0 B15R2.33 NC1=C(C2=CC=CC=C2)C=C(Cl)C=C1 C55574 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.21 BrC1=CC(C2=CC=CC=C2)=CC=C1 B5575 [1,0,0,0,0,0|2,0,0]=3 2 B14R2.21 BrC1=CC(C2=CC=NC=C2)=CC=C1 B55258 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.21 BrC1=CC(C2=CN=CC=C2)=CC=C1 B55256 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.21 BrC1=CC(C2=NC=CC=C2)=CC=C1 B55254 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.21 BrC1=CN=CC(C2=CC=CC=C2)=C1 B38158 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.21 BrC1=NC(C2=CC=CC=C2)=CC=C1 B55252 [1,0,0,0,0,0|3,0,0]=4 7 B14R2.21 BrC1=NC=CC(C2=CC=CC=C2)=C1 B55251 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.21 CC1=CC(C2=CC=CC=C2)=NC=C1 M55634 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.21 CC1=CC=CC(C2=NC=CC=C2)=C1 T55630 [1,0,0,0,0,0|2,0,0]=3 10 B14R2.21 CC1=CC=CC(C2=NC=CC=C2)=N1 M54263 [1,0,0,0,0,0|3,0,0]=4 11 B14R2.21 ClC1=NC=CC(C2=CC=CC=C2)=C1 C55260 [1,0,0,0,0,0|3,0,0]=4 12 B14R2.21 IC1=CC(C2=CC=CC=C2)=CC=C1 K56478 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.21 NC1=CC(C2=CC=CC=C2)=CC=C1 A67960 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.21 NC1=CC(C2=CC=CC=C2)=CC=C1 B56564 [1,0,0,0,0,0|2,0,0]=3 15 B14R2.21 NC1=CC(C2=CC=CC=C2)=NC=C1 P54257 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.21 NC1=CC=CC(C2=CC=CN=C2)=C1 P54264 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.21 NC1=CC=CC(C2=NC=CC=C2)=C1 P55547 [1,0,0,0,0,0|3,0,0]=4 18 B14R2.21 NC1=NC(C2=CC=CC=C2)=CC=C1 A54261 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.21 NC1=NC=CC(C2=CC=CC=C2)=C1 P32196 [1,0,0,0,0,0|3,0,0]=4 20 B14R2.21 OC1=NC=CC(C2=CC=CC=C2)=C1 P55344 [1,0,0,0,0,0|3,0,0]=4 21 B14R2.21 [Mg+]C1=CC(C2=CC=CC=C2)=CC=C1 B31801 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.24 BrC1=C(C2=CC=CC=C2)C=CC=C1 B67423 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.24 BrC1=C(C2=NC=CC=C2)C=CC=C1 B37235 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.24 BrC1=NC=CC=C1C2=CC=CC=C2 B55250 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.24 CC1=C(C2=CC=CC=C2)C=NC=C1 M55635 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.24 CC1=C(C2=NC=CC=C2)C=CC=C1 T55631 