1520 SMILES Strings for Carboxylic ester hydrolase

Compound Name
SMILES String
CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
COc1cc2c(cc1OC)C(=O)[C@@H](C2)CC3CCN(CC3)Cc4ccccc4
c1ccc2c(c1)c(c3c(n2)CCCC3)N
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCNc4c5ccccc5nc6c4CCCC6
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCNc4c5ccccc5nc6c4CCCC6
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
CN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
C=CCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
OCCN(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
C(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCSc4c5ccccc5nc6c4CCCC6
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCSc1c2CCCCc2nc2ccccc12
C(CCCCc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
CC(=O)N(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
CN(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
CC(=O)N(CCCCSc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
O=C(CNc1c2CCCCc2nc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
O=C(CNc1c2CCCCc2nc2ccccc12)NCC1CCN(Cc2ccccc2)CC1
COc1ccc(cc1OC)C(=O)NCC(=O)NCCC1CCN(Cc2ccccc2)CC1
O=C(CNC1CCc2ccccc12)NCCC1CCN(Cc2ccccc2)CC1
O=C(CNC1c2ccccc2-c2[nH]c3ccccc3c12)NCCC1CCN(Cc2ccccc2)CC1
O=C(CCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
O=C(CCCCCCNc1c2CCCCc2nc2ccccc12)NCCc1c[nH]c2ccccc12
Clc1ccc2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Clc1cccc2nc3CCCCc3c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c12
Clc1cc(Cl)c2c(NCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
Clc1cc(Cl)c2c(NCCCCCCC(=O)NCCc3c[nH]c4ccccc34)c3CCCCc3nc2c1
COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4ccccc34)c2c1
COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c2c1
COc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4cccc(Cl)c34)c2c1
COc1ccc2[nH]cc(CCNC(=O)CCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c2c1
Oc1ccc2[nH]cc(CCNC(=O)CCCCCNc3c4CCCCc4nc4ccccc34)c2c1
CC(=O)NCCc1c[nH]c2c1cc(cc2)OC
NCCCCCCCNc1c2CCCCc2nc2ccccc12
NCCCCCCCCNc1c2CCCCc2nc2ccccc12
NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
CN(C)CCCCCCCNc1c2CCCCc2nc2ccccc12
CN(C)CCCCCCCCNc1c2CCCCc2nc2ccccc12
CN(C)CCCCCCCCCNc1c2CCCCc2nc2ccccc12
CN(C)CCCCCCCCCCNc1c2CCCCc2nc2ccccc12
CN(C)CCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
C(CCCNc1ccncc1)CCCNc1c2CCCCc2nc2ccccc12
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1ccncc1
C(CCCCNc1ccncc1)CCCCNc1c2CCCCc2nc2ccccc12
C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1ccncc1
C(CCCCCCNc1c2CCCCc2nc2ccccc12)CCCCCNc1ccncc1
C(CCCNc1ccnc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
c1ccc2c(c1)c(ccn2)NCCCCCCCCNc3c4ccccc4nc5c3CCCC5
C(CCCCNc1ccnc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
CCCCCCCNc1c2CCCCc2nc2ccccc12
Cc1cc(c2ccccc2n1)N
Cc1cc(NCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
Cc1cc(NCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
Cc1cc(NCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
Cc1cc(NCCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
CCCCCCCCCNc1cc(C)nc2ccccc12
c1ccc2c(c1)c(ccn2)N
C(CCCNc1ccnc2ccccc12)CCNc1ccnc2ccccc12
C(CCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
C(CCCCNc1ccnc2ccccc12)CCCNc1ccnc2ccccc12
C(CCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
C(CCCCCNc1ccnc2ccccc12)CCCCNc1ccnc2ccccc12
C(CCCCCCNc1ccnc2ccccc12)CCCCCNc1ccnc2ccccc12
CCCCCCCNc1ccnc2ccccc12
Nc1ccncc1
C(CCCNc1ccncc1)CCNc1ccncc1
C(CCCNc1ccncc1)CCCNc1ccncc1
C(CCCCNc1ccncc1)CCCNc1ccncc1
C(CCCCNc1ccncc1)CCCCNc1ccncc1
C(CCCCCNc1ccncc1)CCCCNc1ccncc1
C(CCCCCNc1ccncc1)CCCCCNc1ccncc1
C(CCCCCCNc1ccncc1)CCCCCNc1ccncc1
CCCCCCCCCCNc1ccncc1
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
C(CCCCCNc1c2CCCCc2nc2ccccc12)CCCCNc1c2CCCCc2nc2ccccc12
C(CCNc1c2CCCCc2nc2ccccc12)CCc1ccccc1
C(CCCc1ccccc1)CCNc1c2CCCCc2nc2ccccc12
C(CCCNc1c2CCCCc2nc2ccccc12)CCCc1ccccc1
C(CCCCc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCCc1ccccc1
C(CCCCCc1ccccc1)CCCCNc1c2CCCCc2nc2ccccc12
C(CNc1c2CCCCc2nc2ccccc12)Nc1c2CCCCc2nc2ccccc12
C(CNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
C(CCNc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
C(CCCNc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
Nc1c2CCCCc2nc2cc(Cl)cc(Cl)c12
Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4cc(Cl)cc(Cl)c34)c3CCCCc3nc2c1
Clc1cc(Cl)c2c(NCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
C(CCCSc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Clc1cc(Cl)c2c(SCCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Clc1cc(Cl)c2c(NCCCCCCCSc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
Clc1cc(Cl)c2c(SCCCCCCNc3c4CCCCc4nc4ccccc34)c3CCCCc3nc2c1
C(CCCSc1c2CCCCc2nc2ccccc12)CCNc1c2CCCCc2nc2ccccc12
C(CCSc1c2CCCCc2nc2ccccc12)CNc1c2CCCCc2nc2ccccc12
[H][C@@](C)(N(C)C)c1cccc(OC(=O)N(C)CC)c1
CN(C)C(=O)Oc1ccc2CCC(N)c2c1
CCN(C)C(=O)Oc1ccc2CC[C@@H](N)c2c1 |r|
COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
CNC1CCc2ccc(OC(=O)N(C)C)cc12
CN(C)C(=O)Oc1cccc2C(N)CCc12
CCN(C)C(=O)Oc1cccc2C(N)CCc12
CCN(C)C(=O)Oc1ccc2CCCC(N)c2c1
CN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
CCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
CCCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
CCCN(C)C(=O)Oc1ccc2CC[C@H](NCC#C)c2c1 |r|
CCCCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CN(C1CCCCC1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCCCN(C)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CCCCN(CC)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CN(Cc1ccccc1)C(=O)Oc1ccc2CCC(NCC#C)c2c1
CN(C(=O)Oc1ccc2CCC(NCC#C)c2c1)c1ccccc1
CCN(C)C(=O)Oc1ccc2CC[C@@H](N(C)CC#C)c2c1 |r|
CN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
CCN(C)C(=O)Oc1cccc2CCC(NCC#C)c12
CCN(C)C(=O)Oc1cccc2CCC(N(C)CC#C)c12
CCN(C)C(=O)Oc1cccc2C(CCc12)NCC#C
CC(NC1CCc2ccc(OC(=O)N(C)C)cc12)C#C
CN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
CCN(C)C(=O)Oc1ccc2CCC(Cc2c1)NCC#C
CCN(C)C(=O)Oc1cccc2C(CCc12)N(C)CC#C
CN(C)C(=O)Oc1cccc(CCNCC#C)c1
CCN(C)C(=O)Oc1cccc(CCNCC#C)c1
CCCN(C)C(=O)Oc1cccc(CCNCC#C)c1
CC(Cc1cccc(OC(=O)N(C)C)c1)NCC#C
CCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CCCCN(C)C(=O)Oc1cccc(CC(C)NCC#C)c1
CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
CCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
CCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
CCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
CC(Cc1cccc(OC(=O)N(C)C2CCCCC2)c1)N(C)CC#C
CC(NCCc1cccc(OC(=O)N(C)C)c1)C#C
CCN(C)C(=O)Oc1cccc(CCNC(C)C#C)c1
CC1=CC2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,TLB:17:18:4.5.11:2.1.13,THB:10:11:18:2.1.13|
C\C=C1/C2Cc3[nH]c(=O)ccc3C1(N)CC(C)=C2 |c:18,TLB:10:11:2:17.15.14,THB:1:2:4.5.11:17.15.14|
CN(CCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:30,56,TLB:35:36:38.39.45:50.48.47,13:14:16.17.23:28.26.25,44:45:36:50.48.47,22:23:14:28.26.25,THB:18:17:14:28.26.25,40:39:36:50.48.47,49:48:36:38.39.45,27:26:14:16.17.23|
CN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:33,59,TLB:38:39:41.42.48:53.51.50,25:26:17:31.29.28,47:48:39:53.51.50,16:17:19.20.26:31.29.28,THB:21:20:17:31.29.28,43:42:39:53.51.50,30:29:17:19.20.26,52:51:39:41.42.48|
CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:35,61,TLB:40:41:43.44.50:55.53.52,18:19:21.22.28:33.31.30,49:50:41:55.53.52,27:28:19:33.31.30,THB:32:31:19:21.22.28,45:44:41:55.53.52,54:53:41:43.44.50,23:22:19:33.31.30|
CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:34,61,TLB:40:41:43.44.50:55.53.52,17:18:20.21.27:32.30.29,49:50:41:55.53.52,26:27:18:32.30.29,THB:31:30:18:20.21.27,45:44:41:55.53.52,54:53:41:43.44.50,22:21:18:32.30.29|
CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:36,63,TLB:42:43:45.46.52:57.55.54,51:52:43:57.55.54,28:29:20:34.32.31,19:20:22.23.29:34.32.31,THB:33:32:20:22.23.29,47:46:43:57.55.54,24:23:20:34.32.31,56:55:43:45.46.52|
CN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:38,65,TLB:44:45:47.48.54:59.57.56,53:54:45:59.57.56,30:31:22:36.34.33,21:22:24.25.31:36.34.33,THB:35:34:22:24.25.31,49:48:45:59.57.56,26:25:22:36.34.33,58:57:45:47.48.54|
CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2C3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |r,c:40,67,TLB:46:47:49.50.56:61.59.58,55:56:47:61.59.58,23:24:26.27.33:38.36.35,32:33:24:38.36.35,THB:28:27:24:38.36.35,37:36:24:26.27.33,51:50:47:61.59.58,60:59:47:49.50.56|
Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1Cl
O=C(CCc1ccc(OCc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(COc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1cccs1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccsc1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1cccc2ccccc12)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccc2ccccc2c1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1ccccn1)c1ncc(o1)-c1ccccn1
O=C(CCCCCCc1cccnc1)c1ncc(o1)-c1ccccn1
Cc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Cc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Cc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
COc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
COc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
COc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Nc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
Fc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Fc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Fc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CSc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
CSc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
CSc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
[O-][N+](=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
FC(F)(F)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
FC(F)(F)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
FC(F)(F)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
COC(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
COC(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
COC(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
Clc1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
Clc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
Clc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CS(=O)(=O)c1ccccc1CCCCCCC(=O)c1ncc(o1)-c1ccccn1
CS(=O)(=O)c1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
CS(=O)(=O)c1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CCCCCCc1ccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)cc1
CCCCCCc1cccc(CCCCCCC(=O)c2ncc(o2)-c2ccccn2)c1
O=C(CCc1cccc(OCc2ccccc2)c1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Oc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Nc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Cc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(Sc2ccccc2)cc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(cc1)-c1ccccc1)c1ncc(o1)-c1ccccn1
O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
O=C(COCCCCc1ccccc1)c1ncc(o1)-c1ccccn1
CN(CC#C)Cc1ccc(OC(=O)N(C)C)c2ncccc12
CCN(C)C(=O)Oc1ccc(CN(C)CC#C)c2cccnc12
CCCC(=O)NC1C[N+]2(Cc3ccccc3)CCC1CC2 |THB:5:6:17.16:20.19,(6.97,1.87,;5.64,1.1,;4.3,1.87,;2.97,1.1,;2.97,-.44,;1.64,1.87,;.3,1.1,;.3,-.44,;-1.03,.33,;-1.03,-1.21,;.3,-1.98,;.3,-3.52,;1.64,-4.29,;2.97,-3.52,;2.97,-1.98,;1.64,-1.21,;-2.37,-.44,;-2.37,1.1,;-1.03,1.87,;-1.03,3,;-1.8,1.66,)|
O=C(NC1C[N+]2(Cc3ccccc3)CCC1CC2)c1ccccc1 |THB:2:3:14.13:17.16,(2.97,-.44,;2.97,1.1,;1.64,1.87,;.3,1.1,;.3,-.44,;-1.03,.33,;-1.03,-1.21,;.3,-1.98,;.3,-3.52,;1.64,-4.29,;2.97,-3.52,;2.97,-1.98,;1.64,-1.21,;-2.37,-.44,;-2.37,1.1,;-1.03,1.87,;-1.03,3,;-1.8,1.66,;4.3,1.87,;4.3,3.41,;5.64,4.18,;6.97,3.41,;6.97,1.87,;5.64,1.1,)|
Oc1ccccc1\C=C\C(=O)c1ccccc1
Oc1cccc(\C=C\C(=O)c2ccccc2)c1
c1ccc(cc1)C(=O)/C=C/c2ccc(cc2)O
COc1ccc(\C=C\C(=O)c2ccccc2)cc1
COc1ccc(\C=C\C(=O)c2ccccc2)cc1OC
O=C(\C=C\c1ccccc1)c1ccccc1
Cn1c2ccccc2c2OC(C)(C)[C@@H](O)Cc2c1=O |r|
Cn1c2OC(C)(C)[C@H](O)Cc2c(=O)c2ccccc12 |r|
COC(C)(C)[C@H]1Cc2c(O1)n(C)c1ccccc1c2=O |r|
COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:12|
O=C1C(Nc2ccccc12)=C(C#N)c1c[nH]c2ccccc12 |w:2.1|
OCC1OC(SC(CC(OC(=O)CC2C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O |w:25.27|
OCC1OC(SC(CC(OC(=O)CC2(O)C(=O)Nc3ccccc23)C=C)=NOS(O)(=O)=O)C(O)C(O)C1O |w:26.28|
OCC1OC(SC(Cc2cc3ccccc3n2S(O)(=O)=O)=NOS(O)(=O)=O)C(O)C(O)C1O |w:21.23|
OC1C(COC(=O)CC(O)=O)OC(Oc2c[nH]c3ccccc23)C(O)C1=O
OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(=O)C1O
COc1ccc2CN(C)CC3=C[C@H](O)C[C@@H]4Oc1c2[C@@H]34 |r,t:10|
NNc1ccc(cn1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
NNc1ccc(cn1)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12
NNc1ccc(cn1)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12
NNc1ccc(cc1)C(=O)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(F)c1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(c1)C(F)(F)F
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1
CCOP(=O)(OCC)Oc1ccc(Br)cc1C(=O)Nc1ccc(F)cc1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Cl)c1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(F)c1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(Br)c1
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1cccc(c1)C(F)(F)F
CCOP(=O)(OCC)Oc1ccc(Cl)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Cl)c1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(Br)c1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(F)c1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Br)cc1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)cc1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c(Cl)c1
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1cccc(c1)C(F)(F)F
CCOP(=O)(OCC)Oc1cc(Cl)ccc1C(=O)Nc1ccc(cc1)C(F)(F)F
COc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
O=C(Nc1nc(cs1)-c1cc2ccccc2oc1=O)Nc1ccccc1
[O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Fc1ccccc1NC(=O)Nc1nc(cs1)-c1cc2ccccc2oc1=O
Fc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Fc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Clc1cccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Clc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Brc1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
Ic1ccc(NC(=O)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)c1
COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(C)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(c4)[N+]([O-])=O)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccccc4F)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(F)c4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(F)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4cccc(Cl)c4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Cl)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(Br)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(I)cc4)n3)c(=O)oc12
COc1cccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)c1
COc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
Cc1ccc(NC(=O)Nc2nc(cs2)-c2cc3cc(ccc3oc2=O)[N+]([O-])=O)cc1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccccc2)n1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(F)cc2)n1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Cl)cc2)n1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(Br)cc2)n1
[O-][N+](=O)c1ccc2oc(=O)c(cc2c1)-c1csc(NC(=O)Nc2ccc(I)cc2)n1
Fc1cccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)c1
Clc1ccc(NC(=S)Nc2nc(cs2)-c2cc3ccccc3oc2=O)cc1
COc1ccc(NC(=S)Nc2nc(cs2)-c2cc3cccc(OC)c3oc2=O)cc1
COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(C)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=S)Nc4ccccc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=S)Nc4cccc(F)c4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(F)cc4)n3)c(=O)oc12
COc1cccc2cc(-c3csc(NC(=S)Nc4ccc(Cl)cc4)n3)c(=O)oc12
O=c1nc2[nH]c3ccccc3nc2c(=O)[nH]1
CCCn1c2ccccc2nc2c1nc(=O)[nH]c2=O
CCCCn1c2ccccc2nc2c1nc(=O)[nH]c2=O
C=CCn1c2ccccc2nc2c1nc(=O)[nH]c2=O
O=c1nc2n(Cc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Cc1cccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)c1
Cc1ccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1
Fc1ccccc1Cn1c2ccccc2nc2c1nc(=O)[nH]c2=O
Fc1cccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)c1
Clc1cccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)c1
Clc1ccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1
COc1ccccc1Cn1c2ccccc2nc2c1nc(=O)[nH]c2=O
COc1ccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1
COc1cccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)c1OC
COc1ccc(Cn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1OC
O=c1nc2n(CCc3ccccc3)c3ccccc3nc2c(=O)[nH]1
Clc1ccc(CCn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1
COc1ccc(CCn2c3ccccc3nc3c2nc(=O)[nH]c3=O)cc1OC
CN(CC#C)Cc1cc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCCN3CCN(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCC3CCN(Cc4ccccc4)CC3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
ClCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
ClCCCCC1CCN(Cc2ccccc2)CC1.CN(CC#C)Cc1cc2cc(OCCCCC3CCN(Cc4ccccc4)CC3)ccc2n1C
c1ccc(cc1)-c1cnc2cccnc2n1
Cc1ccc(cc1)-c1cnc2cccnc2n1
Cc1cccc(c1)-c1cnc2cccnc2n1
Cc1ccccc1-c1cnc2cccnc2n1
Fc1ccc(cc1)-c1cnc2cccnc2n1
Fc1cccc(c1)-c1cnc2cccnc2n1
Clc1ccc(cc1)-c1cnc2cccnc2n1
Clc1cccc(c1)-c1cnc2cccnc2n1
Clc1ccccc1-c1cnc2cccnc2n1
Brc1cccc(c1)-c1cnc2cccnc2n1
Brc1ccccc1-c1cnc2cccnc2n1
Ic1ccc(cc1)-c1cnc2cccnc2n1
[O-][N+](=O)c1ccc(cc1)-c1cnc2cccnc2n1
[O-][N+](=O)c1cccc(c1)-c1cnc2cccnc2n1
[O-][N+](=O)c1ccccc1-c1cnc2cccnc2n1
C1CCN(CC1)c1ccc(cc1)-c1cnc2cccnc2n1
C1CCc2nc3ncccc3nc2C1
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
CN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
CC(C)N(C(C)C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCC2)cc1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCOCC2)cc1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCCCC2)cc1
Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(OC(=O)N2CCC(Cc3ccccc3)CC2)cc1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)cc2o1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(OC(C)=O)c(OC(C)=O)cc2o1
Brc1ccccc1Cn1cc(COC(=O)COc2cc(=O)oc3ccccc23)nn1
Brc1cccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)c1
Brc1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
COc1cccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)c1
COc1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
Cc1ccccc1Cn1cc(COC(=O)COc2cc(=O)oc3ccccc23)nn1
Cc1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
Fc1ccccc1Cn1cc(COC(=O)COc2cc(=O)oc3ccccc23)nn1
Fc1cccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)c1
Fc1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
Clc1ccccc1Cn1cc(COC(=O)COc2cc(=O)oc3ccccc23)nn1
Clc1cccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)c1
Clc1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
[O-][N+](=O)c1ccccc1Cn1cc(COC(=O)COc2cc(=O)oc3ccccc23)nn1
[O-][N+](=O)c1ccc(Cn2cc(COC(=O)COc3cc(=O)oc4ccccc34)nn2)cc1
O=C(COc1cc(=O)oc2ccccc12)OCc1cn(Cc2ccccc2)nn1
Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
Brc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4ccccc34)nn2)n1
COc1cccc2c1n(Cc1cn(Cc3nc(no3)-c3ccc(C)cc3)nn1)c1ccccc1c2=O
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(OC)c34)nn2)n1
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cccc(Cl)c34)nn2)n1
Cc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(C)cc4)nn3)c3ccccc3c(=O)c2c1
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(OC)ccc34)nn2)n1
COc1ccc2n(Cc3cn(Cc4nc(no4)-c4ccc(Cl)cc4)nn3)c3ccccc3c(=O)c2c1
Cc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Cl)ccc34)nn2)n1
COc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Clc1ccc(cc1)-c1noc(Cn2cc(Cn3c4ccccc4c(=O)c4cc(Br)ccc34)nn2)n1
Cc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
COc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
Fc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1Cl
Clc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
Fc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1Cl
Clc1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c(Cl)c1
Clc1ccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1
[O-][N+](=O)c1ccccc1NC(=S)NC(=O)c1cc2ccccc2oc1=O
COc1cccc(NC(=S)NC(=O)c2cc3ccccc3oc2=O)c1
O=C(NC(=S)NC1CCCCC1)c1cc2ccccc2oc1=O
[#6]C1([#6]-[#6](=[#6](C#N)\[#6](-[#7]1)=[#6](/C#N)C#N)-c1ccccc1)c1ccccc1 |t:3|
[#6]-c1ccc(cc1)-[#6]-1=[#6](C#N)\[#6](-[#7]C([#6])([#6]-1)c1ccc(-[#6])cc1)=[#6](/C#N)C#N |c:8|
[#6]-c1cccc(c1)-[#6]-1=[#6](C#N)\[#6](-[#7]C([#6])([#6]-1)c1cccc(-[#6])c1)=[#6](/C#N)C#N |c:8|
[#6]C1([#6]-[#6](=[#6](C#N)\[#6](-[#7]1)=[#6](/C#N)C#N)-c1ccc(F)cc1)c1ccc(F)cc1 |t:3|
[#6]C1([#6]-[#6](=[#6](C#N)\[#6](-[#7]1)=[#6](/C#N)C#N)-c1ccc(I)cc1)c1ccc(I)cc1 |t:3|
[#6]C1([#6]-[#6](=[#6](C#N)\[#6](-[#7]1)=[#6](/C#N)C#N)-c1cccc(F)c1)c1cccc(F)c1 |t:3|
[#6]-[#8]-c1cccc(c1)-[#6]-1=[#6](C#N)\[#6](-[#7]C([#6])([#6]-1)c1cccc(-[#8]-[#6])c1)=[#6](/C#N)C#N |c:9|
[#6]C1([#6]-[#6](=[#6](C#N)\[#6](-[#7]1)=[#6](/C#N)C#N)-c1ccc(-[#8])cc1)c1ccc(-[#8])cc1 |t:3|
CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccccc1)c1ccccc1 |w:7.6,t:3|
Cc1ccc(cc1)C1=C(C#N)C(NC(C)(C1)c1ccc(C)cc1)=C(C#N)c1nnn[nH]1 |w:11.11,c:8|
Cc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(C)c1)=C(C#N)c1nnn[nH]1 |w:11.11,c:8|
CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(F)cc1)c1ccc(F)cc1 |w:7.6,t:3|
CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1cccc(Cl)c1)c1cccc(Cl)c1 |w:7.6,t:3|
COc1cccc(c1)C1=C(C#N)C(NC(C)(C1)c1cccc(OC)c1)=C(C#N)c1nnn[nH]1 |w:12.12,c:9|
COc1ccccc1C1=C(C#N)C(NC(C)(C1)c1ccccc1OC)=C(C#N)c1nnn[nH]1 |w:12.12,c:9|
CC1(CC(=C(C#N)C(N1)=C(C#N)c1nnn[nH]1)c1ccc(O)cc1)c1ccc(O)cc1 |w:7.6,t:3|
OC1CNC(=O)c2ccccc12
Cc1ccc2C(O)CNC(=O)c2c1
Cc1ccc2C(=O)NCC(O)c2c1
OC1CNC(=O)c2ccc(Cl)cc12
COc1ccc2C(O)CNC(=O)c2c1
COC1CNC(=O)c2ccccc12
OC1CCNC(=O)c2ccccc12
Cc1ccc2C(O)CCNC(=O)c2c1
Cc1ccc2c(c1)C(O)CCNC2=O
COc1ccc2C(O)CCNC(=O)c2c1
OC1CNC(=O)c2cccnc12
Cc1ccc2C(=O)NCC(O)c2n1
OC1CCNC(=O)c2cccnc12
Cc1ccc2c(n1)C(O)CCNC2=O
OC1CNC(=O)c2sccc12
OC1CCNC(=O)c2sccc12
O=c1ccc2ccc(Oc3ccc(Nc4c5CCCc5nc5ccccc45)cc3)cc2o1
Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCc3nc2c1
Clc1ccc2nc3CCCc3c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c2c1
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5ccccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5cc(Cl)ccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCc5nc5ccc(Cl)cc45)cc3)ccc12
O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)cc2o1
Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCc3nc2c1
Clc1ccc2nc3CCCCc3c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c2c1
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5cc(Cl)ccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccc(Cl)cc45)cc3)ccc12
O=c1ccc2ccc(Oc3ccc(Nc4c5CCCCCc5nc5ccccc45)cc3)cc2o1
Clc1ccc2c(Nc3ccc(Oc4ccc5ccc(=O)oc5c4)cc3)c3CCCCCc3nc2c1
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5cc(Cl)ccc45)cc3)ccc12
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCCc5nc5ccc(Cl)cc45)cc3)ccc12
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
CC(=O)C1=C(C)NC(Sc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
CC(=O)C1=C(C)NC(Nc2cc(Cl)ccc2CC(N)=O)=NC1c1ccc(Br)cc1 |c:3,20|
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccccc1 |c:3,19|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(Cl)cc2)=NC1c1ccccc1 |c:3,20|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccccc2)=NC1c1ccc(Br)cc1 |c:3,19|
CC(=O)C1=C(C)NC(Nc2ccccc2CC(N)=O)=NC1c1ccc(OCc2ccccc2)cc1 |c:3,19|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Br)cc1 |c:3,20|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(Cl)cc1 |c:3,20|
CC(=O)C1=C(C)NC(NCC(=O)Nc2ccc(C)cc2)=NC1c1ccc(C)cc1 |c:3,20|
C=CCN1CCC(N2CCCC2=O)c2ccccc12
Cc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
COc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
Clc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
CCc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
Fc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
Brc1ccc2N(CC=C)CCC(N3CCCC3=O)c2c1
O=C1CCCN1C1CCN(CC#C)c2ccccc12
Cc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
COc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
Clc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
CCc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
Fc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
Brc1ccc2N(CC#C)CCC(N3CCCC3=O)c2c1
COc1cccc(\C=C2/CCc3ccccc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CC(C)c3ccccc3C2=O)c1Cl
COc1ccc(\C=C2/CC(C)c3ccccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CC(C)c3ccccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3c(O)cccc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3c(O)cccc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3c(O)cccc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(Cl)cc3C2=O)c(Br)c(OC)c1OC
COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(OC)c1Cl
COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(OC)c(OC)c1Cl
COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3c(OC)cccc3C2=O)c1Cl
COc1cccc2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
COc1cccc2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3cc(OC)c(OC)cc3C2=O)c1Cl
COc1cc2CC\C(=C/c3ccc(OC)c(OC)c3Cl)C(=O)c2cc1OC
COc1cc2CC\C(=C/c3cc(OC)c(OC)c(OC)c3Br)C(=O)c2cc1OC
COc1cccc(\C=C2/CCc3c(OC)ccc(OC)c3C2=O)c1Cl
COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1ccc(OC)c(OC)c1Cl
COc1ccc(OC)c2C(=O)\C(CCc12)=C\c1cc(OC)c(OC)c(OC)c1Br
COc1cccc(\C=C2/CCc3ccc(Br)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(Br)cc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(F)cc3C2=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(F)cc3C2=O)c(Br)c(OC)c1OC
COc1cccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c1Cl
COc1ccc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Cl)c1OC
COc1cc(\C=C2/CCc3ccc(cc3C2=O)[N+]([O-])=O)c(Br)c(OC)c1OC
Brc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Brc1ccc(Cn2cc(CNC(=O)c3cc4ccccc4oc3=O)nn2)cc1
O=C(NCc1cnnn1Cc1ccccc1)c1cc2ccccc2oc1=O
Cc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Cc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Fc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Fc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1
Clc1ccccc1Cn1nncc1CNC(=O)c1cc2ccccc2oc1=O
Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1
Clc1cccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)c1Cl
Clc1ccc(Cn2nncc2CNC(=O)c2cc3ccccc3oc2=O)cc1Cl
COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4C)nn3)c(=O)oc12
COc1cccc2cc(C(=O)NCc3cn(Cc4ccccc4Cl)nn3)c(=O)oc12
COc1cccc2cc(C(=O)NCc3cn(Cc4cccc(Cl)c4Cl)nn3)c(=O)oc12
COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12
CC1(C)NC(=O)c2ccccc2N1
CC1(NC(=O)c2ccccc2N1)c1ccccc1
CCC1(C)NC(=O)c2ccccc2N1
CCC1(CC)NC(=O)c2ccccc2N1
CCCC1(C)NC(=O)c2ccccc2N1
CC1(NC(=O)c2ccccc2N1)c1ccc(Cl)cc1
CC(C)CC1(C)NC(=O)c2ccccc2N1
CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1
CC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CC1(NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O)c1cccc(c1)[N+]([O-])=O
CCC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CCC1(CC)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CCCC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
Cc1ccc(cc1)C1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CC(C)CC1(C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CC(C)CC1(CC(C)C)NC(=O)c2cc(cc(c2N1)[N+]([O-])=O)[N+]([O-])=O
CC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccccc1
CCC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
CCC1(CC)NC(=O)c2cc(Br)cc(Br)c2N1
CCCC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
CC1(NC(=O)c2cc(Br)cc(Br)c2N1)c1ccc(Cl)c(Br)c1
CC(C)CC1(C)NC(=O)c2cc(Br)cc(Br)c2N1
CC(C)CC1(CC(C)C)NC(=O)c2cc(Br)cc(Br)c2N1
CC(=O)NC(Cc1ccccc1F)C(O)=O
CC(=O)NC(Cc1cccc(F)c1)C(O)=O
CC(=O)NC(Cc1ccc(F)cc1)C(O)=O
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(C)cc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(C)cc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccc(cc1)C(F)(F)F
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccc(cc1)C(F)(F)F
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccc(cc1)C(F)(F)F
CC(=O)NC(Cc1ccccc1F)C(=O)Nc1ccccc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Nc1ccccc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Nc1ccccc1
CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(Cl)cc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(Cl)cc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccc(Cl)cc1
CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(C)cc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(C)cc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccc(C)cc1
CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O
CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccc(cc1)C(F)(F)F
CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccc(cc1)C(F)(F)F
CC(=O)NC(Cc1ccccc1F)C(=O)Oc1ccccc1
CC(=O)NC(Cc1cccc(F)c1)C(=O)Oc1ccccc1
CC(=O)NC(Cc1ccc(F)cc1)C(=O)Oc1ccccc1
C(N1CCCCC1)c1ccc(cc1)-c1nc2ccccc2o1
C(C1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
C(N1CCOCC1)c1ccc(cc1)-c1nc2ccccc2o1
C(N1CCSCC1)c1ccc(cc1)-c1nc2ccccc2o1
C(N1CCNCC1)c1ccc(cc1)-c1nc2ccccc2o1
CN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
CCN1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1
C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-c1nc2ccccc2o1
C(N1CCN(Cc2ccc(cc2)-c2nc3ccccc3o2)CC1)c1ccccc1
C(N1CCCC1)c1ccc(cc1)-c1nc2ccccc2o1
C(NCc1ccc(cc1)-c1nc2ccccc2o1)c1ccccc1
CN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
CCN(Cc1ccccc1)Cc1ccc(cc1)-c1nc2ccccc2o1
C(NC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)-c1nc2ccccc2o1
CN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1
CCN1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1
C1CN(CCN1c1ccccc1)c1ccc(cc1)-c1nc2ccccc2[nH]1
C(N1CCN(CC1)c1ccc(cc1)-c1nc2ccccc2[nH]1)c1ccccc1
COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(C)CC1
CCN1CCN(CC1)c1ccc(cc1)-c1nc2cc(OC)ccc2[nH]1
COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(CC1)c1ccccc1
COc1ccc2[nH]c(nc2c1)-c1ccc(cc1)N1CCN(Cc2ccccc2)CC1
CCN1c2ccccc2C(=O)NC1(C)C
CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCN1c2ccccc2C(=O)NC1(C)c1ccccc1
CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccccc1
CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccccc1
CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccccc1
CCN1c2ccccc2C(=O)NC1(C)CC
CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
CCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCN1c2ccccc2C(=O)NC1(CC)CC
CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1
CCC1(CC)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CCC1(CC)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCCC1(C)NC(=O)c2ccccc2N1CC
CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
CCCC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CCCC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCN1c2ccccc2C(=O)NC1(C)c1ccc(Cl)cc1
CC1(NC(=O)c2ccccc2N1Cc1ccccc1)c1ccc(Cl)cc1
CC1(NC(=O)c2ccccc2N1Cc1ccccc1Cl)c1ccc(Cl)cc1
CC1(NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1
CCN1c2ccccc2C(=O)NC1(C)CC(C)C
CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1
CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CC(C)CC1(C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCN1c2ccccc2C(=O)NC1(CC(C)C)CC(C)C
CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1
CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccccc1Cl
CC(C)CC1(CC(C)C)NC(=O)c2ccccc2N1Cc1ccc(Cl)cc1
CCOP(=O)(OCC)OC(CCC#N)c1ccccc1
COP(=O)(OC)OC(CCC#N)c1ccccc1
CCOP(=O)(OCC)OC(CCC#N)c1ccc(C)cc1
COP(=O)(OC)OC(CCC#N)c1ccc(C)cc1
CCOP(=O)(OCC)OC(CCC#N)c1ccc(OC)cc1
COc1ccc(cc1)C(CCC#N)OP(=O)(OC)OC
CCOP(=O)(OCC)OC(C(C)CC#N)c1ccccc1
COP(=O)(OC)OC(C(C)CC#N)c1ccccc1
Fc1ccccc1C(=O)NCCNc1c2CCCCc2nc2ccccc12
Fc1ccccc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Fc1ccccc1C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
Fc1cccc(c1)C(=O)NCCNc1c2CCCCc2nc2ccccc12
Fc1cccc(c1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12
Fc1cccc(c1)C(=O)NCCCCNc1c2CCCCc2nc2ccccc12
CCCCNC(=O)OC1CC2CCC1C2 |THB:7:8:11.12:14|
CCCCNC(=O)OC1CC2CCC1C2 |THB:7:8:12.11:14|
CCNC(=O)OC1CC2CCC1C2 |THB:5:6:9.10:12|
CCCCNC(=O)OC1CC2CCC1C2 |TLB:7:8:11.12:14|
CCCCNC(=O)OC1CC2CCC1C2 |TLB:7:8:12.11:14|
Oc1ccc(CC2=C(Cc3ccc(O)cc3)C(=O)C(C2=O)(c2ccc(O)cc2)C2(C(=O)C(Cc3ccc(O)cc3)=C(Cc3ccc(O)cc3)C2=O)c2ccc(O)cc2)cc1 |c:6,t:43|
O=c1[nH]c(nc2ccccc12)-c1cc2ccccc2[nH]1
CCN(CC)CC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
CN1CCN(CC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
CCN(CC)CCC(=O)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CCN1CCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CCN1CCCCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
O=C(CCN1CCOCC1)Nc1ccc2nc([nH]c(=O)c2c1)-c1cc2ccccc2[nH]1
CN1CCN(CCC(=O)Nc2ccc3nc([nH]c(=O)c3c2)-c2cc3ccccc3[nH]2)CC1
CN(C)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
CCN(CC)CCCNc1nc(nc2ccccc12)-c1cc2ccccc2[nH]1
CCCc1nnc(s1)-c1ccc(O)cc1O
CCCCCCCc1nnc(s1)-c1ccc(O)cc1O
Oc1ccc(-c2nnc(s2)-c2ccc3ccccc3c2)c(O)c1
Oc1ccc(-c2nnc(s2)-c2ccc3OCOc3c2)c(O)c1
Oc1ccc(-c2nnc(Cc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Oc1ccc(-c2nnc(CCc3nnc(s3)-c3ccc(O)cc3O)s2)c(O)c1
Oc1ccc(-c2nnc(s2)-c2ccc(cc2)-c2nnc(s2)-c2ccc(O)cc2O)c(O)c1
Oc1ccc(-c2nnc(Nc3ccc(cc3)C(F)(F)F)s2)c(O)c1
Oc1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)s2)c(O)c1
Oc1ccc(-c2nnc(s2)-c2cc(on2)-c2ccc(Br)cc2)c(O)c1
Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(F)cc2)c(O)c1
Oc1ccc(-c2nnc(s2)-c2ccc(s2)-c2ccc(Br)cc2)c(O)c1
Oc1cc(O)c(cc1Cl)-c1nnc(Cc2ccccc2)s1
Oc1cc(O)c(cc1Cl)-c1nnc(Nc2ccc(F)cc2)s1
Oc1cc(O)c(cc1Cl)-c1nnc(Nc2cccc(Cl)c2)s1
Oc1ccc(cc1O)-c1nnc(s1)-c1cc(Cl)c(O)cc1O
CN(C)c1ccc(cc1)-c1nnc(s1)-c1c(O)cc(O)c(-c2cc(O)cc(O)c2)c1O
CN1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
CCN1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)C2CCCCC2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(C)cc2)cc1
COc1ccc(cc1)N1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2cccc(C)c2)cc1
COc1cccc(c1)N1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccccc2C)cc1
COc1ccccc1N1CCN(CC(=O)Nc2ccc(cc2)-c2csc(C)n2)CC1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)c2ccccn2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
Cc1nc(cs1)-c1ccc(NC(=O)CN2CCN(CC2)C(=O)c2ccco2)cc1
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
O=C(Nc1ccc2C(=O)N(CCC3CCN(Cc4ccccc4)CC3)C(=O)c2c1)c1ccccc1
CN(CCC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(cc1)S(=O)(=O)Cc1ccccc1
COc1ccccc1CN(C)CCCCCCN1C(=O)c2ccccc2C1=O
CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
COc1ccccc1CN(C)CCN1C(=O)c2ccccc2C1=O
CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
COc1ccccc1CN(C)CCCN1C(=O)c2ccccc2C1=O
O=C1N(CCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
CC(C)N1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1
CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
COc1ccccc1CN(C)CCCCN1C(=O)c2ccccc2C1=O
O=C1N(CCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
CC(C)N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
O=C1N(CCCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
COc1ccccc1CN(CCCCCN1C(=O)c2ccccc2C1=O)CC#C
CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
O=C1N(CCCCCCN(CC#C)Cc2ccccc2)C(=O)c2ccccc12
CC(C)N1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1
CC(C)N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
CN(CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CN(CCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
COc1ccccc1CN(CCCCN1C(=O)c2ccccc2C1=O)CC#C
CN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1
CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC
COc1ccccc1CN(CCCN1C(=O)c2ccccc2C1=O)CC#C
COc1ccccc1CN(CCCCCCN1C(=O)c2ccccc2C1=O)CC#C
COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c12
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc4nc5CCCCc5c(N)c34)c2c1
C/C=C/1\[C@@H]2CC3=C([C@]1(CC(=C2)C)N)C=CC(=O)N3
Nc1c2CCCCc2nc2c(cccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2ccc(cc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2c(cccc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2ccc(cc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cccc(N3CCN(CCCC(=O)c4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
CC(=O)Nc1c2CCCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cc(ccc12)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCCc2nc2cc(ccc12)N1CCN(CCCC(=O)c2c[nH]c3ccc(cc23)C#N)CC1
Nc1c2CCCc2nc2cccc(N3CCN(CCCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
Nc1c2CCCCc2nc2cccc(N3CCN(CCCc4c[nH]c5ccc(cc45)C#N)CC3)c12
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#N)c1
CCCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN2CCN(CC#C)CC2)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC)CC#C)c1
CCCN(CC#C)Cc1cn(cn1)-c1cc(NC(=S)NCC)ncn1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)C(C)=O)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)Cc2ccccc2)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCN(CC#C)CC#N)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CNCC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CN(CC#C)CC#C)c1
