0 B34R3.7858807691 CCC(C)C(NC(=O)CNC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-1763058487 [0,0,0,0,0,0|0,0,0]=0 1 B34R3.7858807691 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-6810302770 [0,0,0,0,0,0|0,0,0]=0 2 B34R3.7858807691 CC[C@H](C)[C@@H](NC(=O)CNC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-8918391852 [0,0,0,0,0,0|0,0,0]=0 3 B33R3.4099263492 CC1=COC2=C1C=C3C(=C2)OC(=O)C(=C3C)CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C MCULE-1556503842 [1,0,0,0,0,0|0,0,0]=1 4 B35R3.2350019408 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC3=C(OC=C3C)C(=C2OC1=O)C)C)C(=O)O MCULE-3467605987 [0,1,0,0,0,0|0,0,0]=1 5 B35R3.5497271715 CCC(C)C(NC(=O)CNC(=O)CC1=C(C2=C(C=C3OC(=C(C3=C2)C)C)OC1=O)C)C(=O)O MCULE-5546105535 [0,1,0,0,0,0|0,0,0]=1 6 B35R3.5497271715 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC(=C3C)C)C)C(=O)O MCULE-2226992223 [0,1,0,0,0,0|0,0,0]=1 7 B35R3.5497271715 CC[C@H](C)[C@@H](NC(=O)CNC(=O)CC1=C(C2=C(C=C3OC(=C(C3=C2)C)C)OC1=O)C)C(=O)O MCULE-3222045877 [0,1,0,0,0,0|0,0,0]=1 8 B33R2.2663650133 CCC(C)C(NC(=O)CNC(=O)CC1=C(C2=C(C=C(C(=C2)OC)OC)OC1=O)C)C(=O)O MCULE-2988365453 [0,0,1,0,0,0|1,0,1]=3 9 B33R2.2663650133 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)OC)C)C(=O)O MCULE-4756134181 [0,0,1,0,0,0|1,0,1]=3 10 B33R2.2663650133 CC[C@H](C)[C@@H](NC(=O)CNC(=O)CC1=C(C2=C(C=C(C(=C2)OC)OC)OC1=O)C)C(=O)O MCULE-7054509231 [0,0,1,0,0,0|1,0,1]=3 11 B35R3.4309612463 CCC(C)C(NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-7848598318 [0,0,0,0,0,1|0,0,0]=1 12 B35R3.4309612463 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-1950596674 [0,0,0,0,0,1|0,0,0]=1 13 B35R3.4309612463 CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-9214175008 [0,0,0,0,0,1|0,0,0]=1 14 B32R2.5730275639 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)OC)Cl)C)C(=O)O MCULE-4080320362 [1,0,1,0,0,0|1,0,1]=4 15 B32R2.8107401173 COC1=C(C=C2C(=C1)OC(=O)C(=C2C)CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)OC MCULE-1340216950 [1,0,1,0,0,0|1,0,1]=4 16 B32R2.8107401173 COC1=CC2=C(C=C1OC)C(=C(C(=O)O2)CC(=O)NCC(=O)NC(C(=O)O)C(C)C)C MCULE-7827748130 [1,0,1,0,0,0|1,0,1]=4 17 B32R2.8107401173 COC1=CC2=C(C=C1OC)C(=C(C(=O)O2)CC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)C MCULE-1607324521 [1,0,1,0,0,0|1,0,1]=4 18 B34R3.8826182935 [C@@H](CC(C)C)(NC(=O)CNC(=O)CC1=C(C2=CC3=C(C=C2OC1=O)OC=C3C)C)C(=O)O MCULE-2551741552 [1,1,0,0,0,0|0,0,0]=2 19 B34R3.5995536200 CC1=C(C2=C(O1)C=C3OC(=O)C(=C(C3=C2)C)CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)C MCULE-7190244344 [1,1,0,0,0,0|0,0,0]=2 20 B34R3.8828100110 CC1=COC2=C1C=C3C(=C(C(=O)OC3=C2C)CC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C)C MCULE-3894131265 [1,1,0,0,0,0|0,0,0]=2 21 B36R3.21904377300 CCC(C)C(NC(=O)CNC(=O)CCC1=C(C2=CC3=C(OC=C3C)C(=C2OC1=O)C)C)C(=O)O MCULE-5245218183 [0,1,0,0,0,1|0,0,0]=2 22 B36R3.21904377300 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(OC=C3C)C(=C2OC1=O)C)C)C(=O)O MCULE-3878823215 [0,1,0,0,0,1|0,0,0]=2 23 B36R3.21904377300 CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(OC=C3C)C(=C2OC1=O)C)C)C(=O)O MCULE-4711714418 [0,1,0,0,0,1|0,0,0]=2 24 B36R3.23677072770 CCC(C)C(NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC(=C3C)C)C)C(=O)O MCULE-5863142167 [0,1,0,0,0,1|0,0,0]=2 25 B36R3.23677072770 CC[C@@H](C)[C@@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC(=C3C)C)C)C(=O)O MCULE-8497317922 [0,1,0,0,0,1|0,0,0]=2 26 B36R3.23677072770 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC(=C3C)C)C)C(=O)O MCULE-6742526008 [0,1,0,0,0,1|0,0,0]=2 27 B36R3.23677072770 CC[C@H](C)[C@H](NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC(=C3C)C)C)C(=O)O MCULE-6788415546 [0,1,0,0,0,1|0,0,0]=2 28 B36R3.21915485386 CC[C@@H](C)[C@H](NC(=O)CNC(=O)CC1=C(C2=CC3=C(OC(=C3C)C)C(=C2OC1=O)C)C)C(=O)O MCULE-6586486851 [0,2,0,0,0,0|0,0,0]=2 29 B34R3.8828099858 CC1=COC2=C1C=C3C(=C2)OC(=O)C(=C3C)CCC(=O)NCC(=O)NC(C(=O)O)C(C)C MCULE-4747315418 [1,0,0,0,0,1|0,0,0]=2 30 B34R3.8828099858 CC1=COC2=C1C=C3C(=C2)OC(=O)C(=C3C)CCC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C MCULE-3463757711 [1,0,0,0,0,1|0,0,0]=2 31 B34R3.8828099858 CC1=COC2=C1C=C3C(=C2)OC(=O)C(=C3C)CCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C MCULE-7458697980 [1,0,0,0,0,1|0,0,0]=2