05657 [0,2,0,0,0,0|1,0,1]=4 113 B14R2.8716 CN1C(=O)C(=O)C2=CC(Cl)=CC=C21 PHBB_SC-08999 [0,2,0,0,0,0|1,0,1]=4 114 B14R2.8716 CN1C(=O)C(N)C2=CC(Cl)=CC=C21 PHBB_SC-10621 [0,2,0,0,0,0|2,0,0]=4 115 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Br)=C1 PHBB_SC-09040 [0,2,0,0,0,0|1,0,1]=4 116 B14R2.9184 CC1=CC(Br)=C2NC(=O)C(=O)C2=C1 PHBB_SC-05654 [0,2,0,0,0,0|1,0,1]=4 117 B14R2.9184 CC1=CC2=C(NC(=O)C2=O)C(C)=C1 PHBB_SC-05967 [0,2,0,0,0,0|1,0,1]=4 118 B14R2.9184 O=C1NC2=C(Br)C=C(Cl)C=C2C1=O PHBB_SC-05655 [0,2,0,0,0,0|1,0,1]=4 119 B14R2.9184 O=C1NC2=C(Cl)C=C(Br)C=C2C1=O PHBB_SC-09209 [0,2,0,0,0,0|1,0,1]=4 120 B14R2.9184 O=C1NC2=C(Cl)C=C(Cl)C=C2C1=O PHBB_SC-05656 [0,2,0,0,0,0|1,0,1]=4 121 B14R2.8620 CC1=C2NC(=O)C(=O)C2=C(C)C=C1 PHBB_NC-02097 [0,2,0,0,0,0|1,0,1]=4 122 B14R2.8620 O=C1NC2=C(C1=O)C(Cl)=CC=C2Cl PHBB_SC-05700 [0,2,0,0,0,0|1,0,1]=4 123 B14R2.27750 CC1=CC2=C(C(=O)C(=O)N2)C(C)=C1 PHBB_SC-05434 [0,2,0,0,0,0|1,0,1]=4 124 B14R2.27750 O=C1NC2=C(C1=O)C(Cl)=CC(Cl)=C2 PHBB_SC-08787 [0,2,0,0,0,0|1,0,1]=4 125 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 PHBB_SC-11805 [0,0,1,1,0,0|1,1,0]=4 126 B12R1.27 COC(=O)CNC1=CC=CC=C1 PHBB_SC-11456 [0,0,1,0,0,1|2,0,0]=4 127 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 PHBB_NC-02058 [0,0,0,0,0,2|1,0,1]=4