0 B6R0.2 CC(C)CC(=N)N 4012906 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 NC(=O)CC(=O)O 4027194 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C#CCC(=O)O 4035749 [1,0,0,0,0,0|1,0,2]=4 3 B5R0.1 C=C(C)CNN 4045392 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CC(C)N=[N+]=[N-] 4041293 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC(N)CCO 4027026 [1,0,0,0,0,0|1,0,2]=4 6 B5R0.1 CC(O)CNN 4028962 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 CNCC(C)O 4035012 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 COCC(=N)N 4018503 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 NC(=O)CCO 4070037 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.1 NCCC(N)=O 4034723 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)CC(=O)NN 3014977 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.2 CC(C)CC(=O)NN 4032888 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.2 CC(C)NC(=O)CBr 4023681 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.2 CC(C)NC(=O)CN 4030242 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.2 CC(C)NC(=O)CN 4091078 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.2 CC(CN)CN(C)C 4027503 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.2 CC(CO)CN(C)C 4027873 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.2 CC(O)CC(=O)NN 3015526 [0,1,0,0,0,0|2,0,0]=3 19 B7R0.2 CCC(C)CC(=N)N 4012909 [0,1,0,0,0,0|2,0,0]=3 20 B7R0.2 CCC(C)CC(=N)N 4088237 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.2 CCC(C)CC(C)=O 4031282 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.2 CCC(N)CN(C)C 4026183 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 CCN(C)CC(=O)O 4026801 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.2 CCN(C)CC(C)=O 4028374 [0,1,0,0,0,0|1,0,0]=2 25 B7R0.2 CCN(C)CC(C)=O 4088950 [0,1,0,0,0,0|1,0,0]=2 26 B7R0.2 CN(C)CC(O)CN 4030423 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.2 CN(C)C\C(N)=N\O 4033703 [0,1,0,0,0,0|2,0,1]=4 28 B7R0.2 CNC(=O)CC(=N)N 4043145 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CNC(=O)CC(=O)O 4027258 [0,1,0,0,0,0|2,0,1]=4 30 B7R0.2 CNC(C)CC(=O)O 4035495 [0,1,0,0,0,0|1,0,0]=2 31 B7R0.2 CNC(C)CC(C)C 4027376 [0,1,0,0,0,0|1,0,1]=3 32 B7R0.2 CNC(C)CC(C)C 4089905 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.2 CNC(C)CC(N)=O 4043924 [0,1,0,0,0,0|1,0,0]=2 34 B7R0.2 COC(=O)CC(=N)N 4042869 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.9 CC(=O)CC(F)(F)F 4034729 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.9 CC(C)CC(C)(C)N 4043228 [0,1,0,0,0,0|1,0,1]=3 37 B7R0.9 CN(C)CC(C)(C)N 4035812 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.16 