0 B23R3.976487 CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3 MCULE-8934614901 [0,0,0,0,0,0|0,0,2]=2 1 B23R3.976487 CCOC1=CC2=C(C=C1)N=C(S2)NCCN3CCOCC3 MCULE-3965502653 [0,0,0,0,0,0|2,0,1]=3 2 B23R3.976487 CCOC1=CC2=C(C=C1)N=C(S2)SCCN3CCCCC3 MCULE-3493348906 [0,0,0,0,0,0|2,0,1]=3 3 B23R3.976487 CCOC1=CC=C2N=C(NC2=C1)SCCN3CCOCC3 MCULE-1552432680 [0,0,0,0,0,0|0,0,2]=2 4 B23R3.976487 CCOC1=CC=C2NC(=NC2=C1)SCCN3CCOCC3 MCULE-4247432816 [0,0,0,0,0,0|0,0,0]=0 5 B23R3.976487 CCOC1=CC=C2NC(=NC2=C1)SCCN3CCOCC3 MCULE-6790024852 [0,0,0,0,0,0|0,0,0]=0 6 B22R3.114212 CCC1=CC2=C(C=C1)N=C(S2)NCCN3CCOCC3 MCULE-1522370842 [1,0,0,0,0,0|2,0,1]=4 7 B22R3.114212 COC1=CC2=C(C=C1)N=C(S2)NCCN3CCOCC3 MCULE-3976633482 [1,0,0,0,0,0|2,0,1]=4 8 B22R3.114212 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCCCC3 MCULE-2300956099 [1,0,0,0,0,0|1,0,0]=2 9 B22R3.114212 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCCCC3 MCULE-8118948997 [1,0,0,0,0,0|1,0,0]=2 10 B22R3.114212 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCOCC3 MCULE-1827094344 [1,0,0,0,0,0|0,0,0]=1 11 B22R3.114212 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCOCC3 MCULE-9676983162 [1,0,0,0,0,0|0,0,0]=1 12 B22R3.114212 COC1=CC2=C(C=C1)SC(=N2)NCCN3CCOCC3 MCULE-6315585814 [1,0,0,0,0,0|2,0,0]=3 13 B24R3.510567 CCOC1=CC=C2N=C(SC2=C1)SCC(=O)N3CCOCC3 MCULE-1495394070 [0,1,0,0,0,0|1,0,2]=4 14 B24R3.510567 CCOC1=CC=C2NC(=NC2=C1)SCC(=O)N3CCOCC3 MCULE-6228078278 [0,1,0,0,0,0|0,0,1]=2 15 B22R2.136516 CCOC1=CC=C(C=C1)CC(=O)NCCN2CCOCC2 MCULE-9057227048 [0,0,1,0,0,0|3,0,0]=4 16 B22R2.136516 CCOC1=CC=C(C=C1)NC(=O)NCCN2CCCCC2 MCULE-1066042605 [0,0,1,0,0,0|3,0,0]=4 17 B22R2.136516 CCOC1=CC=C(C=C1)NC(=O)NCCN2CCOCC2 MCULE-1578066956 [0,0,1,0,0,0|2,0,0]=3 18 B24R3.510590 CCOC1=CC2=C(C=C1)N=C(S2)NCCCN3CCOCC3 MCULE-1408893500 [0,0,0,0,0,1|2,0,1]=4 19 B21R2.5948 COC1=CC=C(C=C1)NC(=O)NCCN2CCOCC2 MCULE-4254803772 [1,0,1,0,0,0|2,0,0]=4 20 B21R2.5948 COC1=CC=C(C=C1)NC(=S)NCCN2CCOCC2 MCULE-8978063108 [1,0,1,0,0,0|2,0,0]=4 21 B21R3.154845 CC1=CC2=C(C=C1)N=C(O2)SCCN3CCOCC3 MCULE-6107531241 [2,0,0,0,0,0|1,0,1]=4 22 B21R3.154845 CC1=CC2=C(C=C1)NC(=N2)SCCC3CCCCC3 MCULE-7499325387 [2,0,0,0,0,0|2,0,0]=4 23 B21R3.154845 CC1=CC2=C(C=C1)NC(=N2)SCCN3CCCCC3 MCULE-2521827844 [2,0,0,0,0,0|1,0,0]=3 24 B21R3.154845 CC1=CC2=C(C=C1)NC(=N2)SCCN3CCCCC3 MCULE-3935994448 [2,0,0,0,0,0|1,0,0]=3 25 B21R3.154845 CC1=CC2=C(C=C1)NC(=N2)SCCN3CCOCC3 MCULE-2995446852 [2,0,0,0,0,0|0,0,0]=2 26 B21R3.154845 CC1=CC2=C(C=C1)NC(=N2)SCCN3CCOCC3 MCULE-6935519212 [2,0,0,0,0,0|0,0,0]=2 27 B23R3.2040682 COC1=CC2=C(C=C1)NC(=N2)SCC(=O)N3CCOCC3 MCULE-2954456325 [1,1,0,0,0,0|0,0,1]=3 28 B23R3.2040682 COC1=CC=C2NC(=NC2=C1)SCC(=O)N3CCCCC3 MCULE-4539039876 [1,1,0,0,0,0|1,0,1]=4 29 B21R2.2563 CCOC1=CC=C(C=C1)NC(=O)CCN2CCCCC2 MCULE-4219937807 [0,0,1,0,1,0|2,0,0]=4 30 B21R2.2579 CCOC1=CC=C(C=C1)C(=O)NCCN2CCOCC2 MCULE-1752829498 [0,0,1,0,1,0|2,0,0]=4 31 B21R2.29406 CCOC1=CC=C(C=C1)NC(=O)NCCN2CCCC2 MCULE-2651850344 [0,0,1,0,1,0|2,0,0]=4 32 B21R2.13988 CCOC1=CC(=CC=C1)C(=O)NCCN2CCOCC2 MCULE-1905418881 [0,0,1,0,1,0|2,0,0]=4 33 B21R3.71111 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCCC3 MCULE-2718512081 [1,0,0,0,1,0|0,0,0]=2 34 B21R3.71111 COC1=CC2=C(C=C1)NC(=N2)SCCN3CCCC3 MCULE-9198095553 [1,0,0,0,1,0|0,0,0]=2 35 B23R2.41792 CCOC1=CC=C(C=C1)NC(=S)NCCCN2CCOCC2 MCULE-8665567920 [0,0,1,0,0,1|2,0,0]=4 36 B23R3.2040703 COC1=CC2=C(C=C1)SC(=N2)NCCCN3CCOCC3 MCULE-9008870383 [1,0,0,0,0,1|2,0,0]=4