0 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,0,0,0,0,0|3,0,0]=3 2 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.10 NC1=NN=C(N1)C2=CN=CC=C2 Z119990322 [0,0,0,0,0,0|3,0,1]=4 4 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,0,0,0,0,0|3,0,1]=4 5 B13R2.10 O=C1C=C(CC1)C2=CC=CC=C2 Z1255492482 [0,0,0,0,0,0|2,0,1]=3 6 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 Z1862024981 [0,0,0,0,0,0|3,0,1]=4 7 B13R2.10 O=C1C=CN(N1)C2=NC=CN=C2 Z3032559571 [0,0,0,0,0,0|2,0,2]=4 8 B13R2.10 O=C1CC(=NN1)C2=CN=CC=C2 Z50145993 [0,0,0,0,0,0|3,0,1]=4 9 B13R2.10 O=C1CC(=NO1)C2=CN=CC=C2 Z1255458714 [0,0,0,0,0,0|3,0,1]=4 10 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [0,0,0,0,0,0|3,0,0]=3 11 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [0,0,0,0,0,0|2,0,0]=2 13 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [0,0,0,0,0,0|3,0,0]=3 14 B13R2.10 O=C1CCN(C1)C2=CC=CC=C2 Z234894137 [0,0,0,0,0,0|3,0,0]=3 15 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,0,0,0,0,0|2,0,0]=2 16 B13R2.10 O=C1N=C(NN1)C2=CN=CC=C2 Z2218556402 [0,0,0,0,0,0|2,0,2]=4 17 B13R2.10 O=C1NC(=CS1)C2=CN=CC=C2 Z409413444 [0,0,0,0,0,0|1,0,2]=3 18 B13R2.10 O=C1NC(=NO1)C2=CC=CC=C2 Z685594006 [0,0,0,0,0,0|3,0,1]=4 19 B13R2.10 O=C1NC(=NO1)C2=CN=CC=C2 Z685594020 [0,0,0,0,0,0|2,0,1]=3 20 B13R2.10 O=C1NC(=NO1)C2=NC=CN=C2 Z685594126 [0,0,0,0,0,0|3,0,1]=4 21 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,0,0,0,0,0|2,0,0]=2 22 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,0,0,0,0,0|2,0,0]=2 23 B13R2.10 O=C1SC=C(S1)C2=CN=CC=C2 Z223690206 [0,0,0,0,0,0|2,0,2]=4 24 B12R2.2 C1=CC(=CC=N1)C2CCCN2 Z238920298 [1,0,0,0,0,0|2,0,1]=4 25 B12R2.2 C1=CC(=CN=C1)C2=NC=CN2 Z728187794 [1,0,0,0,0,0|1,0,2]=4 26 B12R2.2 C1=CC(=CN=C1)C2=NCCN2 Z275361154 [1,0,0,0,0,0|1,0,2]=4 27 B12R2.2 C1=CC(=CN=C1)C2CCCN2 Z164706372 [1,0,0,0,0,0|0,0,1]=2 28 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,0,0,0|1,0,1]=3 29 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,0,0,0|3,0,0]=4 30 B12R2.2 C1=CN=C(C=N1)C2CCNC2 Z2310698899 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.20 CC1=CC=C(C=C1)C2CNC(=O)C2 Z1251360848 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.20 NC1=CC=C(C=C1)C2CCC(=O)N2 Z1258979785 [0,1,0,0,0,0|1,0,0]=2 33 B14R2.20 NC1=CC=C(C=C1)C2CNC(=O)C2 Z1255362676 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)Br Z1269215863 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.20 O=C1CC(CN1)C2=CC=C(C=C2)F Z1198162881 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)Br Z1269201959 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.20 O=C1CCC(N1)C2=CC=C(C=C2)F Z1255385257 [0,1,0,0,0,0|1,0,0]=2 38 B14R2.20 O=C1COC(C1)C2=CC=C(C=C2)Br Z2489377578 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.20 O=C1NC(CO1)C2=CC=C(C=C2)Br Z1266873491 [0,1,0,0,0,0|2,0,0]=3 40 B14R2.22 CC1=CC(=CC=C1)C2CNC(=O)C2 Z1251360847 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.22 NC1=CC(=CC=C1)C2CCC(=O)N2 Z1258979783 [0,1,0,0,0,0|1,0,0]=2 42 B14R2.22 NC1=CC(=CC=C1)C2CNC(=O)C2 Z1255401112 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)Cl Z1198266545 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.22 O=C1CC(CN1)C2=CC=CC(=C2)F Z963404492 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.22 O=C1CCN(C1)C2=CC=CC(=C2)Br Z415646330 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.256 CC1=C(C=CC=C1)C2CNC(=O)C2 Z979035286 [0,1,0,0,0,0|3,0,0]=4 47 B14R2.256 NC1=C(C=CC=C1)C2CCC(=O)N2 Z2692093593 [0,1,0,0,0,0|1,0,0]=2 48 B14R2.256 NC1=C(C=CC=C1)C2CNC(=O)C2 Z3242235283 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.256 O=C1NC(CO1)C2=C(C=CC=C2)I Z2182109334 [0,1,0,0,0,0|2,0,0]=3 50 B14R2.260 O=C1CC(CC1=O)C2=CC=CC=C2 Z1513607985 [0,1,0,0,0,0|2,0,1]=4 51 B14R2.260 O=C1NC(CC1O)C2=CC=CC=C2 Z1509163936 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [0,1,0,0,0,0|2,0,1]=4 53 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [0,1,0,0,0,0|2,0,1]=4 54 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 Z1263715001 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.2950 CC1(CNC(=O)C1)C2=CN=CC=C2 Z1270255641 [0,1,0,0,0,0|2,0,0]=3 56 B14R2.2950 CC1(CNC(=O)C1)C2=NC=CN=C2 Z1270255636 [0,1,0,0,0,0|3,0,0]=4 57 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 Z1509151367 [0,1,0,0,0,0|2,0,0]=3 58 B14R2.4514 CN1C(=O)CNC1C2=CC=CC=C2 Z731057346 [0,1,0,0,0,0|2,0,0]=3 59 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [0,0,1,0,0,0|2,0,1]=4 60 B12R1.27 C#CC(=O)NCC1=CC=CC=C1 Z1509142729 [0,0,1,0,0,0|1,0,2]=4 61 B12R1.27 C/N=C(\N)/NCC1=CN=CC=C1 Z1090000620 [0,0,1,0,0,0|2,0,0]=3 62 B12R1.27 C=CC(=O)NCC1=CC=CC=C1 Z56757233 [0,0,1,0,0,0|1,0,2]=4 63 B12R1.27 C=CC(=O)NCC1=NC=CN=C1 Z2515466923 [0,0,1,0,0,0|1,0,2]=4 64 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,0,1,0,0,0|2,0,1]=4 65 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,0,1,0,0,0|1,0,2]=4 66 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,0,1,0,0,0|3,0,0]=4 67 B12R1.27 CNC(=O)NCC1=NN=CC=C1 Z1881574487 [0,0,1,0,0,0|2,0,0]=3 68 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,0,1,0,0,0|3,0,0]=4 70 B12R1.27 COC(=O)CCC1=CN=CC=C1 Z1069406844 [0,0,1,0,0,0|2,0,0]=3 71 B12R1.27 COC(=O)CCC1=CN=CN=C1 Z1551943962 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.27 COC(=O)NNC1=CC=CC=C1 Z56755853 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,0,1,0,0,0|2,0,0]=3 75 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.27 NNC(=S)NCC1=CN=CC=C1 Z56887673 [0,0,1,0,0,0|2,1,0]=4 78 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.27 O=C(CCl)NCC1=CN=CC=C1 Z1787158603 [0,0,1,0,0,0|1,0,0]=2 81 B12R1.27 O=C(CCl)NCC1=NC=CC=C1 Z1954802789 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.27 O=C(CCl)NCC1=NC=CN=C1 Z1262483696 [0,0,1,0,0,0|2,0,0]=3 83 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,0,1,0,0,0|2,0,0]=3 84 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,0,1,0,0,0|2,0,0]=3 85 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [0,0,1,0,0,0|2,0,1]=4 86 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [0,0,1,0,0,0|2,0,1]=4 87 B12R1.30 COCCC(N)C1=CN=CC=C1 Z2768512544 [0,0,1,0,0,0|2,0,0]=3 88 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [0,0,1,0,0,0|2,0,1]=4 89 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [0,0,1,0,0,0|1,0,2]=4 90 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [0,0,1,0,0,0|2,0,1]=4 91 B12R1.107 CC(=O)CC(=O)C1=CN=CC=C1 Z57157128 [0,0,1,0,0,0|2,0,1]=4 92 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,0,1,0,0,0|3,0,0]=4 93 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,0,1,0,0,0|3,0,0]=4 94 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,0,1,0,0,0|3,0,0]=4 95 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,0,1,0,0,0|2,0,0]=3 96 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,0,1,0,0,0|2,1,0]=4 97 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,0,1,0,0,0|1,0,0]=2 98 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,0,1,0,0,0|3,0,0]=4 99 B12R1.252 CC(=O)NCCC1=NC=CN=C1 Z1509178080 [0,0,1,0,0,0|3,0,0]=4 100 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,0,1,0,0,0|1,0,1]=3 101 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,0,1,0,0,0|1,0,2]=4 102 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,0,1,0,0,0|3,0,0]=4 103 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,0,1,0,0,0|3,0,0]=4 104 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,0,1,0,0,0|2,0,0]=3 105 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,0,1,0,0,0|2,0,0]=3 106 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,0,1,0,0,0|2,0,0]=3 107 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,0,1,0,0,0|2,0,0]=3 108 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,0,1,0,0,0|1,0,0]=2 109 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,0,1,0,0,0|2,0,0]=3 110 B12R1.252 NC(=O)N/N=C/C1=CN=CC=C1 Z49560577 [0,0,1,0,0,0|2,0,1]=4 111 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,0,1,0,0,0|2,0,0]=3 112 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,0,1,0,0,0|1,0,0]=2 113 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,0,1,0,0,0|3,0,0]=4 114 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,0,1,0,0,0|3,0,0]=4 115 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,0,1,0,0,0|2,1,0]=4 116 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,0,1,0,0,0|2,0,0]=3 117 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,0,1,0,0,0|3,0,0]=4 118 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,0,1,0,0,0|3,0,0]=4 119 B12R1.252 O=C(O)CCCC1=NC=CN=C1 Z1262554933 [0,0,1,0,0,0|2,0,0]=3 120 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,0,1,0,0,0|3,0,0]=4 121 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,0,1,0,0,0|3,0,0]=4 122 B12R1.252 O=C(O)CCOC1=CN=CC=C1 Z336080826 [0,0,1,0,0,0|2,0,0]=3 123 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,0,1,0,0,0|3,0,0]=4 124 B12R1.252 O=C(O)CNCC1=CN=CC=C1 Z372854000 [0,0,1,0,0,0|2,0,0]=3 125 B12R1.252 O=C(O)COCC1=CN=CC=C1 Z1262555665 [0,0,1,0,0,0|2,0,0]=3 126 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,0,1,0,0,0|3,0,0]=4 127 B12R1.252 O=C(O)CSCC1=CN=CC=C1 Z228589228 [0,0,1,0,0,0|2,0,0]=3 128 B12R2.6 O=C1CC(CN1)C2=CC=CO2 Z1251360533 [0,0,0,0,1,0|3,0,0]=4 129 B12R2.6 O=C1CCC(N1)C2=CC=CO2 Z1509149411 [0,0,0,0,1,0|1,0,0]=2 130 B12R2.6 O=C1CCC(N1)C2=CC=CS2 Z1251362246 [0,0,0,0,1,0|1,0,0]=2 131 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,0,0,0,1,0|2,0,0]=3 132 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,0,0,0,1,0|1,0,0]=2 133 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,0,1,0|2,0,1]=4 134 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,0,1,0|2,0,1]=4 135 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,0,0,0,1,0|2,0,0]=3 136 B14R2.19 NC1=NCC(N1)CC2=CC=CC=C2 Z1331044122 [0,0,0,0,0,1|3,0,0]=4 137 B14R2.19 O=C1CC(CN1)CC2=CC=CC=C2 Z1198235320 [0,0,0,0,0,1|3,0,0]=4 138 B14R2.19 O=C1CCC(N1)CC2=CC=CC=C2 Z1270257271 [0,0,0,0,0,1|1,0,0]=2 139 B14R2.19 O=C1CCC(O1)CC2=CC=CC=C2 Z1342098372 [0,0,0,0,0,1|2,0,0]=3 140 B14R2.19 O=C1NCC(O1)CC2=CC=CC=C2 Z1255419800 [0,0,0,0,0,1|3,0,0]=4 141 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 Z1222283104 [0,0,0,0,0,1|2,0,0]=3 142 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,0,0,1|2,0,1]=4 143 B14R2.21 O=C1C=C(CCC1)C2=CC=CC=C2 Z1201617608 [0,0,0,0,0,1|2,0,1]=4 144 B14R2.21 O=C1C=C(CCC1)C2=CN=CC=C2 Z1258851299 [0,0,0,0,0,1|1,0,1]=3 145 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,0,0,1|2,0,0]=3 146 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,0,0,1|1,0,0]=2 147 B14R2.21 O=C1CNCC(N1)C2=CC=CC=C2 Z2867580643 [0,0,0,0,0,1|1,0,0]=2 148 B14R2.21 O=C1COCC(N1)C2=CC=CC=C2 Z1255426729 [0,0,0,0,0,1|1,0,0]=2 149 B14R2.21 O=C1CSCC(N1)C2=CC=CC=C2 Z1509259667 [0,0,0,0,0,1|1,0,0]=2 150 B14R2.68 CC1CCC(NC1)C2=CC=CC=C2 Z1230089920 [0,0,0,0,0,1|2,0,1]=4 151 B14R2.68 NC1=NCC(CN1)C2=CC=CC=C2 Z3300701118 [0,0,0,0,0,1|3,0,0]=4 152 B14R2.68 O=C1C=CC(=NN1)C2=CN=CC=C2 Z2687549759 [0,0,0,0,0,1|0,0,3]=4 153 B14R2.68 O=C1CCC(=NN1)C2=CC=CC=C2 Z49527497 [0,0,0,0,0,1|1,0,1]=3 154 B14R2.68 O=C1CCC(CC1)C2=CC=CC=C2 Z56922122 [0,0,0,0,0,1|2,0,0]=3 155 B14R2.68 O=C1CCC(CC1)C2=NC=CC=C2 Z1255437389 [0,0,0,0,0,1|3,0,0]=4 156 B14R2.68 O=C1CCN(CC1)C2=CC=CC=C2 Z295882148 [0,0,0,0,0,1|3,0,0]=4 157 B14R2.68 O=C1CCN(CC1)C2=NC=CN=C2 Z31113869 [0,0,0,0,0,1|3,0,0]=4 158 B14R2.68 O=C1CCN(CC1)C2=NN=CC=C2 Z991530766 [0,0,0,0,0,1|3,0,0]=4 159 B14R2.68 O=C1CSC(CN1)C2=CC=CC=C2 Z1509188312 [0,0,0,0,0,1|2,0,0]=3 160 B11R1.12 CCC(C=O)C1=CC=CC=C1 Z1079132778 [1,0,1,0,0,0|1,0,0]=3 161 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,0,1,0,0,0|2,0,0]=4 162 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [1,0,1,0,0,0|0,0,1]=3 163 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,0,1,0,0,0|1,0,1]=4 164 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,1,0,0,0|1,0,1]=4 165 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,0,1,0,0,0|0,0,1]=3 166 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,1,0,0,0|1,0,1]=4 167 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [1,0,1,0,0,0|1,0,0]=3 168 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [1,0,1,0,0,0|2,0,0]=4 169 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [1,0,1,0,0,0|2,0,0]=4 170 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,0,1,0,0,0|1,0,1]=4 171 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,0,1,0,0,0|1,0,0]=3 172 B11R1.91 CC(=O)NCC1=NC=CC=C1 Z324553036 [1,0,1,0,0,0|2,0,0]=4 173 B11R1.91 CC(=O)NNC1=CC=CC=C1 Z27767717 [1,0,1,0,0,0|2,0,0]=4 174 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,0,1,0,0,0|2,0,0]=4 175 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [1,0,1,0,0,0|1,0,1]=4 176 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,0,1,0,0,0|2,0,0]=4 177 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [1,0,1,0,0,0|1,0,0]=3 178 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [1,0,1,0,0,0|2,0,0]=4 179 B13R1.405 CCNC(C1=CN=CC=C1)C(C)C Z513800308 [0,1,1,0,0,0|1,0,1]=4 180 B13R1.713 CC(=O)NC(CO)C1=CC=CC=C1 Z1097082934 [0,1,1,0,0,0|2,0,0]=4 181 B13R1.713 CCC(CC(=O)O)C1=CC=CC=C1 Z352782018 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.11 CC(NC(=O)CCl)C1=CC=CC=C1 Z56891403 [0,1,1,0,0,0|2,0,0]=4 183 B13R1.11 CCC(=O)CC(=O)C1=CN=CC=C1 Z359504704 [0,1,1,0,0,0|1,0,1]=4 184 B13R1.11 CCC(=O)NC(C)C1=CC=CC=C1 Z31450130 [0,1,1,0,0,0|1,0,0]=3 185 B13R1.11 C[C@@H](NC(=O)CCl)C1=CC=CC=C1 Z1165166439 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.14 CC1=CC=C(C=C1)CNC(=O)CCl Z56886473 [0,1,1,0,0,0|2,0,0]=4 187 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,1,1,0,0,0|2,0,0]=4 188 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)Cl Z56896171 [0,1,1,0,0,0|2,0,0]=4 