0 B12R2.18 NC1=NC2=C(C=CC=C2)N1N CS-0309000 [0,0,0,0,0,0|2,0,1]=3 1 B11R2.1 CC1=CNC2=C1C=CN=C2 CS-0056698 [1,0,0,0,0,0|3,0,0]=4 2 B11R2.1 NC1=CNC2=CC=CN=C12 CS-0141583 [1,0,0,0,0,0|3,0,0]=4 3 B11R2.10 BrC1=CC2=C(C=CN=C2)N1 CS-0161334 [1,0,0,0,0,0|3,0,0]=4 4 B11R2.10 CC1=CC2=CC=CC=C2C1 CS-W021717 [1,0,0,0,0,0|3,0,0]=4 5 B11R2.10 O=C1CC2=CC=NC=C2N1 CS-0052559 [1,0,0,0,0,0|2,0,0]=3 6 B11R2.10 S=C1[N-]C2=CC=CC=C2S1 CS-0109853 [1,0,0,0,0,0|1,1,1]=4 7 B13R2.135 [N-]=[N+]=C1C(=O)NC2=C1C=CC=C2 CS-0653360 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.359 CC1(C)C(=O)NC2=C1C=CC=N2 CS-0197565 [0,1,0,0,0,0|3,0,0]=4 9 B13R2.359 O=C1NC2=CC=CC=C2C1(F)F CS-0190162 [0,1,0,0,0,0|2,0,0]=3 10 B13R2.3028 CN1C(=O)NC2=CC=C(N)C=C21 CS-0371181 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.3028 CN1C2=CC(Br)=CC=C2N=C1N CS-0263469 [0,1,0,0,0,0|2,0,1]=4 12 B13R2.4825 CC1C(=O)NC2=C1C=CC=C2Br CS-0055872 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.4856 CN1C(=O)NC2=CC=CC(N)=C21 CS-0567133 [0,1,0,0,0,0|1,0,0]=2 14 B13R2.5190 CC1=NC2=C(C=CC(O)=C2)N1C CS-0240235 [0,1,0,0,0,0|2,0,1]=4 15 B13R2.5190 CN1C(=O)CC2=C1C=CC(Cl)=C2 CS-0654820 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.5190 CN1C(=O)CC2=CC(Br)=CN=C21 CS-0055949 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.5190 CN1C2=CC=C(Br)C=C2N=C1Cl CS-0864612 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CS-0323911 [0,0,1,0,0,0|1,0,0]=2 19 B11R1.40 COC(=O)NC1=CC=CC=C1 CS-0066443 [0,0,1,0,0,0|2,0,0]=3 20 B13R2.32 CC1=C2C=CC=CC2=CNC1=O CS-0757985 [0,0,0,0,0,1|2,0,0]=3 21 B13R2.32 CN1C(=O)OCC2=CC=CN=C21 CS-0614613 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.328 N=C1SC(=S)NC2=C1C=CC=C2 CS-0222997 [0,0,0,0,0,1|2,1,0]=4 23 B10R1.18 NC(=S)CC1=CC=CC=C1 CS-0206469 [1,0,1,0,0,0|1,1,0]=4 24 B10R1.18 O=C(O)CC1=NC=CC=C1 CS-0096299 [1,0,1,0,0,0|2,0,0]=4 25 B10R1.61 O=C(O)C1=C(F)C=CC=C1 CS-0188334 [1,0,1,0,0,0|2,0,0]=4 26 B10R2.7 C1=CC=C2NC=NC2=C1 CS-0379189 [2,0,0,0,0,0|0,0,1]=3 27 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [0,1,1,0,0,0|2,0,0]=4 28 B12R1.20 O=C(O)C(O)C1=CC=C(O)C=C1 CS-W016914 [0,1,1,0,0,0|2,0,0]=4 29 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(F)C=C1 CS-0634627 [0,1,1,0,0,0|2,0,0]=4 30 B12R1.225 NC1=CC=CC(C(O)C(=O)O)=C1 CS-0884446 [0,1,1,0,0,0|2,0,0]=4 31 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 CS-0435032 [0,1,1,0,0,0|2,0,0]=4 32 B12R1.32 O=C(\C=N\O)NC1=CC=CC=C1 CS-0448494 [0,1,1,0,0,0|0,0,1]=3 33 B12R1.49 CNC(=O)CC1=CC=C(O)C=C1 CS-0061780 [0,1,1,0,0,0|2,0,0]=4 34 B12R1.50 COC(=O)NC1=CC=CC(Cl)=C1 CS-0576221 [0,1,1,0,0,0|2,0,0]=4 35 B12R1.268 COC1=C(NC=O)C=C(N)C=C1 CS-0715923 [0,1,1,0,0,0|2,0,0]=4 36 B12R1.283 O=CNC1=CC=CC=C1C(=O)O CS-0320340 [0,1,1,0,0,0|1,0,0]=3 37 B12R2.132 CC1=CNC2=C1C=C(F)C=C2 CS-0063939 [1,1,0,0,0,0|2,0,0]=4 38 B12R2.132 CN1C=NC2=CC=C(O)C=C21 CS-0159315 [1,1,0,0,0,0|1,0,1]=4 39 B12R2.132 ClC1=CNC2=C1C=C(Br)C=C2 CS-0375925 [1,1,0,0,0,0|2,0,0]=4 40 B12R2.132 NC1=CC2=C(C=C1)NC=C2Br