0 B8R1.7 C=C(C)C1=NC=CS1 7H70-1-6X [0,0,0,0,0,0|1,0,2]=3 1 B8R1.7 CC(=O)C1=CCCC1 2417-1-0J [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 CC(=O)C1=COC=C1 2H17-1-31 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.7 CC(=O)C1=CSC=N1 8H17-1-0K [0,0,0,0,0,0|2,0,1]=3 4 B8R1.7 CC(=O)C1=NC=CS1 8H70-1-U9 [0,0,0,0,0,0|0,0,2]=2 5 B8R1.7 CC(=O)C1=NNC=C1 4H17-1-A9 [0,0,0,0,0,0|2,0,1]=3 6 B8R1.7 CC(=O)C1CCCC1 2217-1-0X [0,0,0,0,0,0|2,0,1]=3 7 B8R1.7 CC(=O)C1CCNC1 4H17-5-3H [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 CC(=O)N1C=CC=N1 4H17-1-A6 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.7 CC(=O)N1C=NC=N1 4H56-1-466 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.7 CC(C)C1=NC=CS1 7H70-1-6W [0,0,0,0,0,0|1,0,3]=4 11 B8R1.7 CC(C)C1=NCCO1 4H56-1-0HB [0,0,0,0,0,0|1,1,1]=3 12 B8R1.7 CC(N)C1=NC=CS1 7H33-5-00 [0,0,0,0,0,0|1,0,3]=4 13 B8R1.7 CN(N)C1=NCCN1 3H30-9-1A [0,0,0,0,0,0|3,0,0]=3 14 B8R1.7 C[C@@H](N)C1=NC=CS1 7H30-5-R0 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.7 C[C@H](N)C1=NC=CS1 7H30-5-S0 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.7 N=C(N)C1=NC=CS1 7H41-5-01 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.7 NC(=O)C1=CSC=N1 8H48-1-19 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.7 O=C(O)C1=CC=NS1 8H21-1-02 [0,0,0,0,0,0|3,0,1]=4 19 B8R1.7 O=C(O)C1=CNN=N1 4H58-1-FY [0,0,0,0,0,0|4,0,0]=4 20 B8R1.7 O=C(O)C1=NOC=N1 4H58-1-318 [0,0,0,0,0,0|3,0,1]=4 21 B8R1.7 O=C(O)C1=NON=C1 4H21-1-XJ [0,0,0,0,0,0|4,0,0]=4 22 B8R1.7 O=C(O)C1=NSC=C1 8H21-1-Z1 [0,0,0,0,0,0|3,0,1]=4 23 B8R1.7 O=C(O)C1=NSN=C1 8H70-1-7Y [0,0,0,0,0,0|4,0,0]=4 24 B8R1.7 O=C(O)C1CCCC1 2221-1-Y5 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.7 O=C(O)C1CCCN1 4H58-1-010 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.7 O=C(O)C1CCCO1 2H21-1-26 [0,0,0,0,0,0|2,1,1]=4 27 B8R1.7 O=C([O-])C1=CC=CS1 6H22-1-05 [0,0,0,0,0,0|2,0,2]=4 28 B8R1.7 [C@@H]1(C(=O)O)CCCN1 4H21-1-0P [0,0,0,0,0,0|2,0,2]=4 29 B7R1.1 C=CC1=NC=CS1 7H70-1-45 [1,0,0,0,0,0|0,0,3]=4 30 B7R1.1 CCC1=NC=CS1 8H70-1-8U [1,0,0,0,0,0|0,0,3]=4 31 B7R1.1 CNC1=NC=CS1 7H31-1-0B [1,0,0,0,0,0|1,0,2]=4 32 B7R1.1 CSC1=NCCN1 7H66-1-32 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.1 CSC1=NCCS1 7H66-H-05 [1,0,0,0,0,0|1,0,0]=2 34 B7R1.1 NNC1=NCCN1 3H39-5-21 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 NNC1=NCCS1 7H39-9-01 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.1 O=CC1=CC=NS1 8H15-1-02 [1,0,0,0,0,0|2,0,1]=4 37 B7R1.1 O=CC1=CCCC1 2415-1-03 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.1 O=CC1=CNC=N1 4H15-1-N5 [1,0,0,0,0,0|2,0,1]=4 39 B7R1.1 O=CC1=COC=N1 4H15-1-G3 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 O=CC1=CSN=N1 8H15-1-X0 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 O=CC1=NC=CO1 4H15-1-98 [1,0,0,0,0,0|0,1,2]=4 42 B7R1.1 O=CC1CCCC1 2215-1-01 [1,0,0,0,0,0|2,0,1]=4 43 B7R1.1 O=CC1CCCO1 2H15-1-0Q [1,0,0,0,0,0|1,1,1]=4 44 B9R1.11 CCC(=O)C1=CC=CS1 6H17-1-23 [0,1,0,0,0,0|1,0,2]=4 45 B9R1.11 CCC(=O)C1=NC=CS1 8H17-1-0G [0,1,0,0,0,0|0,0,2]=3 46 B9R1.11 CNC(=O)C1CCCN1 4H48-5-G1 [0,1,0,0,0,0|1,0,2]=4 47 B9R1.11 COC(=O)C1=CC=NS1 8H23-1-02 [0,1,0,0,0,0|2,0,1]=4 48 B9R1.11 COC(=O)C1=CCSC1 6H23-1-0W [0,1,0,0,0,0|3,0,0]=4 49 B9R1.11 COC(=O)C1=CNN=N1 4H21-1-HB [0,1,0,0,0,0|3,0,0]=4 50 B9R1.11 COC(=O)C1=NC=CS1 8H23-1-0J [0,1,0,0,0,0|0,0,2]=3 51 B9R1.11 COC(=O)C1CCCO1 2H23-1-0J [0,1,0,0,0,0|1,1,1]=4 52 B9R1.11 COC(=O)N1CCCC1 4H56-1-DL [0,1,0,0,0,0|3,0,0]=4 53 B9R1.11 CSC(=O)C1=CSC=N1 8H66-1-28 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.11 O=C(CCl)C1=CC=CS1 6H17-5-X1 [0,1,0,0,0,0|1,0,2]=4 55 B9R1.19 CC(C)(C)C1=NCCC1 3H32-1-8J [0,1,0,0,0,0|2,0,1]=4 56 B9R1.35 CC(=O)C1=CC(C)=CS1 6H17-1-13 [0,1,0,0,0,0|1,0,2]=4 57 B9R1.35 CC(=O)C1=CC(Cl)=CS1 6H17-5-0A [0,1,0,0,0,0|1,0,2]=4 58 B9R1.35 CC(=O)C1=CN=C(N)S1 8H30-1-04 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.35 CC(=O)C1=NC(C)=CS1 8H17-1-0L [0,1,0,0,0,0|0,0,2]=3 60 B9R1.35 CC(=O)C1=NN(C)C=C1 4H17-1-X3 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.35 CC(=O)C1=NOC(C)=C1 4H17-1-30 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.35 CC(=O)N1CC[C@@H](O)C1 4H56-1-PC [0,1,0,0,0,0|3,0,0]=4 63 B9R1.35 CC1=CSC(C(=O)O)=N1 