CC(=O)C(=O)N(C)C 4051999 [0,1,0,0,0,0|1,0,1]=3 39 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.16 CC(C)C(N)C(C)C 4035462 [0,1,0,0,0,0|1,0,1]=3 41 B7R1.2 CC1CNC(=O)C1 4026755 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.2 CC1CNC(=O)O1 4043936 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.2 CC1COC(=O)N1 4045335 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.2 CN1CCC(N)C1 4035974 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.2 N[C@@H]1CC[C@H](O)C1 4037758 [0,0,0,1,0,0|1,0,2]=4 46 B7R1.20 CC(=O)CC1CC1 4002838 [0,0,0,1,0,0|0,0,0]=1 47 B7R1.20 N=C(N)NC1CC1 4032912 [0,0,0,1,0,0|3,0,0]=4 48 B5R0.5 CC(C)C(=N)N 4034735 [0,0,0,0,1,0|2,0,0]=3 49 B5R0.5 CC(C)C(=N)N 4088764 [0,0,0,0,1,0|2,0,0]=3 50 B5R0.5 CC(O)C(=N)N 4048497 [0,0,0,0,1,0|3,0,0]=4 51 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,1|1,0,0]=2 52 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,1|1,0,0]=2 53 B7R0.6 CC(C)CCC(=N)N 4012910 [0,0,0,0,0,1|2,0,0]=3 54 B7R0.6 CC(C)CCC(=N)N 4091144 [0,0,0,0,0,1|2,0,0]=3 55 B7R0.6 CC(C)CNC(C)C 4028720 [0,0,0,0,0,1|1,0,1]=3 56 B7R0.6 CC(C)CNC(C)C 4090247 [0,0,0,0,0,1|1,0,1]=3 57 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,1|1,0,0]=2 58 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,1|1,0,0]=2 59 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,1|1,0,0]=2 60 B7R0.6 CN(C)CCC(=N)N 4033502 [0,0,0,0,0,1|3,0,0]=4 61 B4R0.1 CC(=O)CN 4035253 [2,0,0,0,0,0|1,0,0]=3 62 B4R0.1 CC(C)NN 4032832 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 CCC(=N)N 4012617 [2,0,0,0,0,0|2,0,0]=4 64 B4R0.1 CCC(=N)N 4090083 [2,0,0,0,0,0|2,0,0]=4 65 B4R0.2 CCCNN 4085300 [2,0,0,0,0,0|2,0,0]=4 66 B6R0.1 C=CCC(O)CN 4080175 [1,1,0,0,0,0|1,0,1]=4 67 B6R0.1 CCC(C)CCN 4015078 [1,1,0,0,0,0|1,0,1]=4 68 B6R0.1 CCCC(=O)NN 3002586 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.1 CCCC(N)CC 4028240 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.1 CCCC(N)CC 4088911 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.1 CCC\C(N)=N\O 4030621 [1,1,0,0,0,0|1,0,1]=4 72 B6R0.1 CCC\C(N)=N\O 4089955 [1,1,0,0,0,0|1,0,1]=4 73 B6R0.1 CCNC(=O)CBr 4023688 [1,1,0,0,0,0|1,0,0]=3 74 B6R0.1 CCNC(C)CC 4024881 [1,1,0,0,0,0|1,0,1]=4 75 B6R0.1 CCNC(C)CC 4089770 [1,1,0,0,0,0|1,0,1]=4 76 B6R0.1 CCNC(C)CO 4027506 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.1 CCOC(C)CN 4029821 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.1 CNC(=O)CCCl 4027989 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.1 CNC(=O)CCO 4035059 [1,1,0,0,0,0|1,0,0]=3 80 B6R0.1 CNC(C)CCO 4027121 [1,1,0,0,0,0|0,0,2]=4 81 B6R0.1 CNCC(=O)NC 4033340 [1,1,0,0,0,0|1,0,0]=3 82 B6R0.1 CNCC(C)OC 