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.24 CC1=CC=CN=C1C2=CC=CC=C2 M55633 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.24 FC1=C(C2=CC=CC=C2)C=CC=C1 F69017 [1,0,0,0,0,0|2,0,0]=3 29 B14R2.24 IC1=C(C2=CC=CC=C2)C=CC=C1 I37854 [1,0,0,0,0,0|2,0,0]=3 30 B14R2.24 NC1=C(C2=CC=CC=C2)C=NC=C1 P61388 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.24 NC1=NC=CC=C1C2=CC=CC=C2 P54258 [1,0,0,0,0,0|3,0,0]=4 32 B14R2.24 OC1=C(C2=CC=CC=C2)N=CC=C1 P55342 [1,0,0,0,0,0|2,0,1]=4 33 B14R2.24 OC1=C(C2=NC=CC=C2)C=CC=C1 P55346 [1,0,0,0,0,0|2,0,1]=4 34 B14R2.24 OC1=NC=CC=C1C2=CC=CC=C2 P55343 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.24 [Mg+]C1=C(C2=CC=CC=C2)C=CC=C1 B31800 [1,0,0,0,0,0|2,0,0]=3 36 B16R2.2443 COC1=C(C2=CC=CC=C2)C=C(N)C=C1 M57408 [0,1,0,0,0,0|2,0,1]=4 37 B16R2.6164 NC1=CC(Cl)=NN(C2=CC=CC=C2)C1=O A53693 [0,1,0,0,0,0|2,0,0]=3 38 B16R3.2583 BrC1=CC2=C(C=C1)NC3=C2C=CC=C3 B68070 [0,0,0,1,0,0|3,0,0]=4 39 B16R3.2583 BrC1=CC2=C(C=C1)OC3=C2C=CC=C3 B38465 [0,0,0,1,0,0|2,0,1]=4 40 B16R3.2583 BrC1=CC2=C(C=C1)SC3=C2C=CC=C3 B56381 [0,0,0,1,0,0|2,1,0]=4 41 B16R3.2583 CC1=CC2=C(C=C1)NC3=C2C=CC=C3 M63499 [0,0,0,1,0,0|2,0,0]=3 42 B16R3.2583 IC1=CC2=C(C=C1)NC3=C2C=CC=C3 K56442 [0,0,0,1,0,0|3,0,0]=4 43 B16R3.2583 IC1=CC2=C(C=C1)OC3=C2C=CC=C3 K56403 [0,0,0,1,0,0|2,0,1]=4 44 B16R3.2583 NC1=CC2=C(C=C1)OC3=C2C=CC=C3 D56506 [0,0,0,1,0,0|2,0,1]=4 45 B16R3.2583 OC1=CC2=C(C=C1)NC3=C2C=CC=C3 C63505 [0,0,0,1,0,0|3,0,0]=4 46 B14R2.277 O=C1C=CC(=O)N1C2=CC=CC=C2 P69244 [0,0,0,0,1,0|1,0,0]=2 47 B14R2.277 O=C1CCC(=O)N1C2=CC=CC=C2 P53916 [0,0,0,0,1,0|1,0,2]=4 48 B14R2.277 O=C1CNC(=O)N1C2=CC=CC=C2 P51384 [0,0,0,0,1,0|2,0,1]=4 49 B14R2.277 O=C1N=NC(=O)N1C2=CC=CC=C2 P69003 [0,0,0,0,1,0|3,0,0]=4 50 B14R2.277 O=C1NNC(=O)N1C2=CC=CC=C2 P48409 [0,0,0,0,1,0|3,0,0]=4 51 B14R2.598 NC1=CC(=O)N(C2=CC=CC=C2)N1 A51720 [0,0,0,0,1,0|2,0,0]=3 52 B14R2.598 NC1=CC(O)=NN1C2=CC=CC=C2 A51717 [0,0,0,0,1,0|3,0,0]=4 53 B14R2.598 NC1=NN(C2=CC=CC=C2)C(O)=C1 A51716 [0,0,0,0,1,0|2,0,1]=4 54 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 P53492 [0,0,0,0,1,0|3,0,0]=4 55 B13R2.3 C1=CC=C(C2=CC=NC=C2)C=C1 P69068 [2,0,0,0,0,0|2,0,0]=4 56 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 P67859 [2,0,0,0,0,0|2,0,0]=4 