CCNC(=S)Nc1cc(ncn1)-n1cnc(CCCNCC#C)c1
CC\C=C/CCCCCCCCCC(=O)C(F)(F)F
CC\C=C/CCCCCCCCCCC(=O)C(F)(F)F
CCOP(=O)(OCC)SCCCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCCCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCSP(=O)(OCC)OCC
CCOP(=S)(O)OCC
CCOP(=O)(OCC)SCCCCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCCCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCCCCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=O)(OCC)SCCCCCCN1C(=O)c2ccccc2C1=O
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
CCOP(=O)(OCC)SCCCCCCSP(=O)(OCC)OCC
CCOP(=O)(OCC)SCCCN1C(=O)c2ccccc2C1=O
CC(C)N(C)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(Nc3ccccc3C)ccc2=O)c1
CCN(CC)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(Nc3ccccc3)ccc2=O)c1
CCN(CC)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(ccc2=O)-c2cccc3ccccc23)c1
CCN(C)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(Nc3ccccc3C)ccc2=O)c1
CCN(CC)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(ccc2=O)-c2ccccc2)c1
CCN(CC)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(Nc3ccccc3C)ccc2=O)c1
CCN(C(C)C)C(=O)C1CCN(CC1)C(=O)Nc1cccc(Cn2nc(Nc3ccccc3C)ccc2=O)c1
C(Cc1noc2cc(ccc12)N1CCOCC1)C1CCN(Cc2ccccc2)CC1
CC(=O)Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
CNc1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCN1CCCCC1
CCN(CC)c1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
CCN(CC)c1ccc(\C=C2/Cc3cc(OC)c(OCCCN4CCCCC4)cc3C2=O)cc1
CCN(CC)c1ccc(\C=C2/Cc3cc(OC)c(OCCCCCN4CCCCC4)cc3C2=O)cc1
CCCN(CCC)c1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCNC1CCCCC1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCCCNC1CCCCC1
COc1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCCNC1CCCCC1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCCCCN1CCCCC1
CCN(C)c1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
CCCN(C)c1ccc(\C=C2/Cc3cc(OC)c(OCCN4CCCCC4)cc3C2=O)cc1
COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OCCCN1CCCCC1
CO[P@]1(=O)OC[C@H]2COC(=O)C2=C(C)O1 |r,t:12|
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3c4CCCCc4nc4ccccc34)c2c1
[H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(CCC1CCN(Cc3ccccc3)CC1)C2=O)c1ccc2OCOc2c1 |r|
CN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(C)Cc1ccccc1)Cc1ccccc1
CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccc(cc1)N(C)C)Cc1ccc(cc1)N(C)C
OC(=O)c1cc(O)c(cc1O)C(O)=O
CCN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(CC)Cc1ccccc1)Cc1ccccc1
CCN(CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
CN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(C)Cc1ccccc1)Cc1ccccc1
CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1)Cc1ccccc1
CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1N(C)C)Cc1ccccc1N(C)C
Oc1cc(C(=O)NCCCCN2CCOc3ccccc3C2)c(O)cc1C(=O)NCCCCN1CCOc2ccccc2C1
CN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(C)Cc1ccccc1)Cc1ccccc1
CCN(C)C(=O)Oc1cccc(c1)[C@H](C)N(C)C |r|
COc1ccccc1CN(C)CCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCN(C)Cc1ccccc1OC
CCN(CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
CCN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(CC)Cc1ccccc1OC)Cc1ccccc1OC
CCOC(=O)c1cc(O)c(cc1O)C(=O)OCC
COc1ccccc1CN(C)CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(C)Cc1ccccc1OC
CCN(CCCCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCCCN(CC)Cc1ccccc1)Cc1ccccc1
COc1ccccc1CN(C)CCCCNC(=O)c1cc(O)c(cc1O)C(=O)NCCCCN(C)Cc1ccccc1OC
CN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC(=O)N(C)C)cc2o1
CCN(CC)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC(=O)N(CC)CC)cc2o1
Oc1cc(OC(=O)N(c2ccccc2)c2ccccc2)cc2oc(cc(=O)c12)-c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1
CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC(=O)N(C)CC)cc2o1
CON(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC(=O)N(C)OC)cc2o1
Oc1cc(OC(=O)N2CCCC2)cc2oc(cc(=O)c12)-c1ccc(OC(=O)N2CCCC2)cc1
Oc1cc(OC(=O)N2CCOCC2)cc2oc(cc(=O)c12)-c1ccc(OC(=O)N2CCOCC2)cc1
CN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(=O)N(C)C)cc(OC(=O)N(C)C)cc2o1
CCN(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)cc2o1
CON(C)C(=O)Oc1ccc(cc1)-c1cc(=O)c2c(OC(=O)N(C)OC)cc(OC(=O)N(C)OC)cc2o1
O=C(Oc1ccc(cc1)-c1cc(=O)c2c(OC(=O)N3CCOCC3)cc(OC(=O)N3CCOCC3)cc2o1)N1CCOCC1
c1cc(ccc1C2=CC(=O)c3c(cc(cc3O2)O)O)O
Nc1c2CCCCc2nc2nn(cc12)-c1ccccc1
Cc1nn(-c2ccccc2)c2nc3nc4CCCCc4c(N)c3cc12
COc1cc2CC(CC3(F)CCN(Cc4ccccc4F)CC3)C(=O)c2cc1OC
COc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1OC
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccc(cc1)N(C)C
CCN(CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CCCCCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1)Cc1ccccc1
CCN(CC)CCCOc1ccc(C(=O)\C=C\c2ccc(cc2)N(C)C)c(O)c1
CCN(CCCOc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1)Cc1ccccc1N(C)C
CCN(CCCCOc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1)Cc1ccccc1OC
CCN(CCCCOc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1)Cc1ccccc1N(C)C
CN(C)c1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1
COc1ccc(\C=C\C(=O)c2ccc(cc2O)N(C)C)cc1
C(NC1C2N(Cc3ccccc3)C3C(N(Cc4ccccc4)C4(CC4N2Cc2ccccc2)N3Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 |TLB:26:25:4:41.13.2,42:41:4:22.33.24.25,23:22:4:41.13.2,34:33:4:41.13.2,THB:14:22:4:41.13.2,14:13:4:22.33.24.25,23:24:4:41.13.2,1:2:4:22.33.24.25,34:33:14.13:24.4.3.25|
COc1cc(CNC2C3N(Cc4cc(OC)cc(OC)c4)C4C(N(Cc5cc(OC)cc(OC)c5)C5(CC5N3Cc3cc(OC)cc(OC)c3)N4Cc3cc(OC)cc(OC)c3)N2Cc2cc(OC)cc(OC)c2)cc(OC)c1 |TLB:39:38:9:62.22.7,63:62:9:35.50.37.38,36:35:9:62.22.7,51:50:9:62.22.7,THB:23:35:9:62.22.7,23:22:9:35.50.37.38,36:37:9:62.22.7,6:7:9:35.50.37.38,51:50:23.22:37.9.8.38|
C(NC1C2N(Cc3ccc4OCOc4c3)C3C(N(Cc4ccc5OCOc5c4)C4(CC4N2Cc2ccc4OCOc4c2)N3Cc2ccc3OCOc3c2)N1Cc1ccc2OCOc2c1)c1ccc2OCOc2c1 |TLB:32:31:4:53.16.2,54:53:4:28.42.30.31,29:28:4:53.16.2,43:42:4:53.16.2,THB:17:28:4:53.16.2,17:16:4:28.42.30.31,29:30:4:53.16.2,1:2:4:28.42.30.31,43:42:17.16:30.4.3.31|
Clc1ccccc1CNC1C2N(Cc3ccccc3Cl)C3C(N(Cc4ccccc4Cl)C4(CC4N2Cc2ccccc2Cl)N3Cc2ccccc2Cl)N1Cc1ccccc1Cl |TLB:35:34:11:52.21.9,32:31:11:52.21.9,44:43:11:52.21.9,53:52:11:31.43.33.34,THB:8:9:11:31.43.33.34,22:31:11:52.21.9,22:21:11:31.43.33.34,32:33:11:52.21.9,44:43:22.21:11.33.34.10|
Clc1ccc2c(NCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
Clc1ccc2c(NCCCCCCCCCCNC3CCc4[nH]c(=O)ccc4C3)c3CCCCc3nc2c1
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:53,t:1,TLB:0:1:14:4.5.11,THB:37:36:33:44.47.45,41:42:33:44.47.45|
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN1CCCN(CC(=O)N2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:54,t:1,TLB:0:1:14:4.5.11,THB:38:37:34:45.48.46,42:43:34:45.48.46|
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCCN(CCN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:52,t:1,TLB:6:5:14:13.2.1,10:11:14:13.2.1,THB:36:35:32:43.46.44,40:41:32:43.46.44|
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)NCCC[C@H]23 |wU:3.3,wD:12.15,18.19,t:1,TLB:6:5:18:2.1.13,(.84,4.16,;-.37,3.17,;-1.74,2.22,;-1.96,.87,;-.21,.47,;.96,.92,;2.5,.89,;3.22,-.43,;4.79,-.48,;2.4,-1.74,;.86,-1.71,;.13,-.38,;-1.34,-.01,;.36,2.17,;-1.74,-1.17,;-1.33,-2.57,;-2.63,-3.42,;-2.17,-2.28,;-2.62,-.57,)|
CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C
CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3C=CC4=C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |c:13,t:15|
CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)C3CC[C@]12C)C(C)C |t:14|
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@@]33OO[C@@]21C=C3)C(C)C |c:31,t:15|
CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |c:12|
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:12,24|
CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(O)C4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:11|
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C |t:14|
CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C |c:25,t:15|
CN(C)C(=O)Oc1ccc(cc1)C1CC(=O)c2c(O)cc(OC(=O)N(C)C)cc2O1
CCN(CC)C(=O)Oc1ccc(cc1)C1CC(=O)c2c(O)cc(OC(=O)N(CC)CC)cc2O1
CCN(C)C(=O)Oc1ccc(cc1)C1CC(=O)c2c(O)cc(OC(=O)N(C)CC)cc2O1
CON(C)C(=O)Oc1ccc(cc1)C1CC(=O)c2c(O)cc(OC(=O)N(C)OC)cc2O1
Oc1cc(OC(=O)N(c2ccccc2)c2ccccc2)cc2OC(CC(=O)c12)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1
Oc1cc(OC(=O)N2CCOCC2)cc2OC(CC(=O)c12)c1ccc(OC(=O)N2CCOCC2)cc1
Oc1cc(OC(=O)N2CCCC2)cc2OC(CC(=O)c12)c1ccc(OC(=O)N2CCCC2)cc1
CCN(C)C(=O)Oc1ccc(cc1)-c1coc2cc(OC(=O)N(C)CC)cc(O)c2c1=O
CON(C)C(=O)Oc1ccc(cc1)-c1coc2cc(OC(=O)N(C)OC)cc(O)c2c1=O
CCN(CC)C(=O)Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1
CCN(C)C(=O)Oc1cc(O)c2C(=O)CC(Oc2c1)c1ccc(O)cc1
CCN(C)C(=O)Oc1ccc(cc1)C1CC(=O)c2c(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)cc2O1
CCN(C)C(=O)Oc1ccc(cc1)-c1coc2cc(OC(=O)N(C)CC)cc(OC(=O)N(C)CC)c2c1=O
c1cc(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O
c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O
CCNC(=O)Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
O=C(Oc1ccc(\C=C\c2cc(OC(=O)N3CCN(Cc4ccccc4)CC3)cc(OC(=O)N3CCN(Cc4ccccc4)CC3)c2)cc1)N1CCN(Cc2ccccc2)CC1
CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C
CCCC\N=c1/n2CCCc2nc2ccccc12
Clc1ccc2C(NCCCCCCCCN=c3n4CCCc4nc4cc(Cl)ccc34)N3CCCC3=Nc2c1 |w:15.14,c:38|
C(CCC\N=c1\n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
C(CCCC\N=c1/n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
C(CCC\N=c1\n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
N=c1n2CCCc2nc2ccccc12
N=c1n2CCCCCCc2nc2ccccc12
CCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Clc1ccc2c(c1)nc1CCCn1\c2=N\CCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
C(CCC\N=c1\n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
C(CCC\N=c1\n2CCCc2nc2ccccc12)CCC\N=c1/n2CCCc2nc2ccccc12
C(CCCC\N=c1/n2CCCCc2nc2ccccc12)CCC\N=c1/n2CCCCc2nc2ccccc12
CC(=O)N=c1n2CCCc2nc2ccccc12 |w:3.2|
C(CCCC\N=c1/n2CCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCc2nc2ccccc12
C(CCCC\N=c1/n2CCCCCCc2nc2ccccc12)CCC\N=c1/n2CCCCCCc2nc2ccccc12
CN(CCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:34,61,THB:31:30:18:20.21.27,49:50:41:52.55.53,45:44:41:52.55.53|
CN(CCCCCCCCCCN(C)Cc1cccnc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37|
CN(CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:40,67,THB:32:33:24:35.36.38,28:27:24:35.36.38,55:56:47:58.59.61,51:50:47:58.59.61|
CN(CCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:30,56,THB:22:23:14:25.26.28,18:17:14:25.26.28,44:45:36:47.48.50,40:39:36:47.48.50|
CN(CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:38,65,TLB:35:34:22:24.25.31,THB:53:54:45:56.59.57,49:48:45:56.59.57|
CN(CCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:33,59,THB:30:29:17:19.20.26,43:42:39:50.53.51,47:48:39:50.53.51|
CN(CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:35,61,THB:32:31:19:21.22.28,54:53:41:43.44.50|
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@]3(C1)NCCC[C@H]23 |r,t:1,THB:0:1:4.5.11:18|
COc1ccccc1CN(C)CCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:47,THB:43:42:30:32.33.39|
CN(CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3)CCC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:36,63,THB:51:52:43:54.57.55,33:32:20:22.23.29,47:46:43:54.57.55|
CN(CCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:46,THB:42:41:29:31.32.38|
CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN1CCN(CN2CCC[C@@H]3[C@@H]4Cc5[nH]c(=O)ccc5[C@]23CC(C)=C4)CC1 |c:50,t:1,TLB:0:1:14:4.5.11,THB:38:39:30:41.44.42,34:33:30:41.44.42|
COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)COc1ccc(C=O)cc1 |w:4.4|
NCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
NCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
NCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
O=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCCNC(=O)CCCCC1CCSS1
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCNC(=O)CCCCC1CCSS1
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCNC(=O)CCCCC1CCSS1
C(\N=c1/n2CCCCCCCc2nc2ccccc12)c1ccccc1
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCCNC(=O)CCCCC1CCSS1
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCCNC(=O)CCCCC1CCSS1
Clc1ccc2c(c1)nc1CCCn1\c2=N/CCCNC(=O)CCCCC1CCSS1
NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12
NCCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
NCCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
NCCCCCC\N=c1/n2CCCc2nc2cc(Cl)ccc12
COc1cc2oc(Cc3cccc(CN4CCCCC4)c3)c(O)c2cc1OC
COc1cc2CC(Cc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Cc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
COc1cc2oc(Cc3ccc(CN4CCCC4)cc3)c(O)c2cc1OC
COc1cc2oc(Cc3cccc(CN4CCCC4)c3)c(O)c2cc1OC
COc1cc2CC(Cc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Cc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
CCN(CC)Cc1ccc(Cc2oc3cc(OC)c(OC)cc3c2O)cc1
CCN(CC)Cc1cccc(Cc2oc3cc(OC)c(OC)cc3c2O)c1
CCN(CC)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1
CCN(C)Cc1cccc(Cc2oc3cc(OC)c(OC)cc3c2O)c1
CCN(C)Cc1ccc(CC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(C)Cc1cccc(CC2Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2CC(Cc3ccc(CN(C)C)cc3)C(=O)c2cc1OC
COc1cc2CC(Cc3cccc(CN(C)C)c3)C(=O)c2cc1OC
COc1cc2O\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
COc1cc2C\C(=C/c3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
COc1cc2C\C(=C/c3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
COc1cc2O\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
COc1cc2O\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
COc1cc2C\C(=C/c3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
COc1cc2C\C(=C/c3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
CCN(CC)Cc1ccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)Cc1cccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)c1
CCN(CC)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
CCN(C)Cc1cccc(\C=C2/Oc3cc(OC)c(OC)cc3C2=O)c1
CCN(C)Cc1ccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(C)Cc1cccc(\C=C2/Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2C\C(=C/c3ccc(CN(C)C)cc3)C(=O)c2cc1OC
COc1cc2C\C(=C/c3cccc(CN(C)C)c3)C(=O)c2cc1OC
COc1ccc2CN(CCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:29|
COc1ccc2CN(CCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:30|
COc1ccc2CN(CCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
COc1ccc2CN(CCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32|
COc1ccc2CN(CCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
COc1ccc2CN(CCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:35|
COc1ccc2CN(CCCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:36|
COc1ccc2CN(CCCCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:37|
COc1ccc2CN(CCCCCCCCCCCCOc3ccc(CN4CCCCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:39|
CCN(CC)Cc1ccc(OCCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(C2)ccc3OC)cc1 |r,c:19|
CCN(CC)Cc1ccc(OCCCCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c4c(C2)ccc3OC)cc1 |r,c:21|
COc1ccc2CN(CCCCOc3ccc(CN4CCOCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
COc1ccc2CN(CCCCCCOc3ccc(CN4CCOCC4)cc3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
COc1ccc2CN(CCCCOc3cccc(c3)C(C)N3CCOCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:32|
COc1ccc2CN(CCCCCCOc3cccc(c3)C(C)N3CCOCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:34|
COc1ccc2CN(CCCCOc3ccc(cc3)C(=O)N3CCCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
COc1ccc2CN(CCCCCCOc3ccc(cc3)C(=O)N3CCCC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
COc1ccc2CN(CCCCOC3CCN(Cc4ccccc4)CC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:31|
COc1ccc2CN(CCCCCCOC3CCN(Cc4ccccc4)CC3)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24 |r,c:33|
COc1cc2CC(Oc3ccc(CCN4CCCCC4)cc3)C(=O)c2cc1OC
CCN(C)CCCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)CCCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(cc3)C(=O)CCCN3CCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(=O)CCCN3CCCCC3)C(=O)c2cc1OC
CCN(CC)CCC(=O)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2CC(Oc3cccc(c3)C(=O)CCN3CCCC3)C(=O)c2cc1OC
CCN(C)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)CCC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(cc3)C(=O)CCN3CCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(=O)CCN3CCCCC3)C(=O)c2cc1OC
CCN(C)CC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)CC(=O)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(cc3)C(=O)CN3CCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(=O)CN3CCCCC3)C(=O)c2cc1OC
CCN(CC)CCCCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(CCCCN4CCCC4)cc3)C(=O)c2cc1OC
CCN(CC)CCCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(CCCN4CCCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(CCCN4CCCCC4)cc3)C(=O)c2cc1OC
CCN(C)CCc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
CCN(CC)CCc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2CC(Oc3cccc(CCN4CCCC4)c3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(CCN4CCCCC4)c3)C(=O)c2cc1OC
CCN(C)CCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)CCc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3ccc(CCN4CCCC4)cc3)C(=O)c2cc1OC
[O-][N+](=O)OCC(=O)NCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCCNCCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCNCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCCNCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCNCCCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCCNCCCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
[O-][N+](=O)OCCCCCCNCCCCCCCCNc1c2CCCCc2nc2ccccc12
CCCNCCCCNc1c2CCCCc2nc2ccccc12
CN(C)C(=O)Oc1ccc(CN2CCN(CC#C)CC2)c2cccnc12
Nc1c2C3CCC(C3)c2nc2ccccc12
Nc1c2C(O)CCCc2nc2ccccc12
Nc1c2C3CCC(C3)c2nc2cccc(Cl)c12
Nc1c2C3CCC(C3)c2nc2c(Cl)cccc12
Nc1c2C3CCC(C3)c2nc2ccc(Cl)cc12
Nc1c2CCCCc2nc2c(Cl)cccc12
Nc1c2CCCCc2nc2ccc(Cl)cc12
Nc1c2CCCCc2nc2cc(Cl)ccc12
Nc1c2C3CCC(C3)c2nc2cc(Cl)ccc12
Nc1c2CCCCc2nc2cccc(Cl)c12
Nc1cc(nc2ccccc12)-c1ccccc1
Nc1c2CCc3ccccc3-c2nc2ccccc12
Nc1c2Cc3ccccc3-c2nc2ccccc12
Nc1c2SCc3ccccc3-c2nc2ccccc12
Nc1c2OCc3ccccc3-c2nc2ccccc12
COc1cc2occ(-c3ccc(cc3)N3CCCC3)c(=O)c2cc1OC
COc1cc2OC(CC(=O)c2cc1OC)c1ccc(cc1)N1CCCCC1
CCN(C)c1ccc(cc1)-c1coc2cc(OC)c(OC)cc2c1=O
CCN(CC)c1ccc(cc1)-c1cc(=O)c2cc(OC)c(OC)cc2o1
COc1cc2OC(CC(=O)c2cc1OC)c1ccc(cc1)N1CCCC1
COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(cc1)N1CCCCC1
COc1cc(O)c(cc1OC)C(=O)\C=C\c1cccc(c1)N1CCCC1
COc1cc2oc(cc(=O)c2cc1OC)-c1ccc(cc1)N1CCCC1
CCN(C)c1ccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)cc1
CCN(CC)c1ccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)cc1
CCN(CC)c1cccc(\C=C\C(=O)c2cc(OC)c(OC)cc2O)c1
COc1cc(O)c(cc1OC)C(=O)\C=C\c1ccc(cc1)N1CCCC1
COc1cc(O)c(cc1OC)C(=O)\C=C\c1ccc(cc1)N1CCCCC1
CCN(C)c1ccc(cc1)-c1cc(=O)c2cc(OC)c(OC)cc2o1
CCN(CC)c1cccc(c1)-c1cc(=O)c2cc(OC)c(OC)cc2o1
COc1cc2oc(cc(=O)c2cc1OC)-c1cccc(c1)N1CCCC1
CCN(C)c1ccc(cc1)C1CC(=O)c2cc(OC)c(OC)cc2O1
CCN(CC)c1ccc(cc1)C1CC(=O)c2cc(OC)c(OC)cc2O1
CCN(CC)c1cccc(c1)C1CC(=O)c2cc(OC)c(OC)cc2O1
COc1cc2OC(CC(=O)c2cc1OC)c1cccc(c1)N1CCCC1
CCN(CC)c1ccc(cc1)-c1coc2cc(OC)c(OC)cc2c1=O
CCN(CC)c1cccc(c1)-c1coc2cc(OC)c(OC)cc2c1=O
COc1cc2occ(-c3cccc(c3)N3CCCC3)c(=O)c2cc1OC
COc1cc2occ(-c3ccc(cc3)N3CCCCC3)c(=O)c2cc1OC
[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Cl)cc3)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21 |r|
COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(c3)C#N)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Cl)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3Br)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3Cl)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3C)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)cc21 |r|
CC(C)c1cccc(C(C)C)c1NC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21 |r|
CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r|
CN(C)c1nc(N)c(cc1C#N)C#N
Nc1nc(N2CCCC2)c(cc1C#N)C#N
Nc1nc(N2CCCCC2)c(cc1C#N)C#N
Nc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9|
Nc1nc(N2CCC(O)CC2)c(cc1C#N)C#N
Nc1nc(NCCO)c(cc1C#N)C#N
Nc1nc(NCC#C)c(cc1C#N)C#N
Nc1nc(N2CCC(Cc3ccccc3)CC2)c(cc1C#N)C#N
CN(C)c1nc(N)c(C#N)c(-c2ccccc2)c1C#N
Nc1nc(N2CCCC2)c(C#N)c(-c2ccccc2)c1C#N
Nc1nc(N2CCCCC2)c(C#N)c(-c2ccccc2)c1C#N
Nc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |THB:3:4:6.7:10.9|
Nc1nc(NCc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N
COc1nc(N)c(cc1C#N)C#N
CCOc1nc(N)c(cc1C#N)C#N
Nc1nc(OCCCc2ccccc2)c(cc1C#N)C#N
Nc1nc(Sc2ccccc2)c(C#N)c(-c2ccccc2)c1C#N
Nc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C#N
CN(C)c1nc(Cl)c(cc1C#N)C#N
Clc1nc(N2CCCC2)c(cc1C#N)C#N
Clc1nc(N2CCCCC2)c(cc1C#N)C#N
Clc1nc(N2C3CCC2CC3)c(cc1C#N)C#N |TLB:3:4:6.7:10.9|
CN(C)c1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N
Clc1nc(N2CCCC2)c(C#N)c(-c2ccccc2)c1C#N
Clc1nc(N2CCCCC2)c(C#N)c(-c2ccccc2)c1C#N
Clc1nc(N2C3CCC2CC3)c(C#N)c(-c2ccccc2)c1C#N |TLB:3:4:9.10:6.7|
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCN1CCOCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCN1CCOCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCN1CCCCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCN1CCCCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCN1CCCC1
CCCN(CCC)CCCOc1c(OC)ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc12
CCN(CC)CCCOc1c(OC)ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc12
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCN(C)C
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCN(C)C
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCO
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCNC1CCCCC1
COc1ccc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
COc1ccc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
COc1ccc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
COc1ccc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc1OC
COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc(OC)c1OC
COc1cc(CNCCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COc1cc(CNCCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COc1cc(CNCCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COc1cc(CNCCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COc1cc(CNCCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COc1cc(CNCCCCNc2c3CCCCc3nc3ccccc23)cc2OCOc12
COC(=O)C1CCCN1c1cn(CCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
COC(=O)C1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCOC(=O)C1CCCN1c1cn(CCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCOC(=O)C1CCCN1c1cn(CCCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn1cc(nn1)N1CCCCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCn1cc(nn1)N1CCCCC1
CCCCN(CCCC)c1cn(CCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCCCN(CCCC)c1cn(CCCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCCN(CCC)c1cn(CCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCCN(CCC)c1cn(CCCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn1cc(nn1)N(C(C)C)C(C)C
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCn1cc(nn1)N(C(C)C)C(C)C
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCn1cc(nn1)-c1ccccc1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCn1cc(nn1)-c1ccccc1
CCCCc1cn(CCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CCCCc1cn(CCCCOc2c(OC)ccc3cc4-c5cc6OCOc6cc5CC[n+]4cc23)nn1
CC1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1
CN1CCN(CC1)c1nccc(NCc2cccc3ccccc23)n1
C(Nc1ccnc(n1)N1CCSCC1)c1cccc2ccccc12
C(Nc1ccnc(n1)N1CCOCC1)c1cccc2ccccc12
C(Nc1ccnc(n1)N1CCCC1)c1cccc2ccccc12
CC(=O)N1CCN(CC1)c1nccc(NCCc2ccccc2)n1
CC1CCN(CC1)c1nccc(NCCc2ccccc2)n1
CN1CCN(CC1)c1nccc(NCCc2ccccc2)n1
C(Cc1ccccc1)Nc1ccnc(n1)N1CCSCC1
C(Cc1ccccc1)Nc1ccnc(n1)N1CCOCC1
C(Cc1ccccc1)Nc1ccnc(n1)N1CCCC1
C(Nc1ccnc(n1)N1CCNCC1)c1ccccc1
O=S1(=O)CCN(CC1)c1nccc(NCc2ccccc2)n1
O=S1CCN(CC1)c1nccc(NCc2ccccc2)n1
C(Nc1ccnc(NC2CCN(Cc3ccccc3)CC2)n1)c1ccccc1
FC(F)(F)c1ccc(CN2CCN(CC2)c2nccc(NCc3ccccc3)n2)cc1
Fc1ccc(CN2CCN(CC2)c2nccc(NCc3ccccc3)n2)cc1
Brc1ccc(CN2CCN(CC2)c2nccc(NCc3ccccc3)n2)cc1
Clc1ccc(CN2CCN(CC2)c2nccc(NCc3ccccc3)n2)cc1
COCCN1CCN(CC1)c1nccc(NCc2ccccc2)n1
OCCN1CCN(CC1)c1nccc(NCc2ccccc2)n1
CCCN1CCN(CC1)c1nccc(NCc2ccccc2)n1
CC(C)C1CCN(CC1)c1nccc(NCc2ccccc2)n1
CC(C)N1CCN(CC1)c1nccc(NCc2ccccc2)n1
C(Nc1ccnc(n1)N1CCN(CC1)C1CCCCC1)c1ccccc1
CC(C)(C)OC(=O)N1CCN(CC1)c1nccc(NCc2ccccc2)n1
CC(=O)N1CCN(CC1)c1nccc(NCc2ccccc2)n1
CC1CCN(CC1)c1nccc(NCc2ccccc2)n1
CN1CCN(CC1)c1nccc(NCc2ccccc2)n1
C(Nc1ccnc(n1)N1CCSCC1)c1ccccc1
C(Nc1ccnc(n1)N1CCOCC1)c1ccccc1
C(Nc1ccnc(n1)N1CCCC1)c1ccccc1
COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+]3CCCCC3)cc2)cc1 |(22.64,-11.65,;21.3,-10.89,;19.97,-11.67,;18.64,-10.91,;17.31,-11.67,;15.97,-10.91,;14.64,-11.68,;14.66,-13.22,;15.99,-13.99,;17.31,-13.21,;18.64,-13.98,;19.97,-13.21,;21.31,-13.98,;22.64,-13.2,;13.33,-14,;13.34,-15.54,;12.01,-16.32,;10.67,-15.55,;9.34,-16.33,;8,-15.57,;6.67,-16.34,;5.33,-15.58,;5.33,-14.04,;4,-13.27,;2.66,-14.05,;2.67,-15.6,;1.33,-16.37,;-0,-15.6,;-0,-14.06,;1.33,-13.29,;-1.34,-16.37,;-2.67,-15.59,;-4,-16.35,;-4.01,-17.9,;-2.67,-18.67,;-1.33,-17.91,;6.65,-13.26,;7.99,-14.02,;10.66,-14.02,;11.98,-13.24,)|
C[N+](C)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)C)c2)cc1 |(13.65,5.42,;13.65,3.88,;12.32,3.11,;14.99,3.11,;16.32,3.88,;17.65,3.11,;17.64,1.57,;18.98,.8,;20.31,1.57,;20.31,3.11,;21.64,3.88,;22.98,3.12,;22.98,1.57,;24.32,.8,;25.65,1.57,;26.98,.8,;28.31,1.57,;28.31,3.12,;26.96,3.88,;25.64,3.11,;29.64,3.89,;30.98,3.12,;29.64,5.43,;21.65,.8,;16.32,.8,;14.99,1.56,)|
C(c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-2.65,-3.2,;-1.32,-3.97,;-1.32,-5.51,;.01,-6.28,;1.34,-5.51,;1.34,-3.97,;2.68,-3.2,;2.67,-1.66,;4,-.89,;4,.65,;2.64,1.42,;1.33,.65,;1.33,-.91,;2.64,2.96,;3.88,3.87,;3.41,5.31,;1.87,5.31,;1.38,3.85,;.01,-3.2,;-2.65,-1.66,;-1.31,-.89,;-1.32,.65,;-2.66,1.42,;-4.01,.65,;-4.01,-.89,;-2.66,2.96,;-3.91,3.87,;-3.45,5.32,;-1.91,5.34,;-1.42,3.87,)|
C(c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-2.65,-3.58,;-1.33,-4.34,;-1.33,-5.89,;,-6.65,;1.34,-5.89,;1.34,-4.32,;2.68,-3.55,;2.66,-2.01,;3.97,-1.24,;3.97,.3,;2.66,1.05,;1.31,.27,;1.34,-1.27,;2.64,2.58,;3.97,3.35,;3.97,4.89,;2.66,5.64,;1.34,4.89,;1.34,3.33,;,-3.55,;-2.65,-2.01,;-1.31,-1.24,;-1.33,.3,;-2.65,1.07,;-3.99,.3,;-3.99,-1.24,;-2.66,2.61,;-1.33,3.36,;-1.35,4.89,;-2.66,5.65,;-4.01,4.89,;-4.01,3.35,)|
C(c1cccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)c1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(7.52,-12.55,;8.85,-11.79,;8.85,-10.24,;10.18,-9.47,;11.52,-10.23,;11.52,-11.79,;12.86,-12.55,;14.19,-11.78,;15.52,-12.55,;16.85,-11.78,;16.85,-10.24,;15.51,-9.47,;14.18,-10.25,;18.18,-9.46,;18.18,-7.93,;19.51,-7.16,;20.85,-7.93,;22.18,-7.16,;23.52,-7.93,;23.51,-9.48,;22.18,-10.24,;20.85,-9.48,;19.51,-10.24,;10.19,-12.56,;6.19,-11.78,;6.2,-10.24,;4.86,-9.47,;3.53,-10.24,;3.53,-11.79,;4.86,-12.55,;2.19,-9.48,;2.19,-7.94,;.86,-7.17,;-.47,-7.94,;-1.81,-7.17,;-3.14,-7.94,;-3.14,-9.49,;-1.81,-10.26,;-.48,-9.49,;.86,-10.25,)|
COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+]3CCc4cc(OC)c(OC)cc4C3)c2)cc1 |(-9.95,-10.16,;-8.61,-9.39,;-7.28,-10.16,;-5.94,-9.39,;-4.61,-10.16,;-3.28,-9.39,;-1.95,-10.16,;-1.94,-11.69,;-3.27,-12.47,;-4.61,-11.7,;-5.94,-12.47,;-7.28,-11.71,;-8.61,-12.48,;-9.94,-11.71,;-.61,-12.46,;.73,-11.69,;2.06,-12.46,;2.05,-14,;3.38,-14.77,;4.72,-14,;4.72,-12.46,;6.05,-11.69,;7.38,-12.45,;7.39,-14,;8.72,-14.77,;10.05,-14,;11.38,-14.77,;12.71,-14,;12.71,-12.45,;11.37,-11.69,;10.04,-12.46,;14.04,-11.68,;14.05,-10.15,;15.38,-9.37,;16.71,-10.15,;18.04,-9.38,;19.38,-10.14,;20.71,-9.38,;22.05,-10.15,;19.38,-11.69,;20.71,-12.47,;22.04,-11.7,;18.04,-12.46,;16.71,-11.69,;15.37,-12.46,;6.05,-14.77,;.73,-14.77,;-.61,-14.01,)|
C[N+](c1ccccc1)=c1ccn(Cc2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(1.31,3.04,;2.65,2.28,;3.98,3.06,;3.97,4.6,;5.31,5.35,;6.65,4.6,;6.66,3.06,;5.34,2.28,;2.67,.74,;3.98,-.02,;3.98,-1.57,;2.67,-2.32,;2.69,-3.88,;1.34,-4.64,;1.34,-6.2,;,-6.98,;-1.32,-6.2,;-1.32,-4.66,;-2.66,-3.89,;-2.66,-2.32,;-1.31,-1.57,;-1.32,-.02,;-2.66,.75,;-4,-.02,;-4,-1.57,;-2.67,2.29,;-1.35,3.08,;-4.01,3.04,;-4.01,4.6,;-5.35,5.32,;-6.66,4.55,;-6.64,3.03,;-5.32,2.28,;,-3.88,;1.34,-1.57,;1.33,-.03,)|
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)n1ccc(cc1)=[N+]1CCCC1 |(4.09,-2.71,;2.55,-2.71,;1.78,-4.04,;.24,-4.04,;-.53,-2.71,;-2.05,-2.71,;-2.84,-1.38,;-2.79,.16,;-4.12,.96,;-5.48,.21,;-5.5,-1.33,;-4.19,-2.12,;-6.79,1,;-6.91,2.54,;-8.4,2.89,;-9.21,1.56,;-8.21,.41,;.24,-1.38,;1.78,-1.38,;4.86,-1.38,;3.51,-.63,;3.51,.91,;4.86,1.7,;6.19,.93,;6.19,-.61,;4.86,3.22,;6.08,4.13,;5.6,5.58,;4.07,5.58,;3.6,4.12,)|
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(4.21,-2.95,;2.68,-2.95,;1.91,-4.28,;.37,-4.28,;-.39,-2.95,;-1.93,-2.95,;-2.71,-1.62,;-2.68,-.1,;-4.01,.72,;-5.34,-.03,;-5.38,-1.57,;-4.05,-2.36,;-6.67,.76,;-6.64,2.3,;-7.95,3.1,;-9.3,2.37,;-9.33,.83,;-8.02,.02,;.37,-1.62,;1.91,-1.62,;4.98,-1.62,;3.65,-.87,;3.64,.67,;4.98,1.45,;6.31,.69,;6.31,-.85,;4.97,2.98,;6.31,3.75,;6.3,5.27,;4.98,6.06,;3.65,5.27,;3.65,3.73,)|
C(c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(20.19,-23.01,;21.52,-22.24,;21.52,-20.69,;22.85,-19.92,;24.19,-20.69,;25.52,-19.91,;26.86,-20.68,;26.86,-22.21,;28.2,-22.98,;29.53,-22.2,;29.52,-20.65,;28.18,-19.89,;30.87,-22.97,;30.87,-24.51,;32.2,-25.27,;33.53,-24.5,;34.86,-25.26,;36.19,-24.49,;36.19,-22.95,;34.86,-22.19,;33.53,-22.96,;32.19,-22.19,;24.19,-22.24,;22.86,-23.01,;18.85,-22.24,;18.86,-20.69,;17.53,-19.92,;16.19,-20.69,;16.19,-22.24,;17.53,-23.01,;14.86,-19.92,;14.85,-18.38,;13.52,-17.61,;12.19,-18.38,;10.87,-17.61,;9.53,-18.37,;9.53,-19.92,;10.86,-20.68,;12.18,-19.92,;13.52,-20.7,)|
COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 |(70.54,-27.57,;69.21,-28.35,;67.87,-27.58,;66.54,-28.35,;65.21,-27.58,;63.88,-28.36,;62.55,-27.59,;62.55,-26.05,;63.88,-25.27,;65.22,-26.04,;66.54,-25.28,;67.87,-26.04,;69.2,-25.26,;70.54,-26.02,;61.21,-25.29,;59.88,-26.06,;58.54,-25.3,;58.54,-23.76,;57.2,-23,;55.87,-23.77,;55.88,-25.32,;54.54,-26.1,;53.2,-25.32,;51.87,-26.09,;50.53,-25.32,;50.54,-23.78,;49.21,-23.01,;47.87,-23.78,;47.88,-25.33,;49.21,-26.09,;46.54,-23.01,;46.54,-21.47,;45.21,-20.7,;43.87,-21.47,;42.55,-20.7,;41.22,-21.46,;39.89,-20.69,;38.55,-21.45,;41.22,-23,;39.88,-23.77,;38.55,-23,;42.54,-23.77,;43.87,-23.01,;45.2,-23.78,;53.21,-23.78,;54.54,-23.01,;59.86,-22.98,;61.2,-23.74,)|
C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)cc2)cc1 |(-6.66,2.21,;-6.68,.67,;-8.01,-.08,;-9.32,.72,;-10.65,-.03,;-11.97,.74,;-10.68,-1.57,;-9.37,-2.35,;-9.37,-3.89,;-8.04,-1.6,;-5.35,-.12,;-5.39,-1.67,;-4.06,-2.46,;-2.7,-1.71,;-1.93,-3.05,;-.39,-3.05,;.38,-4.37,;1.93,-4.37,;2.7,-3.04,;4.24,-3.04,;4.99,-1.71,;3.66,-.97,;3.66,.58,;4.99,1.37,;6.32,.6,;6.32,-.94,;4.99,2.89,;3.63,3.67,;6.32,3.69,;6.3,5.21,;7.63,5.98,;7.63,7.51,;8.99,5.23,;8.99,3.69,;10.32,2.91,;7.65,2.89,;1.93,-1.71,;.38,-1.71,;-2.68,-.17,;-4.01,.62,)|
C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCC2)c1)n1ccc(cc1)=[N+]1CCCC1 |(-4.02,.24,;-3.24,-1.11,;-4,-2.43,;-3.24,-3.77,;-1.7,-3.77,;-.93,-2.43,;-1.7,-1.11,;.62,-2.43,;1.38,-3.77,;2.93,-3.77,;3.71,-2.43,;2.93,-1.09,;3.69,.26,;5.22,.26,;6,-1.08,;7.54,-1.08,;8.31,.29,;7.53,1.61,;5.98,1.59,;9.86,.29,;10.75,-.97,;12.22,-.47,;12.2,1.07,;10.75,1.54,;1.38,-1.11,;-5.55,.21,;-6.92,-.5,;-8.22,.32,;-8.17,1.86,;-6.82,2.57,;-5.5,1.76,;-9.5,2.69,;-9.58,4.22,;-11.07,4.59,;-11.88,3.28,;-10.91,2.11,)|
C(c1cccc(c1)-c1cccc(Cn2ccc(cc2)=[N+]2CCCCC2)c1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.03,.12,;-3.24,-1.22,;-4.01,-2.54,;-3.24,-3.86,;-1.7,-3.86,;-.93,-2.52,;-1.7,-1.2,;.61,-2.52,;1.36,-3.86,;2.88,-3.86,;3.66,-2.52,;2.88,-1.19,;3.66,.14,;5.19,.14,;5.96,-1.19,;7.5,-1.18,;8.24,.17,;7.48,1.49,;5.93,1.47,;9.78,.17,;10.56,-1.17,;12.08,-1.15,;12.84,.18,;12.07,1.49,;10.53,1.49,;1.36,-1.2,;-5.56,.12,;-6.91,-.61,;-8.23,.23,;-8.18,1.75,;-6.8,2.47,;-5.49,1.63,;-9.47,2.56,;-9.4,4.11,;-10.69,4.92,;-12.06,4.21,;-12.11,2.69,;-10.8,1.83,)|
C(c1cccc(c1)-c1cccc(C[n+]2ccc(cc2)C2CCCCC2)c1)[n+]1ccc(cc1)C1CCCCC1
C(c1cccc(c1)-c1cccc(C[n+]2ccc(cc2)-c2ccccc2)c1)[n+]1ccc(cc1)-c1ccccc1
COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+]3CCc4cc(OC)c(OC)cc4C3)c2)cc1 |(30.87,-47.86,;32.2,-48.63,;33.54,-47.86,;34.86,-48.63,;36.19,-47.87,;37.53,-48.64,;38.87,-47.87,;38.86,-46.33,;37.53,-45.56,;36.2,-46.33,;34.88,-45.56,;33.54,-46.32,;32.21,-45.54,;30.87,-46.31,;40.19,-45.56,;40.19,-44.02,;41.53,-43.25,;42.86,-44.02,;44.19,-43.25,;45.53,-44.02,;45.53,-45.57,;46.86,-46.34,;48.2,-45.57,;48.19,-44.02,;46.86,-43.25,;49.52,-43.24,;49.51,-41.71,;50.83,-40.93,;52.18,-41.7,;52.18,-43.24,;53.52,-44,;54.85,-43.23,;56.18,-44,;57.51,-43.23,;57.51,-41.68,;56.16,-40.92,;54.84,-41.7,;58.84,-40.91,;58.82,-39.37,;60.16,-38.6,;61.49,-39.37,;62.82,-38.6,;64.15,-39.37,;65.48,-38.6,;66.82,-39.37,;64.15,-40.91,;65.48,-41.69,;66.82,-40.92,;62.82,-41.68,;61.49,-40.91,;60.17,-41.68,;50.85,-44.01,;42.86,-45.56,;41.54,-46.33,)|
C[N+](c1ccccc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccccc3)c2)cc1 |(-11.04,1.1,;-9.69,1.83,;-9.62,3.35,;-8.27,4.07,;-8.2,5.61,;-9.5,6.44,;-10.86,5.71,;-10.92,4.17,;-8.39,1.01,;-8.44,-.53,;-7.12,-1.35,;-5.76,-.64,;-4.22,-.61,;-3.44,-1.95,;-4.2,-3.28,;-3.44,-4.62,;-1.9,-4.62,;-1.13,-3.28,;-1.9,-1.95,;.41,-3.28,;1.18,-4.62,;2.71,-4.62,;3.48,-3.28,;2.71,-1.94,;3.48,-.6,;5,-.6,;5.78,-1.93,;7.32,-1.93,;8.09,-.58,;7.3,.76,;5.75,.74,;9.63,-.58,;10.41,-1.91,;10.39,.76,;11.91,.76,;12.65,2.07,;11.9,3.39,;10.36,3.37,;9.61,2.04,;1.17,-1.95,;-5.7,.89,;-7.02,1.73,)|
C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2cccc(c2)-c2cccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)c2)cc1 |(-11.11,.84,;-9.76,1.56,;-9.69,3.08,;-8.32,3.8,;-8.27,5.35,;-9.57,6.15,;-9.52,7.69,;-10.93,5.43,;-10.99,3.9,;-8.44,.72,;-7.09,1.44,;-5.77,.62,;-5.83,-.92,;-4.29,-.9,;-3.51,-2.23,;-4.27,-3.55,;-3.51,-4.9,;-1.97,-4.9,;-1.2,-3.55,;-1.97,-2.23,;.35,-3.55,;1.11,-4.9,;2.64,-4.9,;3.43,-3.55,;2.64,-2.23,;3.39,-.88,;4.93,-.88,;5.68,.46,;7.22,.47,;8.02,-.85,;7.25,-2.2,;5.7,-2.2,;9.56,-.85,;10.33,-2.18,;10.3,.47,;11.83,.47,;12.58,1.8,;11.82,3.13,;12.58,4.46,;10.29,3.09,;9.54,1.76,;1.09,-2.23,;-7.19,-1.62,;-8.51,-.8,)|
C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)n1ccc(cc1)=[N+]1CCCC1 |(-4.9,-2.46,;-3.36,-2.46,;-2.61,-1.12,;-1.07,-1.12,;-.3,-2.46,;-1.07,-3.79,;-2.61,-3.79,;1.24,-2.46,;2.01,-1.12,;3.55,-1.12,;4.32,-2.46,;5.86,-2.46,;6.63,-1.12,;8.17,-1.12,;8.92,.2,;8.17,1.53,;6.6,1.53,;5.86,.2,;8.92,2.89,;10.45,3.03,;10.76,4.54,;9.43,5.31,;8.28,4.27,;3.55,-3.79,;2.01,-3.79,;-5.69,-1.12,;-7.04,-1.85,;-8.35,-1.03,;-8.32,.49,;-6.95,1.21,;-5.64,.4,;-9.63,1.31,;-9.72,2.82,;-11.21,3.19,;-12.02,1.88,;-11.05,.72,)|
C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.88,-2.66,;-3.33,-2.66,;-2.58,-1.33,;-1.03,-1.33,;-.26,-2.66,;-1.03,-3.99,;-2.58,-3.99,;1.28,-2.66,;2.05,-1.33,;3.58,-1.32,;4.37,-2.66,;5.91,-2.66,;6.68,-1.33,;8.21,-1.33,;8.99,,;8.21,1.34,;6.65,1.34,;5.91,,;8.98,2.68,;10.51,2.68,;11.28,4.01,;10.51,5.34,;8.98,5.34,;8.21,4.01,;3.58,-3.99,;2.05,-3.99,;-5.66,-1.33,;-7.02,-2.05,;-8.34,-1.23,;-8.29,.29,;-6.93,1.02,;-5.61,.21,;-9.59,1.1,;-9.55,2.65,;-10.86,3.47,;-12.19,2.75,;-12.26,1.2,;-10.95,.38,)|
C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(26.15,-2.01,;24.82,-2.79,;24.82,-4.33,;23.49,-5.1,;22.16,-4.33,;22.15,-2.8,;23.47,-2.02,;20.83,-5.11,;19.49,-4.34,;18.16,-5.11,;18.16,-6.66,;16.83,-7.43,;15.49,-6.66,;15.5,-5.12,;14.17,-4.34,;12.83,-5.11,;12.84,-6.66,;14.17,-7.43,;11.5,-4.34,;11.49,-2.8,;10.17,-2.03,;8.83,-2.81,;7.51,-2.03,;6.18,-2.8,;6.18,-4.34,;7.5,-5.1,;8.82,-4.34,;10.16,-5.12,;19.5,-7.43,;20.83,-6.66,;27.49,-2.77,;27.49,-4.31,;28.83,-5.08,;30.16,-4.3,;30.15,-2.75,;28.81,-1.99,;31.5,-5.06,;31.5,-6.6,;32.84,-7.36,;34.16,-6.59,;35.5,-7.36,;36.83,-6.59,;36.82,-5.04,;35.49,-4.28,;34.16,-5.05,;32.82,-4.28,)|
COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+]3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 |(39.17,-5.24,;40.51,-4.47,;41.84,-5.25,;43.18,-4.48,;44.5,-5.26,;45.83,-4.48,;47.16,-5.25,;47.16,-6.79,;45.83,-7.57,;44.49,-6.79,;43.17,-7.55,;41.84,-6.79,;40.51,-7.56,;39.17,-6.79,;48.5,-7.56,;49.83,-6.79,;51.17,-7.57,;51.16,-9.11,;52.49,-9.88,;53.82,-9.11,;53.83,-7.56,;55.16,-6.79,;56.49,-7.56,;56.5,-9.11,;55.16,-9.88,;57.82,-6.78,;59.16,-7.55,;60.49,-6.78,;60.48,-5.24,;61.81,-4.46,;63.15,-5.22,;63.15,-6.76,;64.49,-7.53,;65.82,-6.75,;65.81,-5.2,;64.47,-4.44,;67.16,-7.51,;67.16,-9.05,;68.5,-9.81,;69.82,-9.04,;71.15,-9.81,;72.49,-9.04,;73.82,-9.8,;75.16,-9.03,;72.48,-7.49,;73.81,-6.71,;75.15,-7.48,;71.15,-6.73,;69.82,-7.5,;68.48,-6.73,;59.13,-4.47,;57.81,-5.25,;49.83,-9.88,;48.5,-9.11,)|
C[N+](c1ccc(Cl)cc1)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1 |(-8.94,2.54,;-9,1.01,;-10.35,.25,;-10.4,-1.28,;-11.76,-2.01,;-13.07,-1.2,;-14.43,-1.93,;-13.02,.36,;-11.68,1.07,;-7.7,.17,;-6.34,.91,;-5.01,.1,;-5.07,-1.44,;-4.27,-2.77,;-2.72,-2.77,;-1.97,-4.09,;-.43,-4.09,;.35,-2.77,;-.43,-1.44,;-1.97,-1.44,;1.88,-2.77,;2.66,-4.09,;4.2,-4.09,;4.98,-2.77,;6.52,-2.77,;7.29,-1.44,;6.52,-.1,;7.27,1.22,;8.82,1.22,;9.59,-.1,;8.82,-1.44,;9.58,2.57,;11.12,2.57,;8.81,3.9,;9.58,5.25,;8.81,6.6,;7.27,6.6,;6.49,7.88,;6.49,5.22,;7.29,3.9,;4.2,-1.43,;2.65,-1.44,;-6.42,-2.16,;-7.72,-1.34,)|
