0 B9R1.35 CC1=CC(C(=O)O)=CS1 3002756 [0,0,0,0,0,0|0,0,0]=0 1 B9R1.35 CC1=CC=C(B(O)O)O1 3200979 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.35 CC1=CC=C(B(O)O)O1 4088928 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC1=CC=C(C(=N)N)O1 4090997 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 CC1=CC=C(C(=O)O)S1 3001579 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC1=CNC(C(=O)O)=N1 4088804 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CC1=CSC(B(O)O)=C1 4089313 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.35 CC1=NC(C(=O)O)=CN1 4088219 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.35 CC1=NN=C(C(=O)O)O1 4088445 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CC1=NNC(C(=O)O)=N1 4003911 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 CC1=NNC([N+](=O)[O-])=C1 3002042 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.35 CN1N=CC(C(=O)O)=N1 4110789 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 NC(=O)C1=CSC(Cl)=N1 4036343 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.35 NC(=O)C1=NNC(N)=C1 4089407 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 O=C(O)C1=CC(Br)=CS1 3013954 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.35 O=C(O)C1=NNC(Cl)=N1 4091079 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.1 CC1=CNC(C=O)=C1 4036719 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.1 CC1=NC(C=O)=CO1 4038328 [1,0,0,0,0,0|1,1,0]=3 18 B8R1.1 CC1=NC(CCl)=CS1 4089600 [1,0,0,0,0,0|2,0,1]=4 19 B8R1.1 CC1=NC=C(C=O)S1 4301186 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.1 CN1C=C(C=O)C=N1 4301129 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.1 OCC1=CSC(Br)=N1 4088989 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.14 CC1=CC(C(=O)NN)=CS1 3007489 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.14 CC1=CC(C(=O)NN)=NO1 3007474 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.14 COC(=O)C1=NNC(N)=C1 4088532 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.31 CCC1=CC(C(=O)O)=CS1 3007503 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.31 CCC1=CC=C(C(=O)O)N1 4043364 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.31 CCC1=NC(C(=O)O)=CO1 3002816 [0,1,0,0,0,0|1,1,0]=3 28 B10R1.31 CNC1=NC(C(=O)O)=CS1 4088392 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.31 COC1=CC=C(C(=O)O)O1 4001967 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.31 NCC1=CC=C(C(=O)O)O1 4089807 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.58 CC1=CC(C(=O)O)=NN1C 3002387 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.58 CC1=NC(C(=O)O)=NN1C 4085547 [0,1,0,0,0,0|3,0,0]=4 33 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 4089989 [0,1,0,0,0,0|2,0,0]=3 34 B10R1.59 CC(=O)C1=CN(C)N=C1C 4002405 [0,1,0,0,0,0|3,0,0]=4 35 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 4029525 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.59 CC1=NC(C(N)=O)=C(N)N1 4027212 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 4035239 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.194 CC1=C(C)C(C(=O)O)=CS1 3002457 [0,1,0,0,0,0|0,0,0]=1 39 B10R1.194 CC1=CC=C(C(=O)O)N1C 4028920 [0,1,0,0,0,0|2,0,0]=3 40 B10R1.194 CC1=NNC(C(=O)O)=C1C 4010193 [0,1,0,0,0,0|2,0,0]=3 41 B10R1.194 NC1=C(Cl)C(C(=O)O)=NN1 5815795 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 CC(=O)C1=NC=C(C)C=C1 4088632 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.54 CC1=CN(CC(=O)O)N=C1 4089617 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.54 CN1C=CC(CC(=O)O)=C1 4400835 [0,0,0,0,0,1|2,0,0]=3 45 B7R1.1 O=CC1=CC=NS1 4030495 [2,0,0,0,0,0|2,0,0]=4 46 B7R1.1 O=CC1=CSN=C1 4030020 [2,0,0,0,0,0|1,0,0]=3 47 B7R1.2 CC1=COC(C)=C1 4091270 [2,0,0,0,0,0|0,1,1]=4 48 B9R1.21 CCC1=NC(CO)=CS1 4090454 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.132 CC1=C(C)C(CO)=CS1 4027732 [1,1,0,0,0,0|0,0,1]=3 50 B9R1.41 CC1=C(C(=O)O)N=CS1 4043076 [1,1,0,0,0,0|1,0,0]=3 51 B9R1.41 CC1=C(C(=O)O)OC=N1 4401487 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.41 CC1=C(C(=O)O)SC=C1 3020058 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.41 CN1C=CC=C1C(=O)O 3020106 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.41 NC(=O)C1=C(N)SC=C1 3014696 [1,1,0,0,0,0|1,0,0]=3 55 B9R1.41 O=C(O)C1=C(I)C=NN1 3001905 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 4030428 [0,1,0,0,0,1|2,0,0]=4 57 B11R1.3 O=C(O)C1=NC=C(CO)N=C1 4077916 [0,1,0,0,0,1|1,0,0]=3 58 B11R1.21 CC1=C(C)N=CC(C(=O)O)=C1 4091150 [0,1,0,0,0,1|1,0,0]=3 59 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 4089795 [0,1,0,0,0,1|1,0,0]=3 60 B11R1.313 CC1=C(C)N(CC(=O)O)C=N1 4088586 [0,1,0,0,0,1|2,0,0]=4 61 B11R1.167 CC1=NC(C(=O)O)=C(Cl)C=N1 4019250 [0,1,0,0,0,1|2,0,0]=4 62 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 4036495 [0,1,0,0,0,1|1,0,0]=3 63 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 4015123 [0,1,0,0,0,1|1,0,0]=3 64 B11R1.44 CCC1=CC(C(=O)NN)=CS1 3007502 [0,2,0,0,0,0|1,0,0]=3 65 B11R1.44 COC(=O)C1=CC=C(CCl)O1 3002364 [0,2,0,0,0,0|2,0,0]=4 66 B11R1.44 COC(=O)C1=CC=C(CO)O1 3001847 [0,2,0,0,0,0|2,0,0]=4 67 B11R1.225 CC1=CC(C(=O)NN)=C(C)O1 3002655 [0,2,0,0,0,0|1,1,0]=4 68 B11R1.226 COC(=O)C1=CC(Br)=C(C)N1 4085415 [0,2,0,0,0,0|2,0,0]=4 69 B11R1.865 CC1=C(C)C(C(=O)NN)=CS1 3007491 [0,2,0,0,0,0|1,0,0]=3 70 B11R1.48 CC1=C(CN)C=C(C(=O)O)O1 4090563 [0,2,0,0,0,0|2,0,0]=4 71 B11R1.48 CCC1=C(Br)C=C(C(=O)O)S1 3013956 [0,2,0,0,0,0|2,0,0]=4 72 B11R1.124 CCCC1=CC(C(=O)O)=CS1 3007506 [0,2,0,0,0,0|0,0,0]=2 73 B11R1.124 CCCC1=NOC(C(=O)O)=C1 3002261 [0,2,0,0,0,0|2,0,0]=4 74 B11R1.175 CC(=O)C1=NNC(C(=O)O)=C1 4005123 [0,2,0,0,0,0|2,0,0]=4 75 B11R1.175 CC(C)C1=CC(C(=O)O)=CS1 3007509 [0,2,0,0,0,0|0,0,0]=2 76 B11R1.175 CN(C)C1=NOC(C(=O)O)=C1 4037321 [0,2,0,0,0,0|2,0,0]=4 77 B11R1.49 COC1=C(C(=O)O)SC(C)=C1 4041180 [0,2,0,0,0,0|2,0,0]=4 78 B11R1.673 CC1=NN(C)C(C(=O)O)=C1C 4042991 [0,2,0,0,0,0|2,0,0]=4 79 B11R1.673 CC1=NN(C)C(C)=C1C(=O)O 3002132 [0,2,0,0,0,0|2,0,0]=4 80 B11R1.64 CCC1=C(C)SC=C1C(=O)O 3007493 [0,2,0,0,0,0|0,0,0]=2 81 B9R1.2 O=CC1=CC(O)=NC=N1 4110682 [1,0,0,0,0,1|2,0,0]=4 82 B11R1.75 NC1=NC(CCC(=O)O)=CS1 4088128 [0,0,0,0,0,2|2,0,0]=4 83 B11R1.157 CC1=CC(CC(=O)O)=NC=C1 4079088 [0,0,0,0,0,2|1,0,0]=3