57 B15R2.17 BrCC1=CC(C2=CC=CC=C2)=CC=C1 P56692 [1,1,0,0,0,0|1,0,0]=3 58 B15R2.17 NNC1=CC(C2=CC=CC=C2)=CC=C1 B56569 [1,1,0,0,0,0|2,0,0]=4 59 B15R2.17 OCC1=CN=CC(C2=CC=CC=C2)=C1 P55657 [1,1,0,0,0,0|2,0,0]=4 60 B15R2.17 OCC1=NC=CC(C2=CC=CC=C2)=C1 P55656 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.30 NC1=CC=CC(C2=CC=CC(Cl)=C2)=C1 C61569 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.30 NC1=CC=CC(C2=CC=CC(N)=C2)=C1 B62770 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.30 OC1=CC=CC(C2=CC=CC(O)=C2)=C1 B62753 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.32 CC1=C(O)C=CC=C1C2=CC=CC=C2 M61734 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.32 CC1=CC=CC(C2=CC=CC=C2)=C1N M61013 [1,1,0,0,0,0|1,0,0]=3 66 B15R2.94 CC1=C(O)C=CC(C2=CC=CC=C2)=C1 M56776 [1,1,0,0,0,0|1,0,0]=3 67 B15R2.332 CC1=CC(C2=C(F)C=CC=C2)=NC=C1 F55576 [1,1,0,0,0,0|2,0,0]=4 68 B15R2.21 CNC1=C(C2=CC=CC=C2)C=CC=C1 M56799 [1,1,0,0,0,0|2,0,0]=4 69 B15R2.21 O=CC1=C(C2=CC=CC=C2)C=CC=C1 P17416 [1,1,0,0,0,0|1,0,0]=3 70 B15R2.21 O=CC1=C(C2=CC=NC=C2)C=CC=C1 P56510 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.21 O=CC1=C(C2=CN=CC=C2)C=CC=C1 P56509 [1,1,0,0,0,0|2,0,0]=4 72 B15R2.308 ClC1=CC=C(C2=C(Br)C=CC=C2)C=C1 B56406 [1,1,0,0,0,0|2,0,0]=4 73 B15R2.308 NC1=CC=C(N2C=CC=CC2=O)C=C1 A54272 [1,1,0,0,0,0|0,0,0]=2 74 B15R2.308 OC1=C(C2=CC=C(Br)C=C2)C=CC=C1 B56544 [1,1,0,0,0,0|1,0,1]=4 75 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC(Br)=C1 B39688 [1,1,0,0,0,0|2,0,0]=4 76 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC(Cl)=C1 C56410 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.389 FC1=C(C2=CC=CC=C2)C=CC([Mg+])=C1 F31808 [1,1,0,0,0,0|2,0,0]=4 78 B15R2.389 FC1=CC(F)=C(C2=CC=CC=C2)C=C1 D56411 [1,1,0,0,0,0|2,0,0]=4 79 B15R2.389 NC1=CC(=O)N(C2=CC=CC=C2)N=C1 A53874 [1,1,0,0,0,0|1,0,0]=3 80 B15R2.389 OC1=CC(O)=C(C2=CC=CC=C2)C=C1 B55609 [1,1,0,0,0,0|1,0,1]=4 81 B15R2.555 BrC1=C(C2=C(Br)C=CC=C2)C=CC=C1 D64970 [1,1,0,0,0,0|2,0,0]=4 82 B15R2.555 CC1=C(C2=C(O)C=CC=C2)C=CC=C1 M56777 [1,1,0,0,0,0|1,0,1]=4 83 B15R2.555 NC1=C(C2=C(F)C=CC=C2)C=CC=C1 F55575 [1,1,0,0,0,0|2,0,0]=4 84 B15R2.555 OC1=C(C2=C(O)C=CC=C2)C=CC=C1 B68936 [1,1,0,0,0,0|1,0,1]=4 85 B15R2.18925 CC1=CC=C(C)N1C2=CC=C(I)C=C2 