2346 SMILES Strings for Progesterone receptor
Compound Name
SMILES String
Brc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1 |c:14|
Brc1ccc(s1)S(=O)(=O)N1CCCCC(=N1)c1cccc(Br)c1 |c:15|
Brc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
C1C[N+]23CC(O[Gd-4]22456OC(C[N+]12CC[N+]4(CCCCCCOCC([C@@H]1[C@]2(CCC4[C@@]7(C)CCC(=O)C=C7CCC4C2CC1)C)=O)CC[N+]5(CC3)CC(O6)=O)=O)=O |r,c:38|
C1[N+]23CC[N+]45CC[N+]6(CC([C@@H]7[C@]8(C)C(CC7)C7C([C@@]9(C(CC7)=CC(CC9)=O)C)CC8)=O)[Gd-4]242([N+](CC6)(CC(O2)=O)C1)(OC(C5)=O)OC(=O)C3 |r,c:23|
C=CCC1(CC=C)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
CC#CC1(O)CCCc2cc(ccc12)-c1ccc(C#N)n1C
CC#C[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2oc(nc2c1)C(F)(F)F)NC=O |r,c:17,t:10|
CC#C[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2ocnc2c1)NC=O |r,c:17,t:10|
CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
CC#C[C@]1(C)CCC2C3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC(=O)C(CCC(O)=O)=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O |r,c:18|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C(=C[C@]12C)c1ccc(cc1)N(C)C |r,c:18,21,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(O)cc1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OCCCCCCCCCBr)cc1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(OC[C@@H](O)C[C@@H](O)CC(O)=O)cc1 |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)CCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)CCCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)NCCCCCC(=O)N[C@@H](CC(C)C)C(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)NCCCCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=O)Nc1ccc(Cl)cc1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C(=S)Nc1ccc(Cl)cc1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCC(=O)Nc1ccc(C(N)=O)c(O)c1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCC(N)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCC1OCCO1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCC=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCCCCCCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCCO |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCCCCOC(=O)CCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCO |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCOC(=O)CCC(O)=O |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)CCCOCc1ccc(C(N)=O)c(O)c1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)CC(O)=O |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H](O)C[C@@H](O)CC(O)=O |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C[C@@H]1C[C@@H](O)CC(=O)O1 |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1 |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)P(C)(C)=O |c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2oc(C)nc2c1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2oc(nc2c1)C(F)(F)F |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc2ocnc2c1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](OC[C@]12C)c1ccc(cc1)N(C)C |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@](Cl)(C[C@]12C)c1cc(Cl)c(N(C)C)c(Cl)c1 |r,c:18,t:11|
CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |r,c:18,t:11|
CC(=C)C[C@@](O)([C@@H](Nc1cccc2c1cc[nH]c2=O)c1cc(Br)ccc1O)C(F)(F)F |r|
CC(=C)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](OC[C@]12C)c1ccc(cc1)S(C)(=O)=O |r,c:18,t:11|
CC(=O)C=C1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |w:3.2,t:22|
CC(=O)N1C(OC(C)(C)c2cc(ccc12)-c1csc(c1)C#N)C(F)(F)F
CC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1 |r|
CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CC(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
CC(=O)N\N=C\c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CC(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:7:10:13:16.18.17,18:17:13.12.11:15,THB:19:17:13:11.10.15,19:10:13:16.18.17,20:17:13:11.10.15,20:17:13.12.11:15,18:12:15:16.17.19|
CC(=O)OC(OC(C)=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CC(=O)OCN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CC(=O)OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
CC(=O)Oc1cc2CCCCCCCCCOC(=O)c2c(OC(C)=O)c1
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
CC(=O)c1ccc(cc1)-c1ccc(C#N)n1C
CC(=O)c1ccc(cc1)C1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:27|
CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|
CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |c:19,t:28,35|
CC(=O)c1ccc(s1)-c1ccc2oc(=O)ccc2c1
CC(=O)c1ccc-2c(Cc3cc4NC(C)(C)C=C(C)c4cc-23)c1 |t:16|
CC(=O)c1ccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c2c1)NC(=O)C(F)(F)F
CC(=O)c1cccc(c1)-c1ccc2NC(=O)C(C)(C)c2c1
CC(=O)c1cccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c12)NC(=O)C(F)(F)F
CC(=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CC(C)(C)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CC(C)(C)C(=O)OCN1C(OC(C)(C)c2cc(ccc12)-c1csc(c1)C#N)C(F)(F)F
CC(C)(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
CC(C)(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |(33.41,-19.38,;32.08,-20.14,;30.75,-19.36,;32.06,-18.6,;32.07,-21.68,;30.73,-22.44,;30.72,-23.97,;32.06,-24.76,;32.04,-26.3,;33.36,-25.52,;33.36,-27.06,;30.7,-27.06,;29.38,-26.28,;28.05,-27.03,;26.73,-26.26,;25.39,-27.03,;26.73,-24.73,;28.06,-23.96,;28.06,-22.42,;29.39,-24.74,;25.41,-23.95,;25.41,-22.41,;24.07,-21.63,;22.74,-22.41,;22.73,-23.95,;21.58,-24.98,;20.25,-24.21,;22.21,-26.39,;23.75,-26.23,;24.07,-24.72,)|
CC(C)(C)c1ccc(CC(O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3C(=O)OCc3c2)cc1
CC(C)(C)c1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
CC(C)(C)c1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1 |c:17|
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)(CC(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O
CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1ccccc1
CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1)c1ccccc1
CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O
CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(CCc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(CNc1cccc2c1cc[nH]c2=O)C(F)(F)F)c1cccc(F)c1O
CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O
CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
CC(C)(CC(O)(Cc1cc(O)cc(O)c1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccc(F)cc1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(F)c1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(O)c1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F)c1ccccc1S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(Cl)cc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccc(F)cc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1cccc2CCS(=O)(=O)c12
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1C(N)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F)c1ccccc1S(N)(=O)=O
CC(C)(CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(Br)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)C#N
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F)c1cccc2CCOc12
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1ccccc1
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cccnc1
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cncnc1
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc(F)c1
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2CCOc12
CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O
CC(C)(CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccccc1S(C)(=O)=O
CC(C)(CC(O)(Cc1ccc(cc1)-c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1ccc2ccccc2c1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1cccc(O)c1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O
CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1ccccc1O)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cc1ccccn1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cc(F)ccc1O
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccc(F)cc1O
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1cccc2CCOc12
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1
CC(C)(CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F)c1ccccc1O
CC(C)(CC(O)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1
CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O |r,c:15|
CC(C)(C[C@@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
CC(C)(C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
CC(C)(C[C@](O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F)c1cc(cc2CCOc12)S(C)(=O)=O |r|
CC(C)(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
CC(C)(O)C(C)(C)n1ccc2c(C#N)c(ccc12)C#N
CC(C)(O)c1cc(ccc1N)-c1cccc(Cl)c1
CC(C)(O)c1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CCC1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)NC1CCC1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@H](F)C1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O |r|
CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
CC(C)=CCC1(C)C(=O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |(32.68,-5.02,;31.14,-5.03,;30.36,-3.7,;30.38,-6.37,;28.84,-6.39,;28.08,-7.73,;27.3,-6.39,;29.42,-8.5,;30.75,-7.73,;29.42,-10.04,;30.18,-11.37,;30.9,-9.64,;28.08,-10.81,;26.76,-10.05,;25.43,-10.83,;25.43,-12.37,;24.09,-10.06,;24.09,-8.52,;25.42,-7.75,;25.41,-6.21,;26.75,-8.51,;22.76,-7.75,;22.76,-6.2,;21.42,-5.44,;20.1,-6.21,;20.09,-7.74,;18.94,-8.78,;19.56,-10.19,;21.1,-10.03,;21.43,-8.52,)|
CC(C)C(=C)\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
CC(C)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CC(C)C(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CC(C)C(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)n1C
CC(C)C(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(C)C(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
CC(C)C1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1cccs1
CC(C)C1(OCC(=S)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
CC(C)C1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
CC(C)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
CC(C)CC(N(CC(C)C)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(C)CC(N(CC(C)C)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CC(C)CC(N(CC1CCC1)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CC(C)CC(N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(C)CC(N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CC(C)CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(C)CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CC(C)CCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CC(C)CN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1c(F)cc(\C=C\C(O)=O)cc1F |r|
CC(C)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
CC(C)CNC(=S)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
CC(C)CNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)CN[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
CC(C)CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CC(C)C[C@@H](N(CC1CCC1)c1ccc(C#N)c(Cl)c1)c1nnnn1C |r|
CC(C)C[C@H](N(CC1CCC1)c1ccc(C#N)c(Cl)c1)c1nnnn1C |r|
CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2CCC(=O)Nc2c1 |r|
CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
CC(C)C[C@H]1C[C@H](C1)c1nnc([C@H]2CN(C[C@@H]2C(=O)Nc2ccc(C)cc2C)C(C)=O)n1C1CC1 |r,wU:4.3,6.8,12.12,wD:16.18,(2.36,7.33,;2.68,6.14,;1.81,5.27,;4.17,5.74,;4.56,4.26,;5.9,3.48,;5.11,2.21,;3.79,2.92,;5.62,.75,;7.1,.32,;7.14,-1.22,;5.7,-1.71,;5.38,-3.22,;6.42,-4.36,;5.65,-5.7,;4.14,-5.38,;4,-3.86,;2.66,-3.08,;2.67,-1.85,;1.33,-3.85,;-.01,-3.08,;0,-1.54,;-1.33,-.76,;-2.67,-1.53,;-3.73,-.91,;-2.67,-3.07,;-1.34,-3.84,;-1.35,-5.07,;6.27,-7.1,;5.55,-8.1,;7.5,-7.23,;4.75,-.52,;3.21,-.57,;1.93,-1.26,;2.03,.28,)|
CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)N1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CC(C)N1C(=O)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc12
CC(C)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CC(C)N1C[C@H](CC1=O)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CC(C)NC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2c(Cl)c[nH]c12 |r,wU:7.6,wD:8.8,(8.71,-22.74,;7.37,-23.51,;7.37,-25.05,;6.04,-22.73,;4.7,-23.5,;4.7,-25.04,;3.37,-22.73,;2.04,-23.49,;.7,-22.71,;.7,-21.17,;-.64,-23.49,;-.64,-25.04,;.69,-25.81,;2.03,-25.04,;3.57,-25.04,;2.02,-26.58,;-1.97,-25.81,;-3.3,-25.04,;-4.64,-25.81,;-3.3,-23.5,;-1.97,-22.73,;-1.98,-21.19,;-4.63,-22.73,;-4.63,-21.19,;-5.96,-20.42,;-7.3,-21.19,;-7.29,-22.74,;-8.42,-23.78,;-9.93,-23.47,;-7.78,-25.17,;-6.26,-25,;-5.96,-23.5,)|
CC(C)NS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)OC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)|
CC(C)Oc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
CC(C)Oc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O |r|
CC(C)S(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CC(C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)S(=O)(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CC(C)S(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
CC(C)[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(=O)n(C)c1)c1ccccc1 |r|
CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CC(C)c1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
CC(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
CC(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29|
CC(C)c1ncc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)cc2n1
CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
CC(C)n1c2c[c-](ccc2nc1=[OH+])-c1cccc(c1)[N+]([O-])=O
CC(C)n1c2cc(ccc2[nH]c1=O)-c1cc(Cl)cc(Cl)c1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1cc(F)cc(c1)C#N
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(Cl)c1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(F)c1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(c1)C#N
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccc(F)cc1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1cccc(Cl)c1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1cccc(F)c1
CC(C)n1c2cc(ccc2[nH]c1=O)-c1ccccc1F
CC(C)n1c2cc(ccc2[nH]c1=O)-c1sc(cc1C)C#N
CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12
CC(C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
CC(C)n1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
CC(CN1CCCC2CCCNC12)OCC(=O)N1Nc2cc(O)ccc2C2COc3cc(O)ccc3C12
CC(CO)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)(C)C |w:1.0|
CC(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(cc1)C(C)C |w:1.0|
CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C
CC(N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)C(=O)N(C)C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1cc(C)no1
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1ccnn1C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1cn(C)nn1
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1csc(C)n1
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nccn1C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)n1C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)o1
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
CC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CC(N=O)c1ccc(cc1)-c1ccc(C#N)n1C
CC(O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
CC(O)c1ccc(cc1)-c1ccc(C#N)n1C
CC(O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
CC(n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccc(Cl)cc1
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccc(F)cc1
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
