0 B28R3.1315629502 C=CC1=C(N2C(=O)C(C2SC1)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O MCULE-1693056906 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.1315629502 C=CC1=C(N2C(=O)[C@H](C2SC1)NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O MCULE-6718563017 [0,0,0,0,0,0|0,0,0]=0 2 B28R3.1315629502 [C@H]1(C(=O)N2[C@@H]1SCC(=C2C(=O)O)C=C)NC(=O)C(=NO)C3=CSC(=N3)N MCULE-9827721537 [0,0,0,0,0,0|0,0,0]=0 3 B28R3.1315629502 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O)C=C MCULE-1327946265 [0,0,0,0,0,0|0,0,0]=0 4 B28R3.1315629502 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)C=C MCULE-9396433990 [0,0,0,0,0,0|0,0,0]=0 5 B27R3.1217603665 [C@H]12CCC(=C(N1C(=O)[C@H]2NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)Cl MCULE-5074820987 [1,0,0,0,0,0|2,0,0]=3 6 B27R3.1217603665 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NO)C3=CSC(=N3)N)C(=O)O)Cl MCULE-6367850047 [1,0,0,0,0,0|1,0,0]=2 7 B29R3.3651310000 C1(C(=O)N2C1SCC(=C2C(=O)O)COC)NC(=O)C(=NO)C3=CSC(=N3)N MCULE-5250109391 [0,1,0,0,0,0|0,0,2]=3 8 B29R3.3651310000 COCC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)/C(=N\O)/C3=CSC(=N3)N)C(=O)O MCULE-8811182586 [0,1,0,0,0,0|0,0,2]=3 9 B29R3.4644384341 CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CO)/C3=CSC(=N3)N MCULE-2523210814 [0,1,0,0,0,0|1,0,1]=3 10 B29R3.4644384341 CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CS)/C3=CSC(=N3)N MCULE-9510140789 [0,1,0,0,0,0|1,0,1]=3 11 B29R3.4644384341 CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)CS)C3=CSC(=N3)N MCULE-8455816297 [0,1,0,0,0,0|1,0,1]=3 12 B29R3.4644384341 CON=C(C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)CS)C3=CSC(=N3)N MCULE-9786755873 [0,1,0,0,0,0|1,0,1]=3 13 B26R3.430014242 C=CC1=C(N2C(=O)[C@H]([C@H]2SC1)NC(=O)CC3=CSC(=N3)N)C(=O)O MCULE-7729870023 [2,0,0,0,0,0|0,0,1]=3 14 B28R3.841008141 CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)O)C)C3=CSC(=N3)N MCULE-8150295612 [1,1,0,0,0,0|0,0,1]=3 15 B28R3.841008141 CON=C(C(=O)NC1C(=O)N2C1SCC(=C2C(=O)[O-])C)C3=CSC(=N3)N MCULE-8087460063 [1,1,0,0,0,0|0,0,2]=4 16 B28R3.841008141 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)/C(=N/OC)/C3=CSC(=N3)N)C(=O)O)C MCULE-6342781059 [1,1,0,0,0,0|0,0,1]=3 17 B28R3.841008141 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O)C MCULE-6991347339 [1,1,0,0,0,0|0,0,1]=3 18 B28R3.841008141 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O)C MCULE-1739170303 [1,1,0,0,0,0|0,0,1]=3 19 B28R3.841008141 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O)C MCULE-5284733480 [1,1,0,0,0,0|0,0,1]=3 20 B28R3.841008141 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O)C MCULE-6067601589 [1,1,0,0,0,0|0,0,1]=3 21 B30R3.4282069244 C1(C(=O)N2C1SCC(=C2C(=O)O)COC)NC(=O)C(=NOC)C3=CSC(=N3)N MCULE-6307798029 [0,2,0,0,0,0|0,0,2]=4 22 B30R3.4282069244 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)N)C(=O)O)COC MCULE-2393773621 [0,2,0,0,0,0|0,0,2]=4 23 B30R3.4282069244 [C@H]12SCC(=C(N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CSC(=N3)N)C(=O)O)COC MCULE-8627886894 [0,2,0,0,0,0|0,0,2]=4