0 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.7 N=C(N)C1=CC=CS1 ACI-NI-00211 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.7 N=C(N)C1=CSC=C1 ACI-NI-00212 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [0,0,0,0,0,0|3,0,0]=3 5 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [0,0,0,0,0,0|3,0,0]=3 7 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.7 NC(=S)C1=CC=CS1 ACI-NI-00215 [0,0,0,0,0,0|2,1,0]=3 10 B8R1.7 NC(=S)C1=CSC=C1 ACI-NI-00216 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [0,0,0,0,0,0|2,0,1]=3 15 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [0,0,0,0,0,0|2,0,1]=3 18 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [0,0,0,0,0,0|2,0,1]=3 19 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 COC1=CCCN1 JM-08J-001 [1,0,0,0,0,0|1,0,2]=4 21 B7R1.1 O=CC1=CC=NO1 ACI-04961 [1,0,0,0,0,0|2,0,0]=3 22 B7R1.1 O=CC1=CC=NS1 ACI-NI-00774 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.1 OCC1=CN=CN1 ACI-01502 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [0,1,0,0,0,0|2,0,0]=3 25 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.11 N\C(=N/O)C1=CC=CS1 ACI-NI-00203 [0,1,0,0,0,0|2,0,1]=4 27 B9R1.11 O=C(CBr)C1=CC=CS1 ACI-01812 [0,1,0,0,0,0|1,0,0]=2 28 B9R1.11 O=C(CBr)C1=CSC=C1 ACI-05846 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.35 CC1=CC(C(=O)Cl)=NO1 ACI-00361 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.35 CC1=CC(C(=O)O)=NN1 ACI-NI-00015 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.35 CC1=CC(C(=O)O)=NO1 ACI-NI-00050 [0,1,0,0,0,0|2,0,1]=4 33 B9R1.35 CC1=CC(C(N)=O)=NO1 ACI-02392 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,1,0,0,0,0|2,0,0]=3 38 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,1,0,0,0,0|2,0,1]=4 41 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,1,0,0,0,0|2,0,1]=4 42 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,1,0,0,0,0|2,0,1]=4 43 B9R1.35 CN1C=NC(C(=O)O)=C1 ACI-00207 [0,1,0,0,0,0|2,0,1]=4 44 B9R1.35 CN1C=NC(C(N)=O)=C1 ACI-02544 [0,1,0,0,0,0|2,0,1]=4 45 B9R1.35 NC(=O)C1=CC(Br)=CO1 JM-10G-001 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,1,0,0,0,0|2,0,0]=3 50 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.35 O=C(O)C1=NNC(O)=C1 SB-04E-001 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.41 CC(C)C1=NC=CN1C RH-08B-001 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.41 CN1C=NC=C1C(=O)O ACI-00280 [0,1,0,0,0,0|2,0,0]=3 60 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,0,0,0,0,1|2,0,1]=4 63 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,0,0,0,0,1|2,0,1]=4 64 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,0,0,0,0,1|1,1,1]=4 66 B6R1.2 CC1=CC=NS1 ACI-NI-00772 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 CC1=NSC=C1 ACI-00539 [2,0,0,0,0,0|1,0,1]=4 68 B6R1.2 O=C1C=CSN1 ACI-04102 [2,0,0,0,0,0|1,0,0]=3 69 B6R1.2 OC1=CC=NN1 ACI-00667 [2,0,0,0,0,0|1,0,1]=4 70 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,1,0,0,0,0|1,0,1]=4 71 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,1,0,0,0,0|2,0,0]=4 72 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,1,0,0,0,0|2,0,0]=4 74 B8R1.1 CN1C=NC(C=O)=C1 JM-06D-001 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.1 O=CC1=CC(I)=CS1 ACI-02692 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.1 O=CC1=NC=C(Cl)S1 JM-09F-001 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,1,0,0,0,0|1,0,1]=4 78 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.11 CN1C=NC=C1C=O ACI-00286 [1,1,0,0,0,0|1,0,0]=3 80 B8R1.11 CN1N=CC=C1C=O ACI-00851 [1,1,0,0,0,0|1,0,0]=3 81 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [1,1,0,0,0,0|1,0,0]=3 82 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [0,1,0,0,0,1|0,0,1]=3 84 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [0,1,0,0,0,1|1,0,1]=4 86 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [0,1,0,0,0,1|1,0,1]=4 89 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [0,1,0,0,0,1|1,0,1]=4 90 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [0,1,0,0,0,1|1,0,1]=4 91 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [0,1,0,0,0,1|1,0,1]=4 92 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [0,1,0,0,0,1|1,0,1]=4 93 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [0,1,0,0,0,1|1,0,1]=4 94 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [0,1,0,0,0,1|1,0,1]=4 95 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [0,1,0,0,0,1|1,0,1]=4 96 B10R1.13 O=C(O)C1=CC=C(O)N=N1 JL-11I-004 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [0,1,0,0,0,1|1,0,1]=4 98 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [0,1,0,0,0,1|1,0,1]=4 99 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,1,0,0,0,1|0,0,1]=3 102 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,1,0,0,0,1|1,0,0]=3 103 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,1,0,0,0,1|0,0,1]=3 104 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,1,0,0,0,1|2,0,0]=4 105 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [0,1,0,0,0,1|1,0,1]=4 106 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,1,0,0,0,1|1,0,1]=4 107 