CS-0284272 [1,1,0,0,0,0|2,0,0]=4 41 B12R2.203 CC1=CNC2=CC=CC(F)=C12 CS-0439764 [1,1,0,0,0,0|2,0,0]=4 42 B12R2.203 CN1C=NC2=CC=CC(Br)=C21 CS-0097283 [1,1,0,0,0,0|1,0,1]=4 43 B12R2.612 NC1=CNC2=CC(Br)=CC=C12 CS-0255974 [1,1,0,0,0,0|2,0,0]=4 44 B12R2.2028 CN1C=C(N)C2=C1C=CC=C2 CS-0693770 [1,1,0,0,0,0|2,0,0]=4 45 B12R2.32 SCC1=NC2=CC=CC=C2N1 CS-0261592 [1,1,0,0,0,0|0,1,1]=4 46 B12R2.202 CC1=C2N=C(Cl)NC2=CC=C1 CS-D0277 [1,1,0,0,0,0|1,0,1]=4 47 B12R2.202 CC1=CC=CC2=C1CC(=O)N2 CS-W022220 [1,1,0,0,0,0|1,0,0]=3 48 B12R2.202 CC1=NC2=CC=CC(Cl)=C2N1 CS-0186982 [1,1,0,0,0,0|1,0,1]=4 49 B12R2.202 ClC1=NC2=CC=CC(Br)=C2N1 CS-0375933 [1,1,0,0,0,0|1,0,1]=4 50 B12R2.202 FC1=C2OC(=S)NC2=CC=C1 CS-0512767 [1,1,0,0,0,0|1,1,0]=4 51 B12R2.202 NC1=C2NC(=O)OC2=CC=C1 CS-0157001 [1,1,0,0,0,0|1,0,0]=3 52 B12R2.202 O=C1CC2=C(C1)C(F)=CC=C2 CS-0181806 [1,1,0,0,0,0|2,0,0]=4 53 B12R2.202 O=C1NC2=C(Br)C=CC=C2O1 CS-0127631 [1,1,0,0,0,0|1,0,0]=3 54 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [1,1,0,0,0,0|0,0,0]=2 55 B12R2.606 FC1=CC=C2SC(=S)NC2=C1 CS-0040885 [1,1,0,0,0,0|1,1,0]=4 56 B12R2.606 NC1=CN=C2NC(=O)CC2=C1 CS-B0574 [1,1,0,0,0,0|2,0,0]=4 57 B12R2.606 O=C1CC2=CC(Br)=CC=C2O1 CS-0309366 [1,1,0,0,0,0|2,0,0]=4 58 B12R2.606 O=C1CC2=CC(Cl)=CC=C2O1 CS-0166883 [1,1,0,0,0,0|2,0,0]=4 59 B12R2.606 OC1=CC=C2N=C(Cl)NC2=C1 CS-0617857 [1,1,0,0,0,0|1,0,1]=4 60 B12R2.606 S=C1NC2=CC(Br)=CN=C2N1 CS-0084859 [1,1,0,0,0,0|1,1,0]=4 61 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 CS-0151121 [0,1,0,0,0,1|1,0,0]=3 62 B14R2.8188 CC1=NC2=CC=CC=C2N(C)C1=O CS-0282450 [0,1,0,0,0,1|1,0,1]=4 63 B14R2.8188 CN1C(=O)C(=O)NC2=CC=CC=C21 CS-0199024 [0,1,0,0,0,1|1,0,0]=3 64 B14R2.8188 CN1C(=O)C(Br)=CC2=CC=CC=C21 CS-W020422 [0,1,0,0,0,1|2,0,0]=4 65 B14R2.29369 CN1C(=O)C=CC2=CC(Br)=CC=C21 CS-0340490 [0,1,0,0,0,1|2,0,0]=4 66 B14R2.1146 O=C1C=C(CCl)C2=C(C=CC=C2)N1 CS-0432835 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.8235 CC1=CC2=C(C=C1)NC(=O)NC2=O CS-D0548 [0,1,0,0,0,1|1,0,1]=4 68 B14R2.29365 CC1=NC2=C(C=C1)C(O)=CC(=O)N2 CS-B1689 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.29365 O=C1NC2=C(C=CC(I)=C2)C(=O)O1 CS-0687529 [0,1,0,0,0,1|1,0,1]=4 70 B14R2.215 CC1=C(C=O)N(C)C2=C1C=CC=C2 CS-0237949 [0,2,0,0,0,0|2,0,0]=4 71 B14R2.517 O=C1NC2=CC=CC=C2N1CCCl CS-0027382 [0,2,0,0,0,0|1,0,0]=3 72 B14R2.642 O=C(O)C1=C(Cl)NC2=CC=CC=C21 CS-0213342 [0,2,0,0,0,0|2,0,0]=4 73 B14R2.4217 O=C1NC2=C(C=CC(Cl)=C2)\C1=N\O CS-0626905 [0,2,0,0,0,0|1,0,0]=3 74 B14R2.4506 CC1=CC=C2NC(=O)C(=O)C2=C1Br CS-W022110 [0,2,0,0,0,0|1,0,1]=4 75 B14R2.4506 CN1C(=O)NC2=CC=C(Br)C(F)=C21 CS-0783591 [0,2,0,0,0,0|1,0,0]=3 76 B14R2.8737 NC1C(=O)NC2=C1C=CC(Cl)=C2Cl CS-0259449 [0,2,0,0,0,0|2,0,0]=4 77 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 CS-0120025 [0,0,1,1,0,0|2,0,0]=4 78 B12R2.24 O=C1COC2=C(C=CN=C2)N1 CS-0312233 [0,0,1,1,0,0|2,0,0]=4 79 B12R1.27 NCC(=O)NCC1=CC=CC=C1 CS-0186551 [0,0,1,0,0,1|2,0,0]=4 80 B14R2.287 CN1CCC(=O)NC2=CN=CC=C21 CS-0263651 [0,0,0,0,0,2|2,0,0]=4