0 B15R2.17700 C=CCNC1CCC2=C(C1)SC(=N2)N MCULE-9417767700 [0,0,0,0,0,0|0,0,2]=2 1 B15R2.17700 CCCNC1CCC2=C(C1)SC(=N2)C MCULE-1754992807 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.17700 CCCNC1CCC2=C(C1)SC(=N2)N MCULE-4233228077 [0,0,0,0,0,0|0,0,0]=0 3 B15R2.17700 CCCNC1CCC2=C(C1)SC(=N2)N MCULE-6778479529 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.17700 CCCN[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-2010145250 [0,0,0,0,0,0|0,0,0]=0 5 B15R2.17700 CCCN[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-3192400750 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.17700 CCCN[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-6567410689 [0,0,0,0,0,0|0,0,0]=0 7 B15R2.17700 CCCN[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-9439489595 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.17700 CCCN[C@H]1CCC2=C(C1)SC(=N2)N MCULE-1323845397 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.17700 CCCN[C@H]1CCC2=C(C1)SC(=N2)N MCULE-3055959120 [0,0,0,0,0,0|0,0,0]=0 10 B15R2.17700 CCCN[C@H]1CCC2=C(C1)SC(=N2)N MCULE-3917065005 [0,0,0,0,0,0|0,0,0]=0 11 B15R2.17700 CCCN[C@H]1CCC2=C(C1)SC(=N2)N MCULE-6080707498 [0,0,0,0,0,0|0,0,0]=0 12 B15R2.17700 CCCN[C@H]1CCC2=C(C1)SC(=N2)N MCULE-9904677969 [0,0,0,0,0,0|0,0,0]=0 13 B14R2.991 CCCNC1CCC2=C(C1)SC=N2 MCULE-1875342287 [1,0,0,0,0,0|0,0,0]=1 14 B14R2.991 CCCNC1CCC2=C(C1)SC=N2 MCULE-3683102969 [1,0,0,0,0,0|0,0,0]=1 15 B14R2.6400 CCCC1CCC2=C(C1)SC(=N2)N MCULE-3217163843 [1,0,0,0,0,0|0,0,0]=1 16 B14R2.6400 CCCC1CCC2=C(C1)SC(=O)N2 MCULE-6381128741 [1,0,0,0,0,0|1,0,1]=3 17 B16R2.29707 CCOC(=O)C1CCC2=C(C1)SC(=N2)Br MCULE-1558990132 [0,1,0,0,0,0|3,0,0]=4 18 B16R2.29707 CCOC(=O)C1CCC2=C(C1)SC(=N2)Cl MCULE-6641801479 [0,1,0,0,0,0|3,0,0]=4 19 B16R2.29707 CCOC(=O)C1CCC2=C(C1)SC(=N2)N MCULE-3599836311 [0,1,0,0,0,0|2,0,0]=3 20 B16R2.29707 CCOC(=O)C1CCC2=C(C1)SC(=N2)N MCULE-6974060435 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.29707 CCOC(=O)N1CCC2=C(C1)SC(=N2)N MCULE-7658697569 [0,1,0,0,0,0|3,0,0]=4 22 B16R2.34584 CCCNC1CCC2=C(C1=O)SC(=N2)N MCULE-8396603503 [0,1,0,0,0,0|0,0,1]=2 23 B16R2.34584 CCCNC1CCC2=C(C1=O)SC(=N2)N MCULE-9076903762 [0,1,0,0,0,0|0,0,1]=2 24 B16R2.34584 CCCNC1CCC2=C(C1=O)SC(=N2)N MCULE-9440567546 [0,1,0,0,0,0|0,0,1]=2 25 B16R2.34584 CCCNC1CCC2=C(C1O)SC(=N2)N MCULE-6981651169 [0,1,0,0,0,0|0,0,0]=1 26 B16R2.176344 C=CC(=O)N[C@H]1CCC2=C(C1)SC(=N2)N MCULE-6868808560 [0,1,0,0,0,0|0,0,3]=4 27 B16R2.176344 CCC(=O)NC1CCC2=C(C1)SC(=N2)N MCULE-8813977285 [0,1,0,0,0,0|0,0,1]=2 28 B16R2.176344 CCC(=O)N[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-4032165091 [0,1,0,0,0,0|0,0,1]=2 29 B16R2.176344 CCC(=O)N[C@@H]1CCC2=C(C1)SC(=N2)N MCULE-9005973971 [0,1,0,0,0,0|0,0,1]=2 30 B16R2.176344 CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)N MCULE-4785479412 [0,1,0,0,0,0|0,0,1]=2 31 B16R2.176344 CCC(=O)N[C@H]1CCC2=C(C1)SC(=N2)N MCULE-5899733247 [0,1,0,0,0,0|0,0,1]=2 32 B14R1.466 CCCCC(CC)CC1=CC=C(S1)Br MCULE-3708819025 [0,0,1,0,0,0|3,0,0]=4 33 B16R3.206774 NC1=NC2=C(S1)CC3(CC2)OCCO3 MCULE-7410770884 [0,0,0,1,0,0|2,0,0]=3 34 B13R1.190 CCCCCCC1=C(SC(=C1)C)C MCULE-1913984478 [1,0,1,0,0,0|2,0,0]=4 35 B13R1.372 CCCCC(CC)CC1=CC=CS1 MCULE-9457559118 [1,0,1,0,0,0|2,0,0]=4 36 B13R2.2121 CCC1CCC2=C(C1)SC(=N2)N MCULE-4236545221 [2,0,0,0,0,0|0,0,0]=2 37 B13R2.2121 CCC1CCC2=C(C1)SC(=N2)N MCULE-9184084879 [2,0,0,0,0,0|0,0,0]=2 38 B13R2.2121 CCC1CCC2=C(C1)SC(=O)N2 MCULE-6850352189 [2,0,0,0,0,0|1,0,1]=4 39 B13R2.2121 CCN1CCC2=C(C1)SC(=N2)N MCULE-9680850613 [2,0,0,0,0,0|1,0,0]=3 40 B15R2.2123 CCCCNC1CCC2=C(C1)SC=N2 MCULE-2353483441 [1,1,0,0,0,0|0,0,0]=2 41 B15R2.926 CC(=O)NC1CCC2=C(C1)SC(=N2)N MCULE-4507741978 [1,1,0,0,0,0|0,0,1]=3 42 B15R2.926 CC(=O)NC1CCC2=C(C1)SC(=N2)N MCULE-9936353284 [1,1,0,0,0,0|0,0,1]=3 43 B17R2.4857 CC(C)CC(=O)N1CCC2=C(C1)SC(=N2)N MCULE-5091115277 [0,2,0,0,0,0|2,0,0]=4 44 B15R2.1289 C=CCN1CCC2=C(CC1)SC(=N2)N MCULE-3784076701 [0,0,1,1,0,0|0,0,2]=4 45 B15R2.1289 C=CCN1CCC2=C(CC1)SC(=N2)N MCULE-4625529239 [0,0,1,1,0,0|0,0,2]=4 46 B15R3.1739 C1=NC2=C(N1)CCC3C2CCCN3 MCULE-2762095781 [1,0,0,1,0,0|1,0,1]=4 47 B15R3.1739 C1=NC2=C(N1)CCC3C2CCCN3 MCULE-8911231017 [1,0,0,1,0,0|1,0,1]=4 48 B17R3.458965 NC1=NC2=C(S1)CC3(CCCCC3)CC2 MCULE-6204122135 [0,1,0,1,0,0|1,0,0]=3 49 B17R3.458965 NC1=NC2=C(S1)CC3(CCOCC3)CC2 MCULE-8769841089 [0,1,0,1,0,0|1,0,0]=3 50 B13R1.25 CCCCC(CC)C1=NN=C(S1)N MCULE-9770749998 [0,0,1,0,1,0|2,0,0]=4 51 B15R2.10252 CCCC1CCC2=NC(=NC=C2C1)N MCULE-9921562282 [1,0,0,0,0,1|1,0,0]=3