0 B10R1.21 CCNCCN1C=CN=C1 31914 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.12 CCNCC1=CC=CO1 C77903 [1,0,0,0,0,0|1,1,0]=3 2 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.12 ClCCCN1C=CC=N1 72556 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.12 NCCCC1=NC=CN1 F10427 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.12 OCCCC1=CNC=N1 12540 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.12 OCCCC1=CSC=C1 32572 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.4 CCCCCCC1=CC=CN1 D93114 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.4 CCCCCCC1=CNN=C1 F17298 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.4 CCCCCCN1C=CN=C1 D70731 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.25 COC(=O)CCC1=CC=CN1 RB3088 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.27 CCCCCC1=CC=C(Br)S1 W19332 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.27 ClC1=CN(CCCCBr)N=C1 W13443 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.29 CNCCC(=O)C1=CC=CS1 C76025 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.29 CNCC[C@H](O)C1=CC=CS1 C71538 [0,1,0,0,0,0|1,0,0]=2 15 B11R2.2 C1=CC([C@@H]2CCCN2)=CO1 Y11475 [0,0,0,1,0,0|3,0,0]=4 16 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N12240 [0,0,0,1,0,0|1,1,0]=3 17 B11R2.2 C1=NNC=C1C2CCCC2 F17234 [0,0,0,1,0,0|3,0,0]=4 18 B11R2.106 C[C@H]1CCNC2=CC=NN21 F53177 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.106 O=C1CCSC2=C1C=CS2 W17776 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.106 O=C1NCCC2=C1C=CS2 96995 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.106 O[C@H]1CCCC2=C1C=CO2 D79428 [0,0,0,1,0,0|1,1,0]=3 22 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,0,0,0,0,1|3,0,0]=4 23 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,0,0,0,0,1|1,0,0]=2 24 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,0,0,0,0,1|1,0,0]=2 25 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,0,0,0,0,1|1,0,0]=2 26 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,0,0,0,0,1|2,0,0]=3 27 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,0,0,0,0,1|3,0,0]=4 28 B11R1.28 NCCCOC1=CC=CC=C1 76995 [0,0,0,0,0,1|3,0,0]=4 29 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [0,0,0,0,0,1|2,0,1]=4 31 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,0,0,0,0,1|2,0,0]=3 32 B8R1.8 CCCC1=NNC=C1 C16284 [2,0,0,0,0,0|2,0,0]=4 33 B8R1.8 NCCC1=CC=CN1 31556 [2,0,0,0,0,0|2,0,0]=4 34 B8R1.8 NCCC1=CC=CN1 F10331 [2,0,0,0,0,0|2,0,0]=4 35 B8R1.8 NCCC1=NC=CS1 70863 [2,0,0,0,0,0|2,0,0]=4 36 B8R1.8 OCCC1=CC=CN1 AB10351 [2,0,0,0,0,0|2,0,0]=4 37 B8R1.8 OCCC1=CC=CO1 W10532 [2,0,0,0,0,0|1,1,0]=4 38 B10R1.16 CC1=CC=C(CCCN)S1 71973 [1,1,0,0,0,0|1,0,0]=3 39 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.66 O=C(O)CCC1=CC=CS1 69875 [1,1,0,0,0,0|1,0,1]=4 41 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [0,1,0,0,0,1|1,0,0]=3 42 B12R1.1 CCCCOC1=CN=C(Br)C=C1 A12893 [0,1,0,0,0,1|2,0,0]=4 43 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [0,1,0,0,0,1|2,0,0]=4 44 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [0,1,0,0,0,1|2,0,0]=4 45 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [0,1,0,0,0,1|2,0,0]=4 46 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [0,1,0,0,0,1|1,0,0]=3 47 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [0,1,0,0,0,1|2,0,0]=4 48 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [0,1,0,0,0,1|1,0,0]=3 49 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [0,1,0,0,0,1|2,0,0]=4 50 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [0,1,0,0,0,1|2,0,0]=4 51 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [0,1,0,0,0,1|1,0,0]=3 52 B12R1.28 CCCCOC1=NC=CC(N)=C1 C76837 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.7 OCCOCCC1=CC=C(Br)S1 D94421 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.37 SCCCCCCC1=CCC=C1 TD8104 [0,2,0,0,0,0|1,0,1]=4 60 B12R1.15 COC(=O)C[C@H](N)C1=CC=CS1 F20040 [0,2,0,0,0,0|1,0,1]=4 61 B10R2.7 C1=CC2=C(CCCC2)N1 P10023 [1,0,0,1,0,0|1,0,0]=3 