0 B18R3.422788 BrC1=C(C2=C(C=CC=C2)C3=C1C=CC=C3)Br MCULE-3217224403 [0,0,0,0,0,0|4,0,0]=4 1 B18R3.422788 NC1=C(C2=C(C=CC=C2)C3=C1C=CC=C3)Br MCULE-7875008306 [0,0,0,0,0,0|4,0,0]=4 2 B18R3.422788 NC1=C2C=CC=CC2=C3C=CC=CC3=C1N MCULE-9863741542 [0,0,0,0,0,0|4,0,0]=4 3 B18R3.422788 O=C1C(=O)C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-9308842057 [0,0,0,0,0,0|2,0,0]=2 4 B18R3.422788 O=C1C(=O)C2=C(C=CC=N2)C3=C1N=CC=C3 MCULE-8198984599 [0,0,0,0,0,0|0,0,0]=0 5 B18R3.422788 O=C1C(=O)C2=C(N=CC=C2)C3=NC=CC=C13 MCULE-6208792454 [0,0,0,0,0,0|4,0,0]=4 6 B17R3.54615 BrC1=C2C=CC=CC2=C3C=CC=CC3=C1 MCULE-4894795534 [1,0,0,0,0,0|3,0,0]=4 7 B17R3.54615 CC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7692434291 [1,0,0,0,0,0|3,0,0]=4 8 B17R3.54615 ClC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-8487782162 [1,0,0,0,0,0|3,0,0]=4 9 B17R3.54615 ClC1=NC2=NC=CC=C2C3=CC=CC=C13 MCULE-3872538610 [1,0,0,0,0,0|3,0,0]=4 10 B17R3.54615 IC1=CC2=C(C=CC=C2)C3=CC=CC=C13 MCULE-4023373129 [1,0,0,0,0,0|3,0,0]=4 11 B17R3.54615 NC1=CC2=CC=CC=C2C3=C1C=CC=C3 MCULE-1628285034 [1,0,0,0,0,0|3,0,0]=4 12 B17R3.54615 O=C1NC2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-7620392745 [1,0,0,0,0,0|3,0,0]=4 13 B17R3.54615 O=C1NC2=C(C=CC=N2)C3=C1C=CC=C3 MCULE-6447973974 [1,0,0,0,0,0|2,0,0]=3 14 B17R3.54615 O=C1OC2=C(C=CC=C2)C3=C1N=CC=N3 MCULE-3011747037 [1,0,0,0,0,0|3,0,0]=4 15 B17R3.54615 O=C1OC2=C(C=CC=C2)C3=CC=CC=C13 MCULE-2825758570 [1,0,0,0,0,0|3,0,0]=4 16 B17R3.54615 O=C1OC2=CC=CC=C2C3=C1N=CC=C3 MCULE-9883320660 [1,0,0,0,0,0|2,0,0]=3 17 B17R3.54615 OC1=CC2=CC=CC=C2C3=CC=CC=C13 MCULE-1643052509 [1,0,0,0,0,0|2,0,1]=4 18 B19R3.38864 O=C1C(=CO)C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-1628347744 [0,1,0,0,0,0|2,0,1]=4 19 B19R3.444415 O=C1C(=O)C2=CC=C(C=C2C3=CC=CC=C13)Br MCULE-5548121486 [0,1,0,0,0,0|2,0,0]=3 20 B19R3.2463131 O=C1C(=O)C2=C(C=CC=C2)C3=CC=C(C=C13)Br MCULE-6248703842 [0,1,0,0,0,0|2,0,0]=3 21 B17R2.231 COC(=O)C1=CC=CC=C1C2=CC=CN=C2 MCULE-5872401578 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.2758 O=CC1=CC=CC=C1C2=CC=CC=C2C=O MCULE-3439477224 [0,0,1,0,0,0|2,0,0]=3 23 B17R2.10205 O=C(C(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1752553253 [0,0,1,0,0,0|2,0,0]=3 24 B17R2.10205 O=C(C(=O)C1=NC=CC=C1)C2=NC=CC=C2 MCULE-7266097525 [0,0,1,0,0,0|0,0,0]=1 25 B17R2.10205 O=C(C1=NC=CC=C1)C(O)C2=NC=CC=C2 MCULE-5079717698 [0,0,1,0,0,0|0,0,2]=3 26 B19R3.2184606 