0 B10R1.15 CC[C@H](N)C1=NC=CN=C1 SPC-n915 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 SPC-u398 [0,0,0,1,0,0|3,0,0]=4 4 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,0,0,1,0,0|2,0,0]=3 5 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,0,0,1,0,0|2,0,0]=3 6 B12R2.2 C1=CC=C([C@@H]2CCNC2)C=C1 SPC-n765 [0,0,0,1,0,0|0,0,0]=1 7 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-n080 [0,0,0,1,0,0|0,0,0]=1 8 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SPC-t894 [0,0,0,1,0,0|0,0,0]=1 9 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,0,0,1,0,0|2,0,0]=3 10 B12R2.22 NC1CN(C2=CC=CC=C2)C1 SPC-q680 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,1,0,0|2,0,0]=3 13 B12R2.22 OC1CN(C2=CC=CC=C2)C1 SPC-h977 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.116 CC1(C2=CC=CC=C2)COC1 SPC-a281 [0,0,0,1,0,0|1,0,0]=2 15 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-a131 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.116 NC1(C2=CC=CC=C2)COC1 SPC-u870 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.116 NC1(C2=CN=CC=C2)COC1 SPC-n032 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.116 OC1(C2=CC=CC=C2)CNC1 SPC-i011 [0,0,0,1,0,0|1,0,0]=2 19 B12R2.116 OC1(C2=CC=CC=C2)COC1 SPC-a052 [0,0,0,1,0,0|2,0,0]=3 20 B12R2.116 OC1(C2=CC=CC=C2)CSC1 SPC-a108 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.116 OC1(C2=CN=CC=C2)COC1 SPC-a059 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.1081 N[C@H]1COCC2=C1C=CC=C2 SPC-j355 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,0,0,1,0,0|2,0,1]=4 24 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.8 CNCC1=CN=CN=C1 SPC-q180 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.7 NCC(F)(F)C1=NC=CC=C1 SPC-n008 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,1,0,0,0,0|1,0,0]=3 38 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,1,0,0|0,0,2]=4 39 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [1,0,0,1,0,0|1,0,1]=4 40 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [1,0,0,1,0,0|1,0,1]=4 41 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [1,0,0,1,0,0|0,0,0]=2 42 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [1,0,0,1,0,0|0,0,0]=2 43 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [1,0,0,1,0,0|0,0,0]=2 44 B11R2.40 NC1(C2=CC=NC=C2)CC1 SPC-n917 [1,0,0,1,0,0|2,0,0]=4 45 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,1,0,0|1,0,0]=3 46 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [1,0,0,1,0,0|1,0,0]=3 47 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|0,0,0]=2 48 B11R2.20 C1=CN=C2CCNCC2=C1 SPC-u452 [1,0,0,1,0,0|1,0,0]=3 49 B11R2.20 C1=CN=C2CNCCC2=C1 SPC-p618 [1,0,0,1,0,0|1,0,0]=3 50 B11R2.20 C1=NC=C2CCNCC2=N1 SPC-p704 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.106 C[C@H]1CNCC2=CC=NN21 SPC-k332 [0,0,0,1,1,0|2,0,0]=4 52 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-i766 [0,0,0,1,0,1|2,0,0]=4 53 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-n042 [0,0,0,1,0,1|2,0,0]=4 54 B13R2.3 C1=CC([C@@H]2COCCN2)=CC=N1 SPC-f089 [0,1,0,1,0,0|2,0,0]=4 55 B13R2.3 C1=CC([C@@H]2CSCCN2)=CC=N1 SPC-f064 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.3 C1=CC([C@@H]2CSCCN2)=CN=C1 SPC-f065 [0,1,0,1,0,0|2,0,0]=4 57 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 SPC-p257 [0,1,0,1,0,0|0,0,0]=2 58 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 SPC-f083 [0,1,0,1,0,0|1,0,0]=3 59 B13R2.3 C1=CC=C([C@@H]2CSCCN2)C=C1 