CC1(C)C(=O)N(C(=O)c2ccccc12)c1cccc(Cl)c1
CC1(C)C(=O)N(C(=O)c2ccccc12)c1cccc(F)c1
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccccc1
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccccc1Cl
CC1(C)C(=O)N(C(=O)c2ccccc12)c1ccccc1F
CC1(C)C(=O)Nc2ccc(cc12)-c1cc(Cl)cc(Cl)c1
CC1(C)C(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
CC1(C)C(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)C(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)[N+]([O-])=O
CC1(C)C(=O)Nc2ccc(cc12)-c1ccc(s1)C#N
CC1(C)C(=O)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O
CC1(C)C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(C)C(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
CC1(C)C(=O)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
CC1(C)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(C)CC(=C)c2c(N1)ccc1-c3ccccc3OC(c3ccc(Cl)cc3)c21
CC1(C)CC(=O)c2c(N1)ccc1-c3ccccc3OC(c3ccc(Cl)cc3)c21
CC1(C)CC(=O)c2ccc(cc12)-c1ccc(Cl)c(Cl)c1
CC1(C)CC(=O)c2ccc(cc12)-c1cccc(Cl)c1
CC1(C)CC(=O)c2ccc(cc12)-c1cccc(c1)C#N
CC1(C)CC(N=O)c2ccc(cc12)-c1ccc(Cl)c(Cl)c1
CC1(C)CC(N=O)c2ccc(cc12)-c1cccc(Cl)c1
CC1(C)CC(N=O)c2ccc(cc12)-c1cccc(c1)C#N
CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
CC1(C)CN(N=C(C1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:5|
CC1(C)C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
CC1(C)C[C@@](O)([C@@H](Nc2cccc3c2cc[nH]c3=O)c2ccc(F)c(O)c12)C(F)(F)F |r|
CC1(C)Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nccn12
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccc2nncn12
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cccn2nccc12
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1ccnc2ncccc12
CC1(C)Nc2c3CCCc3c(cc2C(C)(C)C1=O)-c1cncc2nccn12
CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F |c:17|
CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
CC1(C)Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
CC1(C)Nc2ccc(cc2C(C)(C)O1)-c1cccc(Cl)c1
CC1(C)Nc2ccc(cc2C(C)(C)O1)-c1csc(c1)C#N
CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1cccc(O)c1Cl |c:16|
CC1(C)Nc2ccc(cc2C(CSCC=C)=C1)-c1ccccc1F |c:16|
CC1(C)Nc2ccc(cc2C(CSCCc2ccccc2)=C1)-c1cccc(O)c1Cl |c:22|
CC1(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c2C(C)(C)C1=O
CC1(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c2C=C1 |c:29|
CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
CC1(C)OC(=O)N(Cc2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc12
CC1(C)OC(=O)N(c2ccccc2)c2ccc(Nc3ccc(Br)cc3)cc12
CC1(C)OC(=O)Nc2c(F)cc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OC(=O)Nc2ccc(Nc3cccc(Cl)c3Cl)cc12
CC1(C)OC(=O)Nc2ccc(cc12)-c1[nH]ccc1C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1c[nH]c(c1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(C=O)[nH]1
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(Cl)cc1
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(c1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C(=O)C(F)(F)F
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc([nH]1)[N+]([O-])=O
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(o1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(s1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc[nH]1
CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(F)c1
CC1(C)OC(=O)Nc2ccc(cc12)-c1cccc(c1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1ccccc1Cl
CC1(C)OC(=O)Nc2ccc(cc12)-c1cnc(o1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
CC1(C)OC(=S)Nc2c(Br)cc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OC(=S)Nc2c(Br)cc(cc12)-c1ccc(C#N)c(F)c1
CC1(C)OC(=S)Nc2c(Br)cc(cc12)-c1ccc(Cl)c(F)c1
CC1(C)OC(=S)Nc2c(F)cc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(Br)cc(OC(F)(F)F)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(Br)cc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(Cl)cc(Cl)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(Cl)cc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(Br)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(F)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(F)cc(c1)C(F)(F)F
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(OC(F)(F)F)cc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cc(cc(c1)C#N)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccc(F)c(F)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccc(o1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccc(s1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1cccc(Br)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cccc(F)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1cccc(F)c1F
CC1(C)OC(=S)Nc2ccc(cc12)-c1cccc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccccc1Cl
CC1(C)OC(=S)Nc2ccc(cc12)-c1ccccc1F
CC1(C)OC(=S)Nc2ccc(cc12)-c1cncc(Br)c1
CC1(C)OC(=S)Nc2ccc(cc12)-c1coc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N
CC1(C)OC(=S)Nc2ccc(cc12)S(=O)(=O)N1c2ccccc2COc2cc(F)ccc12
CC1(C)OC(=[SH+])[N-]c2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)C(F)(F)F
CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccccc1
CC1(C)OC(Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
CC1(C)OC(Nc2ccc(cc12)-c1cccc(Cl)c1)C(F)(F)F
CC1(C)OC(Nc2ccc(cc12)-c1csc(c1)C#N)C(F)(F)F
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(Cl)cc(Cl)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(Cl)cc(c1)C#N
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(Cl)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(F)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(F)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc(F)cc1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cccc(F)c1
CC1(C)OCC(=O)Nc2ccc(cc12)-c1cccc(F)c1F
CC1(C)OCC(=O)Nc2ccc(cc12)-c1ccccc1F
CC1(C)OCC(=S)Nc2ccc(cc12)-c1cc(F)cc(F)c1
CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)|
CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)|
CC1(CC=C)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(Cc2ccccc2)C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(Cc2ccccc2)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(Cc2ccccc2)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
CC1(OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1)c1ccccc1
CC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1cccs1
CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1
CC1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C(I)=C |t:8|
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)\C=C/I |t:8|
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)\C=C\I |t:8|
CC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](I)C2O |t:8|
CC12CCCN1c1cc3[nH]c(=O)cc(c3cc1CC2)C(F)(F)F
CC1=C(C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |c:1|
CC1=C(C)[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,c:1,t:28|
CC1=CC(=C)C(Cc2ccc(c(C)c2)[N+]([O-])=O)C(C)(C)C1 |t:1|
CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
CC1=CC(=C)C(Cc2ccc3nonc3c2)C(C)(C)C1 |t:1|
CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
CC1=CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|
CC1=CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|
CC1=CC(C)(C)Nc2cc(F)c-3c(Cc4cc(F)ccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2cc(F)c3-c4ccc(F)cc4C(O)c3c12 |t:1|
CC1=CC(C)(C)Nc2cc3C(=O)c4cc(F)ccc4-c3c(F)c12 |t:1|
CC1=CC(C)(C)Nc2cc3C(=O)c4cccc(F)c4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(=O)c4ccccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(Cc4ccccc4)c4cc(Br)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4c(cc(F)cc4F)-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4cc(Br)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4cc(F)cc(F)c4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4cc(F)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4cccc(F)c4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4ccccc4-c3c(Cl)c12 |t:1|
CC1=CC(C)(C)Nc2cc3C(O)c4ccccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3C(OC(=O)C(F)(F)F)c4cc(F)ccc4-c3c(F)c12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4c(-c3cc12)c(F)ccc4F |t:1|
CC1=CC(C)(C)Nc2cc3Cc4c(cccc4CO)-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4c(cccc4F)-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(Br)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(Cl)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(F)ccc4-c3c(F)c12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(F)ccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(c(F)cc4-c3cc12)[N+]([O-])=O |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cc(ccc4-c3cc12)[N+]([O-])=O |t:1|
CC1=CC(C)(C)Nc2cc3Cc4cccc(F)c4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3Cc4ccccc4-c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|
CC1=CC(C)(C)Nc2cc3[nH]c4ccccc4c3cc12 |t:1|
CC1=CC(C)(C)Nc2cc3c(-c4ccc(F)cc4C3(C)O)c(F)c12 |t:1|
CC1=CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|
CC1=CC(C)(C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |t:1|
CC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc12 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)c(s1)C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(Br)cs1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(F)c1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)[N+]([O-])=O |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Br)s1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(C=O)s1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(Cl)s1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(F)c1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1cccs1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccsc1C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(C=O)c1 |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
CC1=CC(C)(C)Nc2ccc(cc12)-c1sc(cc1Br)C#N |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4c(Br)cc(O)c(Cl)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4ccc(O)c(Cl)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#C)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#N)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(Cl)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(OC(F)F)c-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(Br)cc(Br)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(C)cc(Cl)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(Cl)cccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)c(C=O)c(Br)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Br)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(cc-34)C#N)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4cc(ccc-34)C(F)(F)F)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Br)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(C)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Cl)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(F)cc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)-c3ccccc3)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(COc4ccccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(Cc4c-3cccc4F)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(Cc4cc(Br)ccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(Cc4cc(c(F)cc-34)[N+]([O-])=O)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(Cc4cc(ccc-34)[N+]([O-])=O)c12 |t:1|
CC1=CC(C)(C)Nc2ccc-3c(Cc4ccccc-34)c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(12.82,-5.82,;14.16,-6.59,;15.49,-7.36,;15.49,-8.9,;15.48,-10.44,;16.82,-8.13,;14.15,-9.66,;12.82,-8.89,;11.48,-9.66,;10.15,-8.87,;10.16,-7.35,;8.82,-6.58,;7.49,-7.35,;6.16,-6.58,;4.83,-7.35,;6.16,-5.04,;7.49,-4.27,;8.83,-5.04,;10.16,-4.25,;11.5,-5.04,;12.83,-4.27,;12.83,-2.74,;14.16,-1.97,;15.5,-2.74,;16.85,-1.98,;15.49,-4.29,;16.83,-5.06,;14.16,-5.05,;11.5,-6.58,;12.82,-7.35,)|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccc(F)c(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCCC=C4)c3c12 |r,c:26,t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)cc(F)c4O[C@@H]([C@H]4CCC[C@@]5(C)O[C@@H]45)c3c12 |r,t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(=C(c4ccccc4)c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(=C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(11.28,-6.52,;12.62,-7.29,;13.95,-8.06,;13.95,-9.6,;13.94,-11.14,;15.28,-8.83,;12.61,-10.37,;11.28,-9.6,;9.94,-10.37,;8.61,-9.57,;8.62,-8.05,;7.29,-7.28,;5.96,-8.06,;4.63,-7.29,;3.29,-8.06,;4.63,-5.74,;5.96,-4.97,;7.29,-5.74,;8.62,-4.95,;9.96,-5.74,;11.3,-4.98,;11.3,-3.44,;12.63,-2.67,;13.96,-3.44,;15.31,-2.68,;13.96,-4.99,;15.29,-5.76,;12.63,-5.75,;9.96,-7.29,;11.28,-8.06,)|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1,(9.99,-5.01,;11.32,-5.78,;12.66,-6.55,;12.66,-8.1,;12.66,-9.64,;13.99,-7.33,;11.32,-8.86,;9.99,-8.07,;8.64,-8.86,;7.3,-8.07,;7.33,-6.55,;5.97,-5.78,;4.64,-6.55,;3.3,-5.78,;1.97,-6.55,;3.3,-4.23,;4.64,-3.46,;5.99,-4.23,;7.33,-3.44,;8.66,-4.23,;9.99,-3.46,;9.99,-1.93,;11.32,-1.15,;12.68,-1.93,;14.01,-1.17,;12.66,-3.48,;14.01,-4.26,;11.32,-4.24,;8.66,-5.78,;9.99,-6.55,)|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccc(F)c(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4OC(c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/Br)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/C#N)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/C4CCCCC4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/C=O)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4Br)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C#N)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C=O)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4Cl)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4OC(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccn4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccco4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccc(F)cc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccc(F)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4cccc(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CCCCCl)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(Cc4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(C)cc(Br)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(Cl)cc(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(F)cc(Br)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)nc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)c(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(F)c(c4)C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(F)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(cc4)C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Br)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Br)n4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4c(F)cccc4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cc(F)cc(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cc(F)ccc4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(Br)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(C)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(Cl)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)c(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)cc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)cc4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(Br)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(C)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(Cl)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4Br)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4Cl)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4F)c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3c4ccccc4[nH]c3c12 |t:1|
