0 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SPC-u462 [0,0,0,0,0,0|3,0,0]=3 1 B13R2.5190 O=C1NC2=C(C=CC(Br)=C2)C1=O SPC-s387 [0,0,0,0,0,0|1,1,1]=3 2 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [1,0,0,0,0,0|3,0,0]=4 3 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [1,0,0,0,0,0|3,0,0]=4 4 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [1,0,0,0,0,0|3,0,0]=4 5 B12R2.18 O=C1NC2=C(C=CC=N2)C1=O SPC-s172 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.606 CC1=CC2=C(C=C(I)C=C2)N1 SPC-k545 [1,0,0,0,0,0|2,1,0]=4 7 B12R2.606 CC1=CC2=C(C=C(N)C=C2)N1 SPC-p235 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 SPC-u070 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 SPC-h316 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.606 O=C1CC2=C(C=C(Br)C=C2)N1 SPC-g349 [1,0,0,0,0,0|1,1,0]=3 11 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 SPC-p794 [1,0,0,0,0,0|1,1,0]=3 12 B12R2.606 O=C1CC2=C(C=CC(Br)=C2)N1 SPC-g276 [1,0,0,0,0,0|1,1,0]=3 13 B12R2.606 O=C1CC2=C(C=CC(Br)=N2)N1 SPC-h599 [1,0,0,0,0,0|2,1,0]=4 14 B12R2.606 O=C1CC2=C(C=CC(Cl)=N2)N1 SPC-n210 [1,0,0,0,0,0|2,1,0]=4 15 B12R2.606 O=C1CC2=C(N=C(Cl)C=C2)N1 SPC-j422 [1,0,0,0,0,0|2,1,0]=4 16 B12R2.606 O=C1CC2=CC(Br)=CN=C2N1 SPC-g751 [1,0,0,0,0,0|2,1,0]=4 17 B12R2.606 O=C1CC2=CC(Br)=NC=C2N1 SPC-k176 [1,0,0,0,0,0|2,1,0]=4 18 B12R2.606 O=C1CC2=CC(Cl)=CN=C2N1 SPC-j377 [1,0,0,0,0,0|2,1,0]=4 19 B12R2.606 O=C1CC2=CC(Cl)=NC=C2N1 SPC-j406 [1,0,0,0,0,0|2,1,0]=4 20 B12R2.606 O=C1CC2=CC(F)=CN=C2N1 SPC-q533 [1,0,0,0,0,0|2,0,0]=3 21 B12R2.606 O=C1CC2=CN=C(Cl)C=C2N1 SPC-p787 [1,0,0,0,0,0|2,1,0]=4 22 B12R2.606 O=C1CC2=NC=C(Br)C=C2N1 SPC-j539 [1,0,0,0,0,0|2,1,0]=4 23 B12R2.606 O=C1CC2=NC=C(Cl)C=C2N1 SPC-m539 [1,0,0,0,0,0|2,1,0]=4 24 B12R2.612 CC1=CNC2=C1C=CC(Br)=C2 SPC-p772 [1,0,0,0,0,0|2,1,0]=4 25 B12R2.612 CC1=CNC2=C1C=CC(N)=C2 SPC-p402 [1,0,0,0,0,0|3,0,0]=4 26 B12R2.612 CC1=CNC2=C1C=CC(O)=C2 SPC-t978 [1,0,0,0,0,0|3,0,0]=4 27 B12R2.612 CN1C=NC2=C1C=CC(Br)=C2 SPC-p643 [1,0,0,0,0,0|1,1,1]=4 28 B12R2.612 FC1=CC2=C(C=C1)C(Cl)=NN2 SPC-p362 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.4646 CC1(C)C(=O)NC2=C1C=CC(Br)=C2 SPC-k061 [0,1,0,0,0,0|2,1,0]=4 30 B14R2.4646 O=C1NC2=C(C=CC(Br)=C2)C1(F)F SPC-s388 [0,1,0,0,0,0|2,1,0]=4 31 B14R2.8737 O=C1NC2=C(C=CC(Br)=C2F)C1=O SPC-n252 [0,1,0,0,0,0|1,1,1]=4 32 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [0,0,1,0,0,0|3,0,0]=4 33 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 SPC-t903 [0,0,0,0,0,1|2,1,0]=4 34 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 SPC-m551 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 SPC-m615 [1,0,1,0,0,0|2,0,0]=4 36 B11R1.166 