P311-A-39 [0,1,0,0,0,0|1,0,2]=4 64 B9R1.41 CC(=O)C1=C(Br)C=CS1 6H17-9-14 [0,1,0,0,0,0|1,0,2]=4 65 B9R1.41 CC(=O)C1=C(C)C=CS1 6H17-1-12 [0,1,0,0,0,0|1,0,2]=4 66 B9R1.41 CC(=O)C1=C(N)C=CS1 8H56-1-12 [0,1,0,0,0,0|1,0,2]=4 67 B9R1.163 CC(=O)C1(O)CCCC1 2217-1-1M [0,1,0,0,0,0|2,0,1]=4 68 B7R0.4 CC(=O)CCCCCl 2117-5-05 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.4 CC(=O)COCCBr 2117-9-07 [0,0,1,0,0,0|1,1,1]=4 70 B7R0.4 CC(=O)COCCCl 2117-5-0B [0,0,1,0,0,0|1,1,1]=4 71 B7R0.4 CC(=O)NCCCN 4148-5-0D [0,0,1,0,0,0|2,0,1]=4 72 B7R0.4 CC(=O)NCCCO 4156-1-Y9 [0,0,1,0,0,0|2,1,0]=4 73 B7R0.4 CC(=O)OCCCCl 2123-5-0U [0,0,1,0,0,0|3,0,0]=4 74 B7R0.4 CC(=O)OCCCF 2123-3-1D [0,0,1,0,0,0|3,0,0]=4 75 B7R0.4 CCCCCC(C)=O 2117-1-14 [0,0,1,0,0,0|2,0,1]=4 76 B7R0.4 CCCCSC(C)=O 6166-1-0F [0,0,1,0,0,0|3,0,0]=4 77 B7R0.4 CCC\C=C\C(C)=O 2317-1-0B [0,0,1,0,0,0|2,0,0]=3 78 B7R0.5 CCOC(=O)C(=O)[O-] 2122-1-11 [0,0,1,0,0,0|2,1,0]=4 79 B7R0.5 CC\C=C(/C)C(=O)O 2321-1-0R [0,0,1,0,0,0|3,0,0]=4 80 B7R0.15 CCN(CC)C(C)=O 4148-1-0J [0,0,1,0,0,0|3,0,0]=4 81 B9R2.39 O=C1CC2CCC1C2 2217-1-39 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.18 CC(=O)C1CCC1 2217-1-0N [0,0,0,0,1,0|1,0,1]=3 83 B7R1.18 CC(=O)N1CCC1 4H48-1-35 [0,0,0,0,1,0|2,0,0]=3 84 B7R1.18 NC(=O)C1CCC1 4248-1-0H [0,0,0,0,1,0|2,0,1]=4 85 B7R1.18 O=C(O)C1CCC1 2221-1-10 [0,0,0,0,1,0|2,0,1]=4 86 B7R1.18 O=C(O)C1CCN1 4H57-1-98 [0,0,0,0,1,0|1,0,2]=4 87 B7R1.18 O=C(O)[C@@H]1CCN1 4H57-1-29 [0,0,0,0,1,0|1,0,2]=4 88 B9R1.6 CC(=O)C1=CC=CC=N1 4H17-1-Z0 [0,0,0,0,0,1|1,0,2]=4 89 B9R1.6 CC(=O)C1=CC=CN=C1 4H17-1-Y1 [0,0,0,0,0,1|1,0,2]=4 90 B9R1.6 CC(=O)C1=CC=NC=N1 4H17-1-35 [0,0,0,0,0,1|1,0,2]=4 91 B9R1.6 CC(=O)C1=CC=NN=C1 4H56-1-390 [0,0,0,0,0,1|2,0,1]=4 92 B9R1.6 CC(=O)C1=CNCCC1 4H17-1-2M [0,0,0,0,0,1|1,0,1]=3 93 B9R1.6 CC(=O)C1CCCCC1 2217-1-X2 [0,0,0,0,0,1|2,0,1]=4 94 B9R1.6 CC(=O)C1CCCCN1 4H17-1-9U [0,0,0,0,0,1|1,0,2]=4 95 B9R1.6 CC(=O)C1CCCNC1 4H17-5-3L [0,0,0,0,0,1|1,0,2]=4 96 B9R1.6 CC(=O)C1CCNCC1 4H17-5-3M [0,0,0,0,0,1|2,0,1]=4 97 B9R1.6 CC(=O)N1CCCCC1 4H48-1-0A1 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.6 