0 B23R3.16441448 CC1N=C(C2=C(C=CC(=C2)Br)N=C1O)C3=CC=CC=C3Cl MCULE-5596895210 [0,0,0,0,0,0|1,1,2]=4 1 B23R3.16441448 C[C@@H]1N=C(C2=CC(=CC=C2NC1=O)Br)C3=CC=CC=C3F MCULE-4288102339 [0,0,0,0,0,0|1,2,0]=3 2 B23R3.16441448 O=C1NC2=C(C=C(C=C2)Br)C(=NC1O)C3=CC=CC=C3Cl MCULE-3436851686 [0,0,0,0,0,0|0,1,0]=1 3 B23R3.16441448 O=C1NC2=C(C=C(C=C2)Cl)C(=N[C@H]1O)C3=CC=CC=C3Cl MCULE-8083826442 [0,0,0,0,0,0|0,0,0]=0 4 B23R3.16441448 O=C1NC2=CC=C(N=C2C(=NC1O)C3=CC=CC=C3Cl)Cl MCULE-2075032615 [0,0,0,0,0,0|1,0,0]=1 5 B22R3.5616688 CC1=CC=CC=C1C2=NCC(=S)NC3=C2C=C(C=C3)Cl MCULE-9936375203 [1,0,0,0,0,0|1,1,0]=3 6 B22R3.5616688 NC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3Cl MCULE-6686856579 [1,0,0,0,0,0|1,0,0]=2 7 B22R3.5616688 O=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=C(C=CC=C3)F MCULE-9080855252 [1,0,0,0,0,0|0,2,0]=3 8 B22R3.5616688 O=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3Br MCULE-6677159932 [1,0,0,0,0,0|0,2,0]=3 9 B22R3.5616688 O=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3Cl MCULE-5571390807 [1,0,0,0,0,0|0,1,0]=2 10 B22R3.5616688 O=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3Br MCULE-9416771172 [1,0,0,0,0,0|0,1,0]=2 11 B22R3.5616688 O=C1CN=C(C2=CC(=CC=C2N1)Cl)C3=C(C=CC=C3)Cl MCULE-8414231364 [1,0,0,0,0,0|0,0,0]=1 12 B22R3.5616688 O=C1CN=C(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3F MCULE-2228120601 [1,0,0,0,0,0|0,1,0]=2 13 B22R3.5616688 O=C1CNC(C2=C(N1)C=CC(=C2)Br)C3=C(C=CC=C3)Cl MCULE-1902526606 [1,0,0,0,0,0|0,1,2]=4 14 B22R3.5616688 O=C1CNC(C2=C(N1)C=CC(=C2)Cl)C3=C(C=CC=C3)F MCULE-2373670307 [1,0,0,0,0,0|0,1,2]=4 15 B22R3.5616688 O=C1CSC(C2=CC(=CC=C2N1)Cl)C3=C(C=CC=C3)Cl MCULE-4811719958 [1,0,0,0,0,0|1,0,1]=3 16 B22R3.5616688 S=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=C(C=CC=C3)Cl MCULE-2292511410 [1,0,0,0,0,0|0,1,0]=2 17 B22R3.10622968 CC1=CC=C2N=C(C(N=C(C2=C1)C3=CC=CC=C3)O)O MCULE-8357991876 [1,0,0,0,0,0|1,0,2]=4 18 B22R3.10622968 CC1N=C(C2=CC(=CC=C2NC1=O)Cl)C3=CC=CC=C3 MCULE-8265134717 [1,0,0,0,0,0|1,0,0]=2 19 B22R3.10622968 NC1=NC(=C2C=C(C=CC2=NC1=O)Cl)C3=CC=CC=C3 MCULE-5521488854 [1,0,0,0,0,0|1,0,2]=4 20 B22R3.10622968 NC1N=C(C2=C(C=CC(=C2)Br)NC1=O)C3=CC=CC=C3 MCULE-4155756197 [1,0,0,0,0,0|1,1,0]=3 21 B22R3.10622968 NC1N=C(C2=C(C=CC(=C2)Cl)NC1=O)C3=CC=CC=C3 MCULE-5212167722 [1,0,0,0,0,0|1,0,0]=2 22 B22R3.10622968 O=C1NC2=C(C=C(C=C2)Cl)C(=NC1O)C3=CC=CC=C3 MCULE-9052741554 [1,0,0,0,0,0|0,0,0]=1 23 