0 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.15 CN1C=CC=C1C2=CN=CC=C2 Z1198153878 [0,0,0,0,0,0|0,0,4]=4 2 B13R2.15 CN1C=NC=C1C2=CN=CC=C2 Z3014241160 [0,0,0,0,0,0|1,0,3]=4 3 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.15 F[C@@H]1CNC[C@@H]1C2=CC=CC=C2 Z3222118152 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,0,0,0,0,0|3,0,0]=3 7 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [0,0,0,0,0,0|3,0,0]=3 10 B13R2.15 O=C1CCCN1C2=CC=CC=C2 Z55670889 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,0,0,0,0,0|4,0,0]=4 12 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [0,0,0,0,0,0|3,0,0]=3 13 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,0,0,0,0,0|2,0,0]=2 15 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,0,0,0,0,0|4,0,0]=4 17 B12R2.2 C1=CC(=CC=N1)C2CCCN2 Z238920298 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.2 C1=CC(=CN=C1)C2=CCNC2 Z1629602630 [1,0,0,0,0,0|2,0,1]=4 19 B12R2.2 C1=CC(=CN=C1)C2=NCCN2 Z275361154 [1,0,0,0,0,0|1,0,1]=3 20 B12R2.2 C1=CC(=CN=C1)C2CCCN2 Z164706372 [1,0,0,0,0,0|0,0,0]=1 21 B12R2.2 C1=CC(=NC=N1)C2CCCN2 Z2492774467 [1,0,0,0,0,0|3,0,0]=4 22 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [1,0,0,0,0,0|1,0,2]=4 23 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [1,0,0,0,0,0|2,0,1]=4 24 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [1,0,0,0,0,0|1,0,0]=2 25 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.2 C1=CN=C(C=N1)C2CCNC2 Z2310698899 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.14 CNC1CCCC1C2=CC=CC=C2 Z993062846 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.14 CN[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2240803613 [0,1,0,0,0,0|2,0,0]=3 29 B14R2.14 CO[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4283398957 [0,1,0,0,0,0|3,0,0]=4 30 B14R2.14 NCC1CCCC1C2=CC=CC=C2 Z2235409216 [0,1,0,0,0,0|2,0,0]=3 31 B14R2.14 NC[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z1860991496 [0,1,0,0,0,0|3,0,0]=4 32 B14R2.14 O=NN1CCCC1C2=CC=CC=C2 Z1255430856 [0,1,0,0,0,0|2,0,0]=3 33 B14R2.14 OC[C@@H]1CNC[C@H]1C2=CC=CC=C2 Z3626609917 [0,1,0,0,0,0|3,0,0]=4 34 B14R2.269 CC1CCNC1C2=CC(=CC=C2)F Z1245636037 [0,1,0,0,0,0|3,0,0]=4 35 B14R2.269 OC1CCCC1C2=CC(=CC=C2)Cl Z992949496 [0,1,0,0,0,0|3,0,0]=4 36 B14R2.277 CN1CC[C@H]([C@@H]1C2=CC=CC=C2)N Z3072361928 [0,1,0,0,0,0|1,0,0]=2 37 B14R2.296 O=C1CCCC1C2=C(C=CC=C2)Cl Z993018396 [0,1,0,0,0,0|3,0,0]=4 38 B14R2.296 OC1CCCC1C2=C(C=CC=C2)Cl Z992949474 [0,1,0,0,0,0|3,0,0]=4 39 B14R2.333 CC1(CNCC1C2=CC=CC=C2)C Z1463351171 [0,1,0,0,0,0|3,0,0]=4 40 B14R2.333 O=S1(=O)CCCN1C2=CN=CC=C2 