0 B31R3.836948412 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CCN(CC)CC)C=CC=C3 MCULE-3464979114 [0,0,0,0,0,0|0,0,0]=0 1 B31R3.836948412 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CC[NH+](CC)CC)C=CC=C3 MCULE-6710604792 [0,0,0,0,0,0|0,0,1]=1 2 B30R3.878514862 CCN(CC)CCC(=O)N1C2=CC(=CC=C2SC3=C1C=CC=C3)NC(=O)OC MCULE-5588004360 [1,0,0,0,0,0|0,0,0]=1 3 B32R3.1949119726 CCOC(=O)NC1=CC=C2C(=C1)N(C3=CC=CC=C3S2=O)C(=O)CCN(CC)CC MCULE-3816772099 [0,1,0,0,0,0|0,0,1]=2 4 B32R3.1949119726 CCOC(=O)NC1=CC=C2C(=C1)N(C3=CC=CC=C3S2=O)C(=O)CCN(CC)CC MCULE-4678332611 [0,1,0,0,0,0|0,0,1]=2 5 B30R3.702723986 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CN(CC)CC)C=CC=C3 MCULE-5279478902 [0,0,0,0,1,0|0,0,0]=1 6 B30R3.702723986 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CN(CC)CC)C=CC=C3 MCULE-5294181333 [0,0,0,0,1,0|0,0,0]=1 7 B32R3.1206757648 CCOC(=O)NC1=CC2=C(C=C1)CCC3=C(N2C(=O)CCN(CC)CC)C=CC=C3 MCULE-1280056358 [0,0,0,0,0,1|1,0,0]=2 8 B32R3.1206757648 CCOC(=O)NC1=CC2=C(C=C1)CCC3=C(N2C(=O)CCN(CC)CC)C=CC=C3 MCULE-3055376217 [0,0,0,0,0,1|1,0,0]=2 9 B29R3.737362243 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CCN(C)C)C=CC=C3 MCULE-5844174769 [2,0,0,0,0,0|0,0,0]=2 10 B29R3.737362243 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CCN(C)C)C=CC=C3 MCULE-8791822406 [2,0,0,0,0,0|0,0,0]=2 11 B29R3.2229377545 CCNCCC(=O)N1C2=CC(=CC=C2SC3=C1C=CC=C3)NC(=O)OCC MCULE-7837653735 [2,0,0,0,0,0|0,0,0]=2 12 B29R3.2229377545 CCNCCC(=O)N1C2=CC(=CC=C2SC3=C1C=CC=C3)NC(=O)OCC MCULE-9434973923 [2,0,0,0,0,0|0,0,0]=2 13 B29R3.2229377545 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CCCCCl)C=CC=C3 MCULE-1403647187 [2,0,0,0,0,0|2,0,0]=4 14 B33R3.3377453815 CCN(CC)CCC(=O)N1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)NC(=O)OC(C)C MCULE-1485945115 [0,1,0,0,0,1|1,0,0]=3 15 B33R3.3377453815 CCN(CC)CCC(=O)N1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)NC(=O)OC(C)C MCULE-2362909860 [0,1,0,0,0,1|1,0,0]=3 16 B33R4.347440762 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CCN4CCOCC4)C=CC=C3 MCULE-2907779244 [0,1,0,1,0,0|0,0,0]=2 17 B33R4.347440762 CCOC(=O)NC1=CC2=C(C=C1)SC3=C(N2C(=O)CC[NH+]4CCOCC4)C=CC=C3 MCULE-2107794795 [0,1,0,1,0,0|0,0,1]=3 18 B31R3.2370983842 CCN(CC)CCC(=O)N1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)NC(=O)OC MCULE-2611697439 [1,0,0,0,0,1|1,0,0]=3 19 B31R3.2370983842 CCN(CC)CCC(=O)N1C2=C(C=CC=C2)CCC3=C1C=C(C=C3)NC(=O)OC MCULE-9595195192 [1,0,0,0,0,1|1,0,0]=3 20 B31R3.1195676884 CCOC(=O)NC1=CC2=C(C=C1)C=CC3=C(N2C(=O)CN(CC)CC)C=CC=C3 MCULE-9656339824 [0,0,0,0,1,1|1,0,0]=3 21 B31R3.1195676884 CCOC(=O)NC1=CC2=C(C=C1)CCC3=C(N2C(=O)CN(CC)CC)C=CC=C3 MCULE-5006350751 [0,0,0,0,1,1|1,0,0]=3