0 B6R0.1 CCC(C)CCN 4015078 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.1 CCCC(=O)NN 3002586 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCCC(N)CC 4028240 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCCC(N)CC 4088911 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCC\C(N)=N\O 4030621 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCC\C(N)=N\O 4089955 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.1 CCNC(=O)CBr 4023688 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCNC(C)CC 4024881 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCNC(C)CC 4089770 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CCNC(C)CO 4027506 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 CCOC(C)CN 4029821 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CNC(=O)CCCl 4027989 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 CNC(=O)CCO 4035059 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 CNCC(=O)NC 4033340 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 COC(=O)CCO 4041011 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.3 CC[C@@H](O)CN 4036900 [1,0,0,0,0,0|1,0,2]=4 18 B5R0.3 CC\C(N)=N\O 4030035 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.3 CC\C(N)=N\O 4089717 [1,0,0,0,0,0|3,0,0]=4 20 B5R0.3 CNC(=O)CBr 4023689 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.3 CNC(=O)CCl 4031514 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.3 CNC(=O)CN 4030580 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.3 CNC(=O)CO 4032781 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.3 COC(C)CN 4031070 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.3 COC(C)CO 4045600 [1,0,0,0,0,0|2,0,1]=4 26 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,0|3,0,0]=4 27 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|2,0,0]=3 29 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.2 CC(O)CC(=O)NN 3015526 [0,1,0,0,0,0|3,0,0]=4 32 B7R0.3 CCC(=O)NCCN 4110359 [0,1,0,0,0,0|1,0,0]=2 33 B7R0.3 CCCOC(C)CN 4031060 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.3 CCN(C)CCCCl 4032711 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.3 CCN(C)CCCCl 4090852 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.3 CCN(C)CCCO 4027001 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.3 CCOCC(=O)NN 4024074 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.3 CCOCC(=O)NN 4089996 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.3 CCOCC(O)CN 4001724 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 CNC(=O)CCCN 4030090 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.3 CNCCC(=O)NC 4030744 [0,1,0,0,0,0|2,0,0]=3 42 B7R0.5 CCNC(=O)C(C)Cl 4028638 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.5 CN(C)C(=O)CCCl 4027165 [0,1,0,0,0,0|3,0,0]=4 44 B7R0.5 CN(C)C(=O)CCN 4033580 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.5 CN(C)C(=O)CCO 4035245 [0,1,0,0,0,0|3,0,0]=4 46 B7R0.7 CCCC(C)NCC 4024861 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.7 CCNC(=O)CCCl 4027744 [0,1,0,0,0,0|1,0,0]=2 48 B7R0.7 CCNC(C)CCO 4027124 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.7 CCOC(=O)CCO 4040900 [0,1,0,0,0,0|0,0,0]=1 50 B7R0.7 CCOC(C)CNC 4030660 [0,1,0,0,0,0|1,0,1]=3 51 B7R0.10 CCC(C)C(=O)NN 4031480 [0,1,0,0,0,0|3,0,0]=4 52 B7R0.10 CCC(N)C(=O)NC 4033837 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.10 CCC(N)C(=O)NO 4045655 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.10 CCN(C)C(=O)CCl 4027839 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.10 CNC(=O)C(C)CN 4035379 [0,1,0,0,0,0|3,0,0]=4 56 B7R0.10 CNC(=O)C(C)NC 4034384 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.10 CNC(C)C(=O)OC 4044238 [0,1,0,0,0,0|3,0,0]=4 58 B7R0.10 COC(=O)C(C)CN 4052567 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.11 CCS(=O)(=O)CCN 4033794 [0,1,0,0,0,0|3,0,0]=4 60 B7R0.12 CCOC(CC)CN 4031082 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.12 CCOC(CC)CN 4091080 [0,1,0,0,0,0|1,0,1]=3 62 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|2,0,0]=3 63 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|1,0,0]=2 64 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.3 CC1=CCNCC1 4036573 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.3 CC1CNCCO1 4019021 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.3 C[C@H]1CNCCO1 4038541 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 O=C1CCCSC1 4021743 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.3 O=C1CNCCN1 4102110 [0,0,0,1,0,0|2,0,0]=3 70 B7R1.3 O=C1NCCCO1 4035958 [0,0,0,1,0,0|1,0,0]=2 71 B7R1.4 NC1CCNC1=O 4110613 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.21 CCCC1(N)CC1 4021536 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.22 CCC(N)C1CC1 4044918 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.22 NNC(=O)C1CC1 3014982 [0,0,0,1,0,0|3,0,0]=4 75 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 