0 B14R2.5637 BrC1=CC=C2CCCCC(=O)C2=C1 AK-84594 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.5637 C[C@@H]1C2=C(CCNC1)C=CC(Cl)=C2 AK340968 [0,0,0,0,0,0|0,0,0]=0 2 B14R2.5637 C[C@H]1CNCCC2=CC=C(Cl)C=C12 AK142745 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.5637 ClC1=CC2=C(NCCCC2=O)C=C1 AK-29885 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.5637 NC1C2=CC(C)=CC=C2NCCC1 AK105895 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.3729 BrC1=CC=C2C(CNCCC2)=C1 AK128395 [1,0,0,0,0,0|2,1,0]=4 6 B13R2.3729 BrC1=CC=C2C(NCCCC2)=C1 AK142770 [1,0,0,0,0,0|2,1,0]=4 7 B13R2.5252 NC1C2=CC=CC=C2OCCC1 AK544241 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.9 CCCCCCC1=CC=C(Br)C=C1 AK-41336 [0,0,1,0,0,0|1,1,0]=3 9 B13R2.162 CC1CCNC2=C1C=C(Br)C=C2 AK145752 [0,0,0,0,1,0|1,1,0]=3 10 B13R2.162 ClC1=CC2=C(OCCC2=O)C=C1 AK-96042 [0,0,0,0,1,0|2,0,1]=4 11 B13R2.162 NC1=CC=C2C(=C1)N(CCC2)C AK-24010 [0,0,0,0,1,0|2,0,0]=3 12 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK-44781 [0,0,0,0,1,0|1,1,0]=3 13 B13R2.162 NC1CCCC2=C1C=C(Br)C=C2 AK173312 [0,0,0,0,1,0|1,1,0]=3 14 B13R2.162 NC1CCCC2=C1C=C(C)C=C2 AK172723 [0,0,0,0,1,0|2,0,0]=3 15 B13R2.162 NC1CCOC2=C1C=C(F)C=C2 AK-50869 [0,0,0,0,1,0|2,1,0]=4 16 B13R2.162 N[C@H]1CCOC2=C1C=C(Br)C=C2 AK172654 [0,0,0,0,1,0|2,1,0]=4 17 B13R2.162 N[C@H]1CCOC2=C1C=C(C)C=C2 AK-54354 [0,0,0,0,1,0|3,0,0]=4 18 B13R2.162 N[C@H]1CCOC2=C1C=C(Cl)C=C2 AK338233 [0,0,0,0,1,0|2,0,0]=3 19 B13R2.162 N[C@H]1CCOC2=C1C=C(F)C=C2 AK-50865 [0,0,0,0,1,0|2,1,0]=4 20 B13R2.162 O=C1C2=C(N=CC(Cl)=C2)CCC1 AK-31112 [0,0,0,0,1,0|2,0,1]=4 21 B13R2.162 O=C1CCCC2=C1C=C(Br)C=C2 AK-28669 [0,0,0,0,1,0|1,1,1]=4 22 B13R2.162 O=C1CCCC2=C1C=C(C)C=C2 AK126048 [0,0,0,0,1,0|2,0,1]=4 23 B13R2.162 O=C1CCCC2=C1C=C(Cl)C=C2 AK-34450 [0,0,0,0,1,0|1,0,1]=3 24 B13R2.162 O=C1CCCC2=C1C=C(O)C=C2 AK-34151 [0,0,0,0,1,0|2,0,1]=4 25 B13R2.162 O=C1NCCC2=C1C=C(Br)C=C2 AK-30172 [0,0,0,0,1,0|1,1,1]=4 26 B13R2.162 OC1=CC2=C(CCNC2=O)C=C1 AK-44219 [0,0,0,0,1,0|2,0,1]=4 27 B13R2.162 OC1CCCC2=C1C=C(N)C=C2 AK-82613 [0,0,0,0,1,0|2,0,0]=3 28 B12R1.1 CCCCCC1=CC=C(Br)C=C1 AK-50736 [1,0,1,0,0,0|0,1,0]=3 29 B12R1.1 NC1=CC=C(OCCCC)C=C1 AK-51310 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.1 OC1=CC=C(CCCCC)C=C1 AK208719 [1,0,1,0,0,0|1,0,0]=3 31 B12R1.1 OC1=CC=C(OCCCC)C=C1 AK114215 [1,0,1,0,0,0|2,0,0]=4 32 B12R1.8 CCCCCCC1=CC=NC=C1 AK123346 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.17 OCCC(N)C1=CC=CC(Cl)=C1 AK-44745 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.46 CC1=CC=C(OC)C(C(C)C)=C1 AK127708 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.46 NC1=CC=C(OC)C(C(C)C)=C1 AK140561 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.308 CCC[C@H](C1=CC=CC=C1C)N AK683690 [1,0,1,0,0,0|2,0,0]=4 37 B12R2.41 C12=CC=CC=C1CNCCC2 AK-36214 [2,0,0,0,0,0|2,0,0]=4 38 B12R2.41 N1CCCCC2=C1C=CC=C2 AK-21952 [2,0,0,0,0,0|2,0,0]=4 39 B14R1.14 CCCCCCOC1=CC=C(Br)C=C1 AK400707 [0,1,1,0,0,0|1,1,0]=4 40 B14R1.14 OC1=CC=C(OCCCCCC)C=C1 AK163282 [0,1,1,0,0,0|2,0,0]=4 41 B14R1.774 CCCCCCC1=C(O)C=C(O)C=C1 AK-25396 [0,1,1,0,0,0|2,0,0]=4 42 B14R2.4536 CC1(C)CCNC2=C1C=C(Br)C=C2 AK-27554 [0,1,0,0,1,0|1,1,0]=4 43 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 AK132642 [0,1,0,0,1,0|0,1,0]=3 44 B14R2.8045 NC1CCCC2=C1C=C(Br)C=C2C AK172715 [0,1,0,0,1,0|1,1,0]=4 45 B14R2.8045 NC1CCCC2=C1C=C(F)C=C2F AK310634 [0,1,0,0,1,0|1,1,0]=4 46 B14R2.8045 O=C1CCCC2=C1C=C(Cl)C=C2C AK672867 [0,1,0,0,1,0|1,0,1]=4 47 B14R2.68 BrC1=CC=C(C=C1)C2CNCCN2 AK-16311 [0,0,1,1,0,0|1,1,0]=4 48 B14R2.68 CC1=CC=C(C=C1)C2CNCCN2 AK-16313 [0,0,1,1,0,0|2,0,0]=4 49 B14R2.68 ClC1=CC=C(C2CCNCC2)C=C1 AK-41059 [0,0,1,1,0,0|2,0,0]=4 50 B14R2.68 NC1=CC=C(C2CCCCC2)C=C1 AK-92356 [0,0,1,1,0,0|2,0,0]=4 51 B14R2.68 NC1=CC=C(C2CNCCC2)C=C1 AK130508 [0,0,1,1,0,0|1,0,0]=3 52 B14R2.21 ClC1=CC(C2CCNCC2)=CC=C1 AK-29649 [0,0,1,1,0,0|2,0,0]=4 53 B14R2.21 ClC1=CC(C2NCCSC2)=CC=C1 AK-21271 [0,0,1,1,0,0|2,0,0]=4 54 B14R2.21 ClC1=CC=CC(=C1)C2CNCCN2 AK-16323 [0,0,1,1,0,0|1,0,0]=3 55 B14R2.21 OC1=CC=CC(C2CCCCC2)=C1 AK-50984 [0,0,1,1,0,0|2,0,0]=4 56 B14R3.2531 C12CC(CNC1)C3=CC=CC=C23 AK102879 [1,0,0,1,0,0|0,0,0]=2 57 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 AK-74154 [1,0,0,0,1,0|1,1,0]=4 58 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 AK172637 [1,0,0,0,1,0|1,1,0]=4 59 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 AK-30489 [1,0,0,0,1,0|0,1,0]=3 60 B12R2.24 BrC1=CC2=C(CCCC2)C=C1 AK105097 [1,0,0,0,1,0|0,1,0]=3 61 B12R2.24 BrC1=CC2=C(CNCC2)C=C1 AK-30488 [1,0,0,0,1,0|0,1,0]=3 62 B12R2.24 BrC1=CC2=C(NCCC2)C=C1 AK-24972 [1,0,0,0,1,0|1,1,0]=4 63 B12R2.24 BrC1=CC=C2CCOCC2=C1 AK-87302 [1,0,0,0,1,0|1,1,0]=4 64 B12R2.24 BrC1=CC=C2CNCCC2=C1 AK-25184 [1,0,0,0,1,0|0,1,0]=3 65 B12R2.24 C1=C(C=C2C(=C1)CCCN2)O AK-26152 [1,0,0,0,1,0|2,0,0]=4 66 B12R2.24 C1=C(O)C=C2C(=C1)CCCC2 AK-47633 [1,0,0,0,1,0|1,0,0]=3 67 B12R2.24 C1=C(O)C=CC2=C1CCCN2 AK-25789 [1,0,0,0,1,0|2,0,0]=4 68 B12R2.24 C1C2=CC=C(C=C2CCN1)O AK-33289 [1,0,0,0,1,0|1,0,0]=3 69 B12R2.24 CC1=CC2=C(C=C1)CCCN2 AK-44791 [1,0,0,0,1,0|2,0,0]=4 70 B12R2.24 CC1=CC2=C(CCCC2)C=C1 AK-61038 [1,0,0,0,1,0|1,0,0]=3 71 B12R2.24 CC1=CC=C2C(=C1)CNCC2 AK-27238 [1,0,0,0,1,0|1,0,0]=3 72 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 AK545138 [1,0,0,0,1,0|1,0,0]=3 73 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 AK-36483 [1,0,0,0,1,0|0,0,0]=2 74 B12R2.24 ClC1=CC2=C(C=C1)NCCO2 AK-47683 [1,0,0,0,1,0|2,0,0]=4 75 B12R2.24 ClC1=CC2=C(CCCN2)C=C1 AK-64273 [1,0,0,0,1,0|1,0,0]=3 76 B12R2.24 ClC1=CC2=C(CNCC2)C=C1 AK-28677 [1,0,0,0,1,0|0,0,0]=2 77 B12R2.24 ClC1=CC=C2NCCCC2=C1 AK-43157 [1,0,0,0,1,0|1,0,0]=3 78 B12R2.24 ClC1=NC2=C(CCCC2)C=C1 AK100813 [1,0,0,0,1,0|1,0,0]=3 79 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-27507 [1,0,0,0,1,0|1,0,0]=3 80 B12R2.24 ClC1=NC2=C(CNCC2)C=C1 AK-28329 [1,0,0,0,1,0|1,0,0]=3 81 B12R2.24 FC1=CC2=C(NCCC2)C=C1 AK115880 [1,0,0,0,1,0|1,1,0]=4 82 B12R2.24 NC1=CC2=C(C=C1)CCNC2 AK-68791 [1,0,0,0,1,0|1,0,0]=3 83 B12R2.24 NC1=CN=C2CCNCC2=C1 AK-50466 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.24 OC1=CC2=C(CNCC2)C=C1 AK-44277 [1,0,0,0,1,0|1,0,0]=3 85 B12R2.24 OC1=CC2=C(N=C1)CCNC2 AK-27500 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.24 OC1=CC=2CCCOC2C=C1 AK-66832 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.1081 C1=CC=CC2=C1C(=O)NCC2 AK-25321 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.1081 C1=CC=CC2=C1CCNC2C AK-29302 [1,0,0,0,1,0|0,0,0]=2 89 B12R2.1081 CC1C2=CC=CC=C2CCN1 AK-57161 [1,0,0,0,1,0|0,0,0]=2 90 B12R2.1081 CC1CCNC2=C1C=CC=C2 AK139156 [1,0,0,0,1,0|1,0,0]=3 91 B12R2.1081 CC1CNCC2=C1C=CC=C2 AK130522 [1,0,0,0,1,0|0,0,0]=2 92 B12R2.1081 CN1CCNC2=C1C=CC=C2 AK-39613 [1,0,0,0,1,0|2,0,0]=4 93 B12R2.1081 N1=CC=CC2=C1C(CCC2)O AK-25433 [1,0,0,0,1,0|2,0,0]=4 94 B12R2.1081 NC1C2=C(N=CC=C2)CCC1 AK-37645 [1,0,0,0,1,0|2,0,0]=4 95 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-31970 [1,0,0,0,1,0|1,0,0]=3 96 B12R2.1081 NC1CCCC2=C1C=CC=C2 AK-81453 [1,0,0,0,1,0|1,0,0]=3 97 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK-82329 [1,0,0,0,1,0|2,0,0]=4 98 B12R2.1081 NC1CCCC2=C1N=CC=C2 AK145925 [1,0,0,0,1,0|2,0,0]=4 99 B12R2.1081 NC1CCNC2=C1C=CC=C2 AK128627 [1,0,0,0,1,0|2,0,0]=4 100 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-32488 [1,0,0,0,1,0|2,0,0]=4 101 B12R2.1081 NC1CCOC2=C1C=CC=C2 AK-43439 [1,0,0,0,1,0|2,0,0]=4 102 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 AK105266 [1,0,0,0,1,0|1,0,0]=3 103 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 AK-54431 [1,0,0,0,1,0|2,0,0]=4 104 B12R2.1081 O=C1CCCC2=C1C=CC=C2 AK-43970 [1,0,0,0,1,0|1,0,1]=4 105 B12R2.1081 OC1CCCC2=C1C=CC=C2 AK-50542 [1,0,0,0,1,0|1,0,0]=3 106 B12R2.1081 OC1CCNC2=C1C=CC=C2 AK-87029 [1,0,0,0,1,0|2,0,0]=4 107 B12R2.1081 OC1COCC2=C1C=CC=C2 AK-76197 [1,0,0,0,1,0|2,0,0]=4 108 B12R2.1081 [C@H]1(C2=CC=CC=C2CCC1)N AK-34256 [1,0,0,0,1,0|1,0,0]=3 109 B12R2.132 ClC1=CC=C2C(=C1)C(CC2)=O AK-29868 [0,0,0,0,2,0|1,0,1]=4 110 B12R2.132 ClC1=CC=C2[NH]N=C(C2=C1)C AK-24405 [0,0,0,0,2,0|1,0,1]=4 111 B12R2.132 NC1CCC2=C1C=C(Cl)C=C2 AK-36062 [0,0,0,0,2,0|1,0,0]=3 112 B12R2.132 NC1CCC2=C1C=C(F)C=C2 AK164000 [0,0,0,0,2,0|1,1,0]=4 113 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 AK-42229 [0,0,0,0,2,0|1,1,0]=4 114 B12R2.132 N[C@H]1CCC2=C1C=C(F)C=C2 AK-42484 [0,0,0,0,2,0|1,1,0]=4 115 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 AK146224 [0,0,0,0,2,0|1,1,0]=4