0 B26R3.23654886 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)C MCULE-1853559171 [0,0,0,0,0,0|0,0,0]=0 1 B26R3.23654886 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)Cl MCULE-5781274078 [0,0,0,0,0,0|1,0,0]=1 2 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=CC=C3)C(=O)O MCULE-3991042009 [0,0,0,0,0,0|0,0,0]=0 3 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CCC=CC3)C(=O)O MCULE-1711430402 [0,0,0,0,0,0|0,0,2]=2 4 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(O)C3=CC=CC=C3)C(=O)[O-] MCULE-3017588868 [0,0,0,0,0,0|1,0,1]=2 5 B26R3.23654886 CC1=C(N2C(=O)C(C2SC1)NC(=O)C(O)C3=CC=CC=C3)C(=O)[O-] MCULE-9701469937 [0,0,0,0,0,0|1,0,1]=2 6 B26R3.23654886 CC1=C(N2C(=O)[C@@H](C2SC1)NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-1996116502 [0,0,0,0,0,0|0,0,1]=1 7 B26R3.23654886 CC1=C(N2C(=O)[C@@H](C2SC1)NC(=O)[C@@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-3168963389 [0,0,0,0,0,0|0,0,1]=1 8 B26R3.23654886 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-2615137745 [0,0,0,0,0,0|0,0,1]=1 9 B26R3.23654886 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)[O-] MCULE-4380957710 [0,0,0,0,0,0|0,0,1]=1 10 B26R3.23654886 NC(C(=O)NC1C(=O)N2C1CCC(=C2C(=O)O)Cl)C3=CC=CC=C3 MCULE-4137409818 [0,0,0,0,0,0|2,0,0]=2 11 B26R3.23654886 N[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)Cl)C3=CC=CC=C3 MCULE-7554932702 [0,0,0,0,0,0|1,0,0]=1 12 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(O)C3=CC=CC=C3)C(=O)O)C MCULE-7939714969 [0,0,0,0,0,0|1,0,0]=1 13 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-1022568448 [0,0,0,0,0,0|0,0,0]=0 14 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-3162089804 [0,0,0,0,0,0|0,0,0]=0 15 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)C MCULE-4867478881 [0,0,0,0,0,0|0,0,0]=0 16 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)Cl MCULE-4099023270 [0,0,0,0,0,0|1,0,0]=1 17 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)C MCULE-5616371730 [0,0,0,0,0,0|0,0,2]=2 18 B26R3.23654886 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)C MCULE-5742204854 [0,0,0,0,0,0|0,0,2]=2 19 B25R3.18492161 CC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=O)O MCULE-4321166137 [1,0,0,0,0,0|0,0,0]=1 20 B25R3.18492161 [C@H]1(C(=O)N2[C@@H]1SCC(=C2C(=O)O)C)NC(=O)CC3=CC=CC=C3 MCULE-8625661009 [1,0,0,0,0,0|0,0,0]=1 21 B27R3.75019564 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)CO MCULE-4273786575 [0,1,0,0,0,0|0,0,0]=1 22 B27R3.75019564 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CCC=CC3)C(=O)O)OC MCULE-9059174305 [0,1,0,0,0,0|0,0,2]=3 23 B27R3.368466829 C12SCC(=C(N1C(=O)C2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-6662086355 [0,1,0,0,0,0|0,0,0]=1 24 B27R3.368466829 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O MCULE-7729282935 [0,1,0,0,0,0|0,0,0]=1 25 B27R3.368466829 CC1=CS[C@@H]2[C@@H](C(=O)N2C1C(=O)O)NC(=O)[C@H](N)C3=CC=C(C=C3)O MCULE-3318378298 [0,1,0,0,0,0|0,0,2]=3 26 B27R3.368466829 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-5879011146 [0,1,0,0,0,0|0,0,0]=1 27 B27R3.368466829 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=C(C=C3)O)C(=O)O)C MCULE-6475996520 [0,1,0,0,0,0|0,0,0]=1 28 B26R3.33945754 [C@H]1(C(=O)N2[C@@H]1S(=O)CC(=C2C(=O)O)C)NC(=O)CC3=CC=CC=C3 MCULE-3334540221 [1,1,0,0,0,0|0,0,1]=3 29 B26R3.67364232 C=CC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=O)O MCULE-4266594625 [1,1,0,0,0,0|0,0,1]=3 30 B26R3.529849969 C12SC(C(N1C(=O)C2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9842380098 [0,1,0,0,1,0|0,0,2]=4 31 B26R3.529849969 CC1(S[C@@H]2[C@@H](C(=O)N2[C@H]1C(=O)O)NC(=O)C(N)C3=CC=CC=C3)C MCULE-2672389454 [0,1,0,0,1,0|0,0,2]=4 32 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C(N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-9165243575 [0,1,0,0,1,0|0,0,2]=4 33 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-4548739840 [0,1,0,0,1,0|0,0,2]=4 34 B26R3.529849969 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)O)(C)C MCULE-6427082224 [0,1,0,0,1,0|0,0,2]=4 35 B28R3.1031818292 C(N)(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C)C3=CC=C(C(=C3)Cl)O MCULE-1549529043 [0,2,0,0,0,0|0,0,0]=2 36 B24R3.15140521 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-1067390296 [1,0,0,0,1,0|1,0,0]=3 37 B24R3.15140521 CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-6821914488 [1,0,0,0,1,0|1,0,0]=3 38 B26R3.23654896 CC1=CSC2C(C(=O)N2C1C(=O)O)NC(=O)COC3=CC=CC=C3 MCULE-3956155062 [1,0,0,0,0,1|0,0,2]=4 39 B26R3.23654896 O=C(COC1=CC=CC=C1)NC2C(=O)N3C2SCC(=C3C(=O)O)Cl MCULE-2721629438 [1,0,0,0,0,1|1,0,0]=3