CC1=CC(C)(C)Nc2ccc3c4ccccc4oc3c12 |t:1|
CC1=C[C@@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27|
CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27|
CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|
CC1=NCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1 |t:1|
CC1C(=O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12
CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12
CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12
CC1C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CC1C(=O)Nc2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
CC1CC(=NN1S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 |c:3|
CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
CC1CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F
CC1CC(C)(C)Nc2c(C)cc(-c3c[nH]c4ccccc34)c(Cl)c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(-c3cc4ccccc4[nH]3)c(Cl)c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(Cl)cc2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)cc2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(Cl)c2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc2cc[nH]c2c1 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2[nH]ccc12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2c(C)c[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc(C)[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0|
CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2ccn(C)c12 |w:1.0|
CC1CC(C)(C)Nc2cc3Cc4ccccc4-c3cc12
CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
CC1CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
CC1CC(C)(C)Nc2ccc-3c(COc4c(C)cc(F)cc-34)c12
CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
CC1CC(C)(C)Nc2ccc-3c(COc4c-3cc(F)cc4[N+]([O-])=O)c12
CC1CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12
CC1CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12
CC1CC(N=O)c2ccc(cc12)-c1ccc(C#N)n1C
CC1CC(O)c2ccc(cc12)-c1ccc(C#N)n1C
CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:3|
CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12 |t:28|
CC1CCN(N=C1c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:5|
CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
CC1CN(N=C(C1)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 |c:4|
CC1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|
CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
CC1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(F)c(Cl)c1
CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(F)c(c1)C#N
CC1Nc2ccc(cc2C(C)(C)O1)-c1ccc(s1)C#N
CC1Nc2ccc(cc2C(C)(C)O1)-c1cccc(Cl)c1
CC1Nc2ccc(cc2C(C)(C)O1)-c1cccc(F)c1
CC1Nc2ccc(cc2C(C)(C)O1)-c1coc(c1)C#N
CC1Nc2ccc(cc2C(C)(C)O1)-c1csc(c1)C#N
CC1Nc2ccc(cc2C(C)(C)O1)-c1sc(cc1C)C#N
CC1Nc2ccc(cc2C(C)(O1)c1ccccc1)-c1cc(F)cc(c1)C#N
CC1Nc2ccc(cc2C2(CCCCC2)O1)-c1csc(c1)C#N
CC1Nc2ccc(cc2C2(CCCCC2)O1)-c1sc(cc1C)C#N
CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
CC1OC(=S)Nc2ccc(cc12)-c1cccc(F)c1
CC1OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
CC1OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N
CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
CC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:18|
CC1c2cc(Br)ccc2-c2cc3C(C)=CC(C)(C)Nc3cc12 |c:14|
CC1c2cc3c(cc(=O)[nH]c3cc2NC(C)(C)C1(C)C)C(F)(F)F
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|
CCC(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CCC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r|
CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CCC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCC(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CCC(=O)O[C@@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)SCF |r,c:18,t:14|
CCC(=O)c1ccc(cc1)-c1ccc(C#N)n1C
CCC(=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCC(C(=O)OC)n1c(C)cc2c(c(ccc12)C#N)C(F)(F)F
CCC(C)(C)C(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
CCC(C)CSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7|
CCC(C)N1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCC(CC)n1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1cc(F)cc(c1)C#N
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(C#N)n1C
CCC(CC)n1c2cc(ccc2[nH]c1=S)-c1ccc(F)c(Cl)c1
CCC(Cc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(C)c(OC)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(C)ccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(Cl)cc(Cl)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cc(F)cc(F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc(C)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc(C)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc(O)c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc(OC)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccc2ccccc2c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cccc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1cccc2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(Cc1ccccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C
CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
CCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnnn1C
CCC(N=O)c1ccc(cc1)-c1ccc(C#N)n1C
CCC(O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC
CCC(O)c1ccc(cc1)-c1ccc(C#N)n1C
CCC(O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCC(OCC=C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:7|
CCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F
CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1C)C(F)(F)F
CCC1(CC)C(=O)N(C(=O)c2ccccc12)c1ccc(Cl)cc1
CCC1(CC)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
CCC1(CC)C(=O)Nc2c1cc(cc2F)-c1ccc(C#N)n1C
CCC1(CC)C(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C
CCC1(CC)C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CCC1(CC)C(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CCC1(CC)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(Cl)cc(Cl)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(F)cc(c3)C#N)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cc(F)cc(c3)[N+]([O-])=O)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(C#N)c(F)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(Cl)c(Cl)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(Cl)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(F)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3ccc(F)c(c3)C#N)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc12
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3Cl)cc12
CCC1(CC)OC(=S)N(C)c2ccc(Nc3ccc(F)c(F)c3)cc12
CCC1(CC)OC(=S)Nc2ccc(cc12)-c1cccc(Cl)c1
CCC1(CC)OC(=[SH+])[N-]c2ccc(cc12)-c1cccc(c1)[N+]([O-])=O
CCC1(O)CC(C)(C)c2cc(ccc12)-c1ccc(C#N)n1C
CCC1(OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc12)c1ccc(Cl)cc1 |w:2.1|
CCC1(OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc12)c1ccccc1 |w:2.1|
CCC1(OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc12)c1cccs1 |w:2.1|
CCC1(OCC(=O)N(C)c2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccco1
CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccsc1
CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1ccco1
CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1cccs1
CCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1ccsc1
CCC1(OCC(=O)Nc2ccc(cc12)-c1coc(c1)C#N)c1ccco1
CCC1(OCC(=O)Nc2ccc(cc12)-c1csc(c1)C#N)c1cccs1
CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(OC)c(F)c2)C(=C)O1 |c:18,t:2,11|
CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)C(C)=O)C(=C)O1 |c:18,t:2,11|
CCC1=N[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CCC5=C4[C@H](C[C@]23C)c2ccc(cc2)N(C)C)C(=C)O1 |c:18,t:2,11|
CCC1C(=O)Nc2ccc(cc12)-c1cccc(Cl)c1
CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:4|
CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
CCC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
CCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
CCCC(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CCCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nnc(C)n1C
CCCC(N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1)c1nncn1C
CCCC(OCC=C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:8|
CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1
CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
CCCC1(CCC)C(=O)N(C(=O)c2ccccc12)c1ccc(Cl)cc1
CCCC1(CCC)C(=O)N(C(=O)c2ccccc12)c1ccc(cc1)C#N
CCCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(C#N)n1C)c1cccs1
CCCC1(OCC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1)c1cccs1
CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC |c:10,t:3|
CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:10,t:3|
CCCC1=C([C@@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|
CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:15,t:11|
CCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:11,t:4|
CCCCC1Oc2cc(F)ccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCCC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
CCCCC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
CCCCCC(=O)N(C)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:12:15:18:22.20.21,24:21:18.19.32:16,THB:23:21:18:32.15.16,23:15:18:22.20.21,24:21:18:32.15.16,20:19:16:22.21.23,20:21:18.19.32:16|
CCCCCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:32,39|
CCCCCC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:11:14:17:20.22.21,22:21:17.16.15:19,THB:23:21:17:15.14.19,23:14:17:20.22.21,24:21:17:15.14.19,24:21:17.16.15:19,22:16:19:20.21.23|
CCCCCC(O)[C@@H]1C2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O |r,c:17,t:10|
CCCCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
CCCCCCCC(=O)OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCCCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:34,41|
CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCCCCCOC(=O)c1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
CCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:31,38|
CCCCCCn1c(ccc1-c1cc2c(C)cc(=O)oc2cc1OC)C#N
CCCCCCn1c(ccc1-c1ccc2oc(=O)ccc2c1)C#N
CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCCn1c2cc(ccc2[nH]c1=O)-c1cc(F)cc(c1)C#N
CCCCCn1c2cc(ccc2[nH]c1=O)-c1ccc(C#N)n1C
CCCCCn1c2cc(ccc2[nH]c1=O)-c1ccc(F)c(Cl)c1
CCCCN([C@H]1CCN(C)C1)c1ccc(C#N)c(Cl)c1 |r|
CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCCCNC(=O)CCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:37,44|
CCCCNC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:32,39|
CCCCNC(=S)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:32,39|
CCCCOC(=O)c1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
CCCCS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CCCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
CCCCc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Cl)c(Cl)c1 |t:11|
CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(C)cc2c2ccccc2c1=O
CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
CCCCn1c2ccc(CO)cc2c2ccccc2c1=O
CCCCn1c2ccc(c(OC)c2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(cc2c2ccc(OC)cc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(cc2c2cccc(OC)c2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)(C)C
CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCCn1c2ccccc2c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
CCCCn1c2ccccc2c2ccccc2c1=O
CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:28,35|
CCCN([C@H]1CCN(C)C1)c1ccc(C#N)c(Cl)c1 |r|
CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCCN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CCCN1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:19,t:15|
CCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCOC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCOC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
CCCS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CCCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCCS(=O)(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CCCSC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCSC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
CCCSCC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:5|
CCC\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CCCc1cc(cc2c3ccccc3c(=O)[nH]c12)C(O)(C(F)(F)F)C(F)(F)F
CCCc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
CCCc1cc2c(c(ccc2n1CC(C)(C)O)C#N)C(F)(F)F
CCCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CCCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29|
CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
CCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
CCN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:9:12:15:19.17.18,21:18:15.16.29:13,THB:20:18:15:29.12.13,20:12:15:19.17.18,21:18:15:29.12.13,17:16:13:19.18.20,17:18:15.16.29:13|
CCN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CCN(CC)C(=O)c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCN(CC)Cc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1C
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1CC
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1CC#N
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(C#N)n1Cc1ccccc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(Cl)cc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(F)cc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(N)c(c1)[N+]([O-])=O
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(NC(C)=O)cc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc([nH]1)C#N
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)C#N
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)C(C)=O
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)N(C)C
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)[N+]([O-])=O
CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccc(c1)C#N
CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1
CCN(C[C@](O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
CCN([C@H]1CCN(C)C1)c1ccc(C#N)c(Cl)c1 |r|
CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CCN1C(=O)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc12
CCN1C(=S)OC(C)(C)c2cc(ccc12)-c1cc(F)cc(c1)C#N
CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
CCN1C[C@H](CC1=O)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CCN1C[C@H](CC1=O)N(Cc1cc(F)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CCN1C[C@H](CC1=O)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CCNC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO |r,c:18,t:14|
CCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCOC(=O)C1=C(C)N=C(C)C([C@H]1c1cccc2c1oc(C)cc2=O)C(C)=O |r,c:5,t:8|
CCOC(=O)C1Nc2ccc(cc2C(C)(C)O1)-c1cc(F)cc(c1)C#N
CCOC(=O)C1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
CCOC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CCOC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
CCOC(=O)OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CCOC(=O)c1cc2cc(-c3ccccc3)c(cc2oc1=O)N(CC)CC
CCOC1=CC(=O)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:3|
CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)CC=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
CCOP(=O)(OCC)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:33,40|
CCOP(C)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
CCOP(O)(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:31,38|
CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(18.93,7.26,;17.6,6.5,;17.59,4.96,;16.25,4.2,;16.24,2.67,;17.57,1.88,;18.91,2.64,;17.56,.34,;18.88,1.12,;18.88,-.43,;16.22,-.42,;14.9,.36,;13.57,-.4,;12.25,.37,;10.91,-.39,;12.25,1.91,;13.58,2.68,;13.58,4.21,;14.91,1.9,;10.93,2.69,;10.93,4.23,;9.59,5.01,;8.26,4.23,;8.25,2.69,;7.1,1.66,;5.77,2.43,;7.73,.25,;9.27,.41,;9.59,1.92,)|
CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13|
CCOc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
CCOc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
CCOc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1
CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
CCOc1ncc(C)c2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:11|
CCOc1nccc2NC(C)=C(C#N)[C@@H](c3ccc(cc3OC)C#N)c12 |r,t:10|
CCS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)c(F)c1 |(36.99,-28.77,;35.66,-29.54,;34.32,-28.76,;33.54,-27.42,;35.08,-27.42,;32.99,-29.54,;31.65,-28.77,;31.65,-27.22,;30.31,-26.46,;30.31,-24.92,;28.99,-27.23,;27.66,-26.46,;27.69,-24.92,;26.24,-24.41,;25.31,-25.64,;23.77,-25.61,;22.23,-25.57,;26.19,-26.91,;25.68,-28.36,;28.98,-28.77,;27.65,-29.54,;30.32,-29.54,)|
CCS(=O)(=O)Nc1cc(F)c(cc1F)-c1ccc(C#N)n1C
CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(F)c1
CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(c1)C#N
CCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)c(c1)C(F)(F)F
CCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CCS(=O)(=O)Nc1ccc(cc1)-c1ccc(C#N)n1C
CCS(=O)(=O)Nc1ccc(cc1F)-c1ccc(C#N)n1C
CCS(=O)(=O)Nc1ccc(cc1OC(F)(F)F)-c1ccc(C#N)n1C
CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccc(F)cc3C(N)=O)C(F)(F)F)[nH]c2cn1
CCS(=O)(=O)c1cc2cc(CC(O)(CC(C)(C)c3ccccc3C(N)=O)C(F)(F)F)[nH]c2cn1
CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F |r|
CC[C@@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
CC[C@@H](Cc1ccc(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
CC[C@@H](Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
CC[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
CC[C@@H](Cc1ccc(O)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
CC[C@@H](Cn1cc(C#N)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
CC[C@@H](Cn1cc(C)c2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
CC[C@@H](Cn1ccc2ccccc12)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl |r|
CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:24,t:4|
CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:26,t:4|
CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:25,t:4|
CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F |r|
CC[C@@H]1C[C@@](O)([C@@H](Nc2cc(F)cc3nc(C)ncc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3[nH]c(=O)ccc23)c2cc(F)c(F)c(O)c12)C(F)(F)F |r|
CC[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccc(OC)nc1 |c:15,t:8|
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:15,t:8|
CC[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@H]1C(=O)CO |t:8|
CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
CC[C@@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
CC[C@@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1 |r|
CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)C(CC(C)(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|
CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
CC[C@H]1[C@@H](O)CC(=O)N1c1ccc(C#N)c(c1)C(F)(F)F |r|
CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
CC[C@](C(=O)OC)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
CC[C@](CO)(c1ccc(Cl)cc1)n1ccc2c(NS(C)(=O)=O)cccc12 |r|
CC[C@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1cccs1 |r|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,14,27|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,28|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,27|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,31|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,30|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,29|
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,28|
CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:30,t:12|
CC[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:9,28|
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |r,t:9|
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:27,t:9|
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:26,t:9|
CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:28,t:11|
CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
CC\C(=C(/c1ccccc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
CC\C(C)=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CC\C(C)=C1\Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12
CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
CC\C=C\COC(C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:8|
CCc1c[nH]c(CC)c1Oc1ccc(cc1)C#N
CCc1cc(cc2c3ccccc3c(=O)[nH]c12)C(O)(C(F)(F)F)C(F)(F)F
CCc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Cl)c(Cl)c1 |t:9|
CCc1cccc2[nH]c(CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cc12
CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
CCc1cn(CC(=O)N(C)C)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CC(=O)NC)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CC(N)=O)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CC(O)=O)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CCCO)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CCN)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CCOC)c(CC)c1Oc1ccc(cc1)C#N
CCc1cn(CS(C)(=O)=O)c(CC)c1Oc1ccc(cc1)C#N
CCc1nc2cc(ccc2o1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:29,36|
CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12
CCn1c(ccc1-c1cc2c(C)cc(=O)oc2cc1OC)C#N
CCn1c(ccc1-c1ccc2NC(=O)OC(C)(C)c2c1)C#N
CCn1c(ccc1-c1ccc2oc(=O)ccc2c1)C#N
CCn1c2cc(ccc2[nH]c1=O)-c1cccc(Cl)c1
CCn1c2cc3NC(C)(C)C=C(C)c3cc2c(cc1=O)C(F)(F)F |t:10|
CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
CCn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
CCn1c2ccccc2c2ccc3NC(C)(C)C=C(C)c3c12 |t:18|
CCn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
CCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1ccc(C)cc1C
CCn1nnnc1C(C)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
CN(C(=O)c1ccccc1)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:13:16:19:23.21.22,25:22:19.20.33:17,THB:24:22:19:33.16.17,24:16:19:23.21.22,25:22:19:33.16.17,21:20:17:23.22.24,21:22:19.20.33:17|
CN(C(C)=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:8:11:14:18.16.17,20:17:14.15.28:12,THB:19:17:14:28.11.12,19:11:14:18.16.17,20:17:14:28.11.12,16:15:12:18.17.19,16:17:14.15.28:12|
CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
CN(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(C)=O |r|
CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
CN(C)CC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:21,t:14|
CN(C)CC(=O)N1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO |r|
CN(C)\N=C\c1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
CN(C)c1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
CN(C)c1cc2oc(=O)ccc2cc1-c1ccc(F)cc1
CN(C)c1cc2oc(=O)ccc2cc1-c1ccc(cc1)C#N
CN(C)c1cc2oc(=O)ccc2cc1-c1cccc(c1)C#N
CN(C)c1cc2oc(=O)ccc2cc1-c1ccccc1
CN(C)c1ccc(cc1)-c1cc2ccc(=O)oc2cc1O
CN(C)c1ccc(cc1)-c1ccc2oc(=O)ccc2c1
CN(C)c1ccc(cc1)C1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
CN(C)c1ccc(cc1)[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
CN(C)c1ccc(cc1)[C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:13|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:25,32|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)C)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(C)(C)O)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC2CC2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cc(F)cc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:34,41|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Br)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(C)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(Cl)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(F)cc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |r,t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C#N)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:34,41|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(C)(C)C)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:36,43|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:36,43|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(C)c2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(Cl)c2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(F)c2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccc(c2)C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:36,43|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |r,t:32,39|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Br)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C(F)(F)F)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:36,43|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2C)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2Cl)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2F)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:33,40|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccn2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:32,39|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2cccnc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:32,39|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccncc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:32,39|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccsc2)[C@@H]2OCC3=CC(=O)CCC3=C12 |t:31,38|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]22CCCC2=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:28,35|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(OC(C)=O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=COC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |c:19,t:28,35|
CN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3[C@@H]12 |t:28|
CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:26,33|
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:33,40|
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:27,34|
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:31,38|
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:29,36|
CN(C)c1ccc(cc1)[C@H]1OC[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:24,31|
CN(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29|
CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
CN([C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21)C(=O)C(F)(F)F
CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1
CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cccc(Cl)c1
CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccccc1Cl
CN(c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2)S(C)(=O)=O |TLB:5:8:11:15.13.14,17:14:11.12.25:9,THB:16:14:11:25.8.9,16:8:11:15.13.14,17:14:11:25.8.9,13:12:9:15.14.16,13:14:11.12.25:9|
CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CN1C(=O)C(C)(C)c2cc(cc(F)c12)-c1ccc(C#N)n1C
CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc12
CN1C(=O)OC(C)(C)c2cc(Nc3ccc(Cl)c(Cl)c3)ccc12
CN1C(=O)OC(C)(C)c2cc(Nc3cccc(Cl)c3Cl)ccc12
CN1C(=O)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2cc(Nc3cccc(Cl)c3)ccc12
CN1C(=S)C2(CCCCC2)c2cc(ccc12)-c1cccc(Cl)c1
CN1C(=S)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc12
CN1C(=S)OC(C)(C)c2cc(ccc12)-c1cc(F)cc(Br)c1
CN1C(=S)OC(C)(C)c2cc(ccc12)-c1cccc(Br)c1
CN1CC(=O)Nc2ccc(cc2C1(C)C)-c1ccc(F)c(Cl)c1
CN1CC[C@@H](C1)N(CC1CCCCC1)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1c(Cl)cccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccc(Cl)cc1)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1cccc(Cl)c1)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@@H](C1)N(Cc1ccccn1)c1ccc(C#N)c(Cl)c1 |r|
CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccc(F)cc1F)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CN1C[C@H](CC1=O)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
CN1c2cc3[nH]c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:16|
CN1c2cc3n(C)c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:17|
CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
CN1c2ccc(cc2C(C)(OCC1=O)c1cccs1)-c1ccc(C#N)n1C
CN1c2ccc(cc2C(OCC1=O)(c1ccccc1)c1ccccc1)-c1ccc(C#N)n1C
CN1c2ccccc2[C@@H]2[C@H](CCCN2c2cc(Cl)ccc12)NC(=O)C(F)(F)F
CN=NCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1 |w:1.0|
CNC(=O)CC1Oc2cccc(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:24|
CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1 |r|
CNC(=O)OC1C[C@@]2(C)[C@H](C)C3=C(C)C(=O)N(C)C3=CC2=CC1O |r,c:11,19,22|
CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13|
CNC(=O)c1ccccc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
CNCCOc1ccc(cc1)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O
CNc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32|
CNc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COC(=O)C(c1ccc(cc1)-c1ccccc1Cl)n1ccc2c(NS(C)(=O)=O)cccc12
COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:7|
COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|
COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F |t:4,6|
COC(=O)C1[C@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:16,t:13|
COC(=O)CCC(=O)OCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:40,47|
COC(=O)CCC(=O)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:37,44|
COC(=O)CCCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:34,41|
COC(=O)CCCCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:35,42|
COC(=O)CCCCCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:39,46|
COC(=O)CCCCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:36,43|
COC(=O)CCCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:34,41|
COC(=O)CCCCCNC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:37,44|
COC(=O)CCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:31,38|
COC(=O)N(C)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:9:12:15:19.17.18,21:18:15.16.29:13,THB:20:18:15:29.12.13,20:12:15:19.17.18,21:18:15:29.12.13,17:16:13:19.18.20,17:18:15.16.29:13|
COC(=O)N1C(OC(C)(C)c2cc(ccc12)-c1csc(c1)C#N)C(F)(F)F
COC(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1cccc(F)c1F)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
COC(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:8:11:14:17.19.18,19:18:14.13.12:16,THB:20:18:14:12.11.16,20:11:14:17.19.18,21:18:14:12.11.16,21:18:14.13.12:16,19:13:16:17.18.20|
COC(=O)Nc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6|
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
COC(=O)c1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC |t:22|
COC(C)C1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1OC |t:4|
COC1C=C2C=C3N(C)C(=O)C(C)=C3[C@@H](C)[C@]2(C)CC1OC(=O)N(C)C |r,c:12,t:3,5|
COC1Oc2cc(F)ccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
COC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
COC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:20|
COC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
COCC#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@](C)(C[C@]12C)c1ccc(cc1)N(C)C |c:20,t:13|
COCCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39|
COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:30|
CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)|
COc1c(Br)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1c(CO)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:23|