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,1,0,0,0,1|1,0,1]=4 108 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,1,0,0,0,1|2,0,0]=4 109 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [0,1,0,0,0,1|1,0,1]=4 110 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,0,1|2,0,0]=4 111 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [0,1,0,0,0,1|1,0,1]=4 112 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [0,1,0,0,0,1|1,0,1]=4 113 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [0,1,0,0,0,1|2,0,0]=4 114 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [0,1,0,0,0,1|1,0,1]=4 115 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [0,1,0,0,0,1|2,0,0]=4 116 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,1,0,0,0,1|1,0,1]=4 117 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,1,0,0,0,1|2,0,0]=4 118 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [0,1,0,0,0,1|1,0,1]=4 119 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [0,1,0,0,0,1|1,0,1]=4 120 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [0,1,0,0,0,1|2,0,0]=4 121 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [0,1,0,0,0,1|1,0,1]=4 122 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [0,1,0,0,0,1|1,0,1]=4 123 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [0,1,0,0,0,1|1,0,1]=4 124 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,1,0,0,0,1|1,0,1]=4 125 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,1,0,0,0,1|0,0,1]=3 126 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,1,0,0,0,1|0,0,1]=3 127 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,1,0,0,0,1|0,0,1]=3 128 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,1,0,0,0,1|0,0,1]=3 129 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,1,0,0,0,1|1,0,1]=4 130 B10R1.113 N=C(N)C1=CC=CC(=O)N1 ACI-06427 [0,1,0,0,0,1|2,0,0]=4 131 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [0,1,0,0,0,1|1,0,1]=4 132 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [0,1,0,0,0,1|2,0,0]=4 133 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,0,1|2,0,0]=4 134 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [0,1,0,0,0,1|2,0,0]=4 135 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,1,0,0,0,1|1,0,1]=4 136 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,1,0,0,0,1|1,0,1]=4 137 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [0,1,0,0,0,1|2,0,0]=4 138 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,1,0,0,0,1|2,0,0]=4 139 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [0,1,0,0,0,1|1,0,1]=4 140 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [0,1,0,0,0,1|2,0,0]=4 141 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,1,0,0,0,1|1,0,1]=4 142 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,1,0,0,0,1|2,0,0]=4 143 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,1,0,0,0,1|2,0,0]=4 144 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,1,0,0,0,1|1,0,1]=4 145 B10R1.11 CCOC(=N)C1=CC=CS1 ACI-00584 [0,2,0,0,0,0|2,0,0]=4 146 B10R1.11 CCOC(=O)C1=CC=CN1 ACI-00655 [0,2,0,0,0,0|0,0,0]=2 147 B10R1.11 CCOC(=O)C1=CC=NN1 WS-04J-001 [0,2,0,0,0,0|1,0,0]=3 148 B10R1.11 CCOC(=O)C1=CN=CS1 ACI-00692 [0,2,0,0,0,0|2,0,0]=4 149 B10R1.11 N#CCC(=O)C1=CC=CN1 ACI-01087 [0,2,0,0,0,0|0,0,0]=2 150 B10R1.14 CC1=NNC(C(=O)NN)=C1 ACI-01465 [0,2,0,0,0,0|2,0,0]=4 151 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,2,0,0,0,0|0,0,0]=2 152 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,2,0,0,0,0|1,0,0]=3 153 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,2,0,0,0,0|1,0,0]=3 154 B10R1.14 COC(=O)C1=CN(C)C=N1 ACI-02533 [0,2,0,0,0,0|1,0,1]=4 155 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,2,0,0,0,0|2,0,0]=4 156 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,2,0,0,0,0|2,0,0]=4 157 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,2,0,0,0,0|1,0,1]=4 158 B10R1.14 O=C(CBr)C1=CC(Br)=NO1 ACI-06403 [0,2,0,0,0,0|2,0,0]=4 159 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [0,2,0,0,0,0|1,0,0]=3 160 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-001 [0,2,0,0,0,0|2,0,0]=4 161 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-003 [0,2,0,0,0,0|2,0,0]=4 162 B10R1.31 CC(=O)C1=CNC(C=O)=C1 ACI-01337 [0,2,0,0,0,0|2,0,0]=4 163 B10R1.58 O=C(O)C1=CC(Br)=C(Br)O1 ACI-04651 [0,2,0,0,0,0|2,0,0]=4 164 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ACI-NI-00045 [0,2,0,0,0,0|2,0,0]=4 165 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ACI-NI-00044 [0,2,0,0,0,0|2,0,0]=4 166 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 ACI-05352 [0,2,0,0,0,0|2,0,0]=4 167 B10R1.39 N#CC1=C(C(=O)O)SC=C1 ACI-04987 [0,2,0,0,0,0|2,0,0]=4 168 B10R1.192 CN1N=CC(N)=C1C(N)=O ACI-06414 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [0,0,1,1,0,0|2,0,0]=4 170 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [0,0,1,1,0,0|2,0,0]=4 171 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [0,0,1,1,0,0|2,0,0]=4 172 B8R1.4 NC1=NC(Cl)=CC=C1 ACI-00840 [0,0,1,1,0,0|2,0,0]=4 173 B8R1.5 NC1=CC=CN=C1Cl ACI-00447 [0,0,1,1,0,0|2,0,0]=4 174 B10R1.66 CC(=O)\C=C\C1=CSC=C1 RH-05D-001 [0,0,0,0,0,2|2,0,0]=4