C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)cc2)cc1 |(12.43,-17.02,;13.77,-16.24,;13.76,-14.7,;15.1,-13.94,;15.1,-12.4,;16.43,-11.62,;13.76,-11.63,;12.43,-12.41,;11.09,-11.65,;12.44,-13.95,;15.1,-17.01,;16.44,-16.24,;17.77,-17.01,;17.76,-18.55,;19.09,-19.32,;20.43,-18.55,;20.43,-17.01,;21.76,-16.24,;23.09,-17,;23.1,-18.55,;21.76,-19.33,;24.42,-16.23,;25.76,-17,;27.09,-16.23,;27.08,-14.68,;28.41,-13.91,;29.75,-14.67,;29.75,-16.21,;31.09,-16.97,;32.42,-16.2,;32.41,-14.65,;31.07,-13.89,;33.76,-16.96,;35.08,-16.17,;33.76,-18.5,;32.43,-19.27,;32.43,-20.8,;31.1,-21.57,;33.76,-21.57,;35.1,-20.79,;36.44,-21.55,;35.09,-19.26,;25.73,-13.92,;24.41,-14.7,;16.44,-19.32,;15.11,-18.56,)|
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(1.95,-26.7,;.62,-27.48,;.62,-29.03,;-.72,-29.8,;-2.05,-29.03,;-3.38,-29.8,;-4.72,-29.03,;-4.71,-27.49,;-6.04,-26.72,;-7.38,-27.49,;-7.37,-29.04,;-6.04,-29.8,;-8.71,-26.72,;-8.87,-25.18,;-10.38,-24.86,;-11.15,-26.19,;-10.12,-27.34,;-2.05,-27.49,;-.72,-26.72,;3.28,-27.47,;3.28,-29.01,;4.62,-29.77,;5.95,-29,;7.29,-29.76,;8.62,-28.98,;9.95,-29.75,;11.28,-28.97,;11.28,-27.43,;9.93,-26.67,;8.6,-27.45,;12.6,-26.65,;14.01,-27.26,;15.04,-26.11,;14.26,-24.78,;12.75,-25.11,;5.94,-27.45,;4.6,-26.69,)|
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(30.51,-26.69,;29.18,-27.46,;29.19,-29.01,;27.85,-29.78,;26.51,-29.01,;25.18,-29.78,;23.85,-29.01,;23.86,-27.47,;22.53,-26.7,;21.19,-27.47,;21.19,-29.02,;22.53,-29.78,;19.86,-26.7,;19.85,-25.16,;18.53,-24.39,;17.19,-25.15,;17.19,-26.7,;18.52,-27.47,;26.52,-27.47,;27.85,-26.7,;31.85,-27.45,;31.85,-28.99,;33.18,-29.75,;34.51,-28.98,;35.85,-29.74,;37.18,-28.96,;38.52,-29.73,;39.85,-28.96,;39.84,-27.41,;38.49,-26.65,;37.17,-27.43,;41.17,-26.64,;42.5,-27.4,;43.82,-26.63,;43.82,-25.09,;42.48,-24.32,;41.15,-25.1,;34.5,-27.43,;33.17,-26.67,)|
C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(20.93,-7.34,;20.91,-5.8,;22.24,-5.01,;19.58,-5.03,;18.25,-5.81,;16.9,-5.05,;16.89,-3.51,;15.56,-2.74,;14.22,-3.52,;14.22,-5.06,;12.89,-5.85,;11.56,-5.07,;10.23,-5.85,;8.89,-5.08,;7.56,-5.85,;6.22,-5.08,;4.89,-5.87,;4.89,-7.41,;3.54,-8.18,;2.21,-7.41,;2.22,-5.87,;.89,-5.1,;-.46,-5.87,;-.44,-7.42,;.89,-8.18,;-1.79,-5.1,;-3.13,-5.87,;-1.79,-3.55,;6.22,-8.18,;7.56,-7.41,;11.55,-3.54,;12.88,-2.76,;18.22,-2.72,;19.56,-3.48,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(8.87,-5.62,;10.2,-6.38,;11.53,-5.61,;12.86,-6.38,;14.19,-5.61,;14.19,-4.07,;15.52,-3.29,;16.85,-4.04,;16.87,-5.58,;18.21,-6.35,;19.54,-5.58,;19.51,-4.02,;18.18,-3.27,;20.87,-6.33,;22.28,-5.7,;23.32,-6.84,;22.55,-8.17,;21.05,-7.86,;12.86,-3.3,;11.53,-4.08,;7.54,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.94,;3.53,-8.71,;2.2,-7.94,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.94,;.89,-8.71,;-1.79,-5.63,;-1.95,-4.09,;-3.45,-3.78,;-4.22,-5.11,;-3.19,-6.25,;6.21,-8.71,;7.54,-7.94,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(8.87,-5.62,;10.2,-6.38,;11.53,-5.61,;12.86,-6.38,;14.19,-5.61,;14.19,-4.07,;15.52,-3.29,;16.85,-4.04,;16.87,-5.58,;18.21,-6.35,;19.54,-5.58,;19.51,-4.02,;18.18,-3.27,;20.87,-6.33,;22.2,-5.55,;23.53,-6.32,;23.54,-7.86,;22.2,-8.64,;20.87,-7.87,;12.86,-3.3,;11.53,-4.08,;7.54,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.94,;3.53,-8.71,;2.2,-7.94,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.94,;.89,-8.71,;-1.79,-5.63,;-1.79,-4.09,;-3.12,-3.32,;-4.45,-4.09,;-4.46,-5.63,;-3.12,-6.4,;6.21,-8.71,;7.54,-7.94,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCOCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCOCC2)cc1 |(32.94,-41.65,;34.28,-42.41,;35.61,-41.64,;36.94,-42.41,;38.27,-41.63,;38.27,-40.09,;39.6,-39.31,;40.93,-40.08,;40.94,-41.61,;42.27,-42.38,;43.6,-41.6,;43.59,-40.05,;42.25,-39.3,;44.94,-42.36,;44.95,-43.9,;46.28,-44.66,;47.61,-43.89,;47.6,-42.35,;46.26,-41.58,;36.92,-39.33,;35.6,-40.11,;31.61,-42.42,;31.62,-43.97,;30.28,-44.74,;28.94,-43.97,;27.61,-44.74,;26.28,-43.97,;26.29,-42.43,;24.95,-41.66,;23.62,-42.43,;23.62,-43.98,;24.96,-44.74,;22.28,-41.66,;22.28,-40.12,;20.95,-39.35,;19.62,-40.11,;19.61,-41.66,;20.95,-42.43,;28.95,-42.43,;30.28,-41.66,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1 |(8.88,-5.63,;10.21,-6.38,;11.54,-5.61,;12.87,-6.38,;14.2,-5.61,;14.2,-4.07,;15.53,-3.29,;16.86,-4.05,;16.88,-5.59,;18.22,-6.36,;19.55,-5.58,;19.53,-4.02,;18.19,-3.28,;20.88,-6.33,;20.78,-7.88,;21.91,-8.92,;23.44,-8.67,;24.19,-7.33,;23.61,-5.91,;22.14,-5.46,;12.86,-3.3,;11.53,-4.09,;7.55,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.95,;3.53,-8.72,;2.2,-7.95,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.95,;.89,-8.72,;-1.79,-5.63,;-1.67,-4.09,;-2.82,-3.04,;-4.33,-3.29,;-5.11,-4.62,;-4.54,-6.05,;-3.06,-6.5,;6.21,-8.72,;7.55,-7.95,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(35.23,-49.84,;33.9,-49.07,;32.57,-49.85,;32.57,-51.4,;31.24,-52.17,;29.9,-51.4,;28.57,-52.17,;27.23,-51.4,;27.24,-49.86,;25.91,-49.09,;24.58,-49.86,;24.58,-51.4,;25.91,-52.17,;23.24,-49.09,;23.08,-47.56,;21.57,-47.24,;20.8,-48.57,;21.83,-49.72,;29.9,-49.86,;31.23,-49.08,;36.57,-49.06,;37.9,-49.83,;37.9,-51.37,;39.24,-52.13,;40.57,-51.36,;41.91,-52.12,;43.24,-51.34,;44.57,-52.11,;45.9,-51.34,;45.89,-49.79,;44.55,-49.03,;43.22,-49.81,;47.22,-49.01,;48.63,-49.62,;49.66,-48.47,;48.88,-47.14,;47.37,-47.47,;40.56,-49.81,;39.22,-49.05,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(3.59,1.34,;2.25,2.1,;.92,1.33,;.92,-.22,;-.41,-.99,;-1.75,-.22,;-3.08,-.99,;-4.41,-.22,;-4.4,1.32,;-5.74,2.09,;-7.07,1.32,;-7.07,-.23,;-5.74,-.99,;-8.41,2.09,;-8.41,3.64,;-9.74,4.41,;-11.07,3.64,;-11.08,2.1,;-9.74,1.33,;-1.74,1.32,;-.42,2.09,;4.92,2.11,;6.25,1.35,;6.25,-.19,;7.59,-.95,;8.92,-.18,;10.26,-.94,;11.59,-.16,;12.92,-.93,;14.25,-.16,;14.25,1.38,;12.9,2.15,;11.58,1.37,;15.57,2.16,;16.91,1.39,;18.24,2.17,;18.23,3.71,;16.9,4.47,;15.56,3.7,;8.91,1.37,;7.57,2.13,)|
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCCC2)cc1 |(35.81,.47,;34.47,1.24,;33.14,.46,;33.14,-1.09,;31.8,-1.86,;30.48,-1.09,;29.14,-1.86,;27.8,-1.09,;27.81,.45,;26.48,1.22,;25.14,.46,;25.15,-1.09,;26.48,-1.86,;23.81,1.22,;22.52,.36,;21.06,.85,;20.51,2.36,;21.28,3.62,;22.78,3.81,;23.91,2.81,;30.48,.46,;31.8,1.22,;37.14,1.25,;38.48,.48,;38.48,-1.06,;39.82,-1.82,;41.14,-1.04,;42.48,-1.81,;43.81,-1.03,;45.15,-1.8,;46.48,-1.02,;46.48,.52,;45.13,1.28,;43.8,.5,;47.81,1.29,;47.69,2.84,;48.83,3.86,;50.42,3.6,;51.13,2.3,;50.56,.9,;49.13,.42,;41.13,.5,;39.8,1.26,)|
C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1 |(16.16,-7.42,;16.14,-5.88,;17.47,-5.1,;14.79,-5.13,;13.47,-5.91,;12.13,-5.16,;12.12,-3.62,;10.78,-2.86,;9.45,-3.65,;9.46,-5.18,;8.14,-5.95,;6.81,-5.2,;5.48,-5.98,;4.15,-5.21,;2.82,-5.99,;1.48,-5.22,;.15,-6,;.15,-7.55,;-1.19,-8.32,;-2.52,-7.55,;-3.86,-8.32,;-5.19,-7.55,;-5.18,-6,;-6.52,-5.24,;-7.85,-6,;-7.84,-7.55,;-6.52,-8.32,;-9.18,-5.24,;-9.18,-3.7,;-10.52,-6,;-2.52,-6,;-1.19,-5.23,;6.79,-3.67,;8.1,-2.89,;13.43,-2.83,;14.77,-3.58,)|
C(CCc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(34.84,-6.91,;36.16,-6.14,;37.5,-6.9,;38.82,-6.12,;40.16,-6.88,;41.48,-6.1,;41.47,-4.57,;42.79,-3.78,;44.14,-4.54,;44.15,-6.08,;45.49,-6.83,;46.81,-6.05,;46.79,-4.51,;45.45,-3.75,;48.16,-6.81,;48.34,-8.33,;49.85,-8.63,;50.61,-7.29,;49.56,-6.16,;40.12,-3.81,;38.8,-4.59,;33.5,-6.15,;32.17,-6.92,;32.17,-8.47,;30.83,-9.24,;29.49,-8.47,;28.16,-9.24,;26.82,-8.47,;26.83,-6.93,;25.5,-6.16,;24.17,-6.92,;24.17,-8.47,;25.5,-9.24,;22.83,-6.16,;22.67,-4.62,;21.16,-4.3,;20.39,-5.63,;21.42,-6.78,;29.5,-6.92,;30.83,-6.16,)|
C(CCc1ccc(Cn2ccc(cc2)=[NH+]C2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[NH+]C2CCCCC2)cc1 |(2.29,-14.56,;3.62,-13.79,;4.95,-14.55,;6.27,-13.77,;7.6,-14.53,;8.92,-13.75,;8.91,-12.22,;10.24,-11.44,;11.58,-12.19,;11.59,-13.73,;12.93,-14.49,;14.26,-13.7,;14.24,-12.16,;12.9,-11.41,;15.59,-14.46,;16.92,-13.67,;18.25,-14.43,;19.58,-13.65,;19.57,-12.11,;18.22,-11.36,;16.89,-12.14,;7.57,-11.47,;6.25,-12.25,;.95,-13.8,;-.38,-14.57,;-.37,-16.12,;-1.71,-16.9,;-3.04,-16.12,;-4.38,-16.9,;-5.71,-16.12,;-5.7,-14.58,;-7.03,-13.82,;-8.36,-14.58,;-8.36,-16.13,;-7.03,-16.9,;-9.7,-13.82,;-9.7,-12.27,;-8.37,-11.5,;-8.36,-9.97,;-9.7,-9.19,;-11.03,-9.96,;-11.04,-11.5,;-3.04,-14.58,;-1.71,-13.81,)|
C(c1ccc(\C=C\c2ccc(Cn3ccc(cc3)=[N+]3CCCCC3)cc2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(42.03,-10.59,;40.7,-11.37,;40.7,-12.91,;39.37,-13.68,;38.04,-12.91,;36.71,-13.68,;35.38,-12.92,;34.05,-13.69,;32.71,-12.93,;31.38,-13.7,;31.38,-15.24,;30.04,-16.02,;28.71,-15.24,;28.72,-13.7,;27.39,-12.94,;26.05,-13.7,;26.05,-15.25,;27.39,-16.01,;24.72,-12.94,;24.73,-11.4,;23.4,-10.62,;22.06,-11.39,;22.06,-12.93,;23.4,-13.71,;32.71,-16.02,;34.05,-15.24,;38.03,-11.38,;39.35,-10.6,;43.37,-11.36,;43.37,-12.89,;44.7,-13.65,;46.04,-12.88,;46.02,-11.33,;44.69,-10.57,;47.37,-13.63,;47.37,-15.17,;48.7,-15.94,;50.04,-15.16,;50.03,-13.62,;48.69,-12.85,)|
Cc1cn(Cc2cccc(c2)-c2cccc(Cn3cc(C)c(=[NH2+])c4ccccc34)c2)c2ccccc2c1=[NH2+]
[NH2+]=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=[NH2+])c5ccccc45)cc3)cc2)c2ccccc12
C(c1cccc(c1)-c1cccc(C[N+]23CCC(CC2)CC3)c1)[N+]12CCC(CC1)CC2
OC1C[N+]2(Cc3cccc(c3)-c3cccc(C[N+]45CCC(CC4)C(O)C5)c3)CCC1CC2 |(-10.25,-32.16,;-8.92,-31.39,;-7.59,-32.15,;-6.27,-31.39,;-4.72,-31.4,;-3.96,-32.74,;-4.74,-34.06,;-3.98,-35.4,;-2.44,-35.41,;-1.67,-34.07,;-2.43,-32.74,;-.13,-34.07,;.64,-35.41,;2.18,-35.41,;2.96,-34.08,;2.18,-32.73,;2.95,-31.4,;4.49,-31.39,;4.49,-29.85,;5.82,-29.08,;7.15,-29.85,;5.6,-29.85,;5.97,-30.99,;7.15,-31.39,;8.48,-32.17,;5.82,-32.16,;.64,-32.74,;-6.27,-29.85,;-7.59,-29.07,;-8.92,-29.85,;-7.05,-30.05,;-7.81,-31.39,)|
OC1C[N+]2(Cc3ccc(CCc4ccc(C[N+]56CCC(CC5)C(O)C6)cc4)cc3)CCC1CC2
OC1C[N+]2(Cc3ccc(C=Cc4ccc(C[N+]56CCC(CC5)C(O)C6)cc4)cc3)CCC1CC2
C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)cc4)c3)cc2
C1N[c+]2ccn(Cc3ccc(Cn4cc[c+](NCc5cccc1c5)cc4)cc3)cc2
C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(Cc2cc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)cc(Cn3ccc(cc3)=[N+](C)c3cc(Cl)cc(Cl)c3)c2)cc1 |(-5.83,.54,;-5.84,2.08,;-7.17,2.84,;-7.17,4.38,;-8.5,5.15,;-8.5,6.69,;-9.84,4.38,;-9.83,2.83,;-11.16,2.05,;-8.5,2.07,;-4.5,2.85,;-4.5,4.39,;-3.17,5.16,;-1.84,4.39,;-.5,5.16,;.83,4.39,;2.16,5.16,;3.49,4.39,;4.82,5.17,;6.16,4.4,;6.16,2.87,;7.5,2.1,;8.83,2.88,;8.82,4.43,;7.48,5.18,;10.17,2.12,;10.17,.58,;11.5,2.89,;11.48,4.42,;12.81,5.2,;12.79,6.74,;14.15,4.44,;14.16,2.9,;15.5,2.14,;12.83,2.12,;3.5,2.84,;2.16,2.07,;2.16,.53,;.83,-.24,;-.5,.54,;-1.83,-.23,;-1.83,-1.77,;-.49,-2.54,;.84,-1.77,;-3.17,-2.54,;-4.5,-1.77,;-3.16,-4.08,;-4.5,-4.85,;-4.5,-6.39,;-5.83,-7.16,;-3.17,-7.16,;-1.83,-6.38,;-.49,-7.14,;-1.84,-4.84,;.83,2.84,;-1.83,2.85,;-3.16,2.08,)|
Cc1c2Cn3cc[c+](NCc4cc5CNc6cc[n+](Cc(c2C)c(C)c1Cn1cc[c+](NCc(c5)c4)cc1)cc6)cc3
CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
CCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
Nc1cnccc1NC(=O)OCc1ccc(OC(=O)C2CCCC2)cc1
Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1
CC(C)C(=O)OCCOC(=O)Nc1ccncc1N
COC(=O)Nc1ccncc1NC(=O)OC
CC(=O)Nc1ccncc1N
CC(C)OC(=O)CCC(=O)Nc1ccncc1N
Nc1cnccc1NC(=O)OCc1ccc(OC(=O)c2ccccc2)cc1
COc1cccc(c1)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1
CC(C)C(=O)OCc1ccccc1COC(=O)Nc1ccncc1N
COC(=O)Nc1cnccc1N
COC(=O)Nc1ccncc1N
CC(=O)Nc1ccncc1NC(C)=O
Nc1cnccc1NC(=O)c1ccccc1
Nc1cnccc1NC(=O)C1CCCC1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1ccccc1O
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccccc1O
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCc1cccc(O)c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1cccc(O)c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1cccc(O)c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOc1ccc(O)cc1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccc(O)cc1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCC(=O)NCCc1c[nH]c2ccccc12
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCC(=O)NCCc1c[nH]c2ccc(C)cc12
COc1ccc2[nH]cc(CCNC(=O)CCOc3c(OC)ccc4cc5-c6cc7OCOc7cc6CC[n+]5cc34)c2c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCOC(=O)\C=C\c1ccc(O)c(OC)c1
COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCCCCOc1ccccc1