4031677 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.1 COC(=O)CCO 4041011 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.1 COC(C)CCN 4043534 [1,1,0,0,0,0|1,0,1]=4 85 B6R0.1 COCC(N)CO 4030437 [1,1,0,0,0,0|2,0,0]=4 86 B6R0.1 COCC(O)CN 4001723 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 CC(C)C(O)CN 4038941 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.3 CNC(C)C(C)C 4027192 [1,1,0,0,0,0|1,0,0]=3 89 B6R0.3 CNC(C)C(N)=O 4031071 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.3 COC(C)C(=O)O 4020866 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.3 CSC(C)C(=O)O 4034068 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.4 C=CCNC(C)C 4026873 [1,1,0,0,0,0|0,0,1]=3 93 B6R0.4 C=CCNC(C)C 4090944 [1,1,0,0,0,0|0,0,1]=3 94 B6R0.4 CC(C)SCCN 4012669 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.4 CC(C)SCCN 4089980 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCCC(=N)N 4012905 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.4 CCOCC(=N)N 4018504 [1,1,0,0,0,0|2,0,0]=4 98 B6R0.4 CCOCC(=N)N 4088124 [1,1,0,0,0,0|2,0,0]=4 99 B6R0.4 CNCCC(=O)O 4036102 [1,1,0,0,0,0|1,0,0]=3 100 B6R0.4 CNCCC(N)=O 4029061 [1,1,0,0,0,0|1,0,0]=3 101 B6R0.4 COCCC(C)=O 4022132 [1,1,0,0,0,0|0,0,0]=2 102 B6R0.4 CSCCC(=N)N 4042665 [1,1,0,0,0,0|2,0,0]=4 103 B6R0.4 NC(=O)CCCCl 4028442 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.5 CC(C)(C)CNN 4043230 [1,1,0,0,0,0|2,0,0]=4 105 B6R0.5 CC(C)(O)CCCl 4047844 [1,1,0,0,0,0|1,0,1]=4 106 B6R0.5 CC(C)(O)CCN 4044047 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.5 CC(C)(O)CNN 4085384 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.5 CNCC(C)(C)C 4017477 [1,1,0,0,0,0|1,0,0]=3 109 B6R0.5 CNCC(C)(C)O 4085463 [1,1,0,0,0,0|1,0,0]=3 110 B6R0.5 COCC(C)(C)N 4017683 [1,1,0,0,0,0|1,0,0]=3 111 B6R0.5 CS(=O)(=O)CCCl 4036406 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.5 CS(=O)(=O)CCN 4030796 [1,1,0,0,0,0|2,0,0]=4 113 B6R0.7 CC(C)(C)C(=N)N 4034719 [0,1,0,0,1,0|2,0,0]=4 114 B6R0.7 CC(C)(N)C(N)=O 4029572 [0,1,0,0,1,0|1,0,0]=3 115 B6R0.7 CC(C)C(C)(C)N 4045550 [0,1,0,0,1,0|1,0,1]=4 116 B6R0.7 CC(N)C(C)(C)O 4035420 [0,1,0,0,1,0|1,0,1]=4 117 B8R0.9 CC(C)CNC(=O)CCl 4025710 [0,1,0,0,0,1|0,0,0]=2 118 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,1,0,0,0,1|2,0,0]=4 119 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,1,0,0,0,1|2,0,0]=4 120 B8R0.23 CC(=O)CC(=O)C(C)C 4036300 [0,1,0,0,0,1|0,0,0]=2 121 B8R0.23 CC(=O)CC(=O)C(F)F 3001897 [0,1,0,0,0,1|2,0,0]=4 122 B8R0.23 CC(=O)CN(C)C(C)C 4028473 [0,1,0,0,0,1|0,0,0]=2 123 B8R0.23 CC(C)N(C)CC(=O)O 4027636 [0,1,0,0,0,1|1,0,0]=3 124 B8R0.23 CC(C)NC(=O)C(=O)O 4030323 [0,1,0,0,0,1|1,0,1]=4 125 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,1,0,0,0,1|1,0,0]=3 126 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,1,0,0,0,1|2,0,0]=4 127 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,1,0,0,0,1|2,0,0]=4 128 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,1,0,0,0,1|1,0,0]=3 129 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,1,0,0,0,1|1,0,0]=3 130 B8R0.29 CC(C)(O)C#CC(=O)O 5858379 [0,1,0,0,0,1|1,0,1]=4 131 B8R0.29 CC(C)CNC(C)(C)C 4029184 [0,1,0,0,0,1|1,0,1]=4 132 B8R0.2 CC(C)C(O)\C(N)=N/O 4045615 [0,2,0,0,0,0|1,0,1]=4 133 B8R0.2 CC(C)N(C)C(=O)CCl 4028437 [0,2,0,0,0,0|1,0,0]=3 134 B8R0.2 CCN(C)C(C)C(=O)O 4027525 [0,2,0,0,0,0|2,0,0]=4 135 B8R0.5 CC(=O)CN(C)CCO 4028287 [0,2,0,0,0,0|1,0,0]=3 136 B8R0.5 CC(C)NC(=O)CCCl 4032028 [0,2,0,0,0,0|1,0,0]=3 137 B8R0.5 CN(CCO)CC(=O)O 4027421 [0,2,0,0,0,0|2,0,0]=4 138 B8R0.5 COCC(=O)CC(C)=O 4036230 [0,2,0,0,0,0|1,0,1]=4 139 B8R0.16 CCN(CC)CC(=O)O 4010142 [0,2,0,0,0,0|2,0,0]=4 140 B8R0.16 COC(CC(=O)O)OC 4049868 [0,2,0,0,0,0|1,0,0]=3 141 B8R0.19 CCC(C)NC(=O)CCl 4028165 [0,2,0,0,0,0|1,0,0]=3 142 B8R0.19 CCN(C)CC(=O)NN 4032665 [0,2,0,0,0,0|2,0,0]=4 143 B8R0.19 CCN(C)CC(=O)NN 4090335 [0,2,0,0,0,0|2,0,0]=4 144 B8R0.19 CCN(C)CC(C)CN 4028082 [0,2,0,0,0,0|2,0,0]=4 145 B8R0.19 CNC(=O)CC(C)NC 4034214 [0,2,0,0,0,0|0,0,0]=2 146 B8R0.19 CNC(=O)CC(C)NC 4088864 [0,2,0,0,0,0|0,0,0]=2 147 B8R0.24 CC(C)(C)NC(=O)CCl 4028666 [0,2,0,0,0,0|1,0,0]=3 148 B8R0.24 CC(C)(C)NC(=O)CN 4028896 [0,2,0,0,0,0|1,0,0]=3 149 B8R0.24 CC(C)(C)NC(=O)CN 4088560 [0,2,0,0,0,0|1,0,0]=3 150 B8R0.34 C=CC(C)(C)CC(=O)O 4032003 [0,2,0,0,0,0|1,0,0]=3 151 B8R0.34 CC(C)(CO)CC(=O)[O-] 4066008 [0,2,0,0,0,0|1,0,0]=3 152 B8R0.18 CC(C)C(CN)N(C)C 4028594 [0,2,0,0,0,0|2,0,0]=4 153 B8R0.18 CCC(C(=O)O)N(C)C 4028086 [0,2,0,0,0,0|2,0,0]=4 154 B6R1.2 CC1CNOC1 4040895 [1,0,0,1,0,0|1,0,1]=4 155 B6R1.2 NC1CCOC1 4003522 [1,0,0,1,0,0|2,0,0]=4 156 B6R1.3 CCNC1CC1 4110570 [1,0,0,1,0,0|1,0,1]=4 157 B6R1.3 CNCC1CC1 4033531 [1,0,0,1,0,0|1,0,0]=3 158 B6R1.10 CC1(N)CCC1 4042856 [1,0,0,1,0,0|1,0,1]=4 159 B6R1.11 CC(N)C1CC1 4004109 [1,0,0,1,0,0|1,0,1]=4 160 B6R1.11 CC(N)C1CC1 4088031 [1,0,0,1,0,0|1,0,1]=4 161 B6R1.11 N=C(N)C1CC1 4041549 [1,0,0,1,0,0|2,0,0]=4 162 B6R1.11 N=C(N)C1CC1 4088692 [1,0,0,1,0,0|2,0,0]=4 163 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,1|1,0,1]=4 164 B8R1.3 C[C@@H]1CNC(=O)CN1 4082079 [0,0,0,1,0,1|1,0,0]=3 165 B8R1.3 C[C@H]1CNC(=O)CN1 4084192 [0,0,0,1,0,1|1,0,0]=3 166 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,1|1,0,0]=3 167 B8R1.3 O=C1NCC(O)CN1 4044966 [0,0,0,1,0,1|2,0,0]=4 168 B8R1.23 CC(C)N1CC(O)C1 4108213 [0,0,0,1,0,1|0,0,2]=4 