0 B9R1.35 CC1=NOC(C(=O)O)C1 4401685 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CN1CCC(C(=O)O)C1 4003798 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CCC(C(=O)O)C1 4087795 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 O=C(O)C1=CN=C(S)N1 7113240 [0,0,0,0,0,0|1,1,2]=4 4 B9R1.35 O=C1C=C(C(=O)O)NN1 4031886 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.35 O=C1CC(C(=O)O)CN1 4002892 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.35 O=C1NC=C(C(=O)O)N1 4004252 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.35 O=C1NCC(C(=O)O)N1 4029000 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 O=C1NN=C(C(=O)O)N1 2402302 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4045606 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.1 CCC1COC(=O)N1 4044759 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.1 NCC1CCC(=O)N1 4110532 [1,0,0,0,0,0|1,0,1]=3 12 B8R1.1 O=C1CC(CO)CN1 4108826 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.1 O=C1CCC(CBr)O1 4085450 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.1 O=C1CCC(CI)N1 4110716 [1,0,0,0,0,0|1,0,1]=3 15 B8R1.7 CC(=O)C1CCCC1 4031395 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 CC(=O)C1CCCO1 4075977 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.7 O=C(O)C1CCCS1 4045536 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.14 COC(=O)C1=NNC(=O)N1 4043024 [0,1,0,0,0,0|2,0,1]=4 19 B10R1.31 CCN1CCC(C(=O)O)C1 4016132 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.58 CN1CC(C(=O)O)CC1=O 4340932 [0,1,0,0,0,0|2,0,0]=3 21 B10R1.58 CN1N=C(C(=O)O)NC1=O 4110482 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.194 CC1C(=O)OCC1C(=O)O 9071077 [0,1,0,0,0,0|2,0,0]=3 23 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 4002071 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.470 CN1CCC(C)(C(=O)O)C1 4002991 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.8 C=CCSC(C)C(=O)O 4026797 [0,0,1,0,0,0|3,0,0]=4 26 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,0,1,0,0,0|0,0,0]=1 27 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,0,1,0,0,0|2,0,0]=3 30 B8R0.23 CC(C)OC(C)C(=O)O 4020867 [0,0,1,0,0,0|2,0,1]=4 31 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,0,1,0,0,0|3,0,0]=4 32 B8R0.28 NC(=O)CCCC(=O)O 4027348 [0,0,1,0,0,0|0,0,0]=1 33 B8R0.28 NC(=O)COCC(=O)O 4026979 [0,0,1,0,0,0|1,0,0]=2 34 B8R0.28 NC(=O)CSCC(=O)O 4029864 [0,0,1,0,0,0|1,0,0]=2 35 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,0,0,0,1,0|1,0,2]=4 36 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [0,0,0,0,1,0|1,0,0]=2 37 B10R1.13 CN1CCC(C(=O)O)CC1 4400177 [0,0,0,0,0,1|3,0,0]=4 38 B10R1.13 O=C1CCC(C(=O)O)CN1 4015789 [0,0,0,0,0,1|0,0,0]=1 39 B10R1.13 O=C1CNC(C(=O)O)CN1 4110533 [0,0,0,0,0,1|1,0,0]=2 40 B10R1.54 CC1=NN(CC(=O)O)CC1 4035241 [0,0,0,0,0,1|2,0,1]=4 41 B10R1.54 CN1CCC(CC(=O)O)C1 4004912 [0,0,0,0,0,1|3,0,0]=4 42 B10R1.54 O=C(O)CC1=NNC(=O)N1 4010606 [0,0,0,0,0,1|2,0,1]=4 43 B10R1.54 O=C(O)C[C@@H]1CCC(=O)N1 4080838 [0,0,0,0,0,1|0,0,0]=1 44 B10R1.54 O=C(O)C[C@H]1CCC(=O)N1 4079802 [0,0,0,0,0,1|0,0,0]=1 45 B10R1.113 CN1CCNC(C(=O)O)C1 4142107 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.113 CN1CCOC(C(=O)O)C1 4078099 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](O)C1 4110383 [0,0,0,0,0,1|1,0,2]=4 48 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 4110843 [0,0,0,0,0,1|1,0,2]=4 49 B7R0.3 CCC(=O)NCCN 4110359 [1,0,1,0,0,0|1,0,1]=4 50 B7R0.4 C=CCSCC(=O)O 4026839 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.4 CCCOCC(=O)O 4020861 [1,0,1,0,0,0|1,0,1]=4 52 B7R0.4 CCCSCC(=O)O 4028731 [1,0,1,0,0,0|1,0,1]=4 53 B7R0.4 CCSCCC(=O)O 4028457 [1,0,1,0,0,0|2,0,0]=4 54 B7R0.5 CCNC(C)C(N)=O 4030069 [1,0,1,0,0,0|1,0,1]=4 55 B7R0.5 CCNC(C)C(N)=O 4089759 [1,0,1,0,0,0|1,0,1]=4 56 B7R0.5 CCOC(C)C(=O)O 4020873 [1,0,1,0,0,0|1,0,1]=4 57 B7R0.5 CCSC(C)C(=O)O 4028492 [1,0,1,0,0,0|1,0,1]=4 58 B7R0.5 CNCC(C)C(=O)O 4043069 [1,0,1,0,0,0|2,0,0]=4 59 B7R0.6 CC(C)NCC(=O)O 4028411 [1,0,1,0,0,0|1,0,1]=4 60 B7R0.15 CCC(NC)C(N)=O 4029111 [1,0,1,0,0,0|1,0,1]=4 61 B7R0.15 CCC(OC)C(=O)O 4020880 [1,0,1,0,0,0|1,0,1]=4 62 B7R1.2 CC1COC(=O)N1 4045335 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.29 CCC(C(=O)O)N(C)CC 4028284 [0,1,1,0,0,0|1,0,1]=4 64 B9R0.11 CC(=O)NC(C)(C)C(=O)O 4043820 [0,1,1,0,0,0|0,0,0]=2 65 B9R0.57 CC(NS(C)(=O)=O)C(=O)O 4030456 [0,1,1,0,0,0|1,0,0]=3 66 B9R0.53 CC(=O)NC(C)CC(=O)O 4027009 [0,1,1,0,0,0|2,0,0]=4 67 B9R1.7 CNCC1CCC(=O)N1 4111539 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.7 N#CC[C@H]1CCC(=O)N1 4067809 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.125 CC1(C#N)CCC(=O)N1 4033415 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.132 CN1C(=O)CCC1CI 4110721 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.132 CN1C(=O)CCC1CN 4110762 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.11 CNC(=O)[C@@H]1CCCN1 4045592 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.11 CNC(=O)[C@H]1CCCN1 4084126 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.41 CN1CCC[C@H]1C(=O)O 4030671 [1,1,0,0,0,0|0,0,1]=3 75 B9R1.41 CN1CSC[C@H]1C(=O)O 4035601 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.41 C[C@@H]1OCC[C@H]1C(=O)O 4085092 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.163 CC1(C(=O)O)CCCC1 4043330 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.163 CC1(C(=O)O)CCCN1 4039700 [1,1,0,0,0,0|0,0,1]=3 79 B9R1.163 CC1(C(=O)O)CCCO1 4018168 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.163 CC1(C(=O)O)CCNC1 4031237 [1,1,0,0,0,0|2,0,0]=4 81 B9R1.163 C[C@]1(C(=O)O)CCCN1 4142037 [1,1,0,0,0,0|0,0,1]=3 82 B9R1.163 O=C(O)C1(O)CCCC1 4030817 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.21 CN1CC(C(=O)O)CCC1=O 4015793 [0,1,0,0,0,1|0,0,0]=2 84 B11R1.21 CN1CC(C(=O)O)NCC1=O 4110537 [0,1,0,0,0,1|1,0,0]=3 85 B11R1.21 CN1N=C(C(=O)O)CCC1=O 4000132 [0,1,0,0,0,1|0,0,1]=3 86 B11R1.22 COC(=O)C1CNC(=O)CN1 4110534 [0,1,0,0,0,1|1,0,0]=3 87 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 4002025 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.74 C[C@@H]1C[C@@H](C(=O)O)NC(=S)N1 4140756 [0,1,0,0,0,1|0,1,0]=3 89 B11R1.48 CCN1CC(C(=O)O)CC1=O 4340933 [0,2,0,0,0,0|2,0,0]=4 90 B9R1.6 O=C(O)C1CCSCN1 4027710 [0,0,1,1,0,0|2,0,0]=4 91 B11R2.845 O=C(O)[C@H]1C[C@H]2CC[C@@H]1N2 4038019 [0,0,0,1,0,1|1,0,1]=4 92 B7R0.16 CC(C(=O)O)N(C)C 4028231 [0,0,1,0,1,0|2,0,0]=4 93 B9R0.4 CCCCC(N)CC(=O)O 4012458 [0,0,1,0,0,1|1,0,1]=4 94 B9R1.2 CCC1COCC(=O)N1 4027565 [1,0,0,0,0,1|1,0,1]=4 95 B9R1.13 O=C(O)CC1CCCN1 4004817 [1,0,0,0,0,1|0,0,1]=3 96 B9R1.13 O=C(O)CC1CCOC1 4004832 [1,0,0,0,0,1|2,0,0]=4 97 B11R1.20 O=C(O)CC1CCC(=O)CC1 4018513 [0,0,0,0,0,2|1,0,0]=3 98 B11R1.157 O=C(O)CN1CCNC(=O)C1 4014694 [0,0,0,0,0,2|2,0,0]=4