O=C1C(=O)C2=C(C=CC=C2)NC3=C1C=CC=C3 MCULE-5408471390 [0,0,0,0,0,1|2,0,0]=3 27 B19R3.2937660 O=C1NC(=O)C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2998864699 [0,0,0,0,0,1|2,0,0]=3 28 B19R3.2937660 O=C1OC(=O)C2=C(C=CC=C2)C3=C1C=CC=C3 MCULE-2259330924 [0,0,0,0,0,1|2,0,0]=3 29 B16R2.87 O=C(O)C1=C(C=CC=C1)C2=CC=CN=C2 MCULE-5721182678 [1,0,1,0,0,0|1,0,1]=4 30 B16R2.87 O=C(O)C1=NC=CC=C1C2=CC=CC=C2 MCULE-1878910182 [1,0,1,0,0,0|1,0,1]=4 31 B16R2.87 O=C(O)C1=NC=CC=C1C2=CC=CC=C2 MCULE-9202227344 [1,0,1,0,0,0|1,0,1]=4 32 B16R2.87 O=N(=O)C1=CC=CC=C1C2=CC=CN=C2 MCULE-3673483385 [1,0,1,0,0,0|2,0,0]=4 33 B16R2.88 O=C(CC1=CC=CC=C1)C2=NC=CC=C2 MCULE-8722200343 [1,0,1,0,0,0|1,0,1]=4 34 B16R2.88 O=C(CC1=NC=CC=C1)C2=CC=CC=C2 MCULE-2446556179 [1,0,1,0,0,0|1,0,1]=4 35 B16R2.88 O=C(CC1=NC=CC=C1)C2=NC=CC=C2 MCULE-4934954504 [1,0,1,0,0,0|0,0,1]=3 36 B16R2.88 O=C(NC1=CC=CC=C1)C2=NC=CC=C2 MCULE-9900689716 [1,0,1,0,0,0|2,0,0]=4 37 B16R2.88 O=C(NC1=CC=CC=N1)C2=CC=CC=C2 MCULE-7629220011 [1,0,1,0,0,0|2,0,0]=4 38 B16R2.88 O=C(NC1=NC=CC=C1)C2=CC=CC=C2 MCULE-1337739708 [1,0,1,0,0,0|2,0,0]=4 39 B16R2.88 O=C(NC1=NC=CC=C1)C2=NC=CC=N2 MCULE-2034635505 [1,0,1,0,0,0|2,0,0]=4 40 B16R2.88 O=C(OC1=CC=CC=N1)C2=CC=CC=C2 MCULE-3905238992 [1,0,1,0,0,0|2,0,0]=4 41 B16R2.88 O=C(SC1=CC=CC=N1)C2=CC=CC=C2 MCULE-9718351151 [1,0,1,0,0,0|2,0,0]=4 42 B16R2.88 O=C(SC1=CC=CC=N1)C2=CN=CC=N2 MCULE-8831393527 [1,0,1,0,0,0|2,0,0]=4 43 B16R2.88 S=C(NC1=CC=CC=N1)C2=NC=CC=C2 MCULE-8958000128 [1,0,1,0,0,0|1,1,0]=4 44 B16R3.9 C1=CC2=C(C=C1)C3=C(C=C2)N=CC=C3 MCULE-9264992816 [2,0,0,0,0,0|1,0,0]=3 45 B16R3.9 C1=CC2=C(C=C1)C3=C(C=CC=C3)C=C2 MCULE-8033936622 [2,0,0,0,0,0|2,0,0]=4 46 B16R3.9 C1=CC2=C(N=C1)C3=C(C=C2)N=CC=C3 MCULE-1793054584 [2,0,0,0,0,0|2,0,0]=4 47 B16R3.9 C1=CC2=C3N=CC=NC3=CC=C2N=C1 MCULE-8092818172 [2,0,0,0,0,0|1,0,0]=3 48 B16R3.9 C1=CN=C2C=CC3=C(C2=C1)C=CC=N3 MCULE-2561802098 [2,0,0,0,0,0|0,0,0]=2 49 B18R2.3102 O=CC1=CC=CC=C1C2=CC=CC=C2C(=O)O MCULE-7148452592 [0,1,1,0,0,0|2,0,0]=4 50 B18R2.250 NC1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 MCULE-4811925257 [0,1,1,0,0,0|2,0,0]=4 51 B18R2.250 O=C(C(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2 MCULE-4852155019 [0,1,1,0,0,0|2,0,0]=4 52 B18R2.250 O=C(C(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2 MCULE-6736961604 [0,1,1,0,0,0|2,0,0]=4 53 B18R2.250 O=C(C(=O)C1=CC=C(C=C1)F)C2=CC=CC=C2 MCULE-6016719808 [0,1,1,0,0,0|2,0,0]=4 54 B18R2.250 O=C(C(=O)C1=CC=C(C=C1)I)C2=CC=CC=C2 