169 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,0,0,1,0,1|2,0,0]=4 170 B8R1.35 CC(C)CNC1CC1 4030537 [0,0,0,1,0,1|1,0,1]=4 171 B8R1.35 CC(C)NCC1CC1 4024833 [0,0,0,1,0,1|1,0,1]=4 172 B8R1.35 O=C(O)C#CC1CC1 5118948 [0,0,0,1,0,1|1,0,1]=4 173 B8R1.51 CC1(C)CCC(=O)C1 4042132 [0,0,0,1,0,1|0,0,0]=2 174 B8R1.51 CC1(C)CNC(=O)C1 4026748 [0,0,0,1,0,1|0,0,0]=2 175 B8R1.51 CC1(C)COC(=O)C1 4108200 [0,0,0,1,0,1|0,0,0]=2 176 B8R1.51 CC1(C)COC(=O)N1 4044911 [0,0,0,1,0,1|1,0,0]=3 177 B8R1.51 CC1CCC(C)(C)N1 4108245 [0,0,0,1,0,1|1,0,1]=4 178 B8R1.51 CC1CNC(C)(C)C1 4044904 [0,0,0,1,0,1|1,0,1]=4 179 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,1|1,0,0]=3 180 B8R1.1 CC1=NOC(CN)C1 4010754 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.1 CCC1COC(=O)N1 4044759 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.1 CN1CCC(CBr)C1 4044199 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.1 CN1CCC(CCl)C1 4018173 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.1 CN1CCC(CN)C1 4003800 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.1 CN1CCC(CO)C1 4003799 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.1 NCC1CCC(=O)N1 4110532 [0,1,0,1,0,0|1,0,0]=3 187 B8R1.1 NCC1CNC(=O)C1 4002894 [0,1,0,1,0,0|1,0,0]=3 188 B8R1.1 O=C1CC(CBr)CN1 4076303 [0,1,0,1,0,0|1,0,0]=3 189 B8R1.1 O=C1CC(CO)CN1 4108826 [0,1,0,1,0,0|1,0,0]=3 190 B8R1.1 O=C1CCC(CBr)O1 4085450 [0,1,0,1,0,0|1,0,0]=3 191 B8R1.1 O=C1CCC(CI)N1 4110716 [0,1,0,1,0,0|1,0,0]=3 192 B8R1.4 CC1CCCC(=O)N1 4027532 [0,1,0,1,0,0|1,0,0]=3 193 B8R1.4 CC1CN(C)CCN1 4050805 [0,1,0,1,0,0|2,0,0]=4 194 B8R1.4 CC1COCC(=O)N1 4028237 [0,1,0,1,0,0|1,0,0]=3 195 B8R1.4 CN1CCC=C(Br)C1 4108273 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.4 C[C@@H]1CN(C)CCN1 4066708 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.4 C[C@@H]1CNCC(=O)N1 4054334 [0,1,0,1,0,0|1,0,0]=3 198 B8R1.4 C[C@H]1CN(C)CCN1 4004800 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.4 C[C@H]1CNCC(=O)N1 4108180 [0,1,0,1,0,0|1,0,0]=3 200 B8R1.18 CN1CC(N)CC1=O 4014078 [0,1,0,1,0,0|1,0,0]=3 201 B8R1.34 O=C(O)CC1CCC1 4028895 [0,1,0,1,0,0|1,0,0]=3 202 B8R1.40 NCC(=O)NC1CC1 4031002 [0,1,0,1,0,0|1,0,0]=3 203 B8R1.40 N\C(CC1CC1)=N/O 4044756 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.40 O=C(CCl)NC1CC1 4027313 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.42 CC(=O)CC1(C)CC1 4002837 [0,1,0,1,0,0|0,0,0]=2 206 B8R1.42 CC(C)CC1(N)CC1 4021537 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.56 O=S(=O)(Cl)CC1CC1 4036512 [0,1,0,1,0,0|2,0,0]=4 208 B8R2.34 C1CC2CC1CN2 4100721 [0,0,0,2,0,0|1,0,1]=4 209 B8R0.28 CC(C)NCCC(N)=O 4029400 [0,0,0,0,0,2|1,0,0]=3