0 B6R0.3 CC(C)C(=O)NN 3015435 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC(C)C(O)CN 4038941 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 CC(C)\C(N)=N\O 4031815 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CC(O)C(=N)NO 4041720 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.3 CN(C)C(=O)CN 4029380 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.3 CN(C)C(=O)CO 4033769 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CNC(=O)C(C)Cl 4026929 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.3 CNC(=O)C(C)N 4033710 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.3 CNC(C)C(C)C 4027192 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|3,0,0]=4 13 B5R0.3 CNC(=O)CBr 4023689 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.3 CNC(=O)CCl 4031514 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.3 CNC(=O)CN 4030580 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.3 CNC(=O)CO 4032781 [1,0,0,0,0,0|2,0,0]=3 17 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.5 CC(C)C(=N)N 4034735 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.5 CC(C)C(=N)N 4088764 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.5 CC(O)C(=N)N 4048497 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.5 CC(C)N(C)CCN 4025252 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.5 CN(C)C(=O)CCN 4033580 [0,1,0,0,0,0|2,0,0]=3 26 B7R0.5 CN(C)C(=O)CCO 4035245 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.10 CCC(C)\C(N)=N\O 4043559 [0,1,0,0,0,0|3,0,0]=4 29 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|3,0,0]=4 31 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.10 CCN(C)C(C)CO 4027973 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.10 CNC(=O)C(C)CN 4035379 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.10 CNC(=O)C(C)NC 4034384 [0,1,0,0,0,0|1,0,0]=2 35 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,0,0,0,0|0,0,0]=1 36 B7R0.10 COC(=O)C(=O)NN 4035403 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.10 COC(=O)C(C)CN 4052567 [0,1,0,0,0,0|0,0,0]=1 38 B7R0.10 COC(C)C(=O)NN 4024075 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.10 COC(C)\C(N)=N/O 4045625 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.14 CC(C)(C)C(=O)CN 4030730 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.14 CNC(=O)C(C)(C)N 4033252 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.14 CNC(C)C(C)(C)C 4028680 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.15 CNC(CO)C(C)C 4044773 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.16 CC(Br)C(=O)N(C)C 4027414 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.16 CC(N)C(=O)N(C)C 4033000 [0,1,0,0,0,0|2,0,0]=3 48 B7R0.16 CC(N)C(=O)N(C)C 4088550 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.16 CC(O)C(=O)N(C)C 4035486 [0,1,0,0,0,0|2,0,0]=3 50 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.19 CC(C)C1(N)CC1 4028147 [0,0,0,1,0,0|2,0,1]=4 52 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|2,0,1]=4 53 B7R1.22 NNC(=O)C1CC1 3014982 [0,0,0,1,0,0|2,0,0]=3 54 B7R0.2 CC(C)CC(=O)NN 3014977 [0,0,0,0,0,1|2,0,0]=3 55 B7R0.2 CC(C)CC(=O)NN 4032888 [0,0,0,0,0,1|2,0,0]=3 56 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,0,0,0,0,1|2,0,0]=3 57 B7R0.2 CC(C)NC(=O)CN 4030242 [0,0,0,0,0,1|2,0,0]=3 58 B7R0.2 CC(C)NC(=O)CN 4091078 [0,0,0,0,0,1|2,0,0]=3 59 B7R0.2 CC(O)CC(=O)NN 3015526 [0,0,0,0,0,1|3,0,0]=4 60 B7R0.2 CNC(C)CC(C)C 4027376 [0,0,0,0,0,1|2,0,1]=4 61 B7R0.2 CNC(C)CC(C)C 4089905 [0,0,0,0,0,1|2,0,1]=4 62 B7R0.2 COC(=O)CC(=N)N 4042869 [0,0,0,0,0,1|2,0,1]=4 63 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.1 CCNC(C)CC 4024881 [1,1,0,0,0,0|2,0,0]=4 68 B6R0.1 CCNC(C)CC 4089770 [1,1,0,0,0,0|2,0,0]=4 69 B6R0.1 CCNC(C)CO 4027506 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.1 CCOC(C)CN 4029821 [1,1,0,0,0,0|2,0,0]=4 71 B6R0.1 CNCC(C)OC 4031677 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.1 COCC(N)CO 4030437 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.1 COCC(O)CN 4001723 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|2,0,0]=4 75 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|0,0,1]=3 79 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.7 CC(C)(C)C(=N)N 4034719 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.7 CC(C)(N)C(N)=O 4029572 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.7 CC(C)C(C)(C)N 4045550 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.7 CC(N)C(C)(C)O 4035420 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,1,0,0,0,1|2,0,0]=4 85 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,1,0,0,0,1|1,0,0]=3 86 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,1,0,0,0,1|1,0,1]=4 87 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,1,0,0,0,1|2,0,0]=4 88 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,1,0,0,0,1|1,0,0]=3 89 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,1,0,0,0,1|1,0,0]=3 90 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,1|2,0,0]=4 91 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [0,1,0,0,0,1|1,0,0]=3 92 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [0,1,0,0,0,1|2,0,0]=4 93 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [0,1,0,0,0,1|2,0,0]=4 94 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [0,1,0,0,0,1|2,0,0]=4 95 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|1,0,0]=3 101 B8R0.8 C=CCNC(=O)C(C)Cl 4027134 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.12 CC(C)S(=O)(=O)CCN 4041085 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.12 CC(C)S(=O)(=O)CCO 4039720 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.13 CNC(=O)C(C)(C)CCl 4028260 [0,2,0,0,0,0|1,0,0]=3 108 B8R0.13 CNC(=O)C(C)(C)NC 4034492 [0,2,0,0,0,0|1,0,0]=3 109 B8R0.13 CNC(=O)C(C)(C)NC 4089260 [0,2,0,0,0,0|1,0,0]=3 110 B8R0.20 CCC(NC)C(=O)OC 4043991 [0,2,0,0,0,0|0,0,0]=2 111 B8R0.20 CCC(OC)C(=O)NN 4024078 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.20 CCC(OC)C(=O)NN 4089867 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.27 CN(C)C(=O)C(C)(C)N 4033978 [0,2,0,0,0,0|1,0,0]=3 114 B6R1.2 CC1CNOC1 4040895 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 CC1CCCC(=O)N1 4027532 [0,0,0,1,0,1|1,0,0]=3 119 B8R1.4 CC1COCC(=O)N1 4028237 [0,0,0,1,0,1|2,0,0]=4 120 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,0,0,1,0,1|2,0,0]=4 121 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,0,0,1,0,1|2,0,0]=4 122 B8R1.18 CN1CC(N)CC1=O 4014078 [0,0,0,1,0,1|2,0,0]=4 123 B8R1.40 NCC(=O)NC1CC1 4031002 [0,0,0,1,0,1|2,0,0]=4 124 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,0,0,1,0,1|2,0,0]=4 125 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,1|1,0,0]=3 126 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,1|1,0,0]=3 127 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,1|0,0,0]=2 128 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,1|0,0,0]=2 129 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.19 CC1(C)CCNC1=O 4035085 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.38 NNC(=O)C1CCC1 4032586 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|2,0,0]=4 141 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,0,0,0,0,2|2,0,0]=4