0 B28R3.651718 COC1=C(C=C2C(=C1)CCN([C@H]2C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC MCULE-5952348719 [0,0,0,0,0,0|0,0,0]=0 1 B28R3.651718 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)N(=O)=O)C MCULE-1718479386 [0,0,0,0,0,0|0,0,2]=2 2 B27R3.782780 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)N(=O)=O)OC MCULE-8870290653 [1,0,0,0,0,0|0,0,2]=3 3 B27R3.190197501 COC1=CC=C(C=C1)C(=O)N2CCC3=C(C2C)C=C(C(=C3)OC)OC MCULE-4192110911 [1,0,0,0,0,0|2,0,0]=3 4 B29R3.11700733 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C3=CC=C(C=C3)C(F)(F)F)OC MCULE-4529055117 [0,1,0,0,0,0|3,0,0]=4 5 B29R3.11700733 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C MCULE-3843096801 [0,1,0,0,0,0|3,0,0]=4 6 B29R3.160461644 COC1=C(C=C2C(=C1)CCN(C2C)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)OC MCULE-5395757778 [0,1,0,0,0,0|3,0,0]=4 7 B29R3.160461644 COC1=C(C=C2C(=C1)CCN(C2C)S(=O)(=O)C3=CC=C(C=C3)N(=O)=O)OC MCULE-8323404176 [0,1,0,0,0,0|1,0,2]=4 8 B27R3.1045391 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CSC(=C3)C(=O)C)C MCULE-5314382007 [0,0,0,0,1,0|3,0,0]=4 9 B29R3.11700735 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)NC(=O)C)C MCULE-3014014963 [0,0,0,0,0,1|2,0,0]=3 10 B26R3.20831427 CCC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC MCULE-5225001077 [2,0,0,0,0,0|2,0,0]=4 11 B26R3.20831427 COC1=CC=C(C=C1)C(=O)N2CCC3=CC(=C(C=C3C2)OC)OC MCULE-6903186680 [2,0,0,0,0,0|2,0,0]=4 12 B26R3.177569 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C3=CC=C(C=C3)C)OC MCULE-8361308622 [2,0,0,0,0,0|1,0,0]=3 13 B26R3.177569 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C3=CC=C(C=C3)F)OC MCULE-1139922318 [2,0,0,0,0,0|1,0,0]=3 14 B26R3.177569 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C3=CC=C(N=C3)Cl)OC MCULE-2788263226 [2,0,0,0,0,0|2,0,0]=4 15 B26R3.177569 COC1=C(C=C2C(=C1)CCN(C2C)C(=O)C3=NNC(=O)C=C3)OC MCULE-3206443008 [2,0,0,0,0,0|2,0,0]=4 16 B26R3.177569 COC1=C(C=C2C(=C1)CCN([C@H]2C)C(=O)C3=CC=C(C=C3)F)OC MCULE-4367269265 [2,0,0,0,0,0|1,0,0]=3 17 B26R3.177569 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)Br)C MCULE-6377320344 [2,0,0,0,0,0|1,0,0]=3 18 B26R3.177569 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)Cl)C MCULE-2279903571 [2,0,0,0,0,0|1,0,0]=3 19 B26R3.177569 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=C(C=C3)N)C MCULE-6255952497 [2,0,0,0,0,0|0,0,1]=3 20 B28R3.342812 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC(=C(C=C3)N(=O)=O)C)OC MCULE-4068351348 [1,1,0,0,0,0|0,0,2]=4 21 B28R3.342803 COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)NC(=O)C)OC MCULE-5023974830 [1,0,0,0,0,1|2,0,0]=4 22 B28R3.342857 COC1=C(C=C2CN(CCC2=C1)C(=O)CC3=CC=C(C=C3)N(=O)=O)OC MCULE-1216898395 [1,0,0,0,0,1|0,0,2]=4 23 B28R3.342857 COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=C(C=C3)C(=O)O)OC MCULE-9700909119 [1,0,0,0,0,1|1,0,1]=4 24 B28R3.651722 COC1=C(C=C2C(=C1)CCN([C@H]2C)C(=O)C3=CC=CC(=C3)[N+](=O)[O-])OC MCULE-9642916437 [0,0,0,0,1,1|0,0,0]=2 25 B28R3.651722 COC1=CC2=C(C=C1OC)C(N(CC2)C(=O)C3=CC=CC(=C3)N(=O)=O)C MCULE-2425035115 [0,0,0,0,1,1|0,0,2]=4