0 B9R1.11 CCC(=O)C1=CC=CO1 Z274774438 [0,0,0,0,0,0|1,1,2]=4 1 B9R1.11 CCC(=O)C1=CSC=C1 Z513734000 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 CCC(=O)C1=NC=CN1 Z1198180339 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.11 CCC(=O)C1=NN=CN1 Z1259213773 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.11 CCC(=O)C1=NNC=C1 Z1513630191 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.11 CCC(=O)C1CCOC1 Z1138843357 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.11 CCC(N)C1=NC=CS1 Z803082570 [0,0,0,0,0,0|1,0,3]=4 8 B9R1.11 CNC(=O)C1=CC=CS1 Z32016662 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,0,0,0,0,0|2,0,2]=4 11 B9R1.11 COC(=O)C1=CC=NS1 Z1201624079 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.11 COC(=O)C1=CNN=N1 Z803145208 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.11 COC(=O)C1=NC=CN1 Z2680007886 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.11 COC(=O)C1=NC=CS1 Z1198724057 [0,0,0,0,0,0|1,0,2]=3 15 B9R1.11 COC(=O)C1=NNC=C1 Z445222298 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.11 COC(=O)C1=NOC=N1 Z1443585339 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.11 COC(=O)C1=NSC=C1 Z1255441912 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,0,0,0,0,0|1,0,2]=3 22 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,0,0,0,0,0|2,0,2]=4 23 B9R1.11 NCC(=O)C1=CN=CS1 Z2865546208 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.11 O=C(CCl)C1=CC=CS1 Z285150724 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.11 O=C(CCl)C1=CC=NS1 Z2408375220 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.11 O=C(CCl)C1=COC=N1 Z1255496154 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.11 O=C(CCl)C1=CSC=N1 Z1205658627 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.11 O=C(CCl)C1=CSN=N1 Z1386913829 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.11 O=C(CCl)C1=NOC=C1 Z1386913748 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.11 O=C(CCl)C1=NSC=C1 Z2689622695 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,0,0,0,0,0|2,1,1]=4 34 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.7 CC(=O)C1=CC=CS1 Z57127896 [1,0,0,0,0,0|1,0,2]=4 37 B8R1.7 CC(=O)C1=CNC=N1 Z1198183596 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 CC(=O)C1=CNN=N1 Z4098008860 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.7 CC(=O)C1=COC=N1 Z1255437997 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.7 CC(=O)C1=CSC=N1 Z1198162939 [1,0,0,0,0,0|2,0,1]=4 41 B8R1.7 CC(=O)C1=CSN=N1 Z1386913199 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 CC(=O)C1=NC=CN1 Z2768175711 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.7 CC(=O)C1=NC=CO1 Z1198173545 [1,0,0,0,0,0|0,1,2]=4 44 B8R1.7 CC(=O)C1=NC=CS1 Z1069877574 [1,0,0,0,0,0|0,0,2]=3 45 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 CC(=O)C1=NNC=N1 Z1216858052 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 CC(=O)C1=NSC=C1 Z1513630804 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [1,0,0,0,0,0|2,0,1]=4 50 B8R1.7 NC(=O)C1=NC=CS1 Z1198177216 [1,0,0,0,0,0|1,0,2]=4 51 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.8 CCCC1NCCS1 Z2144245754 [1,0,0,0,0,0|0,0,3]=4 59 B8R1.8 CCNC1=NC=CS1 Z86243266 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.8 CCNC1=NN=CS1 