0 B12R1.308 CCCC(=O)C1=NC=CC=C1C N12473 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.308 CCOC(=O)C1=C(Cl)C=CN=C1 I11421 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.308 CCOC(=O)C1=C(O)CCOC1 O11794 [0,0,0,0,0,0|1,0,3]=4 3 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 84695 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.308 CCOC(=O)C1=C(O)N=NC=C1 30510 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.308 CCOC(=O)C1=CC=CNC1=O C90445 [0,0,0,0,0,0|1,0,1]=2 6 B12R1.308 CCOC(=O)C1=CNC=CC1=O D83257 [0,0,0,0,0,0|1,0,1]=2 7 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.17 CCOCC1=C(Br)C=CC=C1 N10194 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 F13138 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.222 CCN(N)C1=C(C)C=CC=C1 D90541 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.222 CNC(=O)C1=NC=CC=C1C D75083 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.222 COC(=O)C1=CC=CN=C1I 78871 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.222 C\C(=N/O)C1=C(O)C=CC=C1 11574 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [1,0,0,0,0,0|1,0,0]=2 19 B13R1.446 CCCC(=O)C1=C(C)C=CC(C)=C1 N12396 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.446 CCOC(=O)C1=C(Br)C=CC(=O)N1 D75004 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.446 CCOC(=O)C1=C(Br)C=NC(Cl)=C1 36407 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(N)=N1 D75009 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(O)=C1 CL9624 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.464 C#CC1=C(C(=O)OCC)C=CC=C1 A50668 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.464 CCOC(=O)C1=C(CC)C=CC=C1 W18909 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.696 CCN(C)C(=O)C1=CC=CN=C1Cl 76949 [0,1,0,0,0,0|3,0,0]=4 27 B13R1.4453 CCOC(=O)C1=C(F)C=CC=C1C S10861 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.4453 CCOC(=O)C1=C(F)C=NC=C1C W11401 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.4453 CCOC(=O)C1=C(I)C=CN=C1Cl 77494 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.18 CC1=C(C2OCCO2)C=CC=C1 71551 [0,0,0,1,0,0|1,0,2]=4 31 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 O10832 [0,0,0,1,0,0|1,0,1]=3 32 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 D85489 [0,0,0,1,0,0|1,1,0]=3 33 B11R1.199 CCOC(=O)C1=C(Br)C=CN1 P20624 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.199 CCOC(=O)C1=NNC=C1I 38818 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.199 CCOC(=O)N1C=CC=C1Br AC4032 [0,0,0,0,1,0|2,0,0]=3 36 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [2,0,0,0,0,0|0,0,1]=3 43 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [2,0,0,0,0,0|1,0,0]=3 44 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.4 N\N=C\C1=C(O)C=CC=C1 F15584 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [2,0,0,0,0,0|1,0,1]=4 48 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.61 NC(=O)C1=NC=CC=C1O D90953 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.61 NC(=S)C1=C(O)C=CC=C1 A10504 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.61 NC1=C(C(=O)O)C=CN=C1 O10944 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.61 NC1=CC=CN=C1C(=O)O O10945 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.61 O=C(Cl)C1=C(Br)C=CC=C1 I10233 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 CL0204 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.61 O=C(O)C1=C(F)C=CC=N1 AC3521 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.61 O=C(O)C1=CC=CN=C1S F14851 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 D91263 [2,0,0,0,0,0|0,0,1]=3 58 B10R1.61 O=C([O-])C1=C([S-])C=CC=C1 H10793 [2,0,0,0,0,0|0,1,1]=4 59 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 91787 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.16 CCOC(=O)C1=NN=C(O)C=C1 78700 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 D85905 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.17 CCOC(=O)C1=CN=CC(O)=C1 70809 