0 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-7320698397 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CS3)C(=O)[O-] MCULE-9166019653 [0,0,0,0,0,0|0,0,1]=1 2 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-8531048101 [0,0,0,0,0,0|0,0,0]=0 3 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@@H]([C@@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)[O-] MCULE-9572431033 [0,0,0,0,0,0|0,0,1]=1 4 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@H](C2SC1)NC(=O)CC3=CC=CS3)C(=O)[O-] MCULE-4266320372 [0,0,0,0,0,0|0,0,1]=1 5 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@H](C2SC1)NC(=O)CC3=CC=CS3)C(=O)[O-] MCULE-6865689269 [0,0,0,0,0,0|0,0,1]=1 6 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-2780065478 [0,0,0,0,0,0|0,0,0]=0 7 B28R3.2036936604 CC(=O)OCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC3=CC=CS3)C(=O)O MCULE-4381582862 [0,0,0,0,0,0|0,0,0]=0 8 B28R3.2036936604 [C@H]1(C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])COC(=O)C)NC(=O)CC3=CC=CS3 MCULE-2927862684 [0,0,0,0,0,0|0,0,1]=1 9 B28R3.2036936604 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CC3=CC=CS3)C(=O)[O-])COC(=O)C MCULE-3723300026 [0,0,0,0,0,0|0,0,1]=1 10 B29R3.8106937634 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CN3C=CC(=N3)C)C(=O)O MCULE-2930151675 [0,1,0,0,0,0|2,0,0]=3 11 B29R3.3543773000 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=O)O MCULE-8905474422 [0,0,0,0,0,1|1,0,0]=2 12 B29R3.3543773000 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CC3=CC=CC=C3)C(=O)[O-] MCULE-3992537581 [0,0,0,0,0,1|1,0,1]=3 13 B28R3.3416825821 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)C3=NN(C=C3)C)C(=O)O MCULE-3497709175 [0,1,0,0,1,0|2,0,0]=4 14 B28R3.3502607313 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)C3=CC=NN3C)C(=O)O MCULE-2156651874 [0,1,0,0,1,0|2,0,0]=4 15 B30R3.4169527803 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)C(N)C3=CC=CC=C3)C(=O)O MCULE-9460310010 [0,1,0,0,0,1|1,0,0]=3 16 B30R3.14009622038 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)C(C)N3C=C(C=N3)Br)C(=O)O MCULE-2575802600 [0,2,0,0,0,0|2,0,0]=4 17 B30R3.9059946344 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CN3C=C(C(=N3)C)Br)C(=O)O MCULE-8303586851 [0,2,0,0,0,0|2,0,0]=4 18 B30R3.9059946344 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CN3C=C(C(=N3)C)Cl)C(=O)O MCULE-4896957795 [0,2,0,0,0,0|2,0,0]=4 19 B30R3.9094886732 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CN3N=C(C=C3C)C)C(=O)O MCULE-4454064377 [0,2,0,0,0,0|2,0,0]=4 20 B30R3.14009249125 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CN3N=CC(=C3C)Cl)C(=O)O MCULE-6467301097 [0,2,0,0,0,0|2,0,0]=4 21 B30R3.7432758667 C12SCC(=C(N1C(=O)C2(NC(=O)CC3=CC=CS3)OC)C(=O)O)COC(=O)N MCULE-4190705134 [0,2,0,0,0,0|1,0,0]=3 22 B30R3.7432758667 COC1(C(=O)N2C1SCC(=C2C(=O)[O-])COC(=O)N)NC(=O)CC3=CC=CS3 MCULE-3530033283 [0,2,0,0,0,0|1,0,1]=4 23 B30R3.7432758667 CO[C@]1(C(=O)N2C1SCC(=C2C(=O)O)COC(=O)N)NC(=O)CC3=CC=CS3 MCULE-6847324869 [0,2,0,0,0,0|1,0,0]=3 24 B30R3.7432758667 [C@@H]12SCC(=C(N1C(=O)[C@@]2(NC(=O)CC3=CC=CS3)OC)C(=O)O)COC(=O)N MCULE-8054173396 [0,2,0,0,0,0|1,0,0]=3 25 B30R3.7432758667 [C@@H]12SCC(=C(N1C(=O)[C@@]2(NC(=O)CC3=CC=CS3)OC)C(=O)[O-])COC(=O)N MCULE-1943821037 [0,2,0,0,0,0|1,0,1]=4 26 B30R3.7432758667 [C@H]12SCC(=C(N1C(=O)[C@@]2(NC(=O)CC3=CC=CS3)OC)C(=O)O)COC(=O)N MCULE-5482148287 [0,2,0,0,0,0|1,0,0]=3 27 B30R3.7432758667 [C@H]12SCC(=C(N1C(=O)[C@]2(NC(=O)CC3=CC=CS3)OC)C(=O)O)COC(=O)N MCULE-1320441738 [0,2,0,0,0,0|1,0,0]=3 28 B30R3.7432758667 [C@H]12SCC(=C(N1C(=O)[C@]2(NC(=O)CC3=CC=CS3)OC)C(=O)O)COC(=O)N MCULE-2099588942 [0,2,0,0,0,0|1,0,0]=3 29 B30R3.7432758667 [C@H]12SCC(=C(N1C(=O)[C@]2(NC(=O)CC3=CC=CS3)OC)C(=O)[O-])COC(=O)N MCULE-1762146198 [0,2,0,0,0,0|1,0,1]=4 30 B30R3.7432758667 [C@H]12SCC(=C(N1C(=O)[C@]2(NC(=O)CC3=CC=CS3)OC)C(=O)[O-])COC(=O)N MCULE-5244863750 [0,2,0,0,0,0|1,0,1]=4 31 B30R3.4169527811 C12SCC(=C(N1C(=O)C2NC(=O)CSC3=CC=NC=C3)C(=O)O)COC(=O)C MCULE-7891781878 [0,0,0,0,0,2|1,0,0]=3 32 B30R3.4169527811 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)COC3=CC=CC=C3)C(=O)O MCULE-4665402546 [0,0,0,0,0,2|1,0,0]=3 33 B30R3.4169527811 CC(=O)OCC1=C(N2C(=O)C(C2SC1)NC(=O)CSC3=CC=NC=C3)C(=O)[O-] MCULE-2879694567 [0,0,0,0,0,2|1,0,1]=4 34 B30R3.4169527811 CC(=O)OCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CSC3=CC=NC=C3)C(=O)O MCULE-3415805048 [0,0,0,0,0,2|1,0,0]=3 35 B30R3.4169527811 CC(=O)OCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CSC3=CC=NC=C3)C(=O)[O-] MCULE-3724473994 [0,0,0,0,0,2|1,0,1]=4 36 B30R3.4169527811 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CSC3=CC=NC=C3)C(=O)O)COC(=O)C MCULE-3595573880 [0,0,0,0,0,2|1,0,0]=3 37 B30R3.4169527811 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)CSC3=CC=NC=C3)C(=O)[O-])COC(=O)C MCULE-8503869253 [0,0,0,0,0,2|1,0,1]=4