Z1082872548 [1,0,0,0,0,0|2,0,1]=4 61 B10R1.11 CCCC(=O)C1CCCC1 Z513735600 [0,1,0,0,0,0|2,0,1]=4 62 B10R1.11 CCNC(=O)C1=CNN=N1 Z755044716 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.11 CCNC(=O)N1CCCO1 Z1655325962 [0,1,0,0,0,0|2,1,0]=4 64 B10R1.11 CCOC(=O)C1=CN=CS1 Z293196510 [0,1,0,0,0,0|2,0,1]=4 65 B10R1.11 CCOC(=O)C1=CNN=N1 Z1118834497 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.11 CCOC(=O)C1=COC=N1 Z1083217768 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.11 CCOC(=O)C1=CSC=N1 Z851814010 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.11 CCOC(=O)C1=CSN=N1 Z1117774232 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.11 CCOC(=O)C1=NN=CS1 Z1255421060 [0,1,0,0,0,0|1,0,1]=3 70 B10R1.11 CCOC(=O)C1=NN=NN1 Z1198152908 [0,1,0,0,0,0|3,0,0]=4 71 B10R1.11 CCOC(=O)C1=NNC=N1 Z1124756565 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.11 CCOC(=O)C1=NOC=N1 Z1136435576 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.11 CCOC(=O)C1CCCC1 Z53835896 [0,1,0,0,0,0|2,0,1]=4 74 B10R1.11 CCOC(=O)C1CCCN1 Z361885340 [0,1,0,0,0,0|1,0,2]=4 75 B10R1.11 CCOC(=O)[C@H]1CCCN1 Z2327570058 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.11 CNCC(=O)N1CCCC1 Z104756708 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.11 NCCC(=O)N1CCCC1 Z1449745387 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.14 CCC(=O)C1=CC=C(S1)Cl Z275168444 [0,1,0,0,0,0|1,0,2]=4 79 B10R1.14 CCC(=O)C1=NN(C=C1)C Z1258920902 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.14 CCC(=O)N1CCC(C1)N Z934126228 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.14 CNC(=O)C1=NN=C(S1)N Z1415912500 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.23 CC(C)C(=O)C1CCCN1 Z3377950289 [0,1,0,0,0,0|1,0,2]=4 84 B10R1.23 CC(Cl)C(=O)N1CCCC1 Z56917970 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.149 CCC(=O)C1=C(C=CS1)Cl Z1412890361 [0,1,0,0,0,0|1,0,2]=4 86 B10R1.149 COC(=O)C1SCCC1=O Z1162449360 [0,1,0,0,0,0|2,0,1]=4 87 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,0,1,0,0,0|2,0,1]=4 88 B10R2.3 O=C1CCC12CCCC2 Z1222425050 [0,0,0,1,0,0|2,0,1]=4 89 B10R2.32 O=C1CCN2C1=NC=C2 Z1216843610 [0,0,0,1,0,0|1,0,2]=4 90 B10R2.178 O=C1CC[C@H]2CO[C@@H]1O2 Z1513597501 [0,0,0,1,0,0|1,1,1]=4 91 B8R1.38 CCC(=O)C1CCC1 Z1251352405 [0,0,0,0,1,0|1,0,1]=3 92 B8R1.38 COC(=O)C1CCC1 Z18374544 [0,0,0,0,1,0|2,0,1]=4 93 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,0,0,0,1,0|2,0,1]=4 94 B8R1.38 O=C(CCl)C1CCC1 Z1238572148 [0,0,0,0,1,0|2,0,1]=4 95 B8R1.38 O=C(CCl)N1CCC1 Z57039583 [0,0,0,0,1,0|3,0,0]=4 96 B10R1.15 CCC(=O)C1=CN=CN=C1 Z992240310 [0,0,0,0,0,1|2,0,1]=4 97 B10R1.15 CCC(=O)C1CCCCC1 Z513735268 [0,0,0,0,0,1|2,0,1]=4 98 B10R1.15 CCC(=O)C1CCOCC1 Z1178490123 [0,0,0,0,0,1|2,0,1]=4 99 B10R1.15 CCC(=O)N1CCNCC1 Z1262327445 [0,0,0,0,0,1|3,0,0]=4 100 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,0,0,0,0,1|2,0,1]=4 101 B10R1.15 COC(=O)C1SCCCS1 Z1255444891 [0,0,0,0,0,1|2,0,1]=4 102 B10R1.27 CCC(=O)CC1=CC=CS1 Z734152558 [0,0,0,0,0,1|1,0,2]=4 103 B10R1.27 CCC(=O)CC1CCCO1 Z513734576 [0,0,0,0,0,1|1,1,1]=4 104 B10R1.27 CCC(=O)NC1=NC=CS1 Z28173656 [0,0,0,0,0,1|0,0,2]=3 105 B10R1.27 CCC(=O)NC1=NCCS1 Z30009120 [0,0,0,0,0,1|0,0,0]=1 106 B10R1.27 CNC(=S)NC1=NCCS1 Z85923354 [0,0,0,0,0,1|1,1,0]=3 107 B10R1.27 COC(=O)/C=C\1/CCCN1 