0 B31R4.3056604272 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C(=O)N4C3SC(C4C(=O)O)(C)C MCULE-7811795356 [0,0,0,0,0,0|0,0,0]=0 1 B31R4.3056604272 CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C(=O)N4C3SC(C4C(=O)[O-])(C)C MCULE-4344643806 [0,0,0,0,0,0|0,0,1]=1 2 B31R4.3056604272 [C@H]1(N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C(=O)O MCULE-1715460255 [0,0,0,0,0,0|0,0,0]=0 3 B31R4.3056604272 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C(=O)[O-])(C)C MCULE-2549773794 [0,0,0,0,0,0|0,0,1]=1 4 B31R4.3056604272 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C(=O)[O-])(C)C MCULE-6863137426 [0,0,0,0,0,0|0,0,1]=1 5 B31R4.3056604272 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4)C)C(=O)[O-])(C)C MCULE-7471073809 [0,0,0,0,0,0|0,0,1]=1 6 B32R4.2595229535 C12SC(C(N1C(=O)C2NC(=O)C3=C(ON=C3C4=C(C=CC=C4)Cl)C)C(=O)[O-])(C)C MCULE-9045258287 [0,1,0,0,0,0|0,0,1]=2 7 B32R4.2595229535 CC1=C(C(=NO1)C2=C(C=CC=C2)Cl)C(=O)N[C@@H]3C(=O)N4[C@@H]3SC([C@@H]4C(=O)O)(C)C MCULE-1963104233 [0,1,0,0,0,0|0,0,0]=1 8 B32R4.2595229535 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C(=O)N4C3SC(C4C(=O)[O-])(C)C MCULE-4135198332 [0,1,0,0,0,0|0,0,1]=2 9 B32R4.2595229535 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@@H]3C(=O)N4[C@@H]3SC([C@@H]4C(=O)O)(C)C MCULE-3089347064 [0,1,0,0,0,0|0,0,0]=1 10 B32R4.2595229535 CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@@H]3C(=O)N4[C@@H]3SC([C@@H]4C(=O)[O-])(C)C MCULE-7954319414 [0,1,0,0,0,0|0,0,1]=2 11 B32R4.2595229535 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C(=O)[O-])(C)C MCULE-7556215634 [0,1,0,0,0,0|0,0,1]=2 12 B33R4.2689924676 C1(C(=O)N2C1SC(C2C(=O)O)(C)C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C MCULE-1481027074 [0,2,0,0,0,0|0,0,0]=2 13 B33R4.2689924676 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C(=O)N4C3SC(C4C(=O)O)(C)C MCULE-8854732588 [0,2,0,0,0,0|0,0,0]=2 14 B33R4.2689924676 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C(=O)N4C3SC(C4C(=O)[O-])(C)C MCULE-7227941392 [0,2,0,0,0,0|0,0,1]=3 15 B33R4.2689924676 CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)N[C@@H]3C(=O)N4[C@@H]3SC([C@@H]4C(=O)[O-])(C)C MCULE-6660708303 [0,2,0,0,0,0|0,0,1]=3 16 B33R4.2689924676 [C@H]1(C(=O)N2[C@@H]1SC(C2C(=O)[O-])(C)C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C MCULE-2219014670 [0,2,0,0,0,0|0,0,1]=3 17 B33R4.2689924676 [C@H]1(C(=O)N2[C@@H]1SC(C2C(=O)[O-])(C)C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C MCULE-7713174761 [0,2,0,0,0,0|0,0,1]=3 18 B33R4.2689924676 [C@H]1(N2C(=O)[C@H]([C@H]2SC1(C)C)NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C(=O)O MCULE-2512444349 [0,2,0,0,0,0|0,0,0]=2 19 B33R4.2689924676 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)Cl)C)C(=O)O)(C)C MCULE-8029837057 [0,2,0,0,0,0|0,0,0]=2 20 B33R4.2689924676 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C(=O)O)(C)C MCULE-2156084837 [0,2,0,0,0,0|0,0,0]=2 21 B33R4.2689924676 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C(=O)[O-])(C)C MCULE-1443878714 [0,2,0,0,0,0|0,0,1]=3 22 B33R4.2689924676 [C@H]12SC([C@@H](N1C(=O)[C@H]2NC(=O)C3=C(ON=C3C4=C(C=CC=C4Cl)F)C)C(=O)[O-])(C)C MCULE-3217429279 [0,2,0,0,0,0|0,0,1]=3