0 B18R2.83131 CC1=NN(C(=O)C1CCC#N)C2=CC=CC=C2 MCULE-8724859638 [0,0,0,0,0,0|2,0,2]=4 1 B18R2.83131 CCCCC1C(=O)NN(C1=O)C2=CC=CC=C2 MCULE-9290585539 [0,0,0,0,0,0|0,0,0]=0 2 B18R2.83131 CCCCC1C(=O)[N-]N(C1=O)C2=CC=CC=C2 MCULE-4476833639 [0,0,0,0,0,0|0,0,1]=1 3 B17R2.26504 CC1=C(C(=O)N(N1)C2=CC=CC=C2)CCO MCULE-6798046839 [1,0,0,0,0,0|2,0,1]=4 4 B17R2.26504 CC1=NN(C(=O)C1CCO)C2=CC=CC=C2 MCULE-9770619021 [1,0,0,0,0,0|2,0,1]=4 5 B17R2.26504 O=C1NC(C(=O)N1CCO)C2=CC=CC=C2 MCULE-9524169145 [1,0,0,0,0,0|3,0,0]=4 6 B19R2.139133 CCCCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2 MCULE-7538937328 [0,1,0,0,0,0|2,1,0]=4 7 B17R1.4100 CCCCC(CC)C(=O)NCC1=CC=CC=C1 MCULE-7404608935 [0,0,1,0,0,0|2,0,1]=4 8 B19R2.134219 CCCCN1C(=O)NC(=CC2=CN=CC=C2)C1=O MCULE-2198407380 [0,0,0,0,0,1|3,0,0]=4 9 B19R2.134219 CCCCN1C(=O)NC(=CC2=NC=CC=C2)C1=O MCULE-4057643513 [0,0,0,0,0,1|3,0,0]=4 10 B19R2.134219 CCCCN1C(=O)SC(=CC2=CC=CC=C2)C1=O MCULE-7734875942 [0,0,0,0,0,1|3,0,0]=4 11 B19R2.134219 CCCCN1C(=O)SC(C1=O)NC2=CC=CC=C2 MCULE-9974597218 [0,0,0,0,0,1|3,0,0]=4 12 B19R2.143283 CSCC[C@@H]1NC(=O)[C@@H](NC1=O)C2=CC=CC=C2 MCULE-9530799966 [0,0,0,0,0,1|2,0,0]=3 13 B16R1.4510 CCCCC(CC)C(=O)NC1=CC=CC=C1 MCULE-4367535504 [1,0,1,0,0,0|1,0,1]=4 14 B16R1.35 CCCCCC(=O)CC(=O)C1=CC=CC=C1 MCULE-9399075405 [1,0,1,0,0,0|2,0,0]=4 15 B16R1.35 CCCCCC(=O)NC(C)C1=CC=CC=C1 MCULE-8613087337 [1,0,1,0,0,0|1,0,1]=4 16 B16R1.35 CCCCCC(=O)N[NH+](C)C1=CC=CC=C1 MCULE-4699493494 [1,0,1,0,0,0|0,0,2]=4 17 B16R1.35 CCCCCC(=O)N[NH+](C)C1=CC=CC=C1 MCULE-8159583909 [1,0,1,0,0,0|0,0,2]=4 18 B16R2.10928 CCC1=C(NN(C1=O)C2=CC=CC=C2)C MCULE-8192304571 [2,0,0,0,0,0|1,0,1]=4 19 B16R2.10928 CCN1C(=O)NC(C1=O)C2=CC=CC=C2 MCULE-6544505383 [2,0,0,0,0,0|2,0,0]=4 20 B18R1.36238 CCCCC(C(=O)C)C(=O)NC1=CC=C(C=C1)C MCULE-8097827012 [0,1,1,0,0,0|1,0,0]=3 21 B18R2.9682 CCCCC1NC(=S)N(C1=O)C2=CC=CC=C2 MCULE-8830329717 [1,1,0,0,0,0|2,0,0]=4 22 B18R2.50193 CCCC1=C(NN(C1=O)C2=CC=C(C=C2)Cl)C MCULE-4229698126 [1,1,0,0,0,0|1,0,1]=4 23 B18R2.50193 CCCC1=C(NN(C1=O)C2=CC=C(C=C2)F)C MCULE-6706104853 [1,1,0,0,0,0|1,0,1]=4 24 B20R2.1122480 CCCCC1C(=O)NC(=S)N(C1=O)C2=CC=CC=C2 MCULE-4245221126 [0,1,0,0,0,1|0,0,0]=2 25 B20R2.1122480 CCCCN1C(=O)C=C(N(C1=O)C2=CC=CC=C2)C MCULE-5354954185 [0,1,0,0,0,1|2,0,0]=4 26 B20R2.2247906 COCCCN1C(=O)N[C@H](C1=O)CC2=CC=CC=C2 MCULE-7507314514 [0,1,0,0,0,1|2,0,0]=4 27 B20R2.73901 CCCC[C@@H]1NC(=O)[C@H](NC1=O)C2=CC=C(C=C2)O MCULE-4256251416 [0,1,0,0,0,1|1,0,0]=3 28 B20R2.73901 CSCC[C@@H]1NC(=O)[C@H](NC1=O)C2=CC=C(C=C2)O MCULE-3166471996 [0,1,0,0,0,1|2,0,0]=4 29 B20R2.68045 CC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)CCC(C)C MCULE-2864046753 [0,2,0,0,0,0|1,0,1]=4 30 B20R2.68045 CC1=CC=C(C=C1)N2NC(=C(C2=O)CCC(C)C)C MCULE-1404743764 [0,2,0,0,0,0|1,0,1]=4 31 B20R2.2670127 CCCCCCN1C(=O)NC(C1=O)C2=CC=CC=C2 MCULE-1548431417 [0,2,0,0,0,0|2,0,0]=4 32 B18R2.4001 O=C1CCCCC1C(=O)OCC2=CC=CC=C2 MCULE-2880922601 [0,0,1,1,0,0|2,0,0]=4 33 B18R2.2918 CCC1CC(C(=O)O1)C(=O)NC2=CC=CC=C2 MCULE-1793365116 [0,0,1,1,0,0|1,0,0]=3 34 B18R3.11551 O=C1NN(C2=C1CCCC2)C3=CC=CC=C3 MCULE-8048691649 [1,0,0,1,0,0|0,0,1]=3 35 B18R3.11551 O=C1OC(=C2C1CCCC2)C3=CC=CC=C3 MCULE-8178188070 [1,0,0,1,0,0|2,0,0]=4 36 B18R3.85146 O=C1NC(=NC12CCCC2)C3=CC=CC=C3 MCULE-5523765001 [1,0,0,1,0,0|2,0,0]=4 37 B18R3.111 O=C1C2=C(CCCC2)NN1C3=CC=CC=C3 MCULE-7535858697 [1,0,0,1,0,0|0,0,1]=3 38 B18R3.111 O=C1C2CCCCC2=NN1C3=CC=CC=C3 MCULE-5938807994 [1,0,0,1,0,0|0,0,1]=3 39 B20R3.259727 O=C1N[C@H](C(=O)N2[C@@H]1CCCC2)C3=CC=CC=C3 MCULE-5153965818 [0,0,0,1,0,1|2,0,0]=4 40 B20R3.125180 O=C1NC2(CCCC2)C(=O)N[C@@H]1C3=CC=CC=C3 MCULE-7596357745 [0,0,0,1,0,1|1,0,0]=3 41 B20R3.303193 CC1=NN(C(=O)C1C2CCCC2)C3=CC=CC=C3 MCULE-3574805483 [0,1,0,1,0,0|1,0,1]=4 42 B18R1.11454 CCCNC(CC(=O)NC1=CC=CC=C1)C(=O)O MCULE-2908811626 [0,0,1,0,0,1|2,0,0]=4 43 B18R1.11454 CSCCC(NC(=O)NC1=CC=CC=C1)C(=O)O MCULE-3221233537 [0,0,1,0,0,1|2,0,0]=4 44 B20R2.4346 CSCC[C@@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-3667754334 [0,0,0,0,0,2|2,0,0]=4 45 B20R2.4346 CSCC[C@H]1NC(=O)CN(C1=O)CC2=CC=CC=C2 MCULE-4652864556 [0,0,0,0,0,2|2,0,0]=4 46 B20R2.226338 CSCC[C@@H]1NC(=O)[C@@H](NC1=O)CC2=CC=CC=C2 MCULE-2411768029 [0,0,0,0,0,2|2,0,0]=4 47 B20R2.226338 CSCC[C@H]1NC(=O)[C@@H](NC1=O)CC2=CC=CC=C2 MCULE-8293447118 [0,0,0,0,0,2|2,0,0]=4