0 B29R4.35080558 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-9511531812 [0,0,0,0,0,0|2,0,0]=2 1 B29R4.35080558 CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-4196760457 [0,0,0,0,0,0|3,0,0]=3 2 B29R4.35080558 CN1N=C(C=C1C(=O)NCCC2=CNC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-8101702362 [0,0,0,0,0,0|0,0,0]=0 3 B29R4.35080558 CN1N=C(C=C1C(=O)NCCC2=NN=C3N2C=CC=C3)C4=CC=CC=C4 MCULE-6485315554 [0,0,0,0,0,0|2,0,1]=3 4 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CN=CC=C4 MCULE-1811213512 [1,0,0,0,0,0|1,0,0]=2 5 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=CC=C(S3)C4=CC=CC=C4 MCULE-6304249439 [1,0,0,0,0,0|3,0,0]=4 6 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NC(=NO3)C4=CC=CC=N4 MCULE-1417157799 [1,0,0,0,0,0|3,0,0]=4 7 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NC(=NO3)C4=CC=CN=C4 MCULE-7211819327 [1,0,0,0,0,0|3,0,0]=4 8 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NC(=NO3)C4=CC=NC=C4 MCULE-9484928048 [1,0,0,0,0,0|3,0,0]=4 9 B28R4.1739052 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NOC(=C3)C4=CC=CC=C4 MCULE-9272447168 [1,0,0,0,0,0|1,0,1]=3 10 B28R4.1739052 O=C(NCCC1=CNC2=CC=CC=C12)C3=NNC(=C3)C4=CC=CC=C4 MCULE-9542753536 [1,0,0,0,0,0|0,0,2]=3 11 B28R4.1739052 O=C(NN=CC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CC=CC=C4 MCULE-7095115517 [1,0,0,0,0,0|1,0,1]=3 12 B30R4.21260467 CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCCC3=CNC4=C3C=CC=C4)C MCULE-3963747493 [0,1,0,0,0,0|2,0,0]=3 13 B30R4.21782113 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC(C)CC3=CNC4=C3C=CC=C4 MCULE-9836068108 [0,1,0,0,0,0|2,0,0]=3 14 B30R4.22488709 CN1N=C(C=C1C(=O)NCCC2=NN=C3N2C=CC=C3)C4=CC=CC(=C4)Cl MCULE-6244214211 [0,1,0,0,0,0|2,0,1]=4 15 B30R4.29258377 CC1=NN(C(=O)C1=C(C)NCCC2=CNC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-2576578636 [0,1,0,0,0,0|3,0,0]=4 16 B30R4.30207614 CC1=C(N=C(S1)C2=CC=CC=C2Cl)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-2739262980 [0,1,0,0,0,0|3,0,0]=4 17 B30R4.30207614 CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-5330091257 [0,1,0,0,0,0|2,0,0]=3 18 B30R4.30207614 CN1N=C(C=C1C(=O)NCCC2=CNC3=C2C=CC=C3)C4=CC=CC=C4Cl MCULE-6254334923 [0,1,0,0,0,0|0,0,0]=1 19 B30R4.30207614 CN1N=C(C=C1C(=O)NCCC2=NN=C3N2C=CC=C3)C4=CC=CC=C4Cl MCULE-7010406567 [0,1,0,0,0,0|2,0,1]=4 20 B30R4.179414792 CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F MCULE-3057181389 [0,1,0,0,0,0|2,0,0]=3 21 B28R4.2715767 CN1N=C(C=C1C(=O)NCC2=NN=C3N2C=CC=C3)C4=CC=CC=C4 MCULE-5194678221 [0,0,0,0,1,0|2,0,1]=4 22 B28R4.2715767 CN1N=C(C=C1C(=O)NCC2=NNC3=NC=CC=C23)C4=CC=CC=C4 MCULE-5667328342 [0,0,0,0,1,0|2,0,0]=3 23 B28R4.24836545 CC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-4666949814 [0,0,0,0,1,0|3,0,0]=4 24 B28R4.24836545 CN1N=C(C=C1C(=O)NCCC2=CNC3=C2C=CC=C3)C4=CC=CS4 MCULE-7793045614 [0,0,0,0,1,0|1,0,0]=2 25 B30R4.21778552 CN1N=C(C=C1C(=O)NCCCC2=NN=C3N2C=CC=C3)C4=CC=CC=C4 MCULE-4395541681 [0,0,0,0,0,1|2,0,1]=4 26 B29R4.2003566 CC(CC1=CNC2=C1C=CC=C2)NC(=O)C3=NC(=NO3)C4=CC=CC=C4 MCULE-6960191730 [1,1,0,0,0,0|2,0,0]=4 27 B29R4.3016523 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-2975767794 [1,1,0,0,0,0|0,0,0]=2 28 B29R4.3016523 CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CNC4=C3C=CC=C4 MCULE-4540403417 [1,1,0,0,0,0|1,0,1]=4 29 B29R4.3016523 O=C(NCCC1=CNC2=C1C=CC=C2)C3=CC(=CN3)C4=CC=C(C=C4)F MCULE-4067945083 [1,1,0,0,0,0|1,0,0]=3 30 B29R4.3016523 