Z2186882659 [0,0,0,0,0,1|2,0,1]=4 108 B10R1.27 COC(=O)CC1=NC=CS1 Z803104020 [0,0,0,0,0,1|1,0,2]=4 109 B10R1.27 NCC(=O)NC1=NC=CS1 Z802671572 [0,0,0,0,0,1|1,0,2]=4 110 B10R1.27 O=C(CCl)NC1=NC=CS1 Z56887742 [0,0,0,0,0,1|1,0,2]=4 111 B10R1.27 O=C(CCl)NC1=NN=CS1 Z57000516 [0,0,0,0,0,1|2,0,1]=4 112 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,0,1,0,0,0|2,0,0]=4 113 B7R0.3 CCC(=O)NCCN Z1455674775 [1,0,1,0,0,0|1,0,1]=4 114 B7R0.3 CCCCC(=O)CC Z406378226 [1,0,1,0,0,0|1,0,1]=4 115 B7R0.3 CCCNC(=O)CC Z33030426 [1,0,1,0,0,0|1,0,1]=4 116 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,0,1,0,0,0|1,1,0]=4 117 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,0,1,0,0,0|0,1,0]=3 118 B7R0.10 COC(=O)C(C)SC Z821313006 [1,0,1,0,0,0|1,0,1]=4 119 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|1,0,1]=4 120 B7R1.1 CNC1=NCCN1 Z3072981652 [2,0,0,0,0,0|2,0,0]=4 121 B7R1.1 CNC1=NCCS1 Z744843656 [2,0,0,0,0,0|1,0,0]=3 122 B7R1.1 COC1=NCCC1 Z147641734 [2,0,0,0,0,0|2,0,0]=4 123 B7R1.1 CSC1=NCCN1 Z56790627 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.1 NCC1=NCCN1 Z2714784585 [2,0,0,0,0,0|2,0,0]=4 125 B7R1.1 O=CC1=CCCC1 Z1190318866 [2,0,0,0,0,0|2,0,0]=4 126 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,1,1,0,0,0|1,1,0]=4 127 B9R1.35 CC(=O)C1=NC=C(S1)C Z1136432109 [1,1,0,0,0,0|0,0,2]=4 128 B9R1.13 CC(=O)NC1=NCCS1 Z30009074 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.73 CCNC(=O)N1CCC1 Z56326478 [0,1,0,0,1,0|2,0,0]=4 130 B9R1.110 CC(Cl)C(=O)N1CCC1 Z381358542 [0,1,0,0,1,0|2,0,0]=4 131 B11R1.16 CCOC(=O)C1CSCCN1 Z234986368 [0,1,0,0,0,1|0,0,2]=4 132 B11R1.36 CC(O)C(=O)N1CCCSC1 Z3016309978 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.30 CCNC(=O)NC1=NC=CS1 Z44590595 [0,1,0,0,0,1|0,0,2]=4 134 B11R1.30 CCOC(=O)CC1=NCCS1 Z1889710750 [0,1,0,0,0,1|0,0,0]=2 135 B11R1.30 CNCC(=O)NC1=NC=CS1 Z607822496 [0,1,0,0,0,1|0,0,2]=4 136 B11R1.30 CSCC(=O)NC1=NCCS1 Z30008403 [0,1,0,0,0,1|0,0,0]=2 137 B11R1.30 CSCC(=O)NC1=NN=CS1 Z247484352 [0,1,0,0,0,1|1,0,1]=4 138 B11R1.35 CC(Cl)C(=O)NC1=NC=CS1 Z239813302 [0,1,0,0,0,1|0,0,2]=4 139 B11R1.39 CCC(=O)NC1=NC(=CS1)C Z30820160 [0,1,0,0,0,1|0,0,2]=4 140 B11R1.39 CCC(=O)NC1=NC=C(S1)C Z29325308 [0,1,0,0,0,1|0,0,2]=4 141 B11R1.39 CCC(=O)NC1=NN=C(S1)S Z86525649 [0,1,0,0,0,1|1,0,1]=4 142 B11R1.15 CCOC(=O)C1=NC(=NS1)C Z1480639443 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.15 CCOC(=O)C1=NC=C(S1)I Z1270528623 [0,2,0,0,0,0|0,0,2]=4 144 B11R1.15 CCOC(=O)C1=NN=C(S1)C Z1198163359 [0,2,0,0,0,0|1,0,1]=4 145 B11R1.15 CCOC(=O)C1=NN=C(S1)N Z1201622009 [0,2,0,0,0,0|1,0,1]=4 146 B11R1.77 CC(C)OC(=O)C1=NC=CS1 Z1894195126 [0,2,0,0,0,0|0,0,2]=4 147 B9R1.22 CCN1CC(SC1=N)C Z56872058 [0,0,1,1,0,0|2,0,0]=4 148 B9R2.3 C1CN2CCNC2=N1 Z3013893077 [1,0,0,1,0,0|2,0,0]=4 149 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,1,1,0|1,0,1]=4 150 B11R2.11 NC1CN(C1)C2=NCCS2 Z3277808492 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.22 CNC(=O)C1CC1 Z32016401 [0,0,0,0,2,0|1,0,1]=4 152 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [0,0,0,0,2,0|1,0,1]=4 153 B7R1.22 O=C(CO)C1CC1 Z1172087188 [0,0,0,0,2,0|1,0,1]=4 154 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [1,0,0,0,0,1|1,0,1]=4 155 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [1,0,0,0,0,1|2,0,0]=4