Z1870159591 [0,1,0,0,0,0|3,0,0]=4 41 B14R2.598 CC1CC(C(N1)C)C2=CC=CC=C2 Z1259273392 [0,1,0,0,0,0|3,0,0]=4 42 B14R2.598 CC1CC(CN1C2=CC=CC=C2)N Z1266827579 [0,1,0,0,0,0|3,0,0]=4 43 B14R2.926 CC1=CC=C(C=C1)C2CCCC2=O Z993018192 [0,1,0,0,0,0|3,0,0]=4 44 B14R2.926 CC1=CC=C(C=C1)C2CCCC2N Z993058930 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.926 CC1=CC=C(C=C1)C2CCCC2O Z992949426 [0,1,0,0,0,0|3,0,0]=4 46 B14R2.926 CN1CCCC1C2=CC=C(C=C2)Br Z646267806 [0,1,0,0,0,0|1,0,0]=2 47 B14R2.926 NC1=NC=C(C=C1)N2CCCC2=O Z1117899729 [0,1,0,0,0,0|3,0,0]=4 48 B14R2.926 NC1CCCC1C2=CC=C(C=C2)Br Z3356207026 [0,1,0,0,0,0|3,0,0]=4 49 B14R2.926 NC1CCCC1C2=CC=C(C=C2)Cl Z1696290149 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.926 N[C@@H]1CCC[C@H]1C2=CC=C(C=C2)F Z2289761611 [0,1,0,0,0,0|3,0,0]=4 51 B14R2.926 O=C1CCCC1C2=CC=C(C=C2)Cl Z993018300 [0,1,0,0,0,0|3,0,0]=4 52 B14R2.926 O=C1CCCC1C2=CC=C(C=C2)F Z993018334 [0,1,0,0,0,0|3,0,0]=4 53 B14R2.926 OC1CCCC1C2=CC=C(C=C2)F Z992949410 [0,1,0,0,0,0|3,0,0]=4 54 B14R2.926 O[C@@H]1CCC[C@H]1C2=CC=C(C=C2)Cl Z2235790511 [0,1,0,0,0,0|3,0,0]=4 55 B14R2.4514 CN1C(=O)CNC1C2=CC=CC=C2 Z731057346 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.3 C#CCC(NC)C1=CC=CC=C1 Z1815149215 [0,0,1,0,0,0|1,0,2]=4 57 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [0,0,1,0,0,0|3,0,0]=4 58 B12R1.3 CCCC(NC)C1=NC=CC=C1 Z513799952 [0,0,1,0,0,0|2,0,0]=3 59 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [0,0,1,0,0,0|3,0,0]=4 60 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,0,1,0,0,0|2,0,0]=3 61 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [0,0,1,0,0,0|3,0,0]=4 62 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [0,0,1,0,0,0|3,0,0]=4 63 B12R1.8 CNCC/C=C/C1=CN=CN=C1 Z2277126768 [0,0,1,0,0,0|1,0,2]=4 64 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [0,0,1,0,0,0|1,0,0]=2 65 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [0,0,1,0,0,0|2,0,0]=3 66 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [0,0,1,0,0,0|2,0,0]=3 67 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [0,0,1,0,0,0|2,0,0]=3 68 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,0,1,0,0,0|3,0,0]=4 69 B12R1.8 COCCNCC1=CN=CC=C1 Z90501855 [0,0,1,0,0,0|2,0,0]=3 70 B12R1.8 CSCCCNC1=CN=CC=C1 Z2670693189 [0,0,1,0,0,0|2,0,0]=3 71 B12R1.8 N#CCCNCC1=CN=CC=C1 Z53116802 [0,0,1,0,0,0|3,0,0]=4 72 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [0,0,1,0,0,0|3,0,0]=4 73 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [0,0,1,0,0,0|3,0,0]=4 74 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,0,1,0,0,0|1,0,2]=4 