CC(=O)N1CCOCC1 4H48-1-JK [0,0,0,0,0,1|3,0,0]=4 99 B9R1.6 NC(=O)C1=CNCCC1 4H48-1-6Q [0,0,0,0,0,1|2,0,1]=4 100 B9R1.6 O=C(O)C1=CCCCO1 2H21-1-0W [0,0,0,0,0,1|2,1,0]=4 101 B9R1.6 O=C(O)C1CCCSC1 6H66-1-41 [0,0,0,0,0,1|2,0,1]=4 102 B9R1.6 O=C(O)C1CSCCN1 8H21-5-01 [0,0,0,0,0,1|1,0,2]=4 103 B9R1.13 CC(=O)CC1=CC=CS1 6H17-1-43 [0,0,0,0,0,1|1,0,2]=4 104 B9R1.13 CC(=O)NC1CCCC1 4248-1-0F [0,0,0,0,0,1|2,0,1]=4 105 B9R1.13 O=C(O)C=C1CCCC1 2221-1-1B [0,0,0,0,0,1|3,0,0]=4 106 B9R1.13 O=C(O)CC1=NC=CS1 8H21-1-0N [0,0,0,0,0,1|1,0,2]=4 107 B6R0.4 CC(=O)CCCBr 2117-9-0A [1,0,1,0,0,0|1,0,1]=4 108 B6R0.4 CC(=O)OCCBr 2123-9-24 [1,0,1,0,0,0|1,1,0]=4 109 B6R0.4 CC(=O)OCCCl 2123-5-0M [1,0,1,0,0,0|1,1,0]=4 110 B6R0.4 CC(=O)SCC#N 8166-1-X0 [1,0,1,0,0,0|0,0,2]=4 111 B6R0.4 CC(C)=CCCBr 1300-9-10 [1,0,1,0,0,0|2,0,0]=4 112 B6R0.4 CCCCC(C)=O 2117-1-11 [1,0,1,0,0,0|1,0,1]=4 113 B6R0.4 CCCSC(C)=O 6166-1-0A [1,0,1,0,0,0|1,0,0]=3 114 B6R0.4 CC\C=C\C(=O)O 2321-1-X5 [1,0,1,0,0,0|2,0,0]=4 115 B6R0.4 CO\C=C\C(C)=O 2317-1-00 [1,0,1,0,0,0|2,0,0]=4 116 B6R0.4 CO\N=C\C(=O)O 4135-1-01 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.6 CCC\C=C\C=O 2315-1-08 [1,0,1,0,0,0|2,0,0]=4 118 B6R0.1 CCSC(=O)CC 6166-1-0B [1,0,1,0,0,0|1,0,1]=4 119 B6R0.3 CCC(S)C(C)=O 6161-1-00 [1,0,1,0,0,0|0,0,1]=3 120 B6R0.3 COC(=O)C(C)=O 2129-1-05 [1,0,1,0,0,0|1,1,0]=4 121 B6R0.3 C\C=C(/C)C(=O)Cl 2316-5-E0 [1,0,1,0,0,0|2,0,0]=4 122 B6R0.9 CN=C(NC)NC 3141-H-01 [1,0,1,0,0,0|2,0,0]=4 123 B6R0.9 C\N=C(/NC)SC 7167-H-01 [1,0,1,0,0,0|1,0,0]=3 124 B6R1.2 CC1=CCCC1 1400-1-16 [2,0,0,0,0,0|2,0,0]=4 125 B6R1.2 CC1=NC=CS1 7H70-1-53 [2,0,0,0,0,0|0,0,2]=4 126 B6R1.2 CC1=NCCC1 3H32-1-41 [2,0,0,0,0,0|1,0,0]=3 127 B6R1.2 CC1=NCCO1 4H56-1-Z8 [2,0,0,0,0,0|0,1,0]=3 128 B6R1.2 CC1=NNCC1 3H32-5-7H [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 CC1NCCS1 7H70-1-1N [2,0,0,0,0,0|0,0,2]=4 130 B6R1.2 NC1=NCCC1 3H33-5-0L [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 NC1=NCCO1 4H33-5-0M [2,0,0,0,0,0|1,1,0]=4 132 B6R1.2 NC1=NCCS1 7H30-1-00 [2,0,0,0,0,0|1,0,0]=3 133 B6R1.2 O=C1NCCO1 4H56-1-03K [2,0,0,0,0,0|0,1,1]=4 134 B6R1.2 SC1=NCCS1 