O=C(NCCC1=CNC2=C1C=CC=C2)C3=CN(N=N3)C4=CC=C(C=C4)F MCULE-4212360882 [1,1,0,0,0,0|1,0,1]=4 31 B29R4.3016523 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NC(=NO3)C4=CC=C(C=C4)F MCULE-5222217153 [1,1,0,0,0,0|2,0,0]=4 32 B29R4.3016523 O=C(NCCC1=CNC2=CC=CC=C12)C3=NNC(=C3)C4=CC=C(C=C4)Br MCULE-5549971731 [1,1,0,0,0,0|0,0,2]=4 33 B29R4.3016523 O=C(NCCC1=CNC2=CC=CC=C12)C3=NNC(=C3)C4=CC=C(C=C4)Cl MCULE-3006733450 [1,1,0,0,0,0|0,0,2]=4 34 B29R4.3016523 O=C(NN=CC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CC=C(C=C4)Br MCULE-2047562897 [1,1,0,0,0,0|1,0,1]=4 35 B29R4.3016523 O=C(NN=CC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CC=C(C=C4)Cl MCULE-4357521990 [1,1,0,0,0,0|1,0,1]=4 36 B29R4.3016523 O=C(NN=CC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CC=C(C=C4)F MCULE-1158090632 [1,1,0,0,0,0|1,0,1]=4 37 B29R4.3125283 O=C(NCCC1=CNC2=C1C=CC=C2)C3=NN=C(O3)C4=CC(=CC=C4)Br MCULE-2912517342 [1,1,0,0,0,0|1,0,1]=4 38 B29R4.4176516 O=C(NCCC1=CNC2=CC=CC=C12)C3=NNC(=C3)C4=C(C=CC=C4)Cl MCULE-3308290103 [1,1,0,0,0,0|0,0,2]=4 39 B29R4.4176516 O=C(NN=CC1=CNC2=C1C=CC=C2)C3=CC(=NN3)C4=CC=CC=C4Cl MCULE-6673779053 [1,1,0,0,0,0|1,0,1]=4 40 B29R4.5609574 CC1=C(C2=C(N1)C=CC=C2)C=NNC(=O)C3=CC(=NN3)C4=CC=CC=C4 MCULE-3898699763 [1,1,0,0,0,0|1,0,1]=4 41 B29R4.33513919 CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-4949891743 [1,1,0,0,0,0|2,0,0]=4 42 B29R4.33513919 CC1=C(NN=C1C2=CC=CC=C2)C(=O)NN=CC3=CNC4=C3C=CC=C4 MCULE-8951452906 [1,1,0,0,0,0|1,0,1]=4 43 B29R4.37332942 O=C(NCCC1=CNC2=C1C=C(C=C2)Cl)C3=NC(=NO3)C4=CC=CC=C4 MCULE-8945889903 [1,1,0,0,0,0|2,0,0]=4 44 B29R4.37332942 O=C(NCCC1=CNC2=CC=C(C=C12)Cl)C3=CC(=NN3)C4=CN=CC=C4 MCULE-9021426176 [1,1,0,0,0,0|1,0,0]=3 45 B29R4.112724122 CN1C=C(C2=C1C=CC=C2)C=NNC(=O)C3=CC(=NN3)C4=CC=CC=C4 MCULE-1316705628 [1,1,0,0,0,0|1,0,1]=4 46 B29R4.112724122 CN1C=C(C2=CC=CC=C12)CCNC(=O)C3=CC(=NN3)C4=CC=NC=C4 MCULE-9076265134 [1,1,0,0,0,0|1,0,0]=3 47 B29R4.79928756 CN1N=C(C=C1C(=O)NCC2=C3C=CC=CN3N=C2)C4=CC=C(C=C4)F MCULE-3113116719 [0,1,0,0,1,0|1,0,1]=4 48 B31R4.35430821 CC1=NN(C(=C1CC(=O)NCCC2=CNC3=C2C=CC=C3)C)C4=CC=CC=C4 MCULE-1437592097 [0,1,0,0,0,1|2,0,0]=4 49 B31R4.4853788 COC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCCC3=CNC4=C3C=CC=C4)C MCULE-1019750312 [0,2,0,0,0,0|2,0,0]=4 50 B31R4.4853788 COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCCC3=CNC4=C3C=CC=C4)C MCULE-9084923426 [0,2,0,0,0,0|0,0,0]=2 51 B31R4.880446189 CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCCC3=CNC4=C3C=C(C=C4)F)C MCULE-2669829204 [0,2,0,0,0,0|2,0,0]=4 52 B31R4.22392152 COC1=CC(=CC=C1)C2=NC(=C(S2)C(=O)NCCC3=CNC4=C3C=CC=C4)C MCULE-7974064152 [0,2,0,0,0,0|2,0,0]=4 53 B31R4.542441764 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=C(N=C(S3)C4=CC=CC=C4)C MCULE-7096289507 [0,2,0,0,0,0|2,0,0]=4 54 B27R4.153520 O=C(NCC1=C2C=CC=CN2N=C1)C3=CC(=NN3)C4=CC=CC=C4 MCULE-2476641134 [1,0,0,0,1,0|1,0,1]=4 55 B29R4.11204 O=C(NCCC1=CNC2=C1C=CC=C2)C3=CC=C(C=C3)C4=CC=CC=C4 MCULE-1062167425 [1,0,0,0,0,1|2,0,0]=4 56 B29R4.26328983 CC1=NC(=C(S1)C(=O)NCCC2=CNC3=C2C=CC=C3)C4=CC=CC=C4 MCULE-9311071113 [0,0,0,0,1,1|1,0,0]=3 57 B29R4.27791751 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-6564570009 [0,0,0,0,1,1|1,0,0]=3 58 B29R4.27791751 CC1=C(C(=NO1)C2=CC=CC=N2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-1345208731 [0,0,0,0,1,1|2,0,0]=4 59 B29R4.27791751 CC1=C(N(N=C1)C2=CC=CC=C2)C(=O)NCCC3=CNC4=C3C=CC=C4 MCULE-7413278511 [0,0,0,0,1,1|2,0,0]=4