75 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,0,1,0,0,0|3,0,0]=4 76 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,0,1,0,0,0|3,0,0]=4 77 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,0,1,0,0,0|3,0,0]=4 78 B12R1.32 CCOC(=O)CC1=CN=CC=C1 Z982129808 [0,0,1,0,0,0|3,0,0]=4 79 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,0,1,0,0,0|2,0,0]=3 80 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,0,1,0,0,0|2,0,0]=3 81 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,0,1,0,0,0|3,0,0]=4 82 B12R1.34 COC(=O)C(C)C1=CN=CC=C1 Z982129816 [0,0,1,0,0,0|3,0,0]=4 83 B12R1.478 CC(C)C(CN)C1=CC=CC=C1 Z366424654 [0,0,1,0,0,0|3,0,0]=4 84 B12R1.478 CC(C)C(CN)C1=CN=CC=C1 Z1322784254 [0,0,1,0,0,0|2,0,0]=3 85 B12R1.478 CCC(C(=O)O)C1=CN=CC=C1 Z982129822 [0,0,1,0,0,0|3,0,0]=4 86 B12R1.478 CNC(C1=CC=CC=C1)C(C)C Z164151714 [0,0,1,0,0,0|3,0,0]=4 87 B12R1.478 CNC(C1=CN=CC=C1)C(C)C Z513800220 [0,0,1,0,0,0|2,0,0]=3 88 B14R3.44 C1=CC=C(C=C1)[C@H]2NC[C@@H]3[C@H]2C3 Z3869460248 [0,0,0,1,0,0|3,0,0]=4 89 B14R3.2936 C1=CC=C(C=C1)C23CNCC2C3 Z2803719278 [0,0,0,1,0,0|3,0,0]=4 90 B14R3.2936 C1=CC=C(C=C1)[C@]23CNC[C@H]2C3 Z2568758552 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.10 CN1CCCC1C2=CC=NN2 Z2063410210 [0,0,0,0,1,0|1,0,0]=2 92 B12R2.10 O[C@@H]1CCC[C@H]1N2C=CC=N2 Z1037336814 [0,0,0,0,1,0|3,0,0]=4 93 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,0,0,0,1,0|3,0,0]=4 94 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,0,1,0|3,0,0]=4 95 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,0,1,0|3,0,0]=4 96 B14R2.21 CC1CCCC(N1)C2=CC=CC=C2 Z1198181090 [0,0,0,0,0,1|2,0,0]=3 97 B14R2.21 CC1CNCC(C1)C2=CC=CC=C2 Z1492427258 [0,0,0,0,0,1|3,0,0]=4 98 B14R2.21 CC1CNCC(O1)C2=CC=CC=C2 Z405744536 [0,0,0,0,0,1|3,0,0]=4 99 B14R2.21 CN1CCNC(C1)C2=CC=CC=C2 Z104508454 [0,0,0,0,0,1|2,0,0]=3 100 B14R2.21 NC1CCCC(C1)C2=CC=CC=C2 Z1233210460 [0,0,0,0,0,1|3,0,0]=4 101 B14R2.21 NC1CCCN(C1)C2=CN=CC=C2 Z5351512815 [0,0,0,0,0,1|3,0,0]=4 102 B14R2.21 O=C1C=C(CCC1)C2=CN=CC=C2 Z1258851299 [0,0,0,0,0,1|2,0,1]=4 103 B14R2.21 O=C1CCCC(C1)C2=CC=CC=C2 Z1198152074 [0,0,0,0,0,1|3,0,0]=4 104 B14R2.21 O=C1CCCC(N1)C2=CC=CC=C2 Z1255365075 [0,0,0,0,0,1|3,0,0]=4 105 B14R2.24 CC1CCNCC1C2=CC=CC=C2 Z2803578072 [0,0,0,0,0,1|2,0,0]=3 106 B14R2.24 CC1CNCCC1C2=CC=CC=C2 Z1259303197 [0,0,0,0,0,1|2,0,0]=3 107 B14R2.24 CC1CNCCN1C2=CC=CC=C2 Z1198147855 [0,0,0,0,0,1|3,0,0]=4 108 B14R2.24 CC1CNCCN1C2=NC=CN=C2 Z2310701985 [0,0,0,0,0,1|3,0,0]=4 109 B14R2.24 CC1SCCNC1C2=CC=CC=C2 Z1218937147 [0,0,0,0,0,1|3,0,0]=4 110 B14R2.24 CN1CCNCC1C2=CC=CC=C2 Z3234812034 [0,0,0,0,0,1|1,0,0]=2 111 B14R2.24 C[C@@H]1CCNC[C@@H]1C2=CC=CC=C2 Z2831446470 [0,0,0,0,0,1|2,0,0]=3 112 B14R2.24 F[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z5551895336 [0,0,0,0,0,1|3,0,0]=4 113 B14R2.24 NC1CCNCC1C2=CC=CC=C2 Z4510822484 [0,0,0,0,0,1|3,0,0]=4 114 B14R2.24 N[C@@H]1COCC[C@@H]1C2=CC=CC=C2 Z4463176366 [0,0,0,0,0,1|3,0,0]=4 115 B14R2.24 O=C1CCCCC1C2=CC=CC=C2 Z104507604 [0,0,0,0,0,1|3,0,0]=4 116 B14R2.24 O=C1CNCCN1C2=CN=CC=C2 Z1198172663 [0,0,0,0,0,1|3,0,0]=4 117 B14R2.24 O=C1OCCNC1C2=CN=CC=C2 Z2738717744 [0,0,0,0,0,1|3,0,0]=4 118 B14R2.24 O[C@@H]1CCCC[C@H]1C2=CN=CC=C2 Z1898596794 [0,0,0,0,0,1|2,0,0]=3 119 B14R2.24 O[C@@H]1CNCC[C@@H]1C2=CC=CC=C2 Z5178963486 [0,0,0,0,0,1|3,0,0]=4 120 B14R2.24 O[C@@H]1CNCC[C@H]1C2=CC=CC=C2 Z2568756561 [0,0,0,0,0,1|3,0,0]=4 121 B14R2.24 O[C@H]1CCCC[C@H]1C2=CN=CC=C2 Z1945984021 [0,0,0,0,0,1|2,0,0]=3 122 B14R2.30 CC1NCCC1CC2=CC=CC=C2 Z979422196 [0,0,0,0,0,1|3,0,0]=4 123 B14R2.30 NC1CCCC1CC2=CC=CC=C2 Z813018506 [0,0,0,0,0,1|3,0,0]=4 124 B14R2.30 NC1CCCC1OC2=CC=CC=C2 Z1267773743 [0,0,0,0,0,1|3,0,0]=4 125 B14R2.30 N[C@@H]1CCC[C@@H]1OC2=CC=CC=C2 Z4745339387 [0,0,0,0,0,1|3,0,0]=4 126 B14R2.30 O=C1CCCC1CC2=CC=CC=C2 Z813018324 [0,0,0,0,0,1|3,0,0]=4 127 B14R2.30 OC1CCCC1CC2=CC=CC=C2 Z854048260 [0,0,0,0,0,1|3,0,0]=4 128 B11R1.12 CCC(NC)C1=CC=NC=C1 Z513800486 [1,0,1,0,0,0|2,0,0]=4 129 B11R1.12 CNC(CO)C1=CC=CC=C1 Z734147276 [1,0,1,0,0,0|2,0,0]=4 130 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [1,0,1,0,0,0|1,0,1]=4 131 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,0,1,0,0,0|2,0,0]=4 132 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,0,1,0,0,0|2,0,0]=4 133 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [1,0,1,0,0,0|2,0,0]=4 134 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [1,0,1,0,0,0|0,0,0]=2 135 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,0,1,0,0,0|2,0,0]=4 136 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,0,1,0,0,0|2,0,0]=4 137 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,0,1,0,0,0|2,0,0]=4 138 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,0,1,0,0,0|2,0,0]=4 139 B11R1.28 C#CCNCC1=CN=CC=C1 Z90560634 [1,0,1,0,0,0|0,0,2]=4 140 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [1,0,1,0,0,0|1,0,0]=3 141 B11R1.28 CCCCNC1=NC=CN=C1 Z31215149 [1,0,1,0,0,0|2,0,0]=4 142 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [1,0,1,0,0,0|1,0,0]=3 143 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [1,0,1,0,0,0|2,0,0]=4 144 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [1,0,1,0,0,0|0,0,0]=2 145 