CCCCNC(=O)OC1C2CC3CC(C2)CC1C3 |TLB:17:16:14:11.10.12,THB:7:8:11.10.17:13.14.15,7:8:14:11.10.12,17:11:14:8.16.15,12:11:8:13.14.15,12:13:8:11.10.17,(17.66,-10.86,;16.38,-11.71,;14.99,-11.05,;13.7,-11.91,;12.31,-11.24,;11.02,-12.1,;11.12,-13.65,;9.64,-11.42,;8.15,-11.83,;6.74,-11.24,;5.68,-12.48,;5.71,-14.08,;4.2,-14.49,;5.4,-13.21,;5.39,-11.73,;6.72,-13.7,;8.15,-13.37,;7.11,-14.64,)|
CCCCNC(=O)OC12CC3CC(CC(C3)C1)C2 |TLB:17:8:15:12.11.13,THB:7:8:15:12.11.13,16:8:11:14.15.13,16:14:8.9.17:11,17:12:8.9.16:15|
CC[N+](C)(C)c1cccc(c1)O
CCCCNC(=O)OC1C[C@H]2CCC1C2 |THB:7:8:14:12.11|
C\C=C1/[C@@H]2Cc3[nH]c(=O)ccc3[C@]1(N)CC(C)=C2 |r,c:18,TLB:1:2:11.5.4:17.14.15|
O=c1ccc2C(CCCc2[nH]1)NCCCCNc1c2CCCCc2nc2ccccc12
O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCNc1c2CCCCc2nc2ccccc12
c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCCCCCCCN[C@@H]4CCCC5=C4C=CC(=O)N5
O=c1ccc2C(CCCc2[nH]1)NCCCCCCCNc1c2CCCCc2nc2ccccc12
O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCNc1c2CCCCc2nc2ccccc12
O=c1ccc2C(CCCc2[nH]1)NCCCCCCNc1c2CCCCc2nc2ccccc12
O=c1ccc2C(CCCc2[nH]1)NCCCCCCCCCCCCNc1c2CCCCc2nc2ccccc12
O=c1ccc2C(CCCc2[nH]1)NCCCCCNc1c2CCCCc2nc2ccccc12
[#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccccc3Cl)-c2ccc1=O
CCCn1c2CCCC(NCCc3ccc(Cl)c(Cl)c3)c2ccc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)cc3Cl)-c2ccc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(F)c(F)c3)-c2ccc1=O
[#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(c3)C(F)(F)F)-c2ccc1=O
[#6]-[#8]-c1cccc(-[#6]-[#6]-[#7]-[#6]-2-[#6]-[#6]-[#6]-c3c-2ccc(=O)n3-[#6]\[#6]=[#6](/[#6])-[#6])c1
[#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(-[#8])cc3)-c2ccc1=O
[#6]\[#6](-[#6])=[#6]/[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3cccc(Cl)c3)-c2ccc1=O
[#6]\[#6](-[#6])=[#6]\[#6]-n1c2-[#6]-[#6]-[#6]-[#6](-[#7]-[#6]-[#6]-c3ccc(Cl)c(Cl)c3)-c2ccc1=O
CN(C)C(=O)Oc1cccnc1CO
CN(C)C(=O)Oc1ccc[n+](C)c1
CN(C)C(=O)Oc1ccc[n+](C)c1COC(=O)C(C)(c1ccccc1)c1ccccc1
CN(C)C(=O)OC1=CCCN(C)C1COC(=O)C(C)(c1ccccc1)c1ccccc1 |t:6|
CN(C)C(=O)Oc1cccnc1COC(=O)C(C)(c1ccccc1)c1ccccc1
CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1
COc1cc2CC(Oc3ccc(CN4CCCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(c3)C(C)N3CCOCC3)C(=O)c2cc1OC
CCN(CC)Cc1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2CC(Oc3ccc(cc3)C(C)N3CCOCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(c3)C(C)N3CCCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(CN4CCOCC4)c3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(c3)C(C)N3CCN(C)CC3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(C)N(C)C)C(=O)c2cc1OC
CCN(CC)C(C)c1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
CCN(CC)Cc1ccc(OC2Cc3cc(OC)c(OC)cc3C2=O)cc1
COc1cc2CC(Oc3cccc(CN4CCN(C)CC4)c3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(CN4CCCCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(CN(C)C)c3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(c3)C(C)N(C)C)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(CN4CCOCC4)cc3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(CN4CCCC4)c3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(CN4CCN(C)CC4)cc3)C(=O)c2cc1OC
CCN(CC)C(C)c1cccc(OC2Cc3cc(OC)c(OC)cc3C2=O)c1
COc1cc2CC(Oc3ccc(CN(C)C)cc3)C(=O)c2cc1OC
COc1cc2CC(Oc3ccc(cc3)C(C)N3CCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(c3)C(C)N3CCCC3)C(=O)c2cc1OC
COc1cc2CC(Oc3cccc(CN4CCCCC4)c3)C(=O)c2cc1OC
CC[N+](C)(CC)CCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Nc1ccc2c(c1)c(-c1ccccc1)n(CCCNCCCNCCCNc1c3CCCCc3nc3ccccc13)c1cc(=[NH2+])ccc21
COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
CC[N+](C)(CC)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
O=C(CCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
OCCNCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
CN(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
C[N+](C)(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
CN(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
C[N+](C)(C)CC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
O=C(CCCN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
CN(C)CCNCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
C[N+]1(CCCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
C[N+](C)(C)CCCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
C[N+]1(CC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
CCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
O=C(CN1CCCC1)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
C[N+]1(CCC(=O)Nc2ccc-3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1
CN(C)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1
CCCCCCCCCCC(=O)C(F)(F)F
CCCCCCCCSCC(=O)C(F)(F)F
NCCCNc1c2CCCCc2nc2ccccc12
NCCCCCNc1c2CCCCc2nc2ccccc12
NCCCCNc1c2CCCCc2nc2ccccc12
COc1cc(\C=C\C(=O)NCCCCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
COc1cc(\C=C\C(=O)NCCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
COc1cc(\C=C\C(=O)NCCCNc2c3CCCCc3nc3ccccc23)ccc1O
COc1cc(\C=C\C(=O)NCCNc2c3CCCCc3nc3ccccc23)ccc1O
NCCNc1c2CCCCc2nc2ccccc12
COc1cc(\C=C\C(=O)NCCCCNc2c3CCCCc3nc3ccccc23)ccc1O
C(CCCCN=C1C2CCCCC2Nc2ccccc12)CCCNC1CCNC2CCCCC12 |w:5.4|
[#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
[#6]-[#8]-c1ccc(cc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
[#6]-[#8]-c1cc(ccc1-[#8])-[#6@H]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
[#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#8]-c2cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2-[#6](=O)-[#6@@H]-1-[#8] |r|
[#6]-[#8]-c1ccc(cc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
[#6]-[#8]-c1cc(ccc1-[#8])-[#6@@H]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1 |r|
[#6]-[#8]-c1c(-[#8])cc(cc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1 |r|
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])c(-[#8])c1 |r|
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(cc(cc3O2)O)O
c1cc(c(cc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O)O
Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
CNCc1cc2cc(OCc3ccccc3)ccc2n1C
CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
CN(CC=C=C)Cc1cc2cc(OCc3ccccc3)ccc2n1C
C#CC[NH2+]Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
CN(CC#C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
CC#CCN(C)Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
Nc1c2CN(CC#C)CCc2nc2ccccc12
Nc1c2CN(CC#C)CCc2nc2nc(Cl)c(cc12)C#N
COc1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
CN(C)c1nc2nc3CCN(CC#C)Cc3c(N)c2cc1C#N
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N
Nc1c2CN(CC#C)CCc2nc2nc(N3CCCCC3)c(cc12)C#N
CN1CCC2(CC=C)C1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21
CN1CCC2(CC=C)C1N(C)c1ccc(OC(=O)Nc3ccc(F)cc3)cc21
CCCC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
CN1CCC2(C=C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
CN1CCC2(CC=C)C1N(C)c1ccc(OC(=O)Nc3ccccc3F)cc21
CCC12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
CCC(C)(C)C12CCN(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21
CN1CC[C@@]2(CC=C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
CN1C2N(C)c3ccc(OC(=O)Nc4ccccc4)cc3C2(CC=C)CC1=O
CN1CC[C@]2(C=C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
CC[C@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
CCC(C)(C)[C@@]12CCN(C)[C@@H]1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
CN1CC[C@]2(C)C1N(C)c1ccc(OC(=O)Nc3ccccc3)cc21 |r|
CC(C)c1ccc(NC(=O)Oc2ccc3N(C)C4N(C)CCC4(CC=C)c3c2)cc1
COc1ccc(cc1)[C@@H]1N(Oc2c(O)n(c(O)c12)-c1ccc(cc1)C(O)=O)c1ccc(C)cc1 |r|
CCN(C)C(=O)Oc1cccc2NCC(CCN)c12
CCN(C)C(=O)Oc1ccc2CCN(CCC(=O)OC)c2c1
CCN(C)C(=O)Oc1ccc2CCN(C)c2c1
CCN(C)C(=O)Oc1cccc2N(CCC(=O)OC)CCc12
CCN(C)C(=O)Oc1cccc2NCCc12
CN(C)C(=O)Oc1cccc2NCCc12
CCN(C)C(=O)Oc1cccc2C(CCC(=O)OC)CNc12
COC(=O)CCC1CN(C)c2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
COC(=O)CCC1CNc2cc(OC(=O)N(C)c3ccc(OC)cc3)ccc12
CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CN(C)c2c1
CCCCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
CCN(C)C(=O)Oc1ccc2C(CCC(O)=O)CNc2c1
CCN(C)C(=O)Oc1ccc2C(CCC(=O)OC)CNc2c1
COc1ccc(cc1)N(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12
COC(=O)CCC1CN(C)c2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12
COc1ccc(cc1)N(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12
COC(=O)CCC1CNc2cccc(OC(=O)N(C)c3ccc(OC)cc3)c12
CCCCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
CCN(C)C(=O)Oc1cccc2NCC(CCC(N)=O)c12
CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(O)=O)c12
CCN(C)C(=O)Oc1cccc2NCC(CCC(O)=O)c12
CCOC(=O)CCC1CNc2cccc(OC(=O)N(C)CC)c12
CCN(C)C(=O)Oc1cccc2N(C)CC(CCC(=O)OC)c12
CCN(C)C(=O)Oc1cccc2NCC(CCC(=O)OC)c12
CCN(C)C(=O)Oc1cccc2[nH]cc(CCC(=O)OC)c12
CCCCCCOCC(C)=O
CCCCCCCCC(=O)C(F)(F)F
CCCCCCCCC(=O)C(F)F
CCCCCCS(=O)(=O)CC(C)=O
CCCCCC[Se](=O)(=O)CC(=O)C(F)(F)F
CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCS(=O)CC(=O)C(F)(F)F
CCCCCC[Se](=O)CC(C)=O
CCCCCCCC(F)(F)C(=O)C(F)(F)F
CCCCCCNCC(=O)C(F)(F)F
CCCCCC[Se](=O)(=O)CC(C)=O
CCCCCCCCC(=O)CF
CCCCCC[Se]CC(C)=O
CCCCCCSCC(=O)C(F)(F)F
CCCCCCC#CC(=O)C(F)(F)F
CCCCCCC=CC(=O)C(F)(F)F |w:6.5|
CCCCCCSCC(C)=O
CCCCCCCCC(C)=O
CCCCCCOCC(=O)C(F)(F)F
CCCCCC[Se](=O)CC(=O)C(F)(F)F
CCCCCC[Se]CC(=O)C(F)(F)F
CNC(=O)Oc1cccc(C)c1
CNC(=O)Oc1ccccc1
CNC(=O)Oc1cccc(OCCCCOc2cccc(c2)[N+]([O-])=O)c1
CNC(=O)Oc1cccc(OCCCCOc2ccccc2[N+]([O-])=O)c1
CNC(=O)Oc1cccc(OCCCCOc2ccc(cc2)[N+]([O-])=O)c1
CNC(=O)Oc1cccc(OCCCOc2ccc(cc2)[N+]([O-])=O)c1
CNC(=O)Oc1cccc(OCCCCOc2ccc(cc2)C(F)(F)F)c1
CNC(=O)Oc1cccc(OCCCOc2ccc(cc2)C(F)(F)F)c1
C[N+](C)(CCCCCC[N+](C)(C)C1c2ccccc2-c2ccccc12)C1c2ccccc2-c2ccccc12
C(CCC[n+]1c2ccccc2cc2ccccc12)CC[n+]1c2ccccc2cc2ccccc12
C(CCC[n+]1cc2ccccc2c2ccccc12)CC[n+]1cc2ccccc2c2ccccc12
C(CCC[n+]1cccc2c1ccc1ccccc21)CC[n+]1cccc2c1ccc1ccccc21
C(c1ccc(C[n+]2cc3ccccc3c3ccccc23)cc1)[n+]1cc2ccccc2c2ccccc12
C[n+]1cc2ccccc2c2ccccc12
CCC[n+]1cc2ccccc2c2ccccc12
CC(C)[n+]1cc2ccccc2c2ccccc12
CCCCCC[n+]1cc2ccccc2c2ccccc12
C(c1ccccc1)[n+]1cc2ccccc2c2ccccc12
C(C[n+]1cc2ccccc2c2ccccc12)c1ccccc1
OCC[n+]1cc2ccccc2c2ccccc12
OC(=O)C[n+]1cc2ccccc2c2ccccc12
C[n+]1cccc2c1ccc1ccccc21
C(c1ccccc1)[n+]1cccc2c1ccc1ccccc21
C(C[n+]1cccc2c1ccc1ccccc21)c1ccccc1
OCC[n+]1cccc2c1ccc1ccccc21
C[n+]1cccc2ccc3ccccc3c12
OCC[n+]1cccc2ccc3ccccc3c12
C[n+]1c2ccccc2cc2ccccc12
OCC[n+]1c2ccccc2cc2ccccc12
CC(=O)OCC[n+]1ccccc1
CC(=O)OCC[n+]1cc2ccccc2c2ccccc12
CC(=O)OCC[n+]1cccc2c1ccc1ccccc21
C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1
C(CCC[n+]1ccccc1)CC[n+]1ccccc1
CC(=O)OCC[n+]1c2ccccc2cc2ccccc12
COc1ccc(CN2CCOCC2)cc1OC(=O)N(C)C
COc1ccc(CN2CCCC2)cc1OC(=O)N(C)C
CCN(CC)Cc1ccc(OC)c(OC(=O)N(C)C)c1
COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCCC1
COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCOCC1
COc1ccc(cc1OC(=O)N(C)C)C(C)N1CCCC1
CCN(CC)C(C)c1ccc(OC)c(OC(=O)N(C)C)c1
COc1cc(CN2CCCCC2)ccc1OC(=O)N(C)C
COc1cc(CN2CCOCC2)ccc1OC(=O)N(C)C
COc1cc(CN2CCCC2)ccc1OC(=O)N(C)C
CCN(CC)Cc1ccc(OC(=O)N(C)C)c(OC)c1
COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCCC1
COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCOCC1
COc1cc(ccc1OC(=O)N(C)C)C(C)N1CCCC1
CCN(CC)C(C)c1ccc(OC(=O)N(C)C)c(OC)c1
COc1cccc(CN2CCCCC2)c1OC(=O)N(C)C
COc1ccc(CN2CCCCC2)cc1OC(=O)N(C)C
c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2
Fc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
Fc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1cccc(F)c1-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(c(F)c1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1cc(F)cc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(cc1F)-c1cc(=O)c2ccc3ccccc3c2o1
Clc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Brc1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
Brc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Brc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Ic1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
[O-][N+](=O)c1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
[O-][N+](=O)c1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)c(c1)C(F)(F)F
Fc1cc(ccc1-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
Fc1ccc(c(c1)-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
Fc1cc(cc(c1)C(F)(F)F)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(cc1C(F)(F)F)-c1cc(=O)c2ccc3ccccc3c2o1
ClCc1cccc(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1ccc(F)c(c1)-c1cc(=O)c2ccc3ccccc3c2o1
Clc1cccc(c1Cl)-c1cc(=O)c2ccc3ccccc3c2o1
Ic1ccccc1-c1cc(=O)c2ccc3ccccc3c2o1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)-c1cc(=O)c2ccc3ccccc3c2o1
Fc1cccc(c1-c1cc(=O)c2ccc3ccccc3c2o1)C(F)(F)F
ClCc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1