189 B13R1.14 O=C(CCl)NCC1=CC=C(C=C1)F Z56822453 [0,1,1,0,0,0|2,0,0]=4 190 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)Cl Z199532110 [0,1,1,0,0,0|2,0,0]=4 191 B13R1.14 O=C(CO)NCC1=CC=C(C=C1)F Z431953222 [0,1,1,0,0,0|2,0,0]=4 192 B13R1.15 CC1=CC(=CC=C1)CNC(=O)CCl Z600514202 [0,1,1,0,0,0|2,0,0]=4 193 B13R1.15 COC(=O)NCC1=CC(=CC=C1)O Z728883650 [0,1,1,0,0,0|2,0,0]=4 194 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Br Z381548074 [0,1,1,0,0,0|2,0,0]=4 195 B13R1.15 O=C(CCl)NCC1=CC(=CC=C1)Cl Z56346814 [0,1,1,0,0,0|2,0,0]=4 196 B13R1.15 O=C(CCl)NCC1=CC=CC(=C1)F Z362629546 [0,1,1,0,0,0|2,0,0]=4 197 B13R1.42 C/C=C/C(=O)NCC1=CC=CC=C1 Z27749594 [0,1,1,0,0,0|1,0,1]=4 198 B13R1.42 CC#CC(=O)NCC1=NC=CN=C1 Z3952174264 [0,1,1,0,0,0|1,0,1]=4 199 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,1,1,0,0,0|2,0,0]=4 200 B13R1.42 CCCC(=O)NCC1=NC=CN=C1 Z2515468723 [0,1,1,0,0,0|1,0,0]=3 201 B13R1.42 CCCC(=O)NCC1=NN=CC=C1 Z1882795472 [0,1,1,0,0,0|1,0,0]=3 202 B13R1.42 CCNC(=O)NCC1=CC=CC=C1 Z44585735 [0,1,1,0,0,0|1,0,0]=3 203 B13R1.42 CCNC(=O)OCC1=CC=CC=C1 Z32025015 [0,1,1,0,0,0|2,0,0]=4 204 B13R1.42 CCOC(=O)COC1=CN=CC=C1 Z927645634 [0,1,1,0,0,0|2,0,0]=4 205 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 Z31478129 [0,1,1,0,0,0|1,0,0]=3 206 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 Z46191183 [0,1,1,0,0,0|1,0,0]=3 207 B13R1.42 COCC(=O)NCC1=CC=CC=C1 Z31478538 [0,1,1,0,0,0|1,0,0]=3 208 B13R1.42 CSCC(=O)NCC1=CC=CC=C1 Z27748784 [0,1,1,0,0,0|1,0,0]=3 209 B13R1.42 CSCC(=O)NCC1=CN=CC=C1 Z30172185 [0,1,1,0,0,0|0,0,0]=2 210 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 Z56809221 [0,1,1,0,0,0|1,0,1]=4 211 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [0,1,1,0,0,0|1,0,0]=3 212 B13R1.42 NCCC(=O)NCC1=CC=NC=C1 Z359354526 [0,1,1,0,0,0|2,0,0]=4 213 B13R1.42 NCCC(=O)NCC1=CN=CC=C1 Z803145540 [0,1,1,0,0,0|0,0,0]=2 214 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 Z1455721115 [0,1,1,0,0,0|2,0,0]=4 215 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,1,1,0,0,0|2,0,0]=4 216 B13R1.135 C=CC(=O)N(C)CC1=CN=CC=C1 Z440635112 [0,1,1,0,0,0|0,0,2]=4 217 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CCl Z56862395 [0,1,1,0,0,0|2,0,0]=4 218 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,1,1,0,0,0|2,0,0]=4 219 B13R1.135 CN(CC1=CN=CC=C1)C(=O)CN Z1101435051 [0,1,1,0,0,0|1,0,0]=3 220 B13R1.135 CNC(=O)N(C)CC1=CC=CC=C1 Z177087670 [0,1,1,0,0,0|2,0,0]=4 221 B13R1.254 CCS(=O)(=O)NCC1=CN=CC=C1 Z53825214 [0,1,1,0,0,0|1,0,0]=3 222 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [0,1,1,0,0,0|2,0,0]=4 223 B13R1.351 CC(C)C(=O)NCC1=CN=CC=C1 Z30172905 [0,1,1,0,0,0|0,0,0]=2 224 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [0,1,1,0,0,0|2,0,0]=4 225 B13R1.351 CC(Cl)C(=O)NCC1=CC=CC=C1 Z56914802 [0,1,1,0,0,0|1,0,0]=3 226 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 Z234893901 [0,1,1,0,0,0|1,0,0]=3 227 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [0,1,1,0,0,0|2,0,0]=4 228 B13R1.351 CC(O)C(=O)NCC1=CC=CC=C1 Z798740028 [0,1,1,0,0,0|1,0,0]=3 229 B13R1.351 CC(O)C(=O)NCC1=NC=CC=C1 Z1251361039 [0,1,1,0,0,0|2,0,0]=4 230 B13R1.351 CN(C)C(=O)CCC1=CN=CC=C1 Z135504774 [0,1,1,0,0,0|2,0,0]=4 231 B13R1.351 CN(C)C(=O)NCC1=CN=CC=C1 Z166703568 [0,1,1,0,0,0|1,0,0]=3 232 B13R1.351 O=C(NCC1=CC=CC=C1)C(F)Cl Z1509169538 [0,1,1,0,0,0|2,0,0]=4 233 B13R1.528 CC1=C(C=CC=C1)CNC(=O)CCl Z147651714 [0,1,1,0,0,0|2,0,0]=4 234 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)C Z52337400 [0,1,1,0,0,0|1,0,0]=3 235 B13R1.528 CCC(=O)NCC1=C(C=CC=C1)F Z29857782 [0,1,1,0,0,0|1,0,0]=3 236 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)Cl Z56896258 [0,1,1,0,0,0|2,0,0]=4 237 B13R1.528 O=C(CCl)NCC1=C(C=CC=C1)F Z62500003 [0,1,1,0,0,0|2,0,0]=4 238 B13R1.528 O=C(CO)NCC1=C(C=CC=C1)Cl Z431953010 [0,1,1,0,0,0|2,0,0]=4 239 B13R1.18 COCCC(N)C1=CC(=CN=C1)F Z5054786641 [0,1,1,0,0,0|2,0,0]=4 240 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,1,1,0,0,0|2,0,0]=4 241 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,1,1,0,0,0|1,0,0]=3 242 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 Z838955798 [0,1,1,0,0,0|1,0,1]=4 243 B13R1.132 CC(=O)NC(C)C1=CC=C(C=C1)Br Z28030902 [0,1,1,0,0,0|1,0,0]=3 244 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Br Z355054578 [0,1,1,0,0,0|1,0,0]=3 245 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)Cl Z27637837 [0,1,1,0,0,0|1,0,0]=3 246 B13R1.147 CC(=O)NC(C)C1=CC(=CC=C1)F Z28545555 [0,1,1,0,0,0|1,0,0]=3 247 B13R1.201 CC(=O)NC(C)C1=C(C=CC=C1)Br Z28116257 [0,1,1,0,0,0|1,0,0]=3 248 B13R1.352 CC(NS(=O)(=O)C)C1=CC=CC=C1 Z53825003 [0,1,1,0,0,0|2,0,0]=4 249 B13R1.352 CC(NS(=O)(=O)C)C1=CN=CC=C1 Z133804144 [0,1,1,0,0,0|1,0,0]=3 250 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,1,1,0,0,0|2,0,0]=4 251 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,1,1,0,0,0|2,0,0]=4 252 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,1,1,0,0,0|2,0,0]=4 253 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,1,1,0,0,0|2,0,0]=4 254 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,1,1,0,0,0|2,0,0]=4 255 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,1,1,0,0,0|2,0,0]=4 256 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,1,1,0,0,0|2,0,0]=4 257 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,1,1,0,0,0|2,0,0]=4 258 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,1,1,0,0,0|2,0,0]=4 259 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,1,1,0,0,0|2,0,0]=4 260 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,1,1,0,0,0|2,0,0]=4 261 B13R1.149 O=C(O)CSCC1=CC(=CN=C1)F Z4359812984 [0,1,1,0,0,0|2,0,0]=4 262 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,1,1,0,0,0|2,0,0]=4 263 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,1,1,0,0,0|2,0,0]=4 264 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,1,1,0,0,0|2,0,0]=4 265 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,1,1,0,0,0|2,0,0]=4 266 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,1,1,0,0,0|2,0,0]=4 267 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,1,1,0,0,0|2,0,0]=4 268 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,1,1,0,0,0|2,0,0]=4 269 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,1,1,0,0,0|2,0,0]=4 270 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,1,1,0,0,0|2,0,0]=4 271 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,1,1,0,0,0|2,0,0]=4 272 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,1,1,0,0,0|2,0,0]=4 273 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,1,1,0,0,0|2,0,0]=4 274 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,1,1,0,0,0|2,0,0]=4 275 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,1,1,0,0,0|2,0,0]=4 276 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,1,1,0,0,0|2,0,0]=4 277 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,1,1,0,0,0|2,0,0]=4 278 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,1,1,0,0,0|2,0,0]=4 279 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,1,1,0,0,0|2,0,0]=4 280 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,1,1,0,0,0|2,0,0]=4 281 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,1,1,0,0,0|2,0,0]=4 282 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,1,1,0,0,0|2,0,0]=4 283 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,1,1,0,0,0|2,0,0]=4 284 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,1,1,0,0,0|2,0,0]=4 285 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,1,1,0,0,0|2,0,0]=4 286 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,1,1,0,0,0|2,0,0]=4 287 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,1,1,0,0,0|2,0,0]=4 288 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,1,1,0,0,0|2,0,0]=4 289 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,1,1,0,0,0|2,0,0]=4 290 B13R1.513 O=C(O)CCCC1=NN=C(C=C1)Cl Z1416161900 [0,1,1,0,0,0|2,0,0]=4 291 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 Z2752927061 [0,1,1,0,0,0|2,0,0]=4 292 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 Z234895191 [0,1,1,0,0,0|2,0,0]=4 293 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,1,1,0,0,0|1,0,0]=3 294 B13R1.718 NNC(=O)CCOC1=CC=CC=C1 Z58982234 [0,1,1,0,0,0|2,0,0]=4 295 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,1,1,0,0,0|1,0,0]=3 296 B13R1.718 O=C(CCOC1=CC=CC=C1)NO Z59182364 [0,1,1,0,0,0|2,0,0]=4 297 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 Z1262478900 [0,1,1,0,0,0|2,0,0]=4 298 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,1,1,0,0,0|2,0,0]=4 299 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [1,1,0,0,0,0|1,0,1]=4 300 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [1,1,0,0,0,0|1,0,1]=4 301 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [1,1,0,0,0,0|1,0,1]=4 302 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [1,1,0,0,0,0|1,0,1]=4 303 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [1,1,0,0,0,0|1,0,1]=4 304 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [1,1,0,0,0,0|1,0,1]=4 305 B13R2.13 BrC1=CC(=CC=C1)C2CCCN2 Z295459704 [1,1,0,0,0,0|1,0,1]=4 306 B13R2.13 CC1=CC(=CC=C1)C2CCCN2 Z281773884 [1,1,0,0,0,0|1,0,1]=4 307 B13R2.13 ClC1=CC(=CC=C1)C2CCCN2 Z234895217 [1,1,0,0,0,0|1,0,1]=4 308 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 Z752370692 [1,1,0,0,0,0|1,0,1]=4 309 B13R2.13 FC1=CC(=CN=C1)C2CCNC2 Z2235682540 [1,1,0,0,0,0|2,0,0]=4 310 B13R2.13 IC1=CC(=CC=C1)C2CCCN2 Z362776598 [1,1,0,0,0,0|1,0,1]=4 311 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [1,1,0,0,0,0|0,0,1]=3 312 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [1,1,0,0,0,0|1,0,1]=4 313 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [1,1,0,0,0,0|2,0,0]=4 314 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [1,1,0,0,0,0|1,0,1]=4 315 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [1,1,0,0,0,0|1,0,1]=4 316 B13R2.18 BrC1=C(C=CC=C1)C2CCCN2 Z1407007541 [1,1,0,0,0,0|1,0,1]=4 317 B13R2.18 ClC1=C(C=CC=C1)C2CCCN2 Z281773778 [1,1,0,0,0,0|1,0,1]=4 318 B13R2.18 IC1=C(C=CC=C1)C2CCCN2 Z281773830 [1,1,0,0,0,0|1,0,1]=4 319 B13R2.18 OC1=C(C=CC=C1)C2C=CCC2 Z56872352 [1,1,0,0,0,0|2,0,0]=4 320 B13R2.147 CC1=CC=C(C=C1)C2CC(=O)N2 Z1238837490 [0,1,0,0,1,0|1,0,0]=3 321 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)Br Z385459408 [0,1,0,0,1,0|2,0,0]=4 322 B13R2.147 O=C1CC(C1)C2=CC=C(C=C2)F Z444338412 [0,1,0,0,1,0|2,0,0]=4 323 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Br Z1238837631 [0,1,0,0,1,0|1,0,0]=3 324 B13R2.147 O=C1CC(N1)C2=CC=C(C=C2)Cl Z1198168152 [0,1,0,0,1,0|1,0,0]=3 325 B13R2.151 CC1=CC(=CC=C1)C2CC(=O)C2 Z444344078 [0,1,0,0,1,0|2,0,0]=4 326 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)Br Z1238837585 [0,1,0,0,1,0|1,0,0]=3 327 B13R2.151 O=C1CC(N1)C2=CC=CC(=C2)O Z3227055565 [0,1,0,0,1,0|1,0,0]=3 328 B13R2.216 CC1=C(C=CC=C1)C2CC(=O)C2 Z444348616 [0,1,0,0,1,0|2,0,0]=4 329 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)Cl Z444350246 [0,1,0,0,1,0|2,0,0]=4 330 B13R2.216 O=C1CC(C1)C2=C(C=CC=C2)F Z444349348 [0,1,0,0,1,0|2,0,0]=4 331 B13R2.216 O=C1CC(N1)C2=C(C=CC=C2)Cl Z1198168153 [0,1,0,0,1,0|1,0,0]=3 332 B13R2.238 CC1(CC(=O)C1)C2=CC=CC=C2 Z1123697907 [0,1,0,0,1,0|2,0,0]=4 333 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,1,0,0,1,0|2,0,0]=4 334 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [0,1,0,0,1,0|1,0,0]=3 335 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [0,1,0,0,1,0|1,0,1]=4 336 B13R2.146 NC1=CC=C(C=C1)N2CCC2=O Z1921840663 [0,1,0,0,1,0|2,0,0]=4 337 B13R2.146 O=C1CCN1C2=CC=C(C=C2)Br Z1486026456 [0,1,0,0,1,0|2,0,0]=4 338 B13R2.146 O=C1CCN1C2=CC=C(C=C2)O Z1513916448 [0,1,0,0,1,0|2,0,0]=4 339 B13R2.150 NC1=CC(=CC=C1)N2CCC2=O Z1868058629 [0,1,0,0,1,0|2,0,0]=4 340 B13R2.150 O=C1CCN1C2=CC=CC(=C2)O Z1513884651 [0,1,0,0,1,0|2,0,0]=4 341 B13R2.215 O=C1CCN1C2=C(C=CC=C2)Br Z1982504371 [0,1,0,0,1,0|2,0,0]=4 342 B15R2.98 O=C1CCC(O1)CC2=CC=C(C=C2)O Z1342098214 [0,1,0,0,0,1|2,0,0]=4 343 B15R2.98 O=C1N[C@@H](CO1)CC2=CC=C(C=C2)O Z220564166 [0,1,0,0,0,1|2,0,0]=4 344 B15R2.1115 O=C1CCC(O1)CC2=CC=CC(=C2)O Z1342095237 [0,1,0,0,0,1|2,0,0]=4 345 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [0,1,0,0,0,1|2,0,0]=4 346 B15R2.27 O=C1CC(CC(=O)N1)C2=CN=CC=C2 Z1095368870 [0,1,0,0,0,1|1,0,1]=4 347 B15R2.27 O=C1CC(NC(=O)N1)C2=CC=CC=C2 Z147646946 [0,1,0,0,0,1|1,0,1]=4 348 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)Br Z2733524040 [0,1,0,0,0,1|1,0,0]=3 349 B15R2.28 O=C1CCCC(N1)C2=CC=C(C=C2)O Z2732663057 [0,1,0,0,0,1|1,0,0]=3 350 B15R2.30 NC1=CC(=CC=C1)C2CCCC(=O)N2 Z2754870257 [0,1,0,0,0,1|1,0,0]=3 351 B15R2.30 O=C1CCCC(C1)C2=CC=CC(=C2)Cl Z1233207245 [0,1,0,0,0,1|2,0,0]=4 352 B15R2.30 O=C1CN(CCN1)C2=CN=CC(=C2)Br Z1272137659 [0,1,0,0,0,1|2,0,0]=4 353 B15R2.33 CN1CCC(=O)CC1C2=CC=CC=C2 Z1198183724 [0,1,0,0,0,1|2,0,0]=4 354 B15R2.33 N[C@@H]1CCC(=O)N[C@H]1C2=CC=CC=C2 Z1262629795 [0,1,0,0,0,1|1,0,0]=3 355 B15R2.1113 CC1(COCC(=O)N1)C2=CC=CC=C2 Z1551950376 [0,1,0,0,0,1|1,0,0]=3 356 B15R2.3 CC1=CC=C(C=C1)C2=NNC(=O)CC2 Z49527486 [0,1,0,0,0,1|1,0,1]=4 357 B15R2.3 CC1=CC=C(C=C1)C2CCC(=O)CC2 Z1255358168 [0,1,0,0,0,1|2,0,0]=4 358 B15R2.3 NC1=CC=C(C=C1)C2=NNC(=O)CC2 Z1255435170 [0,1,0,0,0,1|1,0,1]=4 359 B15R2.3 NC1=CC=C(C=C1)C2CCC(=O)NC2 Z3242240091 [0,1,0,0,0,1|1,0,0]=3 360 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)Br Z49527506 [0,1,0,0,0,1|1,0,1]=4 361 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)Cl Z49527483 [0,1,0,0,0,1|1,0,1]=4 362 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)F Z48957541 [0,1,0,0,0,1|1,0,1]=4 363 B15R2.3 O=C1CCC(=NN1)C2=CC=C(C=C2)I Z49527493 [0,1,0,0,0,1|1,0,1]=4 364 B15R2.3 O=C1CCC(CC1)C2=CC=C(C=C2)F Z1198221787 [0,1,0,0,0,1|2,0,0]=4 365 B15R2.96 CC1(CCC(=O)CC1)C2=CC=CC=C2 Z1255435762 [0,1,0,0,0,1|2,0,0]=4 366 B15R2.96 CC1(CCC(=O)NC1)C2=CC=CC=C2 Z1416163618 [0,1,0,0,0,1|1,0,0]=3 367 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [0,1,0,0,0,1|2,0,0]=4 368 B15R2.389 O=C1CCC(C(=O)N1)C2=NC=CC=C2 Z1262693590 [0,1,0,0,0,1|2,0,0]=4 369 B15R2.389 O=C1CCN(C(=O)N1)C2=CC=CC=C2 Z594217640 [0,1,0,0,0,1|2,0,0]=4 370 B15R2.389 O=C1NCC(C(=O)N1)C2=CC=CC=C2 Z1033091560 [0,1,0,0,0,1|2,0,0]=4 371 B15R2.59 NC(=O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z2053902363 [0,2,0,0,0,0|1,0,1]=4 372 B15R2.59 O=C(O)[C@H]1CC[C@@H](N1)C2=CC=CC=C2 Z1861964101 [0,2,0,0,0,0|1,0,1]=4 373 B15R2.1153 O=C1NC(CO1)C2=C(C=C(C=C2)Br)F Z1266873365 [0,2,0,0,0,0|2,0,0]=4 374 B15R2.18922 CC1(COC(=O)N1)C2=CC=C(C=C2)Br Z1266873349 [0,2,0,0,0,0|2,0,0]=4 375 B15R2.334 O=C1CC(=O)C(N1)C2=CC=CC(=C2)Br Z2489420077 [0,2,0,0,0,0|1,0,1]=4 376 B15R2.41345 CC1=CC(=CC(=C1)C2COC(=O)N2)C Z1266873415 [0,2,0,0,0,0|2,0,0]=4 377 B15R2.65021 CC1(COC(=O)N1)C2=CC(=CC=C2)Br Z1266873598 [0,2,0,0,0,0|2,0,0]=4 378 B15R2.65021 CC1(COC(=O)N1)C2=CC(=CC=C2)N Z2768439420 [0,2,0,0,0,0|2,0,0]=4 379 B15R2.65026 O=S1(=O)CCC(N1)C2=CC=CC(=C2)Br Z2937111993 [0,2,0,0,0,0|2,0,0]=4 380 B15R2.6956 O=C1CCC(N1)C2=C(N=CN=C2O)O Z3326039981 [0,2,0,0,0,0|1,0,0]=3 381 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)N Z4450203711 [0,2,0,0,0,0|1,0,0]=3 382 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CN=CC=C2)N Z2412194377 [0,2,0,0,0,0|0,0,0]=2 383 B15R2.324 CC1(NC(=O)NC1=O)C2=CN=CC=C2 Z240132052 [0,2,0,0,0,0|1,0,1]=4 384 B15R2.5167 NCC1(CCC(=O)N1)C2=CC=CC=C2 Z1837330830 [0,2,0,0,0,0|1,0,0]=3 385 B13R2.3 C1=CC(=CN=C1)[C@@H]2CCCCN2 Z2106605239 [0,0,1,1,0,0|1,0,1]=4 386 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [0,0,1,1,0,0|2,0,0]=4 387 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [0,0,1,1,0,0|2,0,0]=4 388 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [0,0,1,1,0,0|2,0,0]=4 389 B13R2.33 O=C1CCC2=C(C=CC=C2)CN1 Z1198153747 [0,0,1,1,0,0|1,0,0]=3 390 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,0,1,1,0,0|2,0,0]=4 391 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [0,0,1,1,0,0|2,0,0]=4 392 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [0,0,1,1,0,0|1,0,0]=3 393 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CN=CC=C2 Z2242045438 [0,0,1,1,0,0|2,0,0]=4 394 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,0,1,1,0,0|1,0,0]=3 395 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,0,1,1,0,0|1,0,0]=3 396 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,0,1,1,0,0|2,0,0]=4 397 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,0,1,1,0,0|2,0,0]=4 398 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,0,1,1,0,0|2,0,0]=4 399 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,0,1,1,0,0|2,0,0]=4 400 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,0,1,1,0,0|1,0,0]=3 401 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,0,1,1,0,0|2,0,0]=4 402 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,0,1,1,0,0|2,0,0]=4 403 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,0,1,1,0,0|2,0,0]=4 404 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,0,1,1,0,0|2,0,0]=4 405 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,0,1,1,0,0|2,0,0]=4 406 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 Z2242191032 [1,0,0,1,0,0|1,0,1]=4 407 B15R3.10083 O=C1CCC2=NC3=C(N12)C=CC=C3 Z56822198 [0,0,0,1,0,1|1,0,1]=4 408 B11R1.25 CCC(=O)NCC1=CC=CO1 Z31407962 [0,0,1,0,1,0|1,0,0]=3 409 B11R1.25 CCC(=O)NCC1=CC=CS1 Z29693741 [0,0,1,0,1,0|1,0,0]=3 410 B11R1.25 CNC(=O)NCC1=CC=NO1 Z1971800863 [0,0,1,0,1,0|2,0,0]=4 411 B11R1.25 CNC(=O)NCC1=CN=CS1 Z1672297658 [0,0,1,0,1,0|2,0,0]=4 412 B11R1.25 CNC(=O)NCC1=NC=CN1 Z1524592681 [0,0,1,0,1,0|2,0,0]=4 413 B11R1.25 CNC(=O)NCC1=NOC=C1 Z1325723138 [0,0,1,0,1,0|2,0,0]=4 414 B11R1.25 NCC(=O)NCC1=CC=CO1 Z850542566 [0,0,1,0,1,0|2,0,0]=4 415 B11R1.25 O=C(CCl)NCC1=CC=CO1 Z56891404 [0,0,1,0,1,0|2,0,0]=4 416 B11R1.25 O=C(CCl)NCC1=CC=CS1 Z56851249 [0,0,1,0,1,0|2,0,0]=4 417 B11R1.40 C=CC(=O)NC1=CN=CC=C1 Z440633590 [0,0,1,0,1,0|0,0,2]=4 418 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,0,1,0,1,0|0,0,0]=2 419 B11R1.40 CNC(=O)NC1=CC=CC=C1 Z55293754 [0,0,1,0,1,0|2,0,0]=4 420 B11R1.40 COC(=O)CC1=CN=CN=C1 Z2176326087 [0,0,1,0,1,0|2,0,0]=4 421 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,0,1,0,1,0|2,0,0]=4 422 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,0,1,0,1,0|2,0,0]=4 423 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,0,1,0,1,0|2,0,0]=4 424 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,0,1,0,1,0|2,0,0]=4 425 B11R1.40 O=C(CCl)NC1=CN=CC=C1 Z1558574655 [0,0,1,0,1,0|1,0,0]=3 426 