COc1c(Cl)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1c(F)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:30|
COc1c(O)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1c(O)ccc2O[C@@H]([C@@H]3CCCC(C)=C3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |c:15,t:27|
COc1c(O)ccc2O[C@@H]([C@H]3CCCC(C)=C3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |c:15,t:27|
COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|
COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
COc1c(O)ccc2O\C(=C/c3sccc3C(C)O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32|
COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28|
COc1c(OCC#C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
COc1c(OCC#N)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
COc1c(OCC=C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
COc1cc(Br)cc-2c1OCc1c-2ccc2NC(C)(C)C=C(C)c12 |t:22|
COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:9|
COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:9|
COc1cc(CC2C(=C)C=CCC2(C)C)c(O)cc1Br |c:9|
COc1cc(CC2C(=C)CCC2(C)C)c(O)cc1Br
COc1cc(CC2C(=C)CCCC2(C)C)c(O)cc1Br
COc1cc(CC2C(C)=CC(=C)CC2(C)C)c(O)cc1Br |c:8|
COc1cc(CC2C3(CC3)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:11|
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc34)C2=O)cc(OC)c1 |r|
COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10|
COc1cc(C[C@@H]2C(=C)CCCC2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2C(=C)C[C@H](CO)CC2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2C(=C)[C@H](O)CCC2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2C(=C)[C@](C)(O)CCC2(C)C)c(O)cc1Br
COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
COc1cc(C[C@H]2C(=C)CCCC2(C)C)c(O)cc1Br
COc1cc(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br
COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11|
COc1cc(C[C@H]2[C@H](C)CCCC2=C)c(O)cc1Br
COc1cc(C[C@H]2[C@H](C)C[C@@H](C)CC2=C)c(O)cc1Br
COc1cc(Cc2ccc(cc2)[C@@H]2O[C@@H]3C[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@]5(F)[C@@H](O)C[C@]4(C)[C@@]3(O2)C(=O)CO)ccc1N |r,c:26,t:22|
COc1cc(F)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
COc1cc(F)cc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1
COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)|
COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)|
COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1
COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|
COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
COc1cc(cc(OC)c1OC)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(C)c1)Nc1ccc(cc1)[N+]([O-])=O
COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(F)c1)Nc1ccc(cc1)[N+]([O-])=O
COc1cc(cc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
COc1cc(cc2c3ccccc3c(=O)[nH]c12)C(O)(C(F)(F)F)C(F)(F)F
COc1cc(ccc1C#N)-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12
COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1C
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1CC1CCCCC1
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccc(F)cc1
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccc(cc1)C#N
COc1cc2oc(=O)cc(C)c2cc1-c1ccc(C#N)n1Cc1ccccc1
COc1cc2oc(=O)cc(C)c2cc1-c1ccc([nH]1)C#N
COc1cc2oc(=O)ccc2cc1-c1ccc(cc1)N(C)C
COc1cc2oc(=O)ccc2cc1-c1ccccc1
COc1ccc(-c2cc(C)c3NC(C)(C)CC(C)c3c2Cl)c2[nH]ccc12 |w:16.16|
COc1ccc(Br)c2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1ccc(C)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
COc1ccc(C)c2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1ccc(C=C)c2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:23|
COc1ccc(CC(O)(CC(C)(C)c2cc(F)ccc2OC)C(F)(F)F)cc1 |w:7.7|
COc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
COc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1OC
COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(=O)N2CCOCC2)cc1 |r|
COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
COc1ccc(F)cc1-c1c([nH]c2c(NS(C)(=O)=O)cccc12)-c1ccccc1 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;4.33,4.34,;5.55,4.52,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12
COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
COc1ccc(F)cc1-c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
COc1ccc(F)cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
COc1ccc(F)cc1-c1ccc(cc1)[C@H](C)NS(=O)(=O)c1c(C)noc1C |r|
COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(C(C)OCC=C)c2c1 |t:18|
COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3)c2c1 |t:18|
COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:18|
COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:18|
COc1ccc(F)cc1C(C)(C)CC(C)(O)Cc1cc2ccncc2[nH]1
COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CCCc1ccccc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(CCc1ccccc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)CC1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCC(=O)c2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCCc2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOCC1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CN1CCOc2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)C(=O)[C@H](C)C1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)O[C@@H](C)C1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)CC(O)(CN1C[C@H](C)O[C@H](C)C1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2C(=O)OCc2c1)Cc1ccccc1
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(C)ccc2ccccc12)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(Cl)cccc1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)c(C#N)c(C)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(c1)C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)ccc1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C#N)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(cccc2[nH]1)C(F)(F)F)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)ccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(F)ccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ccc2[nH]1)C(F)(F)F)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc[n+]([O-])cc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(C)cc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(F)cc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(cc2[nH]1)C#N)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccc(cc2[nH]1)C(F)(F)F)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C#N)c2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(C)c2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(F)c2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccc(c2[nH]1)C(F)(F)F)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccn2n1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccnc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)(C)C
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(C)C
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CC1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCC1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C1CCCC1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2o1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2s1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cncnc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncccc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)c2ccccc12)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)cc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(Cl)cc1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1)C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1Cl)C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(cc1F)C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(c1)C#N)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc2ccccc12)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Br)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cc(C)nc1C)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2cnccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ncccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)cc1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ccncc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccnc1)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc(=O)c2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(Cn1cnc2ccccc12)C(F)(F)F
COc1ccc(F)cc1C(C)(C)CC(O)(c1ccccc1)C(F)(F)F |w:13.14|
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cc(ccc2[nH]1)C#N)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccccc2[nH]1)C(F)(F)F |r|
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1
COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
COc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
COc1ccc(cc1)C#C[C@]1(O)CC[C@H]2[C@@H]3OCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C |c:26,t:19|
COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
COc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1 |c:15|
COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccc1
COc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Cl)c(Cl)c1 |t:9|
COc1ccc(cc1)C1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:27|
COc1ccc(cc1)C1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:27|
COc1ccc(cc1)C1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:26|
COc1ccc(cc1)N1C(=O)c2ccccc2C(C)(C)C1=O
COc1ccc(cc1)S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
COc1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32|
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:25,32|
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#CC)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:26,33|
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccc(cc2)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:36,43|
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C#Cc2ccccc2)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:32,39|
COc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:28,35|
COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccncc1
COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r|
COc1ccc(cc1F)[C@H]1C[C@@]2(C)[C@@H](CC[C@]22N=C(C)OC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:19,29,36|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CCC22CCCC2=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:34,41|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:34,41|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C)[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:35,42|
COc1ccc(cn1)-c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](C[C@@H](C=C)[C@@H]2C(=O)C2CC2)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:36,43|
COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|
COc1ccc-2c(OC(c3ccccc3)c3c-2ccc2NC(C)(C)C=C(C)c32)c1 |t:26|
COc1ccc-2c(OCc3c-2ccc2NC(C)(C)C=C(C)c32)c1 |t:19|
COc1ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1OC |t:20|
COc1ccc2OC(c3ccc(Cl)cc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:25|
COc1ccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:24|
COc1ccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c2c1 |t:17|
COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:9|
COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl |w:21.23,(12.35,-42.62,;12.35,-44.16,;11.02,-44.93,;9.69,-44.17,;8.36,-44.94,;8.37,-46.49,;7.24,-47.52,;7.87,-48.91,;9.39,-48.74,;9.7,-47.25,;11.03,-46.48,;12.36,-47.25,;12.36,-48.8,;13.69,-49.57,;13.69,-51.11,;15.02,-48.8,;16.36,-49.58,;17.71,-48.8,;18.1,-50.28,;19.19,-48.4,;17.71,-47.25,;16.37,-46.46,;16.37,-44.92,;15.03,-47.24,;13.68,-46.48,;13.68,-44.94,)|
COc1cccc(CC2CCCC3C(NN(C23)c2ccc(F)cc2)C=O)c1
COc1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1
COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)c1
COc1cccc(Oc2ccc(NS(=O)(=O)c3cccc(OC)c3)cc2)c1
COc1cccc(Oc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
COc1cccc(\C=C2/Oc3ccccc3-c3ccc4NC(C)(C)C=C(C)c4c23)c1 |t:25|
COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
COc1cccc(c1)-c1ccc2NC(=O)C(C)(C)c2c1
COc1cccc(c1)-c1ccc2NC(=O)OC(C)(C)c2c1
COc1cccc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1
COc1cccc(c1)-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17|
COc1cccc(c1)-c1ccccc1CNC(=O)c1cnc2n(C)nc(C)c2c1Cl
COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
COc1cccc(c1)C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12
COc1cccc(c1)S(=O)(=O)N(C)c1ccc(Oc2ccccc2)cc1
COc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
COc1cccc(c1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
COc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
COc1cccc(c1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C(F)(F)F |r|
COc1cccc2OC(C(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(C(N)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:19|
COc1cccc2OC(C3CCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
COc1cccc2OC(C3CCCCC3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
COc1cccc2OC(CC#C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(CC(=O)N(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:24|
COc1cccc2OC(CC(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1cccc2OC(CC(O)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(CCC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:22|
COc1cccc2OC(CCN(C)C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:23|
COc1cccc2OC(CCO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(Cc3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:26|
COc1cccc2OC(\C=C/C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(\C=C\C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
COc1cccc2OC(c3ccc(C)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccc(F)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:31|
COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
COc1cccc2OC(c3cccc(c3)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
COc1cccc2OC(c3ccccc3)c3c(Br)c(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
COc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OC(c3cccs3)c3cc(NS(C)(=O)=O)ccc3-c12
COc1cccc2OCc3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:18|
COc1cccc2O[C@@H]([C@H]3CCCC(C)=C3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |c:14,t:26|
COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
COc1ccccc1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCC3CCCCC3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCCc3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccc(Cl)cc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3cccc(Cl)c3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OCCc3ccccc3Cl)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OC\C=C\C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)OC\C=C\c3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(C)SCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(CC=C)OCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(CCc3ccccc3)OCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(Cc3ccccc3)OCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(OCC=C)C(C)C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C(OCC=C)c3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CNCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(COCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CS(=O)CC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC(C)=O)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCC3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSC3CCCCC3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCC=C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCC(C)C)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCCc3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSCc3ccccc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccc(Cl)cc3)c2c1 |t:17|