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [1,0,1,0,0,0|2,0,0]=4 146 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [1,0,1,0,0,0|2,0,0]=4 147 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [1,0,1,0,0,0|2,0,0]=4 148 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [1,0,1,0,0,0|1,0,0]=3 149 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [1,0,1,0,0,0|2,0,0]=4 150 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [1,0,1,0,0,0|2,0,0]=4 151 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [1,0,1,0,0,0|1,0,0]=3 152 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [1,0,1,0,0,0|2,0,0]=4 153 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [1,0,1,0,0,0|2,0,0]=4 154 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [1,0,1,0,0,0|2,0,0]=4 155 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [1,0,1,0,0,0|2,0,0]=4 156 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [1,0,1,0,0,0|2,0,0]=4 157 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [1,0,1,0,0,0|1,0,0]=3 158 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,0,1,0,0,0|2,0,0]=4 159 B13R1.1 CNC(COC)C1=CC=C(C=C1)Cl Z1889909780 [0,1,1,0,0,0|2,0,0]=4 160 B13R1.1 CNC(COC)C1=CC=C(C=C1)F Z825742382 [0,1,1,0,0,0|2,0,0]=4 161 B13R1.26 CCCNC(CC)C1=CC=CC=C1 Z316257194 [0,1,1,0,0,0|2,0,0]=4 162 B13R1.26 CCNCC(CC)C1=CC=CC=C1 Z163644928 [0,1,1,0,0,0|2,0,0]=4 163 B13R1.405 CCNC(C1=CN=CC=C1)C(C)C Z513800308 [0,1,1,0,0,0|2,0,0]=4 164 B13R1.6 CNCCCCC1=CC(=CC=C1)Br Z3023446824 [0,1,1,0,0,0|1,0,0]=3 165 B13R1.6 CNCCCOC1=CC(=CC=C1)Cl Z364247180 [0,1,1,0,0,0|2,0,0]=4 166 B13R1.9 CNCCCOC1=CC=C(C=C1)Br Z3002757594 [0,1,1,0,0,0|2,0,0]=4 167 B13R1.9 CNCCCOC1=CC=C(C=C1)F Z394693474 [0,1,1,0,0,0|2,0,0]=4 168 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,1,1,0,0,0|2,0,0]=4 169 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,1,1,0,0,0|2,0,0]=4 170 B13R1.24 COCCCC(=O)C1=CN=CC=C1 Z992963354 [0,1,1,0,0,0|1,0,1]=4 171 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [0,1,1,0,0,0|2,0,0]=4 172 B13R1.28 CNCCCOCC1=CC=CC=C1 Z164328298 [0,1,1,0,0,0|1,0,0]=3 173 B13R1.28 COCCCNCC1=CC=CC=C1 Z1723483716 [0,1,1,0,0,0|2,0,0]=4 174 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [0,1,1,0,0,0|2,0,0]=4 175 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,1,1,0,0,0|2,0,0]=4 176 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,1,1,0,0,0|2,0,0]=4 177 B13R1.555 CNCCCOC1=C(C=CC=C1)C Z364247080 [0,1,1,0,0,0|2,0,0]=4 178 B13R1.555 COCCCCC1=C(N=CC=C1)N Z1197893974 [0,1,1,0,0,0|1,0,0]=3 179 B13R1.20 CN(CC#N)CC1=CC(=CN=C1)F Z1703384514 [0,1,1,0,0,0|1,0,1]=4 180 