MCULE-7618026870 [0,1,1,0,0,0|2,0,0]=4 55 B18R2.250 O=C(C(=O)C1=CC=C(C=C1)O)C2=CC=CC=C2 MCULE-7529604980 [0,1,1,0,0,0|2,0,0]=4 56 B18R2.6461 O=C(C(=O)C1=CC=CC(=C1)Br)C2=CC=CC=C2 MCULE-8936671675 [0,1,1,0,0,0|2,0,0]=4 57 B18R2.6461 O=C(C(=O)C1=CC=CC(=C1)Cl)C2=CC=CC=C2 MCULE-2785022180 [0,1,1,0,0,0|2,0,0]=4 58 B18R3.159486 O=CC1=C2C=CC=CC2=C3C=CC=CC3=C1 MCULE-1436039843 [1,1,0,0,0,0|2,0,0]=4 59 B20R3.3296045 O=C1C(=O)C2=C(C=CC=C2)SC3=CC=C(C=C13)Cl MCULE-7492802422 [0,1,0,0,0,1|2,0,0]=4 60 B20R3.4692537 O=C1C(=O)C2=C(C=C(C=C2)Br)C3=CC(=CC=C13)Br MCULE-3587067407 [0,2,0,0,0,0|2,0,0]=4 61 B20R3.3289008 NC1=CC=C2C(=C1)C(=O)C(=O)C3=C2C=CC(=C3)N MCULE-2735530112 [0,2,0,0,0,0|2,0,0]=4 62 B20R3.3289008 O=C1C(=O)C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br MCULE-4422205175 [0,2,0,0,0,0|2,0,0]=4 63 B20R3.3289008 O=C1C(=O)C2=C(C=CC(=C2)I)C3=C1C=C(C=C3)I MCULE-1392286084 [0,2,0,0,0,0|2,0,0]=4 64 B18R3.2518315 O=C1C(=O)C2=CC=CC3=CC=CC(=C23)C1=O MCULE-8570354881 [0,0,1,1,0,0|2,0,0]=4 65 B16R2.6780 O=C(C(=O)C1=CC=CS1)C2=CC=CC=C2 MCULE-4756360616 [0,0,1,0,1,0|2,0,0]=4 66 B16R2.6780 O=C(C(=O)C1=CSC=C1)C2=CC=CC=C2 MCULE-5950158669 [0,0,1,0,1,0|2,0,0]=4 67 B16R3.20606 O=C1C2=CC=CC=C2C3=CC=CC=C13 MCULE-3341096841 [1,0,0,0,1,0|2,0,0]=4 68 B16R3.20606 O=C1C2=NC=CC=C2C3=C1C=CC=C3 MCULE-8882407779 [1,0,0,0,1,0|1,0,0]=3 69 B16R3.20606 O=C1C2=NC=CC=C2C3=C1N=CC=C3 MCULE-1004703228 [1,0,0,0,1,0|0,0,0]=2 70 B16R3.15877 O=C1C(=O)C2=C(C=CS2)C3=C1SC=C3 MCULE-7669363801 [0,0,0,0,2,0|2,0,0]=4 71 B16R3.15877 O=C1C(=O)C2=C(SC=C2)C3=C1C=CS3 MCULE-4132742440 [0,0,0,0,2,0|2,0,0]=4 72 B18R2.1025 O=CC1=CC=CC=C1OC2=C(C=CC=C2)C=O MCULE-3303921006 [0,0,1,0,0,1|2,0,0]=4 73 B18R2.3634 O=C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-6320643310 [0,0,1,0,0,1|2,0,0]=4 74 B18R2.3634 O=C(CC(=O)C1=NC=CC=C1)C2=CC=CC=C2 MCULE-9613723857 [0,0,1,0,0,1|1,0,0]=3 75 B18R2.3634 O=C(CC(=O)C1=NC=CC=C1)C2=NC=CC=C2 MCULE-2289821400 [0,0,1,0,0,1|0,0,0]=2 76 B18R2.3634 O=C(NC(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1457558516 [0,0,1,0,0,1|2,0,0]=4 77 B18R2.3634 O=C(OC(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4819931381 [0,0,1,0,0,1|2,0,0]=4 78 B18R2.3634 O=C(SC(=O)C1=CC=CC=C1)C2=CC=CC=C2 MCULE-9034678965 [0,0,1,0,0,1|2,0,0]=4 79 B18R3.176 O=C1CC2=CC=CC=C2C3=CC=CN=C3N1 MCULE-5344402041 [1,0,0,0,0,1|1,0,1]=4 80 B18R3.950025 O=C1OC(=O)C2=C(C=CC=C2)N3C1=CC=C3 MCULE-8815469079 [0,0,0,0,1,1|2,0,0]=4