COc1ccccc1-c1ccc2NC(C)(C)C=C(CSc3ccccc3)c2c1 |t:17|
COc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12
COc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14|
COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14|
COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16|
COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16|
COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18|
COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C(C)C)c1ccc(C#N)c(C)n1 |r,t:12|
COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C)C#N |r|
COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N |r|
COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1c(C)noc1C |r|
COc1ncccc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F |r|
CS(=O)(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1cccc(c1)C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Br)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C#N)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1F)c1ccc(C#N)c(Cl)c1 |r|
CS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
CS(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
CS(=O)(=O)Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:8:11:14:17.19.18,19:18:14.13.12:16,THB:20:18:14:12.11.16,20:11:14:17.19.18,21:18:14:12.11.16,21:18:14.13.12:16,19:13:16:17.18.20|
CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1
CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1
CS(=O)(=O)Nc1cccc2cc[nH]c12
CSCC(C)n1c(cc2c(C#N)c(ccc12)C#N)C(F)F
CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r|
CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
CSc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(C)=C)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:26,33|
CSc1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |r,t:30,37|
CSc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
C[C@@H](CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1)C(O)=O |r|
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|
C[C@@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|
C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
C[C@@H](N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 |r|
C[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(cc1)-c1cccnc1OC(F)F |r|
C[C@@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
C[C@@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
C[C@@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
C[C@@H](n1ccc2c(Cl)c(ccc12)C#N)[C@](C)(O)C(F)(F)F |r|
C[C@@H](n1ccc2c(c(ccc12)C#N)C(F)(F)F)C(C)(C)O |r|
C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12
C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12
C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12
C[C@@H]1CC(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:24,t:3|
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:23,t:3|
C[C@@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|
C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r|
C[C@@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
C[C@@H]1C[C@@](O)([C@@H](Nc2cccc3nc(C)ccc23)c2ccc(F)c(O)c12)C(F)(F)F |r|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl |c:11,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccc(Cl)nc1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccc(F)nc1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccccn1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cccnn1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ccncc1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cnc2ccccc2c1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1cnccn1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]2(C)[C@H]1C(=O)C1CC1)c1ccc(cc1)-c1ncccn1 |c:14,t:7|
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF |r,c:12,t:8|
C[C@@H]1Cc2c([nH]c3ccc(O)cc23)[C@H](N1CCO)c1ccc(Cl)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCC(O)=O)c1ccc(Cl)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(Cl)cc1 |r|
C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CCO)c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)c(Cl)c(cc12)-c1cccc2cc[nH]c12 |r|
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(14.53,-20.63,;14.54,-22.18,;15.87,-22.97,;17.22,-22.22,;15.85,-24.51,;15.83,-26.05,;17.38,-24.51,;14.5,-25.26,;13.19,-24.48,;11.84,-25.24,;10.52,-24.45,;9.17,-25.2,;10.55,-22.91,;11.88,-22.15,;11.9,-20.61,;13.21,-22.94,;9.22,-22.12,;7.88,-22.87,;6.56,-22.08,;6.58,-20.54,;7.92,-19.79,;8.26,-18.29,;9.79,-18.15,;10.4,-19.56,;9.24,-20.58,)|
C[C@@H]1[C@@H](O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@@H]1[C@@H](OC(=O)NC2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(9.67,-11.46,;9.67,-13,;11.01,-13.78,;12.35,-13.01,;13.68,-13.79,;13.68,-15.33,;15.01,-13.02,;16.35,-13.79,;16.33,-15.33,;17.66,-16.1,;19,-15.34,;19,-13.8,;17.67,-13.02,;11.01,-15.33,;11.77,-16.66,;12.55,-15.33,;9.67,-16.09,;8.34,-15.32,;7.01,-16.1,;5.67,-15.33,;4.34,-16.1,;5.68,-13.78,;7,-13.01,;7,-11.47,;8.34,-13.78,;4.34,-13.01,;4.35,-11.47,;3.02,-10.7,;1.68,-11.47,;1.69,-13.03,;.56,-14.06,;-.95,-13.76,;1.19,-15.46,;2.71,-15.28,;3.02,-13.78,)|
C[C@@H]1[C@@H](OC(=O)NCc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |r,wU:2.2,wD:1.0,(22.89,-7.03,;22.89,-8.57,;24.23,-9.35,;25.56,-8.58,;26.89,-9.35,;26.89,-10.89,;28.23,-8.59,;29.56,-9.36,;30.9,-8.59,;32.22,-9.37,;33.56,-8.61,;33.56,-7.06,;32.22,-6.29,;30.89,-7.06,;24.22,-10.89,;25.76,-10.89,;24.21,-12.43,;22.88,-11.66,;21.55,-10.89,;20.22,-11.66,;18.89,-10.89,;17.55,-11.66,;18.89,-9.35,;20.22,-8.58,;20.21,-7.04,;21.55,-9.34,;17.56,-8.58,;17.56,-7.04,;16.23,-6.27,;14.89,-7.04,;14.9,-8.6,;13.77,-9.63,;12.26,-9.32,;14.41,-11.02,;15.93,-10.85,;16.23,-9.35,)|
C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.28,-33.91,;-.28,-35.45,;1.06,-36.23,;2.39,-35.46,;3.72,-36.23,;3.72,-37.77,;5.06,-35.47,;6.39,-36.24,;6.38,-37.78,;7.71,-38.55,;9.05,-37.78,;9.05,-36.24,;7.72,-35.47,;10.38,-38.56,;11.72,-37.79,;10.38,-40.1,;1.05,-37.77,;2.59,-37.77,;1.04,-39.31,;-.29,-38.54,;-1.62,-37.77,;-2.95,-38.54,;-4.28,-37.77,;-5.62,-38.54,;-4.28,-36.23,;-2.95,-35.46,;-2.96,-33.92,;-1.62,-36.22,;-5.61,-35.46,;-5.61,-33.92,;-6.94,-33.15,;-8.28,-33.92,;-8.27,-35.48,;-9.4,-36.51,;-8.76,-37.9,;-7.24,-37.73,;-6.94,-36.23,)|
C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C#N)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(22.68,-34.96,;22.68,-36.5,;24.02,-37.28,;25.36,-36.51,;26.69,-37.28,;26.69,-38.82,;28.03,-36.52,;29.36,-37.29,;29.35,-38.83,;30.68,-39.6,;32.02,-38.83,;32.02,-37.29,;30.69,-36.52,;33.35,-36.52,;34.68,-35.74,;24.02,-38.82,;25.56,-38.82,;24.01,-40.36,;22.68,-39.59,;21.35,-38.82,;20.02,-39.59,;18.69,-38.82,;17.35,-39.59,;18.69,-37.28,;20.02,-36.51,;20.01,-34.97,;21.35,-37.27,;17.35,-36.51,;17.36,-34.97,;16.03,-34.2,;14.69,-34.97,;14.7,-36.53,;13.57,-37.56,;14.21,-38.95,;15.73,-38.78,;16.03,-37.28,)|
C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(.23,-44.76,;.23,-46.3,;1.57,-47.08,;2.9,-46.31,;4.24,-47.08,;4.23,-48.62,;5.57,-46.32,;6.9,-47.09,;6.9,-48.63,;8.23,-49.4,;9.57,-48.63,;9.56,-47.09,;8.23,-46.32,;10.9,-46.32,;12.23,-47.08,;10.9,-44.78,;1.57,-48.62,;3.1,-48.62,;1.56,-50.16,;.23,-49.39,;-1.11,-48.62,;-2.43,-49.39,;-3.77,-48.62,;-5.1,-49.39,;-3.77,-47.08,;-2.44,-46.31,;-2.44,-44.77,;-1.1,-47.07,;-5.1,-46.31,;-5.09,-44.77,;-6.43,-44,;-7.76,-44.77,;-7.76,-46.33,;-8.88,-47.36,;-8.25,-48.75,;-6.73,-48.58,;-6.42,-47.08,)|
C[C@@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
C[C@@H]1[C@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10|
C[C@@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1 |r|
C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C |r|
C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r|
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|
C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:64,71|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:60,67|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:59,66|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:44,51|
C[C@H](CCCOc1ccccc1Cn1c(C)cnc1-c1ccc(OC(F)(F)F)cc1)CC(O)=O |r|
C[C@H](CO)CN1[C@H](C)Cc2c([nH]c3ccccc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1 |r|
C[C@H](CS(C)(=O)=O)n1ccc2c(c(ccc12)C#N)C(F)(F)F |r|
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(C)cc(C)cc1C
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1 |r|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1 |r|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1 |r|
C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1 |r|
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r|
C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
C[C@H](NC(=O)CO)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
C[C@H](NC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO)c1ccccc1 |r,c:18,t:14|
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
C[C@H](Nc1ccc(cn1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(N)cc1 |r,c:22,t:18|
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(Cl)ccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1cc(F)ccc1C)c1ccc(C#N)c(Cl)c1 |r|
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
C[C@H](O)C(=O)N1CC[C@@H](C1)N(Cc1ccccc1C)c1ccc(C#N)c(Cl)c1 |r|
C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|
C[C@H](c1ccc(N)cc1)c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO |r,c:30,t:26|
C[C@H](c1ccc(cc1)[C@@H]1O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1cccc(N)c1 |r,c:22,t:18|
C[C@H](n1ccc2c(Cl)c(ccc12)C#N)C(C)(C)O |r|
C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12
C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12
C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12
C[C@H]1CC(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|
C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F
C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
C[C@H]1COc2cccnc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC(C)(C)CC(C)(C)C)C(=O)CO |r,c:11,t:7|
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NC1CCCCC1)C(=O)CO |r,c:11,t:7|
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCC=C)C(=O)CO |r,c:11,t:7|
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
C[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1C |t:6|
C[C@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
C[C@H]1[C@H](O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
C[C@](O)(Cn1cc(Br)c(F)n1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
C[C@](O)(Cn1cc(F)cn1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|
C[C@](O)(Cn1cc(cn1)C#N)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7|
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:7|
C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)|
C[C@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.20,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(7.07,-47.06,;8.41,-47.83,;8.92,-48.6,;8.93,-50.8,;7.06,-51.32,;5.71,-52.09,;4.38,-51.32,;4.38,-49.77,;5.71,-49,;7.02,-49.92,;8.41,-49.25,;9.95,-50.15,;11.22,-49.41,;12.5,-50.14,;12.51,-51.63,;11.23,-52.37,;9.95,-51.63,;9.17,-46.49,;8.38,-45.16,;10.71,-46.47,;11.47,-45.13,;13.01,-44.95,;13.31,-43.44,;11.97,-42.68,;10.83,-43.72,)|
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
C[C@]1(OCC(=O)Nc2ccc(cc12)-c1ccc([nH]1)C#N)c1ccsc1 |r|
C[C@]1(O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:13,t:9|
C[C@]1(O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:14,t:10|
C[C@]12C=CC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F |c:2,4,10|
C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CC[C@@]2(O)C(F)(F)F |c:4,10|
C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:11|
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:8|
C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C(F)(F)F |t:8|
C[C@]12CCC3C(C[C@@H](CO)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:10|
C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
C[C@]12CCC3C4CCC(=O)C=C4CC(C=C)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,13,25|
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,30|
C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,28|
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8|
C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OC(=O)C=C1 |r,c:29,t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OCC=C1 |r,c:28,t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C |t:8|
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:25,t:8|
C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:28,t:10|
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31 |r|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC21CCCC1=O)c1ccc(cc1)-c1cccnc1 |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1 |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)c1ccccc1)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1 |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C)C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21OCCC1=C)c1ccc(cc1)P(C)(O)=O |c:4,10|
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1C[C@@H](C=C)[C@@H]2C(=O)C1CC1)c1ccc(cc1)-c1cccnc1 |c:4,10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NC2(CC2)c2ccc(N)cc2)nc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(NCc2ccc(N)cc2)nc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:14,t:10|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)c(Cl)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)c(O)c1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Oc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(N)cc2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)SCF)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(O)=O)c1ccc(Cc2cccc(N)c2)cc1 |r,c:15,t:11|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(CSc2cccc(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2ccc(O)c(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)c(O)c1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Cc2cccc(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2ccc(Cl)c(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(Sc2cccc(N)c2)cc1 |r,c:13,t:9|
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@H]1O[C@H](O[C@@]21C(=O)CO)c1ccc(cc1)S(=O)(=O)c1ccc(N)cc1 |r,c:13,t:9|
C[C@]12Cc3cnn(c3C=C1CCC21OCCO1)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1 |c:9|
C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1 |c:9|
C[C@]12Cn3cnc(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1 |r,c:9|
C[N+]1([O-])CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21 |(-8.11,-5.82,;-7.33,-6.77,;-7.71,-7.95,;-6.31,-7.93,;-4.8,-7.72,;-4.32,-6.26,;-5.33,-5.09,;-6.81,-5.34,;-3.66,-7.61,;-4.28,-8.67,;-2.15,-7.51,;-1.85,-6.02,;-.49,-5.27,;-.46,-3.7,;.88,-2.95,;.89,-1.41,;-.48,-.72,;-1.65,-1.74,;-3.13,-1.26,;-3.43,.19,;-2.28,1.22,;-.82,.76,;.17,2,;1.73,1.96,;2.65,.75,;4.13,1.16,;5.24,.07,;6.42,.4,;4.89,-1.36,;3.39,-1.84,;2.28,-.76,;-1.82,-2.91,;-3.2,-3.7,;-3.18,-5.26,)|
C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
Cc1[nH]nc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cc(Cl)ccc1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cccc(Cl)c1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1F
Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|
Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|
Cc1c(CC(O)(CC(C)(C)c2cc(F)ccc2C)C(F)(F)F)[nH]c2cnccc12
Cc1c(Cl)cccc1S(=O)(=O)N1CCCCC(=N1)c1cccc(Cl)c1 |c:17|
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Br)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(F)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl |r|
Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl |r|
Cc1c(S)[nH]c2ccc(cc12)-c1cccc(Cl)c1
Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)|
Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)C)c2c1F |(3.75,-23.11,;5.09,-23.89,;5.72,-25.3,;7.25,-25.14,;7.58,-23.63,;8.91,-22.86,;8.91,-21.31,;7.58,-20.54,;6.25,-21.31,;6.24,-22.85,;10.24,-23.63,;10.23,-25.17,;8.9,-25.94,;11.55,-25.94,;12.88,-25.19,;14.21,-25.96,;15.55,-25.21,;16.87,-24.43,;16.87,-25.97,;15.56,-23.67,;14.23,-22.88,;14.24,-21.34,;15.58,-20.58,;15.58,-19.05,;16.92,-18.29,;14.26,-18.27,;15.57,-17.51,;12.9,-23.64,;11.57,-22.87,;11.57,-21.33,)|
Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)CO)c2c1F |(21.47,-47.3,;22.8,-48.07,;23.43,-49.48,;24.97,-49.32,;25.29,-47.81,;26.63,-47.04,;26.63,-45.5,;25.29,-44.72,;23.96,-45.5,;23.95,-47.04,;27.95,-47.82,;27.95,-49.35,;26.61,-50.12,;29.27,-50.12,;30.6,-49.37,;31.92,-50.15,;33.26,-49.39,;34.58,-48.61,;34.58,-50.15,;33.28,-47.85,;31.94,-47.06,;31.95,-45.52,;33.29,-44.77,;33.3,-43.23,;31.97,-42.45,;33.29,-41.69,;34.63,-42.47,;35.96,-43.25,;30.61,-47.83,;29.28,-47.05,;29.28,-45.51,)|
Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccccc1
Cc1cc(=O)oc2cc(O)c(cc12)-c1ccc(C#N)n1C
Cc1cc(Br)cc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CNc1ccccc1)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(COc1ccccc1)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(CSc1ccccc1)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(C)cccc12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cc(C)cc12)C#N)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2c(cccc12)C#N)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cc(ccc12)C#N)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccc(cc12)C#N)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C#N)c12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2cccc(C)c12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1cc(C#N)c2ccccc12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2c(cccc12)C#N)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ccccc12)C(F)(F)F
Cc1cc(C)c(c(C)c1)S(=O)(=O)NC(Cn1ccc2ncccc12)C(F)(F)F
Cc1cc(C)cc(CC(O)(CC(C)(C)c2cc(F)ccc2O)C(=O)Nc2ccc3C(=O)OCc3c2)c1
Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
Cc1cc(F)ccc1-n1nc(cc1-c1cc(F)c2OCC(=O)Nc2c1)C(F)(F)F
Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
Cc1cc(c(Cl)c2C(=O)C(C)(C)C(C)(C)Nc12)-c1cccc2cc[nH]c12
Cc1cc(c(Cl)c2C(=O)CC(C)(C)Nc12)-c1cccc2cc[nH]c12
Cc1cc(c(Cl)c2c1NC(C)(C)C(=O)C2(C)C)-c1cccc2cc[nH]c12
Cc1cc(c(Cl)c2c1NC(C)(C)C(=O)C2(C)CC=C)-c1cccc2cc[nH]c12
Cc1cc(c(Cl)c2c1NC(C)(C)C(=O)C2(C)Cc1ccccc1)-c1cccc2cc[nH]c12
Cc1cc(c(Cl)c2c1NC(C)(C)C(O)C2(C)C)-c1cccc2cc[nH]c12
Cc1cc(cc(c1)-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F
Cc1cc(cc2c1[nH]c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F
Cc1cc(cc2c1[nH]c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Cc1cc(cc2c1n(C)c(=O)c1cc(F)ccc21)C(O)(C(F)(F)F)C(F)(F)F
Cc1cc(cc2c1n(C)c(=O)c1ccccc21)C(O)(C(F)(F)F)C(F)(F)F
Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11|
Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1 |r|
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)C(=O)CNc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12 |c:14|
Cc1cc(ccc1OCCN1CCC=C(C1)C(O)=O)N1Nc2cc(O)ccc2-c2c1c1ccc(O)cc1oc2=O |c:14|
Cc1cc(ccc1OCCN1Cc2cccnc2C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |t:24|
Cc1cc(ccc1OCCN1Cc2ncccc2C=C1)C(=O)C1=C(COc2cc(O)ccc12)c1ccc(O)cc1 |c:20,t:25|
Cc1cc(sc1-c1ccc2NC(=O)C(C)(C)c2c1)C#N
Cc1cc(sc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
Cc1cc2CCOc2c(c1)C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
Cc1cc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3C)C(F)(F)F)[nH]c2cn1
Cc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)cncc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(N)ncc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)C(N)=O)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(nnc2[nH]1)-c1ccccc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(C)(C)C
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C1CC1
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnncc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(cnc2[nH]1)-c1ccccc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1ccccc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)-c1cccnc1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCCC1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCOCC1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(ncc2[nH]1)N1CCS(=O)(=O)CC1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nccnc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nnccc2[nH]1)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C |r|
Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F |r|
Cc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2nnccc2[nH]1)C(F)(F)F |r|
Cc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2cnccc2[nH]1)C(C)(C)C |r|
Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
Cc1ccc(O)c(c1)C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Cc1ccc(O)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Cc1ccc(c(c1)C(N)=O)C(C)(C)CC(O)(Cc1cc2cc(ncc2[nH]1)S(C)(=O)=O)C(F)(F)F
Cc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)c(F)c1)c1cccc(F)c1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)cc1)c1cccc(F)c1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccsc1
Cc1ccc(cc1)C(=O)CC(Nc1cccc(c1)[N+]([O-])=O)c1cccc(F)c1
Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|
Cc1ccc(cc1)C(=O)C[C@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|
Cc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1 |c:14|
Cc1ccc(cc1)N1C(=O)c2ccccc2C(C)(C)C1=O
Cc1ccc(s1)-c1ccc2oc(=O)ccc2c1
Cc1ccc2[nH]cc(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c2c1
Cc1ccc2c(CC(NS(=O)(=O)c3c(C)cc(C)cc3C)C(F)(F)F)c[nH]c2c1
Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
Cc1cccc(CC(O)(CC(C)(C)c2cc(F)ccc2O)C(=O)Nc2ccc3C(=O)OCc3c2)c1
Cc1cccc(c1)-c1ccc2C(=O)CC(C)(C)c2c1
Cc1cccc(c1)-c1ccc2C(CC(C)(C)c2c1)N=O
Cc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
Cc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1
Cc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
Cc1ccccc1C(C)(C)CC(O)(Cc1cc2ncncc2[nH]1)C(F)(F)F
Cc1ccccc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc12)C(F)(F)F
Cc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12
Cc1ccccc1CC(O)(CC(C)(C)c1cc(F)ccc1O)C(=O)Nc1ccc2C(=O)OCc2c1
Cc1ccccc1CN([C@H]1CCN(C1)S(C)(=O)=O)c1ccc(C#N)c(Cl)c1 |r|
Cc1ccsc1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:15|
Cc1ccsc1-c1ccc2oc(=O)ccc2c1
Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)|
Cc1cnn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.53,-4.52,;3.46,-3.71,;4.96,-4.03,;5.74,-2.7,;4.71,-1.55,;4.96,-.35,;3.32,-2.19,;2,-1.39,;.66,-2.11,;-.68,-1.39,;-.68,.15,;-2,.92,;-3.35,.15,;-4.41,-.49,;-3.32,1.38,;-3.35,-1.39,;-4.41,-2.03,;-2,-2.11,;-.91,-2.69,;-3.08,-2.71,;.66,.92,;.98,2.43,;2.53,2.6,;3.17,1.19,;2,.15,)|
Cc1nc(ccc1C#N)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(O)=O |r,c:11|
Cc1ncc2c(N[C@H]3c4ccc(F)c(O)c4C(C)(C)C[C@]3(O)C(F)(F)F)cc(F)cc2n1 |r|
Cc1nn(C)c(c1-c1cc(C)c2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F |(36.03,-29.04,;37.44,-28.41,;38.77,-29.18,;39.91,-28.15,;41.42,-28.47,;39.28,-26.74,;37.76,-26.9,;36.72,-25.76,;37.2,-24.3,;36.17,-23.15,;34.67,-23.47,;33.64,-22.32,;32.13,-22.65,;31.65,-24.11,;30.15,-24.43,;32.68,-25.25,;34.19,-24.94,;35.22,-26.08,;40.05,-25.41,;39.28,-24.07,;40.05,-22.74,;41.59,-22.74,;42.36,-21.41,;42.36,-24.07,;41.59,-25.41,;42.36,-26.74,)|
Cc1nn(CC(F)(F)CCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCC#N)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(CCNS(C)(=O)=O)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(Cc2ccccc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(Cc2ccccn2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1nn(Cc2ccncc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12
Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2OCOc12 |(2.56,-4.56,;3.49,-3.74,;5.01,-4.07,;5.79,-2.72,;4.75,-1.57,;5,-.35,;3.35,-2.21,;2.02,-1.41,;.67,-2.13,;-.68,-1.41,;-.68,.15,;-2.02,.93,;-3.38,.15,;-4.45,-.49,;-3.35,1.39,;-3.38,-1.41,;-4.45,-2.05,;-2.02,-2.13,;-.92,-2.72,;-3.1,-2.73,;.67,.93,;.99,2.45,;2.55,2.62,;3.19,1.2,;2.02,.15,)|
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)cc1Cl |(-3.24,3.89,;-4.16,3.07,;-5.67,3.39,;-6.44,2.05,;-5.41,.91,;-5.66,-.3,;-4.02,1.55,;-2.69,.77,;-1.33,1.54,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;3.72,-.13,;2.64,-2,;2.67,.77,;3.74,1.39,;1.33,1.54,;.25,2.13,;2.42,2.13,;-1.33,-1.54,;-2.69,-.77,;-3.75,-1.39,)|
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
Cc1noc(C)c1-c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1
Cc1noc(C)c1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1
Cc1noc(C)c1S(=O)(=O)NCc1ccc(cc1)-c1ccccc1
Cc1onc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Cc1sc(C#N)c(C)c1-c1ccc2NC(C)(C)C=C(C)c2c1 |t:18|
Cc1sc(cc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
ClCOC(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
Clc1cc(Cl)c(cc1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1cc(Cl)cc(c1)C(=O)N1CCCC(=N1)c1ccc(Br)cc1 |c:15|
Clc1cc(Cl)cc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1ccc(CN2CCCC(=N2)c2ccccc2)cc1Cl |c:10|
Clc1ccc(CN2N=C(CCC2=O)c2ccccc2)cc1Cl |c:7|
Clc1ccc(c(Cl)c1)S(=O)(=O)N1CCCCC(=N1)c1ccc(Cl)c(Cl)c1 |c:17|
Clc1ccc(cc1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Clc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Clc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccc(Cl)cc1 |c:14|
Clc1ccc(cc1)C(=O)N1CCCC(=N1)c1ccccc1 |c:14|
Clc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Br)cc1 |t:8|
Clc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Cl)c(Cl)c1 |t:8|
Clc1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1cccc(Cl)c1 |t:8|
Clc1ccc(cc1)N1C(=O)c2ccccc2C(CC=C)(CC=C)C1=O
Clc1ccc(cc1)N1C(=O)c2ccccc2C2(CCCC2)C1=O
Clc1ccc(cc1)N1C(=O)c2ccccc2C2(CCCCC2)C1=O
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1)S(=O)(=O)N1CC(C(=N1)c1ccc(Cl)c(Cl)c1)c1ccccc1 |c:14|
Clc1ccc(cc1)S(=O)(=O)N1N=C(CC1c1ccccc1)c1ccc(Cl)c(Cl)c1 |c:12|
Clc1ccc(cc1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1ccc(cc1Cl)C(=O)N1CC=CC(=N1)c1ccccc1 |c:13,15|
Clc1ccc(cc1Cl)C(=O)N1CCCC(=N1)c1ccc(Cl)c(Cl)c1 |c:15|
Clc1ccc(cc1Cl)C(=O)N1CCCC(=N1)c1ccccc1 |c:15|
Clc1ccc(cc1Cl)C(=S)N1CCCC(=N1)c1ccccc1 |c:15|
Clc1ccc(cc1Cl)C1=NN(CCCC1)S(=O)(=O)c1ccc(Br)s1 |t:9|
Clc1ccc(cc1Cl)S(=O)(=O)N1CCCC(=N1)c1ccccc1 |c:16|
Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1ccc(s1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Clc1ccc(s1)-c1ccc2oc(=O)ccc2c1
Clc1ccc(s1)S(=O)(=O)N1CCCCC(=N1)c1ccccc1Cl |c:15|
Clc1cccc(Cc2c([nH]c(=O)[nH]c2=O)N2CCC(CC2)c2ccccc2)c1
Clc1cccc(c1)-c1ccc2NC(=O)C3(CC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=O)C3(CCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=O)C3(CCCCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=O)Cc2c1
Clc1cccc(c1)-c1ccc2NC(=S)C3(CCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Clc1cccc(c1)-c1ccc2NC(=S)OC(Cc3ccccc3)(Cc3ccccc3)c2c1
Clc1cccc(c1)-c1ccc2[nH]c(=O)n(Cc3ccccc3)c2c1
Clc1cccc(c1)-c1ccc2[nH]c(=O)sc2c1
Clc1cccc(c1)-c1ccc2[nH]c(=S)n(Cc3ccccc3)c2c1
Clc1cccc(c1)-c1ccc2n(Cc3ccccc3)c(=O)[nH]c2c1
Clc1cccc(c1)-c1ccc2n(Cc3ccccc3)c(=S)[nH]c2c1
Clc1cccc(c1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Clc1cccc(c1)C(=O)N1CCCC(=N1)c1ccccc1 |c:14|
Clc1cccc(c1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(Br)cc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(Cc2ccccc2)cc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)-c1ccccc1
Clc1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C(=O)c1ccccc1
Clc1cccc(c1)S(=O)(=O)Nc1ccccc1
Clc1cccc(c1Cl)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1ccccc1-c1ccc2NC(=S)C3(CCCCC3)c2c1
Clc1ccccc1CN([C@H]1CCN(CC#N)C1)c1ccc(C#N)c(Cl)c1 |r|
Clc1ccccc1CN([C@H]1CCN(Cc2ccccn2)C1)c1ccc(C#N)c(Cl)c1 |r|
Clc1ccccc1S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
Clc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Clc1ccsc1-c1ccc2oc(=O)ccc2c1
Cn1c(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12 |r,c:19,t:15|
Cn1c(ccc1-c1cc2c(N(C3CCCC3)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(N(C3CCCCC3)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(N(CC#C)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(N(CC=C)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(N(CCc3ccccc3)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(N(Cc3ccccc3)C(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)cc1F)C#N
Cn1c(ccc1-c1cc2c(NC(=O)C22CCCC2)c(F)c1)C#N
Cn1c(ccc1-c1cc2c(NC(=O)C22CCCCC2)c(F)c1)C#N
Cn1c(ccc1-c1ccc(NS(=O)(=O)CC(F)(F)F)cc1)C#N
Cn1c(ccc1-c1ccc(NS(C)(=O)=O)c(c1)C#N)C#N
Cn1c(ccc1-c1ccc(NS(C)(=O)=O)cc1)C#N
Cn1c(ccc1-c1ccc(NS(C)(=O)=O)cc1F)C#N
Cn1c(ccc1-c1ccc(cc1)C(=O)C(C)(C)C)C#N
Cn1c(ccc1-c1ccc(cc1)C(=O)c1ccccc1)C#N
Cn1c(ccc1-c1ccc(cc1)C(=O)c1cccs1)C#N
Cn1c(ccc1-c1ccc(cc1)C(N=O)C(C)(C)C)C#N
Cn1c(ccc1-c1ccc(cc1)C(O)C(C)(C)C)C#N
Cn1c(ccc1-c1ccc(cc1)C(O)c1ccccc1)C#N
Cn1c(ccc1-c1ccc(cc1)C(O)c1cccs1)C#N
Cn1c(ccc1-c1ccc2C(=O)CC(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2C(=O)CCCc2c1)C#N
Cn1c(ccc1-c1ccc2C(=O)CCc2c1)C#N
Cn1c(ccc1-c1ccc2C(CC(C)(C)c2c1)N=O)C#N
Cn1c(ccc1-c1ccc2C(CCCc2c1)N=O)C#N
Cn1c(ccc1-c1ccc2C(CCc2c1)N=O)C#N
Cn1c(ccc1-c1ccc2C(O)CC(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2C(O)CCCc2c1)C#N
Cn1c(ccc1-c1ccc2C(O)CCc2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)C(C)(C)c2c1F)C#N
Cn1c(ccc1-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3cccs3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccc(Cl)c3)(c3cccc(Cl)c3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccccc3)(c3ccccc3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)Cc2c1)C#N
Cn1c(ccc1-c1ccc2NC(=O)OC(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2NC(=S)OC(C)(C)c2c1)C#N
Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
Cn1c(ccc1-c1ccc2c(CCCC2(C)O)c1)C#N
Cn1c(ccc1-c1ccc2c(CCCC2(O)c2ccccc2)c1)C#N
Cn1c(ccc1-c1ccc2c(c1)C(C)(C)CC2(C)O)C#N
Cn1c(ccc1-c1ccc2c(c1)C(C)(C)CC2(O)CC#C)C#N
Cn1c(ccc1-c1ccc2oc(=O)ccc2c1)C#N
Cn1c(cnc1C#N)-c1ccc2NC(=O)OC(C)(C)c2c1
Cn1c2c[c-](ccc2nc1=[OH+])-c1cccc(c1)[N+]([O-])=O
Cn1c2cc(ccc2[nH]c1=O)-c1cccc(Cl)c1
Cn1c2cc3N4CCCC4(C)CCc3cc2c(cc1=O)C(F)(F)F
Cn1c2cc3NC(C)(C)CCc3cc2c(cc1=O)C(F)(F)F
Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Cn1c2ccccc2c(=O)n(-c2ccccc2)c1=O
Cn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
Cn1cc(C(O)=O)c2ccc(cc12)N1CCC(CC1)OCc1c(onc1-c1c(Cl)cccc1Cl)C1CC1 |(2.14,2.41,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;1.42,-3.62,;3.45,-2.94,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.71,1.53,;-5.05,.76,;-6.38,1.53,;-6.38,3.07,;-5.05,3.84,;-3.72,3.07,;-7.72,3.84,;-7.72,5.38,;-9.05,6.15,;-10.44,5.51,;-11.47,6.65,;-10.71,7.99,;-9.2,7.67,;-8.05,8.7,;-6.56,8.33,;-6.21,7.15,;-5.5,9.45,;-5.93,10.93,;-7.43,11.29,;-8.49,10.18,;-9.69,10.46,;-10.75,4,;-10.37,2.59,;-11.85,3.04,)|
