0 B10R1.61 CC(=O)C1=CC=CN=C1Cl 4031453 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.61 NC1=CC=NC=C1B(O)O 4088782 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)C1=NC=CN=C1 3020083 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.15 CC1=NC=CN=C1C=O 4030187 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.53 NCC1=CC=CC=C1C(=O)O 4090789 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.167 NC(=O)C1=C(Br)C=CC(N)=C1 4089536 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4031261 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.222 NCC(O)C1=C(Br)C=CC=C1 4090928 [0,1,0,0,0,0|2,0,1]=4 12 B11R2.1 CC1=NNC2=CC=CC=C21 4088223 [0,0,0,1,0,0|3,0,0]=4 13 B11R2.1 NC1=NOC2=CC=CC=C21 3020311 [0,0,0,1,0,0|2,0,0]=3 14 B11R2.1 NC1COC2=CC=CC=C21 4088614 [0,0,0,1,0,0|2,0,1]=4 15 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [0,0,0,0,1,0|3,0,0]=4 16 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [0,0,0,0,1,0|3,0,0]=4 20 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.86 O=C(O)CC1=CN=CNC1=O 4036148 [0,0,0,0,0,1|2,0,1]=4 22 B8R1.2 O=CC1=CC=NN=C1 4015481 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 4090345 [1,1,0,0,0,0|2,0,0]=4 25 B10R1.13 N=C(N)C1=CC=C(F)C=C1 4089401 [1,1,0,0,0,0|2,0,0]=4 26 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,1]=4 27 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,1]=4 28 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.4 O=C=NC1=CC=CC=C1Br 3020265 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.20 CNC1=NC=CC=C1C=O 4090184 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|1,0,1]=4 32 B10R1.39 O=C(O)C1=C(CBr)OC=C1 4104018 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.149 COC(=O)C1=C(N)SC=C1 3001619 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,1,0|2,0,0]=4 36 B12R1.151 CS(=O)(=O)NC1=CC=CC=C1O 9071985 [0,1,0,0,0,1|1,0,1]=4 37 B12R1.371 NCC(=O)NC1=CC=CC=C1Br 4090170 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.371 NNC(=O)CC1=C(Cl)C=CC=C1 3015351 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.77 NNC(=O)C1=CC=CC=C1CO 4033429 [0,2,0,0,0,0|1,0,0]=3 40 B12R1.894 CC1=C(C(=O)O)C(=O)N(C)C=C1 4110714 [0,2,0,0,0,0|1,0,1]=4 41 B12R1.1000 CC1=CC(=O)C(C(=O)O)=C(C)N1 4088153 [0,2,0,0,0,0|1,0,1]=4 42 B12R1.1000 CC1=CC(Cl)=NC(C)=C1C(=O)O 4044225 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl 3015281 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.440 COC1=C(O)C(C(=O)O)=NC=C1 4063258 [0,2,0,0,0,0|1,0,0]=3 45 B12R1.1703 CCC(=O)C1=C(N)C=C(Br)C=C1 5216238 [0,2,0,0,0,0|2,0,0]=4 46 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1O 3015284 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.354 CNC(=O)C1=C(F)C=CC(N)=C1 4089864 [0,2,0,0,0,0|2,0,0]=4 48 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,2,0,0,0,0|1,0,0]=3 49 B12R2.132 NC1=CC2=C(C=C1)NN=C2O 4088362 [0,1,0,1,0,0|2,0,0]=4