Compound Name

SMILES String

CSc1ccc(CNC(=O)c2ccc3nncn3c2)cc1

CN(C)Cc1ccc(CNC(=O)c2ccc3nncn3c2)cc1

O=C(NCc1ccc(CN2CCC2)cc1)c1ccc2nncn2c1

Fc1cnc(NCc2ccc(CNC(=O)c3ccc4nncn4c3)cc2)nc1

CCNC(=O)c1ccc2n(C3CCN(C[C@@H](O)c4ccc(Cl)cc4)CC3)c(=O)[nH]c2c1 |r|

CCNC(=O)c1ccc2n(C3CCN(CC4(O)CCCCC4)CC3)c(=O)[nH]c2c1

CCNC(=O)c1ccc2n(C3CCN(CC4(O)CCCCC4)CC3)c(C)nc2c1

CCNC(=O)c1ccc2c(c1)nc(n2[C@H]3CCN(C[C@@H]3C)CC4(CCCCC4)O)C

CCNC(=O)c1ccc2n([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(nc2c1)C(F)F |r|

CCNC(=O)c1ccc2n([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(nc2c1)-c1cccn(C)c1=O |r|

CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(C)nn2c1

CCNC(=O)c1ccc2c(C3CCN(CC4(O)CCCCC4)CC3)c(nn2c1)-c1cccn(C)c1=O

CCNC(=O)c1ccc2c(C3CCN(C[C@]4(O)C5CC6CC(C5)CC4C6)CC3)c(C)nn2c1 |r,wU:15.15,TLB:14:15:18:21.22.20,16:15:18.19.25:23.21.22,THB:14:15:18.19.25:23.21.22,23:24:18:21.22.20,23:21:18:15.25.24,20:19:15:23.21.22,20:21:15:18.19.25,(-1.93,-8.54,;-2.93,-7.38,;-2.43,-5.92,;-3.44,-4.76,;-4.95,-5.05,;-2.94,-3.3,;-1.42,-3.01,;-.92,-1.56,;-1.92,-.39,;-1.75,1.13,;-.4,1.87,;.91,1.08,;2.28,1.82,;2.28,3.35,;3.62,4.11,;3.62,5.65,;4.95,6.42,;2.14,5.35,;1.13,4.19,;1.42,5.89,;.64,7.12,;1.5,8.26,;1.31,6.67,;2.97,8.54,;3.79,7.27,;2.81,6.21,;.97,4.15,;-.4,3.4,;-3.13,1.8,;-3.41,3.31,;-4.19,.67,;-3.44,-.68,;-3.95,-2.14,)|

CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCCCC4)C[C@@H]3C)c(C)nn2c1 |r|

CCNC(=O)c1ccc2c([C@H]3CCN(CC4(O)CCOCC4)C[C@@H]3C)c(C)nn2c1 |r|

C[C@H]1CN(CC2(O)CCOCC2)CC[C@@H]1c1c(C)nn2cc(ccc12)C(=O)NCC1CC1 |r|

COC1(CN2CC[C@@H]([C@@H](C)C2)c2c(C)nn3cc(ccc23)C(=O)NCC2CC2)CCOCC1 |r|

Oc1cccc(c1)-c1cc(no1)C(=O)NC1CCCC1

Oc1cccc(c1)-n1cnc(c1)C(=O)NC1CCCC1

Oc1cccc(c1)-n1cc(cn1)C(=O)NC1CCCC1

Oc1cccc(c1)-c1cc([nH]n1)C(=O)NC1CCCC1

Oc1cccc(-c2cc(no2)C(=O)NC2CCCC2)c1Cl

Oc1cc(ccc1Cl)-c1cc(no1)C(=O)NC1CCCC1

Oc1cc(cc2ncccc12)-c1cc(no1)C(=O)NC1CCCC1

CN(C)C(=O)c1ccc(cc1O)-c1cc(no1)C(=O)NC1CCCC1

CN(C)C(=O)c1ccc(cc1O)-c1cc(no1)C(=O)N[C@@H]1CCc2ccccc12 |r|

CN(C)C(=O)c1ccc(cc1O)-c1cc(no1)C(=O)N(C)C1CCCC1

CC(C)(C)c1ccc(s1)C(=O)N2CCCC2

O=C(Nc1ccc(s1)C(=O)N1CC(C1)c1nc2ccccc2s1)[C@@H]1C[C@H](CN1)OCCCCCO[C@H]1CN[C@@H](C1)C(=O)Nc1ccc(s1)C(=O)N1CC(C1)c1nc2ccccc2s1 |r|

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|