K67615 [0,1,0,0,1,0|1,0,0]=3 86 B15R2.18925 O=C1C=CC(=O)N1C2=CC=C(O)C=C2 H53581 [0,1,0,0,1,0|1,0,0]=3 87 B15R2.334 CC1=CC(C)=NN1C2=CC=CC(Br)=C2 B54378 [0,1,0,0,1,0|2,0,0]=4 88 B15R2.1682 CCC1=NN(C2=CC=CC=C2)C(N)=C1 E54615 [0,1,0,0,1,0|2,0,0]=4 89 B17R2.5356 CC1=CC(C(=O)C2=CC=CC=C2)=C(N)C=C1 A57611 [0,1,0,0,0,1|2,0,0]=4 90 B17R2.1939 O=C1C=C(CO)N(C2=CC=CC=C2)C=C1O H55685 [0,2,0,0,0,0|1,0,1]=4 91 B17R2.2358 CN1C(=O)C=C(N)N(C2=CC=CC=C2)C1=O A54398 [0,2,0,0,0,0|2,0,0]=4 92 B15R2.38 BrC1=C(NC2=CC=CC=C2)C=CC=C1 B61996 [0,0,1,1,0,0|2,0,0]=4 93 B15R2.38 CC1=C(NC2=CC=CC=C2)C=CC=C1 M56798 [0,0,1,1,0,0|1,0,0]=3 94 B15R2.38 NC1=C(NC2=CC=CC=C2)C=CC=C1 P68839 [0,0,1,1,0,0|2,0,0]=4 95 B15R2.29 BrC1=CC=C(NC2=CC=CC=C2)C=C1 B55573 [0,0,1,1,0,0|2,0,0]=4 96 B15R2.29 CC1=CC=C(NC2=CC=CC=C2)C=C1 M68953 [0,0,1,1,0,0|1,0,0]=3 97 B15R2.29 CC1=CC=C(OC2=CC=CC=C2)C=C1 M56775 [0,0,1,1,0,0|2,0,0]=4 98 B15R2.29 OC1=CC=C(NC2=CC=CC=C2)C=C1 P55654 [0,0,1,1,0,0|2,0,0]=4 99 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 D69036 [1,0,0,1,0,0|1,0,1]=4 100 B17R3.31713 O=C1C2=C(C=CC=C2)C3=C1C=CC(Br)=C3 B57304 [0,1,0,1,0,0|2,0,0]=4 101 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 D54632 [0,0,1,0,1,0|1,0,1]=4 102 B13R1.45 O=C(O)\C=C\C(=O)C1=CC=CC=C1 B61392 [0,0,1,0,1,0|2,0,0]=4 103 B13R2.10 BrC1=CN(C2=CC=CC=C2)N=C1 B51062 [1,0,0,0,1,0|2,0,0]=4 104 B13R2.10 CC1=NN(C2=CC=CC=C2)C=C1 M52280 [1,0,0,0,1,0|1,0,0]=3 105 B13R2.10 IC1=CN(C2=CC=CC=C2)N=C1 K68498 [1,0,0,0,1,0|2,0,0]=4 106 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 P9980 [1,0,0,0,1,0|2,0,0]=4 107 B13R2.10 O=C1C=CN(C2=CC=CC=C2)N1 P51358 [1,0,0,0,1,0|2,0,0]=4 108 B13R2.15 CC1=CC=NN1C2=CC=CC=C2 M62966 [1,0,0,0,1,0|1,0,0]=3 109 B13R2.15 IC1=CC=NN1C2=CC=CC=C2 K51098 [1,0,0,0,1,0|2,0,0]=4 110 B13R2.15 NC1=CC=NN1C2=CC=CC=C2 P25545 [1,0,0,0,1,0|2,0,0]=4 111 B13R2.15 OC1=CC=NN1C2=CC=CC=C2 P51348 [1,0,0,0,1,0|2,0,0]=4 112 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CC=C1 B56543 [1,0,0,0,0,1|2,0,0]=4 113 B15R2.31 NC1=CC=CC(OC2=CC=CC=C2)=C1 P62385 [1,0,0,0,0,1|2,0,0]=4 114 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 B56773 [1,0,0,0,0,1|2,0,0]=4 115 B15R2.31 OC1=CC=CC(OC2=CC=CC=C2)=C1 P61671 [1,0,0,0,0,1|2,0,0]=4