Cn1cc(cc1C#N)-c1ccc2NC(=O)OC(C)(C)c2c1
Cn1ccc(C#N)c1-c1ccc2NC(=O)OC(C)(C)c2c1
Cn1nc(C(=O)N(Cc2ccccc2)Cc2ccc(cc2)C(O)=O)c2COc3ccc(Cl)cc3-c12
Cn1ncc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
Cn1nnnc1CN(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1
FC(F)(F)C(=O)NC1CCCN2C1c1ccccc1Oc1ccc(Cl)cc21 |w:12.11,7.6|
FC(F)(F)C(=O)N[C@@H]1CCCN2[C@H]1c1ccccc1Oc1ccc(Cl)cc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Cc1ccc(Cl)cc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cc(Cl)c(Cl)cc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cc(Cl)ccc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(C=C)cc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)c(Cl)c21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cccc(C=C)c21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1cccc(Cl)c21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccccc21
FC(F)(F)C(=O)N[C@H]1CCCN2[C@@H]1c1ccccc1Sc1ccc(Cl)cc21
FC(F)(F)C(=S)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
FC(F)(F)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
FC(F)(F)CCN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
FC(F)(F)c1cc(=O)[nH]c2cc3NC4(CCCCC4)CCc3cc12
FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCCC(=N1)c1ccccc1 |c:18|
FC(F)(F)c1cccc(c1)-c1ccc2oc(=O)ccc2c1
FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Fc1c(F)c(F)c(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)c(F)c1F
Fc1cc(Cl)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1cc(F)cc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)c1
Fc1cc(F)cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1cc(F)cc(c1)-c1ccc2oc(=O)ccc2c1
Fc1cc(cc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2NC(=O)C3(CCCCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c2c1)C(F)(F)C(F)(F)F)C#N
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(-c3cccc(Cl)c3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(-c3ccccc3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=O)n(C3CCCCC3)c2c1)C#N
Fc1cc(cc(c1)-c1ccc2[nH]c(=S)n(C3CCC3)c2c1)C#N
Fc1cc(ccc1C#N)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
Fc1ccc(CC2CCCc3c(C=O)nn(c23)-c2ccc(F)cc2)cc1
Fc1ccc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)cc1
Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#Cc1ccccc1 |r|
Fc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(F)c1
Fc1ccc(cc1)-c1ccc2oc(=O)ccc2c1
Fc1ccc(cc1)-n1nc(C#N)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(C(=O)NCc2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(C2OCCO2)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(C=C)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(Cl)cc3)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(F)c(F)c3)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccc(cc3)-c3ccccc3)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3)c12
Fc1ccc(cc1)-n1nc(C=O)c2CCCC(Cc3ccccc3Cl)c12
Fc1ccc(cc1)-n1nc(CN=O)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(CNCc2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(COC(=O)c2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1nc(\C=N\c2ccccc2)c2CCCC(Cc3cccc4ccccc34)c12
Fc1ccc(cc1)-n1ncc2C[C@@]3(CCCC=C3c3ccccc3)C=Cc12 |r,c:17,27|
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C#N
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C#N
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C(F)(F)F
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C#N
Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C(F)(F)F
Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
Fc1ccc(cc1)C1=NN(CCC1)C(=O)c1ccc(Cl)c(Cl)c1 |t:8|
Fc1ccc(cc1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
Fc1ccc(cc1)N1N=C(CNNC(=O)c2ccccc2)C2CCCC(Cc3cccc4ccccc34)C12 |t:9|
Fc1ccc(cc1)N1N=C(CNNS(=O)(=O)c2ccccc2)C2CCCC(Cc3cccc4ccccc34)C12 |t:9|
Fc1ccc(cc1)N1NC(C=O)C2CCCC(Cc3ccc4ccccc4c3)C12
Fc1ccc(cc1-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
Fc1ccc(cc1Br)C(=O)N1CCCC(=N1)c1ccccc1 |c:15|
Fc1ccc(cc1C#N)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccccc3)(c3ccccc3)c2c1
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccco3)(c2c1)C(F)(F)C(F)(F)F
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1
Fc1ccc(cc1Cl)-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1
Fc1ccc(cc1Cl)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1ccc(cc1Cl)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1
Fc1ccc(cc1Cl)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1
Fc1ccc(cc1Cl)-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1
Fc1ccc(cc1F)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1ccc(cc1F)-c1ccc2[nH]c(=O)n(C3CCC3)c2c1
Fc1ccc(cc1F)-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1
Fc1ccc(cc1F)-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1
Fc1ccc(cc1F)C(=O)N1CCCC(=N1)c1ccccc1 |c:15|
Fc1ccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c2c1)NC(=O)C(F)(F)F
Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
Fc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Fc1cccc(c1)C1=NN(CCCC1)S(=O)(=O)c1ccc(Cl)cc1 |t:8|
Fc1cccc(c1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
Fc1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
Fc1ccccc1C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
Fc1ccccc1S(=O)(=O)N1CCCCC(=N1)c1ccc(cc1)C#N |c:16|
Fc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F
N#Cc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1 |TLB:18:15:11:9.13.8,13:8:11.12.14:16,THB:17:8:11:14.15.16,17:15:11:9.13.8,5:8:11:14.15.16,5:8:11.12.14:16,13:12:16:9.8.17|
NC(=N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21)C(F)(F)F |w:1.0|
NC(=O)CN1CC[C@@H](C1)N(Cc1ccccc1Cl)c1ccc(C#N)c(Cl)c1 |r|
NCC[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NC(Cc1c[nH]c2ccccc12)C(F)(F)F
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2[nH]c1=O |c:21|
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCN3CC(=CCC3=O)C(O)=O)cc2)c2ccc(O)cc2oc1=O |c:21|
Nc1ccc(cc1)-c1c(C(=O)c2ccc(OCCNS(O)(=O)=O)cc2)c2ccc(O)cc2oc1=O
Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N |TLB:4:7:10:13.15.14,15:14:10.9.8:12,THB:16:14:10:8.7.12,16:7:10:13.15.14,17:14:10:8.7.12,17:14:10.9.8:12,15:9:12:13.14.16|
O=C(N1CCCC(=N1)c1ccccc1)c1ccccc1 |c:6|
O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
O=C(Nc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)C#N)c1ccccc1 |TLB:6:9:12:15.17.16,17:16:12.11.10:14,THB:18:16:12:10.9.14,18:9:12:15.17.16,19:16:12:10.9.14,19:16:12.11.10:14,17:11:14:15.16.18|
O=C1COC2(CCCCC2)c2cc(ccc2N1)-c1ccc([nH]1)C#N
O=C1COc2ccc(cc2N1)C1=Nc2ccccc2SC1c1ccccc1 |t:13|
O=C1COc2ccc(cc2N1)C1=Nn2ccnc2SC1c1ccccc1 |t:13|
O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1 |t:13|
O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1c1ccccc1 |t:13|
O=C1COc2ccc(cc2N1)N1CCOC[C@H]1c1ccccc1 |r|
O=C1Cc2cc(ccc2N1)-c1ccc([nH]1)C#N
O=C1N(C(=O)C2(CCCC2)c2ccccc12)c1ccc(cc1)C#N
O=C1N(C(=O)C2(CCCCC2)c2ccccc12)c1ccc(cc1)C#N
O=C1Nc2ccc(cc2C11CCCC1)-c1cccc(c1)C#N
O=C1Nc2ccc(cc2C11CCCCC1)-c1ccc([nH]1)C#N
O=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
O=Cc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccccc1
O=S(=O)(Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1
O=S(=O)(N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc2ccccc2c1
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc(c1)C#N
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1CC#N
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1CC1CCCCC1
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc(cc1)C#N
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccc2ccccc2c1
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1Cc1ccccc1
O=c1ccc2cc(ccc2o1)-c1ccc([nH]1)C#N
O=c1ccc2cc(ccc2o1)-c1ccc(cc1)C#N
O=c1ccc2cc(ccc2o1)-c1ccc(s1)C#N
O=c1ccc2cc(ccc2o1)-c1cccc(c1)-c1cccnc1
O=c1ccc2cc(ccc2o1)-c1cccc(c1)C#N
O=c1ccc2cc(ccc2o1)-c1ccccc1
O=c1ccc2cc(ccc2o1)-c1ccco1
O=c1ccc2cc(ccc2o1)-c1cccs1
O=c1n(Cc2ccccc2)c2ccccc2c(=O)n1-c1ccccc1
OC(=O)CCN1CCC2(CC1)C(=O)Nc1cc(\C=C3/c4ccccc4COc4cc(F)ccc34)ccc21
OC(=O)CCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
OC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
OC(=O)c1cc(c2cc(ccc2n1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cncc2Cl)C2CC2)CC1)C(F)(F)F |c:20,(46.96,-23.25,;46.47,-24.71,;47.49,-25.87,;44.96,-25.01,;44.46,-26.48,;42.95,-26.78,;41.94,-25.62,;40.43,-25.91,;39.43,-24.74,;39.93,-23.29,;41.43,-22.99,;42.44,-24.16,;43.95,-23.86,;37.92,-25.03,;37.41,-26.48,;35.91,-26.76,;34.9,-25.6,;33.89,-24.44,;32.72,-25.45,;33.74,-26.62,;31.19,-25.35,;30.71,-23.88,;29.16,-23.89,;28.69,-25.36,;29.95,-26.26,;29.96,-27.8,;28.63,-28.57,;27.29,-27.8,;28.63,-30.11,;29.96,-30.88,;31.3,-30.11,;31.29,-28.56,;32.62,-27.79,;31.6,-22.64,;33.01,-22.01,;31.76,-21.1,;35.4,-24.15,;36.91,-23.86,;42.45,-28.23,;43.47,-29.39,;40.97,-27.83,;41.68,-29.57,)|
OC(=O)c1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:10|
OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:10|
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N |r,t:7|
OC(c1cc(F)c2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
OC(c1ccc2[nH]c(=O)c3c(F)cccc3c2c1)(C(F)(F)F)C(F)(F)F
OC(c1ccc2[nH]c(=O)c3cc(F)ccc3c2c1)(C(F)(F)F)C(F)(F)F
OC(c1ccc2[nH]c(=O)c3ccc(F)cc3c2c1)(C(F)(F)F)C(F)(F)F
OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
OCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
OCC[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
OCC[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
OCc1nn(c2C(Cc3cccc4ccccc34)CCCc12)-c1ccc(F)cc1
O[C@]1(CCCCC[C@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1)c1ccccc1 |r,c:16|
O[C@]1(CCCC[C@]11Cc2cnn(c2C=C1)-c1ccc(F)cc1)c1ccccc1 |r,c:15|
Oc1cc2oc(=O)ccc2cc1-c1ccccc1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
Oc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2C(=O)CCC2=O)cc1
Oc1ccc(cc1)-c1oc(=O)c2cc(O)ccc2c1C(=O)c1ccc(OCCN2Cc3ccccc3C=C2)cc1 |c:40|
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Oc1ccc-2c(NN(CC(=O)COCN3CCCCC3)c3c-2c(=O)oc2cc(O)ccc32)c1
Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|
Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:8|
Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
Oc1cccc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1
Oc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(o1)C#N
S=C1Nc2ccc(cc2C11CCCCC1)-c1ccc(s1)C#N
S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)-c1ccccc1
S=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
S=C1Nc2ccc(cc2C11CCCCC1)-c1coc(c1)C#N
S=C1Nc2ccc(cc2C11CCCCC1)-c1csc(c1)C#N
S=C1Nc2ccc(cc2C2(CCCCC2)O1)-c1cccc(c1)C#N
Sc1nc2ccc(cc2n1C1CCCC1)-n1ccnc1
[#6]-[#6]-1=[#6]C([#6])([#6])[#7]-c2ccc3-c4cc(F)ccc4-[#8]\[#6](=[#6]-4/[#16]-[#6]-[#6]-[#6]-[#16]-4)-c3c-12 |t:1|
[#6]-[#8]-c1ccccc1-c1ccc2-[#7]C([#6])([#6])[#6]=[#6](-[#6](-[#6])-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c2c1 |t:17|
[#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1
[#6]\[#6](-[#6])=[#6]\[#6]=[#6]-1/[#8]-c2ccc(F)cc2-c2ccc3-[#7]C([#6])([#6])[#6]=[#6](-[#6])-c3c-12 |t:23|
[Gd-5]1234567[N+]8(CC(Cc9ccc(cc9)NC(=S)NCCCCCCOCC([C@@H]9[C@]%10(CCC%11C(CCC%12=CC(CC[C@]%11%12C)=O)C%10CC9)C)=O)[N+]1(CC(O2)=O)CC[N+]3(CC(O4)=O)CC[N+]5(CC8)CC(O6)=O)CC(O7)=O |r,t:33|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CCC=C |r,t:5|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccc(F)cc1 |r,t:5|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1ccccc1 |r,t:5|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@H](O)c1ccc(F)cc1 |r,t:5|
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(O)=O |r|
[H][C@@]12C3CC3C3=CC(=O)CC[C@]3(C)C1CC[C@@]1(C)C2C2CC2[C@@]11CCC(=O)C1 |r,t:6|
[H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:17,23|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:35|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(CC)CC)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:37|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCN(C)CC1)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:40|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:43|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCOCC1)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:39|
[H][C@@]12CC[C@@](O)(C#CC(C)(C)CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:36|
[H][C@@]12CC[C@@](O)(C#CC(C)C)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|
[H][C@@]12CC[C@@](O)(C#CC(F)(F)F)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |c:14,20|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](OCc1ccc(Cl)cc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(OC)cc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:30|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)-n1cccc1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:31|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)CCOC)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](c1ccc(cc1)N1CCCC1)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CC3CC3)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:34|
[H][C@@]12CC[C@@](O)(C#CCC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:32|
[H][C@@]12CC[C@@](O)(C#CCOC)[C@@]1(C)C[C@H](c1ccc(cc1)N(C)C)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:33|
[H][C@@]12CC[C@@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |r,c:26|
[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
[H][C@@]12CC[C@](C)(C(=O)CC)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |r,c:15,21|
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)C[C@H](C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |c:26|
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
[H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
[H][C@]1(C)CN(N=C1c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 |c:5|
[H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
[H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O |r|
[O-][N+](=O)c1ccc(Cn2c(ccc2-c2ccc3oc(=O)ccc3c2)C#N)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccco2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C#N)c2ccsc2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)N2CCOCC2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Br)c2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(F)cc2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(c2)C#N)c2ccc(cc2)C(F)(F)F)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1
[O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)c2cccc(F)c2)cc1
[O-][N+](=O)c1ccc([nH]1)-c1ccc2NC(=O)C3(CCCCC3)c2c1
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCCC(=N1)c1ccc(Cl)c(Cl)c1 |c:16|
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCCC(=N1)c1ccc(Cl)cc1 |c:16|
[O-][N+](=O)c1ccc(cc1)C(=O)N1CCCC(=N1)c1ccc(F)cc1 |c:16|
[O-][N+](=O)c1ccc(cc1)C12CC3CC(CC(C3)(C1)c1ccc(cc1)C#N)C2 |TLB:6:9:12:16.14.15,18:15:12.13.26:10,THB:17:15:12:26.9.10,17:9:12:16.14.15,18:15:12:26.9.10,14:13:10:16.15.17,14:15:12.13.26:10|
[O-][N+](=O)c1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 |t:10|
[O-][N+](=O)c1cccc(c1)-[c-]1ccc2nc(=[OH+])n(Cc3ccccc3)c2c1
[O-][N+](=O)c1cccc(c1)-[c-]1ccc2nc(=[SH+])n(Cc3ccccc3)c2c1
[O-][N+](=O)c1cccc(c1)-c1cc[c-]2n(Cc3ccccc3)c(=[OH+])nc2c1
[O-][N+](=O)c1cccc(c1)-c1ccc2NC(=O)C3(CCCC3)c2c1
[O-][N+](=O)c1cccc(c1)-c1ccc2NC(=O)C3(CCCCC3)c2c1
[O-][N+](=O)c1cccc(c1)-c1ccc2NC(=O)Cc2c1
[O-][N+](=O)c1cccc(c1)-c1ccc2[n-]c(=[OH+])sc2c1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1