0 B18R3.570036 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N A405693 [0,0,0,0,0,0|0,0,0]=0 1 B18R3.570036 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N A426953 [0,0,0,0,0,0|0,0,0]=0 2 B18R3.570036 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N P129626 [0,0,0,0,0,0|0,0,0]=0 3 B18R3.570036 C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N P422222 [0,0,0,0,0,0|0,0,0]=0 4 B18R3.570036 C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2 T304644 [0,0,0,0,0,0|2,0,1]=3 5 B18R3.570036 C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2 R160930 [0,0,0,0,0,0|4,0,0]=4 6 B17R3.3205 C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)Cl C104143 [1,0,0,0,0,0|2,0,1]=4 7 B17R3.3205 C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Br B120349 [1,0,0,0,0,0|2,0,0]=3 8 B17R3.3205 C1=CC=C2C=C3C=C(C=CC3=CC2=C1)Cl C121485 [1,0,0,0,0,0|2,0,0]=3 9 B17R3.3205 C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N A151442 [1,0,0,0,0,0|1,0,0]=2 10 B17R3.3205 C1=CC=C2C=C3C=C(C=CC3=CC2=C1)O H348809 [1,0,0,0,0,0|2,0,0]=3 11 B19R3.168595 C1=CC2=C(C=C1O)OC3=C(C2=O)C=CC(=C3)O D404377 [0,1,0,0,0,0|3,0,0]=4 12 B19R3.2152927 C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N A103028 [0,1,0,0,0,0|0,0,1]=2 13 B17R2.465 C1=CC(=CC=C1OC2=C(C=C(C=C2)N)Cl)Cl W132859 [0,0,1,0,0,0|3,0,0]=4 14 B17R2.465 C1=CC(=CC=C1OC2=C(C=C(C=C2)N)Cl)F C590794 [0,0,1,0,0,0|3,0,0]=4 15 B17R3.30284 C1=CC2=C(C=C1Br)NC3=C2C=CC(=C3)Br D123548 [0,0,0,0,1,0|2,0,1]=4 16 B17R3.30284 C1=CC2=C(C=C1Br)SC3=C2C=CC(=C3)Br D155657 [0,0,0,0,1,0|3,0,0]=4 17 B17R3.30284 C1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br D105395 [0,0,0,0,1,0|3,0,0]=4 18 B17R3.30284 C1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)I B152215 [0,0,0,0,1,0|3,0,0]=4 19 B17R3.30284 C1C2=C(C=CC(=C2)Cl)C3=C1C=C(C=C3)Cl D137681 [0,0,0,0,1,0|3,0,0]=4 20 B17R3.30284 C1C2=C(C=CC(=C2)I)C3=C1C=C(C=C3)I D123370 [0,0,0,0,1,0|3,0,0]=4 21 B17R3.30284 C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)Br A466891 [0,0,0,0,1,0|2,0,0]=3 22 B17R3.30284 C1C2=C(C=CC(=C2)N)C3=C1C=C(C=C3)N D124662 [0,0,0,0,1,0|1,0,0]=2 23 B17R3.30284 CC1=CC2=C(C=C1)C3=C(N2)C=C(C=C3)C D191793 [0,0,0,0,1,0|2,0,1]=4 24 B17R3.31627 C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br D101983 [0,0,0,0,1,0|3,0,0]=4 25 B17R3.31627 C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)Br D131685 [0,0,0,0,1,0|3,0,0]=4 26 B17R3.31627 C1=CC2=C(C=C1Br)C3=C(O2)C=CC(=C3)I B152997 [0,0,0,0,1,0|3,0,0]=4 27 B17R3.31627 C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)Br D121518 [0,0,0,0,1,0|3,0,0]=4 28 B17R3.31627 C1=CC2=C(C=C1Br)C3=C(S2)C=CC(=C3)I B152946 [0,0,0,0,1,0|3,0,0]=4 29 B17R3.31627 C1=CC2=C(C=C1Cl)C3=C(N2)C=CC(=C3)Cl D154466 [0,0,0,0,1,0|3,0,0]=4 30 B17R3.31627 C1=CC2=C(C=C1I)C3=C(N2)C=CC(=C3)I D154443 [0,0,0,0,1,0|3,0,0]=4 31 B17R3.31627 C1=CC2=C(C=C1I)C3=C(O2)C=CC(=C3)I D155742 [0,0,0,0,1,0|3,0,0]=4 32 B17R3.31627 C1=CC2=C(C=C1I)C3=C(S2)C=CC(=C3)I D155665 [0,0,0,0,1,0|3,0,0]=4 33 B17R3.31627 C1=CC2=C(C=C1N)C3=C(N2)C=CC(=C3)N D121517 [0,0,0,0,1,0|1,0,0]=2 34 B17R3.31627 CC1=CC2=C(C=C1)NC3=C2C=C(C=C3)C D154452 [0,0,0,0,1,0|3,0,0]=4 35 B16R2.33 C1=CC(=CC=C1CC2=CC=C(C=C2)N)N D108778 [1,0,1,0,0,0|0,0,1]=3 36 B16R2.33 C1=CC(=CC=C1CC2=CC=C(C=C2)N)N D108779 [1,0,1,0,0,0|0,0,1]=3 37 B16R2.33 C1=CC(=CC=C1CC2=CC=C(C=C2)N)N D108780 [1,0,1,0,0,0|0,0,1]=3 38 B16R2.33 C1=CC(=CC=C1CC2=CC=C(C=C2)N)N