B13R1.135 CN(CC1=CN=CC=C1)C(=O)CN Z1101435051 [0,1,1,0,0,0|1,0,1]=4 181 B13R1.470 CN(CCN)CC1=C(C=CC=C1)Cl Z415691250 [0,1,1,0,0,0|2,0,0]=4 182 B13R1.21 CCN(C)C(=O)C1=CN=C(C=C1)Cl Z347221360 [0,1,1,0,0,0|1,0,1]=4 183 B13R1.86 CCN(CC)C(=O)C1=CN=CC=C1 Z31723199 [0,1,1,0,0,0|1,0,1]=4 184 B13R1.706 CC1=CC=C(C=C1)C(CN)N(C)C Z228574228 [0,1,1,0,0,0|2,0,0]=4 185 B13R1.716 CN(C)C(CN)C1=CC(=CC=C1)F Z56347489 [0,1,1,0,0,0|2,0,0]=4 186 B13R1.720 CN(C)C(CN)C1=C(C=CC=C1)Cl Z234893891 [0,1,1,0,0,0|2,0,0]=4 187 B13R1.1111 CN(C)C(C(=O)O)C1=CN=CC=C1 Z448003318 [0,1,1,0,0,0|1,0,1]=4 188 B13R2.10 FC1CNC(C1)C2=CC=CC=C2 Z2732815726 [1,1,0,0,0,0|1,0,0]=3 189 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [1,1,0,0,0,0|2,0,0]=4 190 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [1,1,0,0,0,0|2,0,0]=4 191 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [1,1,0,0,0,0|1,0,0]=3 192 B13R2.12 BrC1=CC=C(C=C1)C2CCCC2 Z1269180595 [1,1,0,0,0,0|2,0,0]=4 193 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [1,1,0,0,0,0|1,0,0]=3 194 B13R2.12 BrC1=CN=C(C=C1)C2CCCN2 Z2044770018 [1,1,0,0,0,0|2,0,0]=4 195 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [1,1,0,0,0,0|1,0,0]=3 196 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [1,1,0,0,0,0|1,0,0]=3 197 B13R2.12 ClC1=NC=C(C=C1)C2=NCCC2 Z1486027108 [1,1,0,0,0,0|0,0,2]=4 198 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [1,1,0,0,0,0|1,0,0]=3 199 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [1,1,0,0,0,0|1,0,0]=3 200 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [1,1,0,0,0,0|1,0,0]=3 201 B13R2.12 OC1=NN=C(C=C1)C2CCCO2 Z2733321195 [1,1,0,0,0,0|2,0,0]=4 202 B13R2.13 BrC1=CC(=CC=C1)C2CCCN2 Z295459704 [1,1,0,0,0,0|1,0,0]=3 203 B13R2.13 BrC1=CC(=CN=C1)N2CCCC2 Z1172208680 [1,1,0,0,0,0|2,0,0]=4 204 B13R2.13 CC1=CC(=CC=C1)C2CCCN2 Z281773884 [1,1,0,0,0,0|1,0,0]=3 205 B13R2.13 CC1=NC(=CC=C1)C2CCCN2 Z1198172911 [1,1,0,0,0,0|2,0,0]=4 206 B13R2.13 ClC1=CC(=CC=C1)C2CCCN2 Z234895217 [1,1,0,0,0,0|1,0,0]=3 207 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 Z752370692 [1,1,0,0,0,0|1,0,0]=3 208 B13R2.13 FC1=CC(=CN=C1)C2CCNC2 Z2235682540 [1,1,0,0,0,0|2,0,0]=4 209 B13R2.13 IC1=CC(=CC=C1)C2CCCN2 Z362776598 [1,1,0,0,0,0|1,0,0]=3 210 B13R2.13 NC1=CC(=CC=C1)C2CCCC2 Z3490415509 [1,1,0,0,0,0|2,0,0]=4 211 B13R2.13 OC1=CC(=CC=C1)C2CCCC2 Z1485998351 [1,1,0,0,0,0|2,0,0]=4 212 B13R2.18 BrC1=C(C=CC=C1)C2CCCN2 Z1407007541 [1,1,0,0,0,0|1,0,0]=3 213 B13R2.18 ClC1=C(C=CC=C1)C2CCCN2 Z281773778 [1,1,0,0,0,0|1,0,0]=3 214 B13R2.18 IC1=C(C=CC=C1)C2CCCN2 Z281773830 [1,1,0,0,0,0|1,0,0]=3 215 B13R2.223 