76 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|2,0,0]=4 79 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|2,0,0]=4 80 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|2,0,0]=4 81 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|2,0,0]=4 84 B6R0.6 CCCSCCN 4033597 [1,1,0,0,0,0|0,1,1]=4 85 B6R0.6 CCCSCCN 4089004 [1,1,0,0,0,0|0,1,1]=4 86 B6R0.6 CCOCCNC 4030249 [1,1,0,0,0,0|0,0,1]=3 87 B6R0.8 CCC(C)(N)CC 4035688 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.9 CCC(CC)CN 4034714 [1,1,0,0,0,0|1,0,1]=4 89 B6R0.9 CCC(CC)NC 4027066 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.9 CCC(CC)NC 4090629 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.9 CCC(CN)OC 4031411 [1,1,0,0,0,0|1,0,1]=4 92 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,2,0,0,0,0|2,0,0]=4 93 B8R0.2 CCC(Br)C(=O)N(C)C 4045008 [0,2,0,0,0,0|2,0,0]=4 94 B8R0.2 CCC(N)C(=O)N(C)C 4032154 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.2 CCN(C)C(=O)C(C)Br 4028266 [0,2,0,0,0,0|1,0,0]=3 96 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,2,0,0,0,0|1,0,0]=3 97 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|1,0,1]=4 98 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(C)NC(=O)C(C)Cl 4029320 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.1 C=CCNC(=O)CCCl 4027154 [0,2,0,0,0,0|1,0,1]=4 107 B8R0.3 CCCC(N)C(=O)NC 4042706 [0,2,0,0,0,0|2,0,0]=4 108 B8R0.3 CCC[C@@H](N)C(=O)OC 4107426 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.3 CCOC(=O)C(=O)CC 4013605 [0,2,0,0,0,0|0,0,0]=2 110 B8R0.3 CCOC(C)C(=O)NN 4024077 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.3 CCOC(C)C(=O)NN 4090202 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.3 COC(=O)[C@@H](N)CSC 4029499 [0,2,0,0,0,0|2,0,0]=4 113 B8R0.8 C=CCNC(=O)C(C)Cl 4027134 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.8 CC(C)C(=O)NCCN 4027734 [0,2,0,0,0,0|1,0,0]=3 115 B8R0.8 CCCNC(=O)C(C)Cl 4027198 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.8 CN(C)C(=O)CCCN 4034672 [0,2,0,0,0,0|2,0,0]=4 117 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,2,0,0,0,0|1,0,1]=4 119 B8R0.25 CCS(=O)(=O)CCNC 4039868 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.20 CCC(NC)C(=O)OC 4043991 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.20 CCN(CC)C(=O)CBr 4023672 [0,2,0,0,0,0|2,0,0]=4 122 B6R1.1 C1CCONC1 4013260 [1,0,0,1,0,0|1,0,0]=3 123 B6R1.7 CCC1(N)CC1 4021535 [1,0,0,1,0,0|1,0,1]=4 124 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.1 NCC1CNC(=O)C1 4002894 [0,1,0,1,0,0|2,0,0]=4 127 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,1,0,1,0,0|2,0,0]=4 128 B8R1.1 O=C1CC(CO)CN1 4108826 [0,1,0,1,0,0|2,0,0]=4 129 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|0,0,0]=2 130 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.18 CC1=C(C)OC(=O)N1 4044048 [0,1,0,1,0,0|0,0,2]=4 137 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,1,0,1,0,0|2,0,0]=4 142 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,1,0,1,0,0|2,0,0]=4 144 B8R1.2 CCC1CNCCO1 4018983 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.2 CCC1COCCN1 4021665 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.2 CCC1COCCN1 4087890 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.2 NCC1=CCCCC1 4019756 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.2 NCC1CCCCO1 4087791 [0,1,0,1,0,0|1,0,1]=4 149 B8R1.2 O=CC1=COCCO1 4016981 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,1,0,1,0,0|1,0,1]=4 151 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.3 O=C1CCC(O)CC1 4029093 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.3 O=C1NCC(O)CN1 4044966 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.5 CC1NCCNC1=O 4028234 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.5 CC1OCCNC1=O 4045691 [0,1,0,1,0,0|1,0,0]=3 157 B8R1.5 CC1SCCNC1=O 4044376 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.5 CN1CCCNC1=O 4035075 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.5 CN1CCNCC1=O 4102111 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.5 NC1CCCNC1=O 4002400 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.22 O=C1CCNCCN1 4131005 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.22 O=C1CCSCCN1 4036022 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.22 O=C1CNCCCN1 4015468 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.22 O=C1CSCCSC1 4004797 [0,1,0,1,0,0|1,1,0]=4 165 B8R1.50 CC1=NNC(=O)C1C 4042832 [0,1,0,1,0,0|1,0,1]=4 166 B8R1.50 CN1CCC(Br)C1=O 4045629 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.50 CN1CCC(N)C1=O 4019955 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.19 CC1(C)CCNC1=O 4035085 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.8 CCOC1CCNC1 4041020 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.8 CNCC1CCCO1 4018249 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.11 CCC1CCNC1=O 4035898 [0,1,0,1,0,0|1,0,0]=3