B11R1.40 O=C(CCl)NC1=NN=CC=C1 Z2940609444 [0,0,1,0,1,0|2,0,0]=4 427 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,0,1,0,1,0|2,0,0]=4 428 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [0,0,1,0,1,0|1,0,0]=3 429 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [0,0,1,0,1,0|2,0,0]=4 430 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [0,0,1,0,1,0|2,0,0]=4 431 B11R1.36 CC(=O)N(C)C1=CN=CC=C1 Z1203252645 [0,0,1,0,1,0|1,0,0]=3 432 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [0,0,1,0,1,0|2,0,0]=4 433 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [0,0,1,0,1,0|1,0,0]=3 434 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [0,0,1,0,1,0|2,0,0]=4 435 B11R1.36 CN(C(=O)N)C1=CN=CC=C1 Z1188339188 [0,0,1,0,1,0|2,0,0]=4 436 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [0,0,1,0,1,0|1,0,0]=3 437 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [0,0,1,0,1,0|1,0,0]=3 438 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [0,0,1,0,1,0|2,0,0]=4 439 B11R1.77 CC(=O)NC(C)C1=CC=CS1 Z28880796 [0,0,1,0,1,0|1,0,0]=3 440 B11R1.172 NC(=O)CSCC1=CN=CS1 Z2589333503 [0,0,1,0,1,0|2,0,0]=4 441 B11R1.172 NC(=O)NCCC1=CC=CS1 Z90123296 [0,0,1,0,1,0|2,0,0]=4 442 B11R1.172 O=C(O)CCCC1=CC=CS1 Z56951195 [0,0,1,0,1,0|2,0,0]=4 443 B11R1.172 O=C(O)CCCC1=NC=CO1 Z1262554930 [0,0,1,0,1,0|2,0,0]=4 444 B11R1.172 O=C(O)CCCN1C=CC=C1 Z245326710 [0,0,1,0,1,0|2,0,0]=4 445 B11R1.172 O=C(O)CCCN1C=CC=N1 Z285049638 [0,0,1,0,1,0|2,0,0]=4 446 B11R1.172 O=C(O)CCCN1C=CN=C1 Z285049642 [0,0,1,0,1,0|2,0,0]=4 447 B11R1.172 O=C([O-])CCCC1=NC=CS1 Z2010010280 [0,0,1,0,1,0|2,0,0]=4 448 B11R2.2 C1=CNC(=C1)C2CCCN2 Z380849306 [1,0,0,0,1,0|0,0,2]=4 449 B11R2.2 C1=CNC(=N1)C2CCCN2 Z1582263072 [1,0,0,0,1,0|1,0,1]=4 450 B11R2.2 C1=COC(=C1)C2CCCN2 Z281773792 [1,0,0,0,1,0|1,0,1]=4 451 B11R2.2 C1=CSC(=C1)C2CCCN2 Z57039610 [1,0,0,0,1,0|1,0,1]=4 452 B11R2.2 C1=CSC(=N1)C2CCCN2 Z3247794040 [1,0,0,0,1,0|1,0,1]=4 453 B11R2.2 C1=NNC=C1C2CCCN2 Z2238508588 [1,0,0,0,1,0|1,0,1]=4 454 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,0,1,0|1,0,0]=3 455 B11R2.11 O=C1CC(C1)C2=NC=CN2 Z3069417652 [0,0,0,0,2,0|2,0,0]=4 456 B11R2.11 O=C1CC(C1)N2C=CC=N2 Z1999515993 [0,0,0,0,2,0|2,0,0]=4 457 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,0,1,0,0,1|2,0,0]=4 458 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,0,1,0,0,1|2,0,0]=4 459 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,0,1,0,0,1|2,0,0]=4 460 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,0,1,0,0,1|1,0,0]=3 461 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,0,1,0,0,1|1,0,0]=3 462 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,0,1,0,0,1|0,0,0]=2 463 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,0,1,0,0,1|1,0,0]=3 464 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,0,1,0,0,1|1,0,0]=3 465 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,0,1,0,0,1|2,0,0]=4 466 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,0,1,0,0,1|2,0,0]=4 467 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,0,1,0,0,1|2,0,0]=4 468 B13R1.337 O=C(O)CCCOC1=CN=CC=C1 Z927645802 [0,0,1,0,0,1|1,0,0]=3 469 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,0,1,0,0,1|2,0,0]=4 470 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,0,1,0,0,1|2,0,0]=4 471 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 Z1272739864 [0,0,1,0,0,1|1,0,0]=3 472 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,0,1,0,0,1|2,0,0]=4 473 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,0,1,0,0,1|2,0,0]=4 474 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,0,1,0,0,1|2,0,0]=4 475 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,0,1,0,0,1|2,0,0]=4 476 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,0,1,0,0,1|2,0,0]=4 477 B13R2.64 C1=CC(=CN=C1)OC2CCNC2 Z1095384991 [1,0,0,0,0,1|2,0,0]=4 478 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [1,0,0,0,0,1|1,0,1]=4 479 B15R2.29 O=C1CCC(CC1)CC2=CC=CC=C2 Z1201626930 [0,0,0,0,0,2|2,0,0]=4 480 B15R2.29 O=C1CCC(CN1)CC2=CC=CC=C2 Z1509334089 [0,0,0,0,0,2|1,0,0]=3 481 B15R2.29 O=C1CCN(CC1)CC2=CN=CC=C2 Z286054334 [0,0,0,0,0,2|2,0,0]=4 482 B15R2.31 O=C1CC(CCN1)CC2=CC=CC=C2 Z1509151018 [0,0,0,0,0,2|2,0,0]=4 483 B15R2.31 O=C1COCC(N1)CC2=CC=CC=C2 Z1509178975 [0,0,0,0,0,2|1,0,0]=3 484 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 Z1266873591 [0,0,0,0,0,2|2,0,0]=4 485 B15R2.543 O=C1C=C(NCCN1)C2=CN=CC=C2 Z2471612527 [0,0,0,0,0,2|1,0,1]=4 486 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,0,0,0,0,2|2,0,0]=4 487 B15R2.543 O=C1CCCCC(C1)C2=CC=CC=C2 Z1233209527 [0,0,0,0,0,2|2,0,0]=4