7H61-1-0E [2,0,0,0,0,0|0,1,0]=3 135 B8R0.6 CCC\C=C\C(=O)OC 2323-1-0D [0,1,1,0,0,0|2,0,0]=4 136 B8R0.7 CSCCCOC(C)=O 6166-1-0K [0,1,1,0,0,0|2,0,0]=4 137 B8R0.3 CCOC(=O)C(=O)CC 2129-1-1C [0,1,1,0,0,0|1,1,0]=4 138 B8R0.18 CC(=O)C(=NO)C(C)=O 4145-1-04 [0,1,1,0,0,0|2,0,0]=4 139 B8R1.1 CSC1=NC(=O)CS1 8H70-1-2C [1,1,0,0,0,0|1,0,1]=4 140 B8R1.1 O=CC1=NC=C(Br)S1 8H15-9-01 [1,1,0,0,0,0|0,0,2]=4 141 B8R1.8 CCCC1=NCCO1 4H47-1-1E [1,1,0,0,0,0|0,1,1]=4 142 B8R1.8 CCOC1=NCCC1 4H07-1-6E [1,1,0,0,0,0|1,0,1]=4 143 B8R1.23 CC(=O)N1CC(O)C1 4H48-1-LQ [0,1,0,0,1,0|2,0,0]=4 144 B8R1.38 COC(=O)C1CCC1 2223-1-0N [0,1,0,0,1,0|1,0,1]=4 145 B8R1.38 COC(=O)C1CCN1 4H23-5-33 [0,1,0,0,1,0|0,0,2]=4 146 B8R1.38 COC(=O)[C@@H]1CCN1 4H23-5-S1 [0,1,0,0,1,0|0,0,2]=4 147 B8R1.38 COC(=O)[C@H]1CCN1 4H58-5-C4 [0,1,0,0,1,0|0,0,2]=4 148 B8R1.38 NCC(=O)N1CCC1 4H58-5-7F [0,1,0,0,1,0|2,0,0]=4 149 B8R1.38 O=C(CBr)N1CCC1 4H48-9-14 [0,1,0,0,1,0|2,0,0]=4 150 B10R1.15 COC(=O)C1=CCNCC1 4H23-5-5L [0,1,0,0,0,1|2,0,0]=4 151 B10R1.15 COC(=O)C1=COCCC1 2H23-1-68 [0,1,0,0,0,1|1,1,0]=4 152 B10R1.54 CC(=O)NC1=NC=C(Br)S1 8H70-9-12 [0,1,0,0,0,1|0,0,2]=4 153 B10R1.54 CC(=O)NC1=NC=C(C)S1 8H70-1-6H [0,1,0,0,0,1|0,0,2]=4 154 B10R1.11 CCOC(=O)C1=NC=CS1 8H23-1-0H [0,2,0,0,0,0|0,0,2]=4 155 B10R1.11 CCOC(=O)C1SCCS1 6H23-1-26 [0,2,0,0,0,0|1,0,1]=4 156 B10R1.14 COC(=O)C1=NC(C)=CS1 8H23-1-0M [0,2,0,0,0,0|0,0,2]=4 157 B10R1.149 COC(=O)C1=C(N)CCC1 4430-1-00 [0,2,0,0,0,0|2,0,0]=4 158 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 8H17-1-04 [0,2,0,0,0,0|0,0,2]=4 159 B8R1.22 O=C1C=CCCCC1 2417-1-0D [0,0,1,1,0,0|2,0,0]=4 160 B8R1.22 O=C1CCCCSC1 6H66-1-10 [0,0,1,1,0,0|1,0,1]=4 161 B8R1.5 O=C1CCCC=C1Br 2417-9-02 [0,0,1,1,0,0|2,0,0]=4 162 B6R1.11 CC(=O)C1CO1 1900-D-11 [0,0,0,0,2,0|0,1,1]=4 163 B6R1.11 NC(=O)C1CC1 4248-1-X1 [0,0,0,0,2,0|1,0,1]=4 164 B8R1.2 CSC1=NCCCS1 7H66-1-11 [1,0,0,0,0,1|1,0,0]=3 165 B8R1.2 CSC1=[NH+]CCCS1 7H66-H-06 [1,0,0,0,0,1|1,0,1]=4 166 B8R1.2 O=CC1=CCCCC1 2415-1-02 [1,0,0,0,0,1|2,0,0]=4 167 B8R1.2 O=CC1=CCCSC1 6H15-1-0B [1,0,0,0,0,1|1,0,0]=3 168 B8R1.2 O=CC1=COCCO1 2H10-1-Z6 [1,0,0,0,0,1|1,1,0]=4