NC1=CC(F)=CN=C1C(=O)O SPC-t445 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.166 NC1=CC(F)=NC=C1C(=O)O SPC-p489 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.166 O=C(O)C1=C(Cl)C=C(F)C=C1 SPC-k263 [1,0,1,0,0,0|2,0,0]=4 39 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [2,0,0,0,0,0|2,0,0]=4 40 B11R2.1 ClC1=CNC2=C1C=CC=C2 SPC-n094 [2,0,0,0,0,0|2,0,0]=4 41 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [2,0,0,0,0,0|2,0,0]=4 42 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [2,0,0,0,0,0|2,0,0]=4 43 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [2,0,0,0,0,0|2,0,0]=4 44 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [2,0,0,0,0,0|2,0,0]=4 45 B11R2.36 BrC1=CC2=C(C=C1)NC=C2 SPC-g032 [2,0,0,0,0,0|1,1,0]=4 46 B11R2.36 BrC1=CC2=C(C=CN2)C=C1 SPC-g469 [2,0,0,0,0,0|1,1,0]=4 47 B11R2.36 CC1=CC2=C(C=C1)NC=C2 SPC-m390 [2,0,0,0,0,0|2,0,0]=4 48 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 SPC-h781 [2,0,0,0,0,0|1,1,0]=4 49 B11R2.36 ClC1=CC2=C(C=CN2)C=C1 SPC-g122 [2,0,0,0,0,0|1,1,0]=4 50 B11R2.36 FC1=CC2=C(C=C1)C=NN2 SPC-j450 [2,0,0,0,0,0|2,0,0]=4 51 B11R2.36 FC1=CC2=C(C=CN2)C=C1 SPC-m474 [2,0,0,0,0,0|1,0,0]=3 52 B11R2.36 FC1=CN=C2NC=CC2=C1 SPC-j236 [2,0,0,0,0,0|2,0,0]=4 53 B11R2.36 FC1=NC2=C(C=CN2)C=C1 SPC-m320 [2,0,0,0,0,0|2,0,0]=4 54 B11R2.36 IC1=CC2=C(C=CN2)C=C1 SPC-h225 [2,0,0,0,0,0|1,1,0]=4 55 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SPC-j070 [1,1,0,0,0,0|2,0,0]=4 56 B13R2.3028 O=C1NC2=C(C=C(I)C=C2)C1=O SPC-p708 [1,1,0,0,0,0|1,0,1]=4 57 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 SPC-q924 [1,1,0,0,0,0|2,0,0]=4 58 B13R2.2121 O=C1CC2=C(C=CC(CO)=C2)N1 SPC-p606 [1,1,0,0,0,0|2,0,0]=4 59 B13R2.3050 O=C1CC2=C(N=CC(F)=C2Cl)N1 SPC-p542 [1,1,0,0,0,0|2,0,0]=4 60 B13R2.5397 O=C1CC2=CC(F)=CC(Br)=C2N1 SPC-n279 [1,1,0,0,0,0|1,0,0]=3 61 B13R2.5397 O=C1CC2=CC(F)=CC(Cl)=C2N1 SPC-k377 [1,1,0,0,0,0|1,0,0]=3 62 B13R2.5397 O=C1CC2=CC(F)=CC(F)=C2N1 SPC-q915 [1,1,0,0,0,0|1,0,0]=3 63 B13R2.13083 O=C1CC2=CC(Cl)=C(Br)C=C2N1 SPC-k385 [1,1,0,0,0,0|1,1,0]=4 64 B13R2.13083 O=C1CC2=CC(Cl)=C(Cl)C=C2N1 SPC-j736 [1,1,0,0,0,0|1,1,0]=4 65 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(F)=C2 SPC-p701 [0,2,0,0,0,0|2,0,0]=4 66 B13R2.155 O=C1C=CC2=C(C=C(F)C=C2)N1 SPC-p854 [0,0,1,1,0,0|2,0,0]=4 67 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [1,0,0,0,0,1|2,0,0]=4 68 B13R2.369 O=C1NC2=C(C=CC=C2)N=C1Cl SPC-p357 [1,0,0,0,0,1|2,0,0]=4 69 B13R2.3683 NC1=CC2=C(C=C1)NC(=O)C=C2 SPC-s383 [1,0,0,0,0,1|2,0,0]=4 70 B13R2.3683 O=C1N=CC2=C(C=CC(Br)=C2)N1 SPC-h322 [1,0,0,0,0,1|0,1,1]=4 71 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 SPC-j975 [1,0,0,0,0,1|1,1,0]=4