D108781 [1,0,1,0,0,0|0,0,1]=3 39 B16R2.33 C1=CC(=CC=C1CC2=CC=C(C=C2)N)N D141212 [1,0,1,0,0,0|0,0,1]=3 40 B16R2.33 C1=CC(=CC=C1N)NC2=CC=C(C=C2)N D154677 [1,0,1,0,0,0|1,0,0]=3 41 B16R2.33 C1=CC(=CC=C1N)OC2=CC=C(C=C2)Cl A151417 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.33 C1=CC(=CC=C1N)OC2=CC=C(C=C2)N D104463 [1,0,1,0,0,0|1,0,0]=3 43 B16R2.33 C1=CC(=CC=C1N)OC2=CC=C(C=C2)N D104464 [1,0,1,0,0,0|1,0,0]=3 44 B16R2.33 C1=CC(=CC=C1N)SC2=CC=C(C=C2)N D101165 [1,0,1,0,0,0|1,0,0]=3 45 B16R2.33 C1=CC(=CC=C1N)SC2=CC=C(C=C2)N D101166 [1,0,1,0,0,0|1,0,0]=3 46 B16R2.33 CC1=CC=C(C=C1)OC2=CC=C(C=C2)N A151439 [1,0,1,0,0,0|2,0,0]=4 47 B16R2.312 C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N D154777 [1,0,1,0,0,0|1,0,1]=4 48 B16R2.312 C1=CC=C(C=C1)OC2=C(C=C(C=C2)N)Cl C589385 [1,0,1,0,0,0|2,0,0]=4 49 B16R2.1129 C1=CC=C(C(=C1)CC2=CC=C(C=C2)N)N A190082 [1,0,1,0,0,0|0,0,2]=4 50 B16R2.1129 C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)F F588652 [1,0,1,0,0,0|2,0,0]=4 51 B16R2.251 C1=CC(=CC(=C1)N)CC2=CC(=CC=C2)N D132695 [1,0,1,0,0,0|1,0,0]=3 52 B16R2.251 C1=CC(=CC(=C1)OC2=CC=CC(=C2)N)N O404839 [1,0,1,0,0,0|1,0,0]=3 53 B16R3.1720 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 A106024 [2,0,0,0,0,0|0,0,0]=2 54 B16R3.1720 C1=CC=C2C(=C1)C=C3C=CC=CC3=N2 A109213 [2,0,0,0,0,0|0,0,0]=2 55 B16R3.1720 C1=CC=C2C(=C1)N=C3C=CC=CC3=N2 P104715 [2,0,0,0,0,0|1,0,0]=3 56 B16R3.1720 C1=CC=C2C(=C1)NC3=CC=CC=C3N2 D589653 [2,0,0,0,0,0|1,0,1]=4 57 B16R3.1720 C1=CC=C2C(=C1)NC3=CC=CC=C3O2 P100418 [2,0,0,0,0,0|1,0,1]=4 58 B16R3.1720 C1=CC=C2C(=C1)NC3=CC=CC=C3S2 P108681 [2,0,0,0,0,0|1,0,1]=4 59 B16R3.1720 C1=CC=C2C(=C1)NC3=CC=CC=C3S2 P108682 [2,0,0,0,0,0|1,0,1]=4 60 B16R3.1720 C1=CC=C2C(=C1)OC3=CC=CC=C3O2 D154544 [2,0,0,0,0,0|2,0,0]=4 61 B16R3.1720 C1=CC=C2C(=C1)OC3=CC=CC=C3S2 P160095 [2,0,0,0,0,0|2,0,0]=4 62 B16R3.1720 C1=CC=C2C(=C1)SC3=CC=CC=C3S2 T101325 [2,0,0,0,0,0|2,0,0]=4 63 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A108699 [2,0,0,0,0,0|1,0,0]=3 64 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A108700 [2,0,0,0,0,0|1,0,0]=3 65 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A108701 [2,0,0,0,0,0|1,0,0]=3 66 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A108702 [2,0,0,0,0,0|1,0,0]=3 67 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A108703 [2,0,0,0,0,0|1,0,0]=3 68 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A119534 [2,0,0,0,0,0|1,0,0]=3 69 B16R3.1720 C1=CC=C2C=C3C=CC=CC3=CC2=C1 A305166 [2,0,0,0,0,0|1,0,0]=3 70 B16R3.1720 C1C2=CC=CC=C2CC3=CC=CC=C31 D155012 [2,0,0,0,0,0|1,0,1]=4 71 B16R3.1720 C1C2=CC=CC=C2NC3=CC=CC=C31 D156017 [2,0,0,0,0,0|0,0,2]=4 72 B16R3.1720 C1C2=CC=CC=C2OC3=CC=CC=C31 X109747 [2,0,0,0,0,0|1,0,1]=4 73 B16R3.1720 c1ccc2cc3ccccc3cc2c1 A140630 [2,0,0,0,0,0|1,0,0]=3 74 B18R2.66989 C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O B340458 [0,1,1,0,0,0|2,0,0]=4 75 B18R3.1464 C1=CC=C2C=C3C=C(C=CC3=CC2=C1)CO H156854 [1,1,0,0,0,0|2,0,0]=4 76 B18R3.1464 CCC1=CC2=CC3=CC=CC=C3C=C2C=C1 E170773 [1,1,0,0,0,0|2,0,0]=4 77 B18R3.3608 C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)N)N D139150 [1,1,0,0,0,0|1,0,0]=3 78 B18R3.3608 C1=CC=C2C(=C1)N=C3C=C(C(=CC3=N2)O)N A193486 [1,1,0,0,0,0|1,0,0]=3 79 B18R3.3608 CC1=CC2=CC3=CC=CC=C3C=C2C=C1C D155098 [1,1,0,0,0,0|2,0,0]=4 80 B18R3.99697 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Br B405461 [1,1,0,0,0,0|2,0,0]=4 81 B18R3.99697 