0 B6R0.1 CCCC(=O)OC 8838AJ [0,0,0,0,0,0|1,0,0]=1 1 B6R0.1 CCCC(Cl)CC 6028AL [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 COC(=N)CCCl 3040AC [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 COC(=N)CCCl W4440 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 COC(=O)NC=O 3236AB [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 COCC(N)=NO 6397AC [0,0,0,0,0,0|3,1,0]=4 6 B5R0.1 CCNC(=O)Cl Y1298 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 NCCC(N)=O 6432AB [1,0,0,0,0,0|3,0,0]=4 8 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 CC[SiH](C)CC 8570AJ [1,0,0,0,0,0|2,1,0]=4 10 B5R0.3 COC(C)CN 8504AE [1,0,0,0,0,0|2,0,1]=4 11 B5R0.3 NNC(=O)CCl 9693AF [1,0,0,0,0,0|3,0,0]=4 12 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,1,0,0,0,0|3,0,0]=4 13 B7R0.2 CNC(=O)CC(C)N 5418AE [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 COC(=O)CC(=N)N 7010AJ [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 COC(=O)CC(C)N TMBA004 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,0,0,0,0|2,0,1]=4 17 B7R0.3 CCCCC(=O)CCl 6831AD [0,1,0,0,0,0|3,0,0]=4 18 B7R0.3 CNC(=O)CCCO 2742AL [0,1,0,0,0,0|2,0,0]=3 19 B7R0.3 CNC(=O)CN=[N+]=[N-] 4587AF [0,1,0,0,0,0|3,0,0]=4 20 B7R0.7 CCOC(=O)NOC 2240AE [0,1,0,0,0,0|1,1,0]=3 21 B7R0.10 CCC(=O)C(=O)OC W5987 [0,1,0,0,0,0|1,0,1]=3 22 B7R0.10 CNC(=O)C(C)NC 7051AE [0,1,0,0,0,0|2,0,0]=3 23 B7R0.10 CNC(C)C(=O)OC TMA004 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.10 COC(=O)C(Cl)CO 0534AQ [0,1,0,0,0,0|2,0,0]=3 25 B7R0.10 COC(=O)C(O)CN 7006AJ [0,1,0,0,0,0|2,0,0]=3 26 B7R1.1 CCC1=CCCC1 4839AL [0,0,0,1,0,0|3,0,0]=4 27 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 CC1CSC(=O)S1 0954AB [0,0,0,1,0,0|2,1,0]=4 30 B7R1.2 N[C@@H]1CNC(=O)C1 9184AH [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 N[C@H]1CNC(=O)C1 9015AH [0,0,0,1,0,0|3,0,0]=4 32 B7R1.2 O=C1CCC(F)C1 3909AA [0,0,0,1,0,0|3,0,0]=4 33 B7R1.2 O=C1C[C@@H](S)CN1 1221AL [0,0,0,1,0,0|3,0,0]=4 34 B7R1.3 CC1=NCCNC1 3262AJ [0,0,0,1,0,0|3,0,0]=4 35 B7R1.3 O=C1CNCCO1 W6328 [0,0,0,1,0,0|1,0,0]=2 36 B7R1.4 CC1CSCC1=O 6972AB [0,0,0,1,0,0|1,0,0]=2 37 B7R1.25 COC1(C)CNC1 3962AC [0,0,0,1,0,0|2,0,1]=4 38 B4R0.1 CC(S)CS 4476AL [2,0,0,0,0,0|0,1,1]=4 39 B4R0.1 CCC(=O)S Y1833 [2,0,0,0,0,0|0,1,0]=3 40 B4R0.2 C=C=CCC 4475AL [2,0,0,0,0,0|1,0,1]=4 41 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|2,0,0]=4 42 B4R0.2 CCSCC E138 [2,0,0,0,0,0|2,0,0]=4 43 B4R0.2 CSCCN 6224AD [2,0,0,0,0,0|1,0,1]=4 44 B4R0.2 C\C=C/CO 5583AB [2,0,0,0,0,0|1,1,0]=4 45 B4R0.2 C\C=C\CBr 8491AJ [2,0,0,0,0,0|2,0,0]=4 46 B6R0.2 CC(=O)CN(C)C 4784AD [1,1,0,0,0,0|1,0,0]=3 47 B6R0.2 O=C(O)CC(F)F Z1905 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 C=C[C@@H](N)C(=O)O 7467AB [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 CC(=O)[C@@H](N)CO 5840AA [1,1,0,0,0,0|2,0,0]=4 50 B6R0.3 C[C@H](CN)C(=O)O 0884AB [1,1,0,0,0,0|2,0,0]=4 51 B6R0.3 C[C@H](CO)C(=O)O 9932AA [1,1,0,0,0,0|2,0,0]=4 52 B6R0.3 NC(CF)C(=O)O 8475AA [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 NCC(F)C(=O)O X2955 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.3 O=C(O)C(Br)CF 0454AQ [1,1,0,0,0,0|2,0,0]=4 56 B6R0.4 CCCC[Sn](=O)O 8518AL [1,1,0,0,0,0|2,0,0]=4 