0 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.91 O=C(O)CCC1=CN=NC=C1 SPC-t412 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.91 O=C(O)CCC1=NN=CC=C1 SPC-v656 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.43 O=[N+]([O-])[C@@H](F)CC1=CC=CC=C1 SPC-d111 [0,1,0,0,0,0|3,0,0]=4 4 B12R2.22 NC1CC(C2=CC=CC=C2)C1 SPC-p419 [0,0,0,1,0,0|2,0,1]=4 5 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 SPC-i812 [0,0,0,1,0,0|2,0,1]=4 6 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SPC-s949 [0,0,0,1,0,0|1,0,0]=2 7 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,0,1,0,0|1,0,2]=4 8 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.2403 CC1(C)NCC2=C1C=CC=C2 SPC-n925 [0,0,0,1,0,0|2,0,1]=4 11 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [0,0,0,0,1,0|3,0,0]=4 12 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [0,0,0,0,1,0|3,0,0]=4 13 B11R1.20 CC(C)OC1=CC=C(N)C=C1 SPC-s967 [0,1,0,0,1,0|1,0,1]=4 14 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [0,1,0,0,1,0|2,0,0]=4 15 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [0,1,0,0,1,0|2,0,0]=4 16 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [0,1,0,0,1,0|1,0,0]=3 17 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [0,1,0,0,1,0|2,0,0]=4 18 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [0,1,0,0,1,0|2,0,0]=4 19 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [0,1,0,0,1,0|2,0,0]=4 20 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 SPC-r232 [0,1,0,0,1,0|2,0,0]=4 21 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 SPC-m551 [0,1,0,0,1,0|2,0,0]=4 22 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 SPC-m615 [0,1,0,0,1,0|2,0,0]=4 23 B13R1.718 OC[C@@H](O)COCC1=CC=CC=C1 SPC-t909 [0,1,0,0,0,1|0,0,2]=4 24 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 SPC-t910 [0,1,0,0,0,1|0,0,2]=4 25 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,1,0,0|2,0,0]=4 26 B11R2.1 CC1=NNC2=C1C=CC=C2 SPC-m579 [1,0,0,1,0,0|2,0,0]=4 27 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [1,0,0,1,0,0|2,0,0]=4 28 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [1,0,0,1,0,0|2,0,0]=4 29 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [1,0,0,1,0,0|1,0,0]=3 30 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [1,0,0,1,0,0|2,0,0]=4 31 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|1,0,1]=4 32 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,1,0,0|2,0,0]=4 33 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [0,0,0,1,1,0|1,0,1]=4 34 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [0,0,0,1,1,0|1,0,1]=4 35 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [0,0,0,1,1,0|2,0,0]=4 36 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [0,0,0,1,1,0|2,0,0]=4 37 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [0,0,0,1,1,0|2,0,0]=4 38 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [0,0,0,1,1,0|2,0,0]=4 39 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,1,0,1|2,0,0]=4 40 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,1,0,1|1,1,0]=4 41 B13R2.423 O=C(O)C1CC1C2=CC=CC=C2 SPC-s881 [0,0,0,1,0,1|2,0,0]=4 42 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-k405 [0,0,0,1,0,1|2,0,0]=4 43 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 SPC-s009 [0,0,0,1,0,1|2,0,0]=4 44 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-n632 [0,0,0,1,0,1|2,0,0]=4 45 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 SPC-s016 [0,0,0,1,0,1|2,0,0]=4 46 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 SPC-s013 [0,0,0,1,0,1|2,0,0]=4 47 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SPC-s040 [0,1,0,1,0,0|2,0,0]=4 48 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SPC-k442 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 SPC-j975 [0,1,0,1,0,0|1,0,0]=3 50 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [0,0,0,0,2,0|2,0,0]=4 51 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [0,0,0,0,2,0|2,0,0]=4 52 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [0,0,0,0,2,0|2,0,0]=4 53 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [0,0,0,0,2,0|2,0,0]=4 54 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [0,0,0,0,2,0|0,0,2]=4