0 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.35 CC1=CC(C(N)=S)=NO1 ACI-02391 [0,0,0,0,0,0|2,1,0]=3 6 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,0,0,0,0,0|0,0,2]=2 10 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.35 CC1=NSC(B(O)O)=C1 ACI-04470 [0,0,0,0,0,0|2,0,2]=4 12 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 O=C(O)C1=NNC(O)=C1 SB-04E-001 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.1 CC1=CC(C#N)=NO1 ACI-02390 [1,0,0,0,0,0|2,0,1]=4 22 B8R1.1 CC1=CC(CBr)=NO1 ACI-00511 [1,0,0,0,0,0|2,0,1]=4 23 B8R1.1 CC1=CC(CCl)=NO1 ACI-00252 [1,0,0,0,0,0|2,0,1]=4 24 B8R1.1 CC1=CC(CN)=NO1 JM-11D-001 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.1 CC1=CC(CO)=NO1 ACI-00368 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.1 CC1=NOC(CO)=C1 RH-08E-002 [1,0,0,0,0,0|1,0,2]=4 30 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,0,0|1,0,2]=4 36 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,0,0,0,0,0|0,0,0]=1 49 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.14 CC1=CC(C(=O)NN)=NO1 ACI-02193 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.14 CC1=NNC(C(=O)NN)=C1 ACI-01465 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,0,0|0,0,2]=3 55 B10R1.14 COC(=O)C1=CN(C)C=N1 ACI-02533 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,0,0|2,0,1]=4 57 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,1,0,0,0,0|2,0,1]=4 60 B10R1.31 CCC1=CC(C(=O)O)=CS1 JL-14K-001 [0,1,0,0,0,0|2,0,0]=3 61 B10R1.31 CCC1=NC(C(=O)O)=CN1 ACI-04660 [0,1,0,0,0,0|2,0,0]=3 62 B10R1.55 CC1=CC(C(F)(F)F)=NN1 RH-12G-001 [0,1,0,0,0,0|2,0,1]=4 63 B10R1.58 CC1=CC(C(=O)Cl)=NN1C ACI-NI-00042 [0,1,0,0,0,0|1,0,0]=2 64 B10R1.58 CC1=CC(C(=O)O)=NN1C ACI-NI-00041 [0,1,0,0,0,0|0,0,0]=1 65 B10R1.58 CC1=CC(C(N)=O)=NN1C ACI-05351 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,1,0,0,0,0|3,0,0]=4 67 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ACI-NI-00045 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ACI-NI-00044 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 ACI-05352 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.194 CC1=NSC(C(=O)O)=C1Br ACI-NI-00727 [0,1,0,0,0,0|1,0,1]=3 72 B10R1.194 CN1N=CC(C(=O)O)=C1N RH-05E-003 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.194 O=C(O)C1=C(Cl)C(Cl)=NS1 ACI-00540 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,0,0,0,0,1|2,0,1]=4 75 B10R1.13 CC1=CN=C(C(=N)N)C=C1 RH-08K-006 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,0,0,0,0,1|1,0,0]=2 77 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,0,0,0,0,1|3,0,0]=4 78 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,0,0,0,0,1|2,0,1]=4 82 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,0,0,0,0,1|1,0,1]=3 83 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,0,0,0,0,1|2,0,1]=4 84 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,0,0,0,0,1|2,0,0]=3 85 B10R1.13 O=C1CC=C(C(=O)O)N=N1 JL-11I-005 [0,0,0,0,0,1|1,0,1]=3 86 B10R1.13 O=C1CCC(C(=O)O)=NN1 JL-11K-005 [0,0,0,0,0,1|1,0,1]=3 87 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,0,0,0,0,1|3,0,0]=4 88 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,0,0,0,0,1|3,0,0]=4 89 B10R1.113 CC1=CC(C(=N)N)=NC=C1 ACI-02502 [0,0,0,0,0,1|3,0,0]=4 90 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [0,0,0,0,0,1|3,0,0]=4 93 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,0,0,0,0,1|2,0,1]=4 94 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,0,0,0,0,1|2,0,1]=4 95 B7R1.1 O=CC1=CC=NO1 ACI-04961 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [2,0,0,0,0,0|1,0,1]=4 97 B7R1.2 CC1=CC(C)=NN1 ACI-00749 [2,0,0,0,0,0|0,0,1]=3 98 B9R1.132 CC1=NSC(C=O)=C1Br ACI-NI-00749 [1,1,0,0,0,0|1,0,1]=4 99 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [1,1,0,0,0,0|1,0,1]=4 101 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [1,1,0,0,0,0|1,0,1]=4 102 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [1,1,0,0,0,0|0,0,2]=4 103 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.22 CC1=CN=C(\C(N)=N\O)C=C1 JM-08K-004 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,1|1,0,1]=4 106 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.166 O=C(O)C1=C(O)N=C(O)N=N1 ACI-01802 [0,1,0,0,0,1|1,0,1]=4 110 B11R1.23 CC1=CC(\C(N)=N\O)=NC=C1 ACI-02488 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [0,1,0,0,0,1|1,0,1]=4 113 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 ACI-00984 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O WS-02D-005 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.167 NC1=NC=C(I)C=C1C(=O)O WS-02E-004 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.167 O=C(O)C1=C(Cl)N=NC(Cl)=C1 ACI-04738 [0,1,0,0,0,1|1,0,1]=4 117 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl WS-02E-001 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O ACI-00110 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl ACI-00301 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O WS-01E-001 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl ACI-00426 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.266 COC1=CC=NC(C(=O)O)=C1 ACI-NI-00709 [0,1,0,0,0,1|1,0,0]=3 124 B11R1.15 CCOC(=O)C1=CC(C)=NN1 ACI-00406 [0,2,0,0,0,0|0,0,2]=4 125 B11R1.15 CCOC(=O)C1=CC(C)=NO1 RH-06C-003 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.15 CCOC(=O)C1=CNC(C)=N1 ACI-04662 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.15 CCOC(=O)C1=NN=C(C)O1 ACI-01474 [0,2,0,0,0,0|1,0,1]=4 128 B11R1.15 CCOC(=O)C1=NNC(O)=C1 SB-04E-002 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.15 CCOC(=O)C1=NOC(C)=C1 ACI-NI-00049 [0,2,0,0,0,0|1,0,0]=3 130 B11R1.15 CCOC(=O)C1=NOC(C)=N1 ACI-NI-00069 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.226 COC(=O)C1=NN(C)C(O)=C1 ACI-01051 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.48 CC1=C(C=O)SC(C(=O)O)=C1 ACI-06397 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.124 CCCC1=NC(C(=O)O)=CN1 ACI-04661 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.175 O=C(O)C1=CC(C(=O)O)=NN1 ACI-02183 [0,2,0,0,0,0|0,0,1]=3 135 B11R1.49 CCN1N=C(C)C=C1C(=O)O SB-10B-002 [0,2,0,0,0,0|0,0,2]=4