SPC-f054 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 SPC-k317 [0,1,0,1,0,0|2,0,0]=4 61 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,1,0,1,0,0|2,0,0]=4 62 B13R2.2539 BrCC1(C2=CC=CC=C2)COC1 SPC-a268 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 SPC-a228 [0,1,0,1,0,0|1,0,0]=3 64 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 SPC-a269 [0,1,0,1,0,0|1,0,0]=3 65 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 SPC-n646 [0,1,0,1,0,0|0,0,2]=4 66 B13R2.2931 CN1N=C(CO)C2=C1C=CC=C2 SPC-h824 [0,1,0,1,0,0|1,0,1]=4 67 B13R2.2986 CC1(C2=CC=C(Br)C=C2)COC1 SPC-a283 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.2986 CC1(C2=CC=C(N)C=C2)COC1 SPC-a440 [0,1,0,1,0,0|1,0,0]=3 69 B13R2.2986 CC1=CC=C(C2(N)COC2)C=C1 SPC-a132 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.2986 FC1(C2=CC=C(Br)C=C2)COC1 SPC-w144 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 SPC-a233 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.2986 NC1(C2=CC=C(Br)C=C2)COC1 SPC-a233 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.2986 NC1(C2=CC=C(Cl)C=C2)COC1 SPC-a238 [0,1,0,1,0,0|2,0,0]=4 74 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 SPC-a133 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.2986 NC1(C2=CC=C(F)C=C2)COC1 SPC-q494 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.2986 OC1(C2=CC=C(Br)C=C2)COC1 SPC-a050 [0,1,0,1,0,0|2,0,0]=4 77 B13R2.2986 OC1(C2=CC=C(F)C=C2)COC1 SPC-a053 [0,1,0,1,0,0|2,0,0]=4 78 B13R2.2986 OC1=CC=C(C2(O)COC2)C=C1 SPC-a054 [0,1,0,1,0,0|2,0,0]=4 79 B13R2.5179 C[C@H]1CNCC2=C1C=CC(Br)=C2 SPC-s414 [0,1,0,1,0,0|0,0,0]=2 80 B13R2.5187 CC1=CN(C)C2=C1C=CC(N)=C2 SPC-s108 [0,1,0,1,0,0|0,0,2]=4 81 B13R2.5187 CC1=NN(C)C2=C1C=C(Br)C=C2 SPC-h944 [0,1,0,1,0,0|1,0,1]=4 82 B13R2.5187 CC1=NN(C)C2=C1C=C(N)C=C2 SPC-i619 [0,1,0,1,0,0|1,0,1]=4 83 B13R2.5187 CC1=NN(C)C2=C1C=CC(Br)=C2 SPC-j528 [0,1,0,1,0,0|1,0,1]=4 84 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 SPC-h924 [0,1,0,1,0,0|1,0,1]=4 85 B13R2.162 C[C@H]1CNCC2=C1C=C(Br)C=C2 SPC-v608 [0,1,0,1,0,0|0,0,0]=2 86 B13R2.3018 CC1(C2=CC=CC(Br)=C2)COC1 SPC-a284 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.3018 CC1=CC=CC(C2(N)COC2)=C1 SPC-a240 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.3018 FC1(C2=CC=CC(Br)=C2)COC1 SPC-w115 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.3018 NC1(C2=CC=CC(Br)=C2)COC1 SPC-a235 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.3018 NC1(C2=CC=CC(Cl)=C2)COC1 SPC-a239 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 SPC-a236 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.3018 NC1(C2=CC=CC(F)=C2)COC1 SPC-t944 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.3018 OC1(C2=CC=CC(Br)=C2)COC1 SPC-a051 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.3018 OC1=CC=CC(C2(O)COC2)=C1 SPC-a055 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.4857 CC1=NN(C)C2=C(Br)C=CC=C12 SPC-j529 [0,1,0,1,0,0|1,0,1]=4 96 B13R2.4857 CC1=NN(C)C2=CC=CC(Br)=C21 SPC-j526 [0,1,0,1,0,0|1,0,1]=4 97 B13R2.238 NC1CC(O)(C2=CC=CC=C2)C1 SPC-v230 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,1,0,1,0,0|2,0,0]=4 100 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,1,0,1,0,0|2,0,0]=4 103 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,1,0,1,0,0|2,0,0]=4 104 B13R2.3569 OC1(C2=C(Br)C=CC=C2)COC1 SPC-w022 [0,1,0,1,0,0|2,0,0]=4 105 B13R3.6977 C1=CC=C(C23CC(C2)C3)C=C1 SPC-a404 [0,0,0,2,0,0|1,0,0]=3