B22R3.10622968 O=C1NC2=CC=C(C=C2C(=NC1O)C3=CC=CC=C3)Br MCULE-4077497717 [1,0,0,0,0,0|0,1,0]=2 24 B22R2.2374901 NCC(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=C(C=CC=C2)Cl MCULE-1706123733 [0,0,1,0,0,0|2,1,0]=4 25 B22R2.2374901 NCC(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=C(C=CC=C2)Cl MCULE-4258847982 [0,0,1,0,0,0|2,1,0]=4 26 B22R2.2374901 O=C(CBr)NC1=C(C=C(C=C1)Br)C(=O)C2=C(C=CC=C2)Cl MCULE-2011561046 [0,0,1,0,0,0|2,1,0]=4 27 B22R2.2374901 O=C(CBr)NC1=C(C=C(C=C1)Cl)C(=O)C2=C(C=CC=C2)Cl MCULE-9877013826 [0,0,1,0,0,0|2,0,0]=3 28 B22R2.2374901 O=C(CBr)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2F)Cl MCULE-7393517749 [0,0,1,0,0,0|2,1,0]=4 29 B22R2.2374901 O=C(CCl)NC1=C(C=C(C=C1)Cl)C(=O)C2=C(C=CC=C2)F MCULE-7777972202 [0,0,1,0,0,0|2,1,0]=4 30 B22R2.2374901 O=C(CCl)NC1=CC=C(C=C1C(=O)C2=C(C=CC=C2)Cl)Cl MCULE-2300728889 [0,0,1,0,0,0|2,0,0]=3 31 B22R2.2374901 O=C(CCl)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2Cl)Br MCULE-2489817040 [0,0,1,0,0,0|2,1,0]=4 32 B22R2.2374901 O=C(CI)NC1=C(C=C(C=C1)Br)C(=O)C2=CC=CC=C2Cl MCULE-8792364453 [0,0,1,0,0,0|2,1,0]=4 33 B21R2.365388 CC1=CC=C(C=C1)NC(=O)ON=CC2=C(C=CC=C2)Cl MCULE-7839907713 [1,0,1,0,0,0|2,0,0]=4 34 B21R2.365388 O=C(CSCC1=C(C=CC=C1)Cl)NC2=CC=C(C=C2)Cl MCULE-7016532470 [1,0,1,0,0,0|1,0,1]=4 35 B21R2.365388 O=C(NC1=CC=C(C=C1)Cl)ON=CC2=C(C=CC=C2)Cl MCULE-9392033376 [1,0,1,0,0,0|1,0,0]=3 36 B21R2.225976 CC(=O)NC1=C(C=C(C=C1)Br)C(=O)C2=C(C=CC=C2)Cl MCULE-4813103768 [1,0,1,0,0,0|1,1,0]=4 37 B21R2.225976 CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=C(C=CC=C2)Cl MCULE-2012023240 [1,0,1,0,0,0|1,0,0]=3 38 B21R2.225976 CC(=O)NC1=CC=C(C=C1C(=O)C2=C(C=CC=C2)F)Cl MCULE-7595144967 [1,0,1,0,0,0|1,1,0]=4 39 B21R2.507331 CCC(=O)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Cl MCULE-6190810928 [1,0,1,0,0,0|2,0,0]=4 40 B21R2.507331 O=C(CBr)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Cl MCULE-5904647104 [1,0,1,0,0,0|2,0,0]=4 41 B21R2.507331 O=C(CCl)NC1=CC=C(C=C1C(=O)C2=CC=CC=C2)Cl MCULE-8785830102 [1,0,1,0,0,0|2,0,0]=4 42 B21R3.157575 CC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3 MCULE-5803043183 [2,0,0,0,0,0|1,0,0]=3 43 B21R3.157575 NC1=CC=C2NC(=O)CN=C(C2=C1)C3=CC=CC=C3 MCULE-5421679366 [2,0,0,0,0,0|1,0,0]=3 44 B21R3.157575 NC1=NC2=CC=C(C=C2C(=NC1)C3=CC=CC=C3)Cl MCULE-3731089663 [2,0,0,0,0,0|1,0,1]=4 45 B21R3.157575 O=C1CN=C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3 