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.30 C=CCOC(=O)C1=CC=NC=C1 D91085 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.30 CCCCC(=O)C1=CN=CC=C1 N12060 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.34 CNC(=O)C(=O)C1=CC=CC=C1 E72128 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.24 CNC(=O)C1=C(C)C(N)=CC=C1 D85892 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1Br N12332 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.24 COC(=O)C1=CC=CC(F)=C1C 90026 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.77 COC(=O)C1=C(NN)C=CC=C1 20533 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.195 CCC(C)(C)C1=C(O)C=CC=C1 D88477 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.354 CCC(=O)C1=C(C)C=CC(C)=C1 N12086 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.354 CCC(=O)C1=C(O)C=CC(C)=C1 D91039 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.354 COC(=O)C1=C(Br)C=CC(Br)=N1 D74281 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1F 33480 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.354 O=C(CBr)C1=C(Cl)C=CC(F)=C1 F20914 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.1703 O=C(CBr)C1=C(F)C=C(Br)C=C1 67274 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.1703 O=C(CBr)C1=C(O)C=C(F)C=C1 F13712 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.3441 CNC(=O)C1=C(N)C=CC=C1C E72727 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.1589 CCOC(=O)C1=C(O)ON=C1C S12267 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.950 CCOC(=O)CC1=C(C)C=CC(F)=C1 97487 [0,1,0,0,0,1|1,0,0]=3 85 B14R1.6823 CCOC(=O)CC1=C(C)C=C(F)C=C1 97493 [0,1,0,0,0,1|1,0,0]=3 86 B14R1.6823 CCOC(=O)CC1=C(O)N=C(S)N=C1 L10139 [0,1,0,0,0,1|2,0,0]=4 87 B14R1.7265 CCOC(=O)C1=CC=C(C)C(F)=C1F AT22319 [0,2,0,0,0,0|1,0,0]=3 88 B14R1.7281 CCOC(=O)C1=C(F)C=CC(I)=C1F AT22357 [0,2,0,0,0,0|1,0,0]=3 89 B14R1.7264 CCCC(=O)C1=C(O)C=C(O)C(O)=C1 F11160 [0,2,0,0,0,0|1,0,0]=3 90 B14R1.7264 CCOC(=O)C1=C(Cl)N=C(Cl)C(Cl)=C1 W13765 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.263 CCOC(=O)C1=C(N=C=O)C=CC=C1 D81710 [0,2,0,0,0,0|0,0,1]=3 92 B14R1.623 CCOC(=O)C1=C(N(C)C)C=CN=C1 E71655 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.7276 CCOC(=O)C1=C(F)C=CC=C1OC D75551 [0,2,0,0,0,0|0,0,0]=2 94 B14R1.2523 CCCCC(=O)C1=C(O)C=C(C)C=C1 75554 [0,2,0,0,0,0|1,0,0]=3 95 B14R1.3624 CCN(CC)C(=O)C1=C(C)C=CC=C1 E72617 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.7234 CCOC(=O)C1=C(O)N=C(C=S)N=C1 E10280 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.18811 CCOC(=O)C1=C(O)N=C(C)C=C1C 84665 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.51 CCOC(=O)\C=C\C1=CSC=C1 W11590 [0,0,1,1,0,0|2,0,0]=4 99 B12R2.2028 O=C1O[C@@H](Br)C2=C1C=CC=C2 S10466 [1,0,0,1,0,0|1,0,0]=3 100 B12R2.2028 O=C1O[C@@H](Cl)C2=C1C=CC=C2 D86720 [1,0,0,1,0,0|1,0,0]=3 101 B12R2.2075 O=C(C1=CN=CC=C1)C2CC2 30696 [1,0,0,1,0,0|2,0,0]=4 102 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 D97187 [1,0,0,1,0,0|1,0,0]=3 103 B12R2.203 O=C1NCC2=CC=CC(Cl)=C12 Y10069 [1,0,0,1,0,0|2,0,0]=4 104 B14R2.296 O=C1CCCN1C2=C(Br)C=CC=C2 AC6775 [0,0,0,1,0,1|2,0,0]=4 105 B14R2.4621 O=C(NC1=C(Br)C=CC=C1)C2CC2 84831 [0,0,0,1,0,1|2,0,0]=4 106 B14R2.2 CC(=O)OC1=COC2=C1C=CC=C2 AC8972 [0,1,0,1,0,0|1,0,1]=4 107 B14R2.4633 O=C(NC1CC1)C2=C(Br)C=CC=C2 N10327 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.5637 O=C1CCCCC2=C1C=C(F)C=C2 N12303 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.5637 O=C1CCCOC2=C1C=C(Cl)C=C2 N12400 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.11 CCCC(=O)C1=CCC=C1 F14009 [1,0,0,0,1,0|1,0,1]=4 111 B10R1.11 CCOC(=O)C1=CC=NN1 P10125 [1,0,0,0,1,0|2,0,0]=4 112 B10R1.11 CCOC(=O)C1=CN=CN1 W10269 [1,0,0,0,1,0|2,0,0]=4 113 B10R1.149 COC(=O)C1=C(Br)OC=C1 A11295 [1,0,0,0,1,0|2,0,0]=4 114 B14R1.598 CCOC(=O)COC1=C(C)C=CC=C1 D86261 [0,0,0,0,0,2|1,0,0]=3 115 B14R1.598 CCOC(=O)\C=C\C1=C(F)C=CC=N1 D74996 [0,0,0,0,0,2|2,0,0]=4 116 B14R1.598 CCOC(=O)\C=C\C1=CC=CN=C1F D74998 [0,0,0,0,0,2|2,0,0]=4