62 B10R2.7 C1=CC2=C(CCCC2)S1 AC8430 [1,0,0,1,0,0|0,0,0]=2 63 B10R2.7 C1=CC2=C(CCNC2)N1 32435 [1,0,0,1,0,0|2,0,0]=4 64 B10R2.7 C1=CC2=C(CCNC2)O1 31880 [1,0,0,1,0,0|1,1,0]=4 65 B10R2.7 C1=CC2=C(CNCC2)S1 SC1001 [1,0,0,1,0,0|1,0,0]=3 66 B10R2.7 C1=CN2CCNCC2=C1 50896 [1,0,0,1,0,0|2,0,0]=4 67 B10R2.7 C1=NC2=C(CCNC2)S1 D82657 [1,0,0,1,0,0|2,0,0]=4 68 B10R2.7 C1=NC2=C(CNCC2)S1 70887 [1,0,0,1,0,0|2,0,0]=4 69 B10R2.7 C1=NN2CCCCC2=C1 P18739 [1,0,0,1,0,0|2,0,0]=4 70 B10R2.136 C1=CC(C2CCC2)=NN1 F53512 [1,0,0,1,0,0|2,0,0]=4 71 B10R2.136 C1=CNC(C2CCC2)=N1 52509 [1,0,0,1,0,0|2,0,0]=4 72 B12R2.2 C1=CC([C@H]2CCNC2)=CC=N1 65604 [0,0,0,1,0,1|2,0,0]=4 73 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,0,1|2,0,0]=4 74 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,0,1|2,0,0]=4 75 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,0,1|2,0,0]=4 76 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,0,0,1,0,1|2,0,0]=4 77 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,0,0,1,0,1|2,0,0]=4 78 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,0,0,1,0,1|2,0,0]=4 79 B12R2.2 C1=CN=C(N2CCCC2)N=C1 C73662 [0,0,0,1,0,1|2,0,0]=4 80 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,0,0,1,0,1|2,0,0]=4 81 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,0,0,1,0,1|2,0,0]=4 82 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,0,0,1,0,1|2,0,0]=4 83 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,0,0,1,0,1|2,0,0]=4 84 B12R2.2 C1=CN=C([C@H]2CCNC2)C=C1 C11366 [0,0,0,1,0,1|2,0,0]=4 85 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,0,0,1,0,1|2,0,0]=4 86 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,0,0,1,0,1|2,0,0]=4 87 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,0,0,1,0,1|2,0,0]=4 88 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,0,0,1,0,1|2,0,0]=4 89 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,0,0,1,0,1|2,0,0]=4 90 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 AR1448 [0,0,0,1,0,1|2,0,0]=4 91 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,1|2,0,0]=4 92 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,0,0,1,0,1|2,0,0]=4 93 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,0,0,1,0,1|2,0,0]=4 95 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [0,0,0,1,0,1|2,0,0]=4 97 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 36617 [0,0,0,1,0,1|2,0,0]=4 98 B12R2.1081 C[C@H]1CCNC2=C1C=CC=C2 A10659 [0,0,0,1,0,1|2,0,0]=4 99 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 64901 [0,0,0,1,0,1|2,0,0]=4 100 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 72471 [0,0,0,1,0,1|2,0,0]=4 101 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 W10122 [0,0,0,1,0,1|2,0,0]=4 102 B12R2.1081 N[C@H]1CCCC2=C1C=CN=C2 85239 [0,0,0,1,0,1|2,0,0]=4 103 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 82163 [0,0,0,1,0,1|2,0,0]=4 104 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50212 [0,0,0,1,0,1|2,0,0]=4 105 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 50215 [0,0,0,1,0,1|2,0,0]=4 106 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 RB3334 [0,0,0,1,0,1|2,0,0]=4 107 B12R2.1081 N[C@H]1CCCC2=NC=CC=C21 39151 [0,0,0,1,0,1|2,0,0]=4 108 B12R2.1081 N[C@H]1CCCC2=NC=CN=C21 O11320 [0,0,0,1,0,1|2,0,0]=4 109 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [0,0,0,1,0,1|2,0,0]=4 110 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [0,0,0,1,0,1|2,0,0]=4 111 B12R2.1081 O[C@H]1CCCC2=C1C=CN=C2 53689 [0,0,0,1,0,1|2,0,0]=4 112 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 70487 [0,0,0,1,0,1|2,0,0]=4 113 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,0,0,1,0,1|2,0,0]=4 114 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.6 NC1=CC(C2CCCC2)=NO1 72129 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.6 NC1=CN(C2CCCC2)N=C1 80695 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.202 C[C@H]1CCCC2=C1N=C(N)S2 D72078 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.2298 ClC1=NC=C(CNC2CC2)S1 24409 [0,1,0,1,0,0|2,0,0]=4