MCULE-9455844546 [2,0,0,0,0,0|0,1,0]=3 46 B21R3.157575 O=C1CSC(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 MCULE-5938873622 [2,0,0,0,0,0|1,0,1]=4 47 B21R3.157575 OC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3 MCULE-2705262252 [2,0,0,0,0,0|0,0,2]=4 48 B21R3.157575 S=C1CN=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3 MCULE-9360651547 [2,0,0,0,0,0|0,1,0]=3 49 B21R3.157698 O=C1CN=C(C2=C(N1)C=CC=C2)C3=CC=CC=C3Cl MCULE-6986803954 [2,0,0,0,0,0|0,0,0]=2 50 B21R3.413840 NC1N=C(C2=CC=CC=C2NC1=O)C3=CC=CC=C3 MCULE-6765475818 [2,0,0,0,0,0|1,0,0]=3 51 B21R3.413840 N[C@H]1N=C(C2=CC=CC=C2NC1=O)C3=CC=CC=C3 MCULE-3078612824 [2,0,0,0,0,0|1,0,0]=3 52 B21R3.413840 OC1=NC2=CC=CC=C2C(=NC1O)C3=CC=CC=C3 MCULE-3188511601 [2,0,0,0,0,0|0,0,2]=4 53 B23R3.5055796 N/N=C\1/CN=C(C2=CC(=CC=C2N1)Cl)C3=CC=CC=C3Cl MCULE-6444571599 [1,1,0,0,0,0|1,0,0]=3 54 B23R3.16509473 O=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=C(C=CC=C3)Cl)O MCULE-9184346953 [1,1,0,0,0,0|0,0,2]=4 55 B23R3.17129146 CN1C(=O)CN=C(C2=C1C=CC(=C2)Br)C3=C(C=CC=C3)Cl MCULE-3197527140 [1,1,0,0,0,0|0,1,0]=3 56 B23R3.17129146 CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F MCULE-4855484286 [1,1,0,0,0,0|1,1,0]=4 57 B23R3.17129146 CN1C(=O)CN=C(C2=CC(=CC=C12)Br)C3=CC=CC=C3Cl MCULE-1403413318 [1,1,0,0,0,0|0,1,0]=3 58 B23R3.17129146 CN1C(=O)CN=C(C2=CC(=CC=C12)Cl)C3=CC=CC=C3Cl MCULE-3788470635 [1,1,0,0,0,0|0,0,0]=2 59 B23R3.434200716 O=C1CN=C(C2=CC(=CC=C2N1)Cl)C3=C(C=CC=C3F)F MCULE-4553918878 [1,1,0,0,0,0|0,1,0]=3 60 B23R3.166385 NC1N=C(C2=CC=C(C=C2NC1=O)Cl)C3=CC=CC=C3F MCULE-2976535654 [1,1,0,0,0,0|1,1,0]=4 61 B25R3.531132214 C[C@@H]1N=C(C2=CC(=CC=C2NC1=O)[N+](=O)[O-])C3=CC=CC=C3Cl MCULE-7600571927 [0,2,0,0,0,0|2,0,0]=4 62 B25R3.208584465 O=C(O)C1N=C(C2=CC(=CC=C2NC1=O)Cl)C3=CC=CC=C3F MCULE-9222477932 [0,2,0,0,0,0|0,1,0]=3 63 B21R3.3936521 O=C1CN=C(C2=C(N1)SC(=C2)Cl)C3=C(C=CC=C3)Cl MCULE-9753778969 [1,0,0,0,1,0|1,0,0]=3 64 B21R3.6885537 CC1=CC2=C(C=C1)NC(=O)CC2C3=C(C=CC=C3)Cl MCULE-1047562236 [1,0,0,0,1,0|1,0,1]=4 65 B21R3.6885537 O=C1N=C(C2=C(N1)C=CC(=C2)Br)C3=C(C=CC=C3)Cl MCULE-6525393417 [1,0,0,0,1,0|0,1,0]=3 66 B21R3.6885537 O=C1N=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3Cl MCULE-2023014390 [1,0,0,0,1,0|0,0,0]=2 67 B21R3.6885537 O=C1N=C(C2=C(N1)C=CC(=C2)Cl)C3=CC=CC=C3F MCULE-8634210343 [1,0,0,0,1,0|0,1,0]=3 68 B21R3.6885537 O=C1N=C(C2=C(N1)C=CC(=C2)F)C3=CC=CC=C3Cl MCULE-1660010093 [1,0,0,0,1,0|0,1,0]=3