0 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 OCCCC1=NC=CC=C1 SPC-g488 [1,0,0,0,0,0|3,0,0]=4 2 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,1,0,0,0,0|2,0,1]=4 3 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.194 C#CC(C)(C)CC1=CC=CC=C1 SPC-s023 [0,1,0,0,0,0|1,0,1]=3 5 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,0,0,1,0,0|2,0,1]=4 6 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,1,0,0|2,0,1]=4 7 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SPC-k227 [0,0,0,1,0,0|3,0,0]=4 8 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SPC-j846 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,0,0,1,0,0|2,0,1]=4 10 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s066 [0,0,0,1,0,0|3,0,0]=4 11 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 SPC-s103 [0,0,0,1,0,0|3,0,0]=4 12 B12R2.24 O[C@H]1CNC2=C(C=CC=C2)C1 SPC-s053 [0,0,0,1,0,0|3,0,0]=4 13 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [0,0,0,1,0,0|3,0,0]=4 14 B12R2.2058 C1=CC=C(NC2COC2)C=C1 SPC-a294 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 SPC-h847 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.8 CNCC1=CN=CN=C1 SPC-q180 [2,0,0,0,0,0|2,0,0]=4 18 B9R1.8 CNCC1=NC=CC=N1 SPC-q184 [2,0,0,0,0,0|2,0,0]=4 19 B9R1.8 NCCC1=NC=CC=N1 SPC-p100 [2,0,0,0,0,0|2,0,0]=4 20 B9R1.8 NCCC1=NC=NC=C1 SPC-u400 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.8 NNCC1=CC=CN=C1 SPC-g976 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 NNCC1=CC=NC=C1 SPC-j054 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.8 NNCC1=CC=NC=C1 SPC-p443 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.8 NNCC1=NC=CC=C1 SPC-g975 [2,0,0,0,0,0|2,0,0]=4 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [1,1,0,0,0,0|1,0,0]=3 27 B11R1.20 CC(C)OC1=NC=C(N)C=C1 SPC-v002 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 SPC-t107 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.36 O[C@H](C1=CC=CC=C1)C(F)F SPC-d078 [1,1,0,0,0,0|2,0,0]=4 30 B11R2.4 NC1CC1C2=CC=CC=C2 SPC-q828 [1,0,0,1,0,0|2,0,0]=4 31 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n633 [1,0,0,1,0,0|2,0,0]=4 32 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 SPC-p937 [1,0,0,1,0,0|2,0,0]=4 33 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|0,0,0]=2 34 B11R2.20 C1=CN=C2CCNCC2=C1 SPC-u452 [1,0,0,1,0,0|1,0,0]=3 35 B11R2.20 C1=CN=C2CNCCC2=C1 SPC-p618 [1,0,0,1,0,0|1,0,0]=3 36 B11R2.20 C1=NC=C2CCNCC2=N1 SPC-p704 [1,0,0,1,0,0|2,0,0]=4 37 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,1,0,0|1,0,0]=3 38 B11R2.239 C1=CN=C(C2CNC2)C=C1 SPC-v060 [1,0,0,1,0,0|1,0,0]=3 39 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [1,0,0,1,0,0|0,0,0]=2 40 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [1,0,0,1,0,0|0,0,0]=2 41 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 SPC-k317 [0,0,0,1,0,1|1,0,0]=3 42 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 SPC-a175 [0,0,0,1,0,1|2,0,0]=4 43 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 SPC-i594 [0,1,0,1,0,0|2,0,0]=4 44 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 SPC-g270 [0,1,0,1,0,0|2,0,0]=4 45 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-i766 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-n042 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,1,0,1,0,0|2,0,0]=4 48 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 49 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 50 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 51 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 52 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 53 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SPC-j070 [0,1,0,1,0,0|1,0,1]=4 54 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 SPC-v550 [0,1,0,1,0,0|0,0,0]=2 55 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 SPC-h707 [0,1,0,1,0,0|2,0,0]=4 56 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SPC-u462 [0,1,0,1,0,0|1,0,1]=4 57 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 SPC-t105 [0,1,0,1,0,0|1,0,1]=4 58 B9R1.6 CC(C)C1=NC=CC=C1 SPC-g429 [1,0,0,0,1,0|1,0,0]=3 59 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,1,0|1,0,0]=3