NC1(CCCC1)C2=CC=CC=C2 Z381654396 [1,1,0,0,0,0|2,0,0]=4 216 B13R2.223 OC1(CCCC1)C2=CC=CC=C2 Z449370860 [1,1,0,0,0,0|2,0,0]=4 217 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,0,1,0|2,0,0]=4 218 B13R2.219 CC1(CNC1C2=CN=CC=C2)C Z2158468705 [0,1,0,0,1,0|2,0,0]=4 219 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,1,0,0,1,0|2,0,0]=4 220 B15R2.332 CN1CCOC(C1)C2=C(C=CC=C2)Br Z1002816592 [0,1,0,0,0,1|2,0,0]=4 221 B15R2.21 CCC1CNCCC1C2=CC=CC=C2 Z1273067476 [0,1,0,0,0,1|2,0,0]=4 222 B15R2.21 CNC1CCCCC1C2=CC=CC=C2 Z446022472 [0,1,0,0,0,1|2,0,0]=4 223 B15R2.21 NCC1CCCCC1C2=CC=CC=C2 Z1251356498 [0,1,0,0,0,1|2,0,0]=4 224 B15R2.21 NCC1CCCOC1C2=CC=CC=C2 Z600427306 [0,1,0,0,0,1|2,0,0]=4 225 B15R2.21 NC[C@@H]1COCC[C@@H]1C2=CC=CC=C2 Z5209161920 [0,1,0,0,0,1|2,0,0]=4 226 B15R2.21 OC[C@@H]1CCCC[C@@H]1C2=CC=CC=C2 Z2335647089 [0,1,0,0,0,1|2,0,0]=4 227 B15R2.21 OC[C@@H]1CNCC[C@@H]1C2=CC=CC=C2 Z2309921636 [0,1,0,0,0,1|2,0,0]=4 228 B15R2.308 CC1=CC=C(C=C1)C2NCCCC2C Z317025316 [0,1,0,0,0,1|2,0,0]=4 229 B15R2.308 CC1=NC=C(C=C1)[C@@H]2CCCC[C@@H]2O Z1946966132 [0,1,0,0,0,1|2,0,0]=4 230 B15R2.308 CC1=NC=C(C=C1)[C@@H]2CCCC[C@H]2O Z1946994280 [0,1,0,0,0,1|2,0,0]=4 231 B15R2.308 C[C@@H]1CCNC[C@@H]1C2=CC=C(C=C2)O Z3402275075 [0,1,0,0,0,1|2,0,0]=4 232 B15R2.465 CC1(CCNCC1C2=CC=CC=C2)C Z2831567711 [0,1,0,0,0,1|2,0,0]=4 233 B15R2.555 CN1CCNCC1C2=C(C=CC=C2)Cl Z1269240440 [0,1,0,0,0,1|1,0,0]=3 234 B15R2.335 OC1CCCC1NC2=CC(=CN=C2)Br Z1798349838 [0,1,0,0,0,1|2,0,0]=4 235 B15R2.1510 CC1CCCN1CC2=CN=C(C=C2)N Z960326386 [0,1,0,0,0,1|2,0,0]=4 236 B15R2.2338 CN[C@@H]1CCC[C@@]1(O)C2=CC=CC=C2 Z4238069722 [0,2,0,0,0,0|2,0,0]=4 237 B15R2.2338 CN[C@@H]1CCC[C@]1(O)C2=CC=CC=C2 Z4238068066 [0,2,0,0,0,0|2,0,0]=4 238 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CC=CC=C2)N Z4450203711 [0,2,0,0,0,0|1,0,1]=4 239 B15R2.323 CN1C(=O)C[C@@H]([C@H]1C2=CN=CC=C2)N Z2412194377 [0,2,0,0,0,0|0,0,1]=3 240 B15R2.18925 CN1CCC(C1C2=CC=C(C=C2)F)N Z1188458533 [0,2,0,0,0,0|1,0,0]=3 241 B13R2.3 C1=CC(=CC=N1)C2CCCCN2 Z3244821672 [0,0,1,1,0,0|2,0,0]=4 242 B13R2.3 C1=CC(=CN=C1)C2=NCCCC2 Z2517097749 [0,0,1,1,0,0|0,0,2]=4 243 B13R2.3 C1=CC(=CN=C1)C2CCCNC2 Z2380440630 [0,0,1,1,0,0|2,0,0]=4 244 B13R2.3 C1=CC(=CN=C1)C2CCNCC2 Z3243815051 [0,0,1,1,0,0|2,0,0]=4 245 B13R2.3 C1=CC(=CN=C1)C2CNCCN2 Z1198172584 [0,0,1,1,0,0|1,0,0]=3 246 B13R2.3 C1=CC(=CN=C1)C2CNCCO2 Z3235143301 [0,0,1,1,0,0|2,0,0]=4 247 B13R2.3 C1=CC(=CN=C1)[C@@H]2CCCCN2 Z2106605239 [0,0,1,1,0,0|0,0,0]=2 248 B13R2.3 C1=CC=C(C=C1)C2CCOCN2 Z2891267780 [0,0,1,1,0,0|2,0,0]=4 249 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 Z1250954583 [0,0,1,1,0,0|2,0,0]=4 250 B13R2.3 C1=CC=C(C=C1)C2COCCN2 Z1097086259 [0,0,1,1,0,0|2,0,0]=4 251 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 Z1201621925 [0,0,1,1,0,0|2,0,0]=4 252 B13R2.679 CNC(C1=CN=CC=C1)C2CC2 Z2144245868 [0,0,1,1,0,0|0,0,0]=2 253 B13R2.2539 CNC1(CCC1)C2=CC=CC=C2 Z5336514980 [0,0,1,1,0,0|1,0,0]=3 254 B13R2.64 C1=CC(=CN=C1)OC2CCNC2 Z1095384991 [0,0,1,1,0,0|1,0,0]=3 255 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,0,1,1,0,0|1,0,0]=3 256 B13R2.64 C1=CC=C(C=C1)NC2CCNC2 Z970090328 [0,0,1,1,0,0|2,0,0]=4 257 B13R2.64 C1=CC=C(C=C1)OC2CCNC2 Z975916118 [0,0,1,1,0,0|2,0,0]=4 258 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [0,0,1,1,0,0|1,0,0]=3 259 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [0,0,1,1,0,0|1,0,0]=3 260 B13R2.5252 CN1CCCNC2=C1C=CC=C2 Z1198237679 [0,0,1,1,0,0|2,0,0]=4 261 B13R2.5252 CN1CCCNC2=C1C=CN=C2 Z1389344232 [0,0,1,1,0,0|1,0,0]=3 262 B13R2.5252 CN1CCNCC2=C1C=CC=C2 Z1080670256 [0,0,1,1,0,0|2,0,0]=4 263 B13R2.26 NCCN1CC2=C(C1)C=CC=C2 Z823287506 [0,0,1,1,0,0|2,0,0]=4 264 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,0,1,1,0,0|2,0,0]=4 265 B13R2.163 CN1CCNC2=C(C1)C=CC=C2 Z1098230405 [0,0,1,1,0,0|2,0,0]=4 266 B13R2.8137 O=C(C1=CN=CC=C1)N2CCC2 Z102876378 [0,0,1,1,0,0|1,0,1]=4 267 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 Z2242191032 [1,0,0,1,0,0|1,0,0]=3 268 B15R3.4198 C1=CC(=CN=C1)C23CCNCC2C3 Z4436128818 [0,0,0,1,0,1|1,0,0]=3 269 B15R3.4198 C1=CC=C(C=C1)[C@]23CCNC[C@H]2C3 Z4328160199 [0,0,0,1,0,1|2,0,0]=4 270 B15R3.4266 C1=CC2=C(C=C1)N=C3CCCN3C2 Z2295423882 [0,0,0,1,0,1|1,0,1]=4 271 B11R1.298 CN(C)C(CN)C1=CSC=C1 Z270760160 [0,0,1,0,1,0|2,0,0]=4 272 B11R2.2 C1=CC(=NN1)C2CCCC2 Z993955314 [1,0,0,0,1,0|2,0,0]=4 273 B11R2.2 C1=CNC(=C1)C2CCCN2 Z380849306 [1,0,0,0,1,0|0,0,1]=3 274 B11R2.2 C1=CNC(=N1)C2CCCN2 Z1582263072 [1,0,0,0,1,0|1,0,0]=3 275 B11R2.2 C1=COC(=C1)C2CCCN2 Z281773792 [1,0,0,0,1,0|1,0,0]=3 276 B11R2.2 C1=CSC(=C1)C2CCCN2 Z57039610 [1,0,0,0,1,0|1,0,0]=3 277 B11R2.2 C1=CSC(=N1)C2CCCN2 Z3247794040 [1,0,0,0,1,0|1,0,0]=3 278 B11R2.2 C1=NC=C(O1)C2CCCO2 Z2520746527 [1,0,0,0,1,0|2,0,0]=4 279 B11R2.2 C1=NN=C(N1)C2CCCN2 Z2335702516 [1,0,0,0,1,0|2,0,0]=4 280 B11R2.2 C1=NN=C(S1)C2CCCN2 Z4307079397 [1,0,0,0,1,0|2,0,0]=4 281 B11R2.2 C1=NNC=C1C2CCCN2 Z2238508588 [1,0,0,0,1,0|1,0,0]=3 282 B11R2.2 C1=NOC(=N1)C2CCCN2 Z1815155436 [1,0,0,0,1,0|2,0,0]=4 283 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,0,1,0|1,0,0]=3 284 B15R2.31 CC1CCCC(C1)NC2=CC=CC=C2 Z334877922 [0,0,0,0,0,2|2,0,0]=4 285 B15R2.55 CN1CCCC1CNC2=NC=CN=C2 Z1965913386 [0,0,0,0,0,2|1,0,0]=3