57 B6R0.4 C\C=C\CC(=O)O 6149AL [1,1,0,0,0,0|1,0,0]=3 58 B6R0.9 C\N=C(/NC)SC 1480AL [1,1,0,0,0,0|2,0,0]=4 59 B8R0.2 CCC(Br)C(=O)N(C)C 2371AE [0,2,0,0,0,0|2,0,0]=4 60 B8R0.2 COC(=O)C(C)C(C)=O 3823AH [0,2,0,0,0,0|1,0,0]=3 61 B8R0.5 CCCC(=O)CC(C)C 9453AB [0,2,0,0,0,0|2,0,0]=4 62 B8R0.5 CCOC(=O)CC(=N)N 6966AB [0,2,0,0,0,0|2,0,0]=4 63 B8R0.19 COC(=N)CC(=N)OC 1040AC [0,2,0,0,0,0|1,1,0]=4 64 B8R0.19 COC(=O)CC(O)CCl 1082AA [0,2,0,0,0,0|1,0,0]=3 65 B8R0.23 CC(C)CC(=O)C(C)C 5375AL [0,2,0,0,0,0|2,0,0]=4 66 B8R0.1 CCOC(=O)CCC=O Y1687 [0,2,0,0,0,0|1,0,1]=4 67 B8R0.1 CCOC(=O)CCCCl X7914 [0,2,0,0,0,0|1,0,0]=3 68 B8R0.1 CCOCC(=O)OCC X4417 [0,2,0,0,0,0|0,1,0]=3 69 B8R0.3 C#CC(O)C(=O)OCC 5649AL [0,2,0,0,0,0|1,0,1]=4 70 B8R0.3 CCOC(=O)C(Br)C#N Z3944 [0,2,0,0,0,0|2,0,0]=4 71 B8R0.3 CCOC(=O)C(C)C=O X5962 [0,2,0,0,0,0|2,0,0]=4 72 B8R0.3 CCOC(=O)C(C)CN X7010 [0,2,0,0,0,0|2,0,0]=4 73 B8R0.3 CCOC(=O)C(N)C#N X3969 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.3 CCOC(=O)[C@@H](C)OC 3307AL [0,2,0,0,0,0|0,1,0]=3 75 B8R0.3 COC(=O)[C@@H](N)CCBr 3496AL [0,2,0,0,0,0|1,0,0]=3 76 B8R0.3 COC(C)C(=O)CC#N 2862AJ [0,2,0,0,0,0|2,0,0]=4 77 B8R0.3 CO\C=C(/I)C(=O)OC 1336AL [0,2,0,0,0,0|0,1,1]=4 78 B8R0.6 COC(=O)CCNC=O 4147AB [0,2,0,0,0,0|1,0,1]=4 79 B8R0.9 COC(=O)CCN(C)C 4989AB [0,2,0,0,0,0|1,0,0]=3 80 B8R0.13 CC[C@](C)(N)C(=O)OC 1282AL [0,2,0,0,0,0|1,0,0]=3 81 B8R0.13 COC(=O)C(C)(C)CN 2027AB [0,2,0,0,0,0|2,0,0]=4 82 B8R0.20 COC(=O)C(C=O)C=O 6930AB [0,2,0,0,0,0|2,0,0]=4 83 B8R0.20 COC(=O)C(CN)CN 7994AA [0,2,0,0,0,0|2,0,0]=4 84 B6R1.2 OC1CCSC1 Y1949 [1,0,0,1,0,0|0,0,2]=4 85 B6R1.10 CC1(N)CSC1 3915AF [1,0,0,1,0,0|1,0,1]=4 86 B6R1.11 O=C(O)C1CO1 4445AJ [1,0,0,1,0,0|0,1,0]=3 87 B6R1.11 O=C(O)[C@@H]1CN1 9211AA [1,0,0,1,0,0|1,0,0]=3 88 B6R1.11 O=C(O)[C@H]1CN1 1874AC [1,0,0,1,0,0|1,0,0]=3 89 B6R1.11 [C@@H]1(C(=O)[O-])CO1 0147AF [1,0,0,1,0,0|0,1,1]=4 90 B6R1.1 C1CSCCS1 U566 [1,0,0,1,0,0|0,1,1]=4 91 B8R1.1 C=C[C@@H]1COC(=O)C1 4157AA [0,1,0,1,0,0|1,0,1]=4 92 B8R1.1 C=C[C@H]1COC(=O)C1 1309AL [0,1,0,1,0,0|1,0,1]=4 93 B8R1.1 CCN1CCC(=O)C1 0571AA [0,1,0,1,0,0|2,0,0]=4 94 B8R1.1 COC1CCC(=O)N1 W1034 [0,1,0,1,0,0|1,1,0]=4 95 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|2,0,0]=4 96 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,1,0,1,0,0|1,1,0]=4 97 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,1,0,0|2,0,0]=4 98 B8R1.51 CC1(O)CNC(=O)C1 7641AB [0,1,0,1,0,0|2,0,0]=4 99 B8R1.2 COC1=CCOCC1 Y5304 [0,1,0,1,0,0|1,1,0]=4 100 B8R1.3 CC1COC(=O)OC1 3991AC [0,1,0,1,0,0|1,0,0]=3 101 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,1,0,0|2,0,0]=4 102 B8R1.3 O=C1COC(=O)CN1 3606AL [0,1,0,1,0,0|1,0,1]=4 103 B8R1.5 NC1CCCCC1=O Y8332 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.5 O=C1CCCCC1F Z5041 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.5 O=C1NCCC[C@H]1O 1192AB [0,1,0,1,0,0|2,0,0]=4 106 B8R1.5 O=C1NCCOC1=O 3605AL [0,1,0,1,0,0|1,0,1]=4 107 B8R1.5 O=C1OCCCC1O Y3190 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.22 O=C1COCCCN1 1535AL [0,1,0,1,0,0|1,1,0]=4 109 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,1,0,0|2,0,0]=4 110 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br 0017AD [0,1,0,1,0,0|2,0,0]=4