C1=CC=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)O H117680 [1,1,0,0,0,0|2,0,0]=4 82 B18R3.567779 C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)N)N A303767 [1,1,0,0,0,0|1,0,0]=3 83 B18R3.567779 C1=CC(=CC2=CC3=C(C=C21)C=C(C=C3)O)O D155099 [1,1,0,0,0,0|2,0,0]=4 84 B18R3.99149 C1=CC2=C(C=C1Br)C3=C(C2=O)C=CC(=C3)Br D290536 [0,1,0,0,1,0|2,0,0]=4 85 B20R3.19129637 CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N A121934 [0,2,0,0,0,0|0,0,0]=2 86 B16R3.2583 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br B118428 [1,0,0,0,1,0|2,0,0]=4 87 B16R3.2583 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)Br B395761 [1,0,0,0,1,0|2,0,0]=4 88 B16R3.2583 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)F F156590 [1,0,0,0,1,0|2,0,0]=4 89 B16R3.2583 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)I I157687 [1,0,0,0,1,0|2,0,0]=4 90 B16R3.2583 C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)O H331392 [1,0,0,0,1,0|2,0,0]=4 91 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br B134874 [1,0,0,0,1,0|2,0,0]=4 92 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br B398413 [1,0,0,0,1,0|2,0,0]=4 93 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)I I157474 [1,0,0,0,1,0|2,0,0]=4 94 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)N A356417 [1,0,0,0,1,0|1,0,0]=3 95 B16R3.2583 C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)O H398481 [1,0,0,0,1,0|2,0,0]=4 96 B16R3.2583 C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br B121514 [1,0,0,0,1,0|2,0,0]=4 97 B16R3.2583 C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)Br B398441 [1,0,0,0,1,0|2,0,0]=4 98 B16R3.2583 C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)I I157491 [1,0,0,0,1,0|2,0,0]=4 99 B16R3.2583 C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)N D404272 [1,0,0,0,1,0|1,0,0]=3 100 B16R3.2583 C1=CC=C2C(=C1)C3=CC(=NC=C3N2)N A151563 [1,0,0,0,1,0|2,0,0]=4 101 B16R3.2583 CC1=CC2=C(C=C1)NC3=CC=CC=C32 M158783 [1,0,0,0,1,0|2,0,0]=4 102 B16R3.2637 C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)Br B152010 [1,0,0,0,1,0|1,0,1]=4 103 B16R3.2637 C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)Cl C153921 [1,0,0,0,1,0|1,0,1]=4 104 B16R3.2637 C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)F F303627 [1,0,0,0,1,0|1,0,1]=4 105 B16R3.2637 C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)O H359431 [1,0,0,0,1,0|1,0,1]=4 106 B16R3.2637 C1=CC=C2C(=C1)C3=C(N2)N=C(C=C3)N A169118 [1,0,0,0,1,0|1,0,1]=4 107 B16R3.2637 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)Br B152999 [1,0,0,0,1,0|2,0,0]=4 108 B16R3.2637 C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)N D184410 [1,0,0,0,1,0|1,0,0]=3 109 B16R3.2637 C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)Br B405266 [1,0,0,0,1,0|2,0,0]=4 110 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)Br B107656 [1,0,0,0,1,0|2,0,0]=4 111 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)F F156609 [1,0,0,0,1,0|2,0,0]=4 112 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)I I123288 [1,0,0,0,1,0|2,0,0]=4 113 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)I I298606 [1,0,0,0,1,0|2,0,0]=4 114 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)N A103032 [1,0,0,0,1,0|1,0,0]=3 115 B16R3.2637 C1C2=CC=CC=C2C3=C1C=C(C=C3)O H137128 [1,0,0,0,1,0|2,0,0]=4 116 B18R3.32851 CC1=CC2=C(C=C1)C=CC3=C2C=C(C=C3)C D155049 [0,0,0,0,1,1|2,0,0]=4