387 SMILES Strings for Nischarin

Compound Name
SMILES String
Br.C(Oc1cccc2ccn(CC3=NCCN3)c12)c1ccccc1 |t:11|
Br.COc1cccc2ccn(CC3=NCCN3)c12 |t:11|
Br.Cc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Brc1cccc2c3CCNCc3[nH]c12
Brc1cccc2n[nH]c(N=C3NCCN3)c12 |(7.5,-1.88,;7.54,-.35,;6.23,.46,;6.27,2,;7.62,2.73,;8.94,1.93,;10.41,2.36,;11.29,1.09,;10.35,-.13,;11.16,-1.45,;12.69,-1.42,;13.57,-.15,;15.05,-.59,;15.08,-2.13,;13.62,-2.64,;8.9,.39,)|
C(C(c1ccccc1)c1ccccc1)C1=NCCN1 |t:16|
C(C1=NCCN1)c1cccc2ccccc12 |t:1|
C(C1=NCCN1)n1c(nc2ccccc12)-c1ccccc1 |t:1|
C(C1=NCCN1)n1cnc2ccccc12 |t:1|
C(C1=NCCN1)n1ncc2ccccc12 |t:1|
C(C1=NCCN1)n1nnc2ccccc12 |t:1|
C(CC1=NCCN1)C1CCCCC1 |t:2|
C(Cc1ccc[nH]1)C1=NCCN1 |t:8|
C(Cc1cccc2ccccc12)C1=NCCN1 |t:14|
C(Cc1ccccc1)C1=NCCN1 |t:9|
C(Cc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
C(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:15|
C(Cc1cccnc1)C1=NCCN1 |t:9|
C(Cc1cccs1)C1=NCCN1 |t:8|
C(N1CC(Oc2ccccc12)C1=NCCN1)c1ccccc1 |t:13|
C(Nc1ccccc1)C1=NCCN1 |t:9|
C(Nc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
C(Oc1ccc2ccccc2c1)C1=NCCN1 |t:14|
C(Oc1cccc2ccccc12)C1=NCCN1 |t:14|
C(Oc1ccccc1)C1=NCCN1 |t:9|
C(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:16|
C(Oc1ccccc1C1CC1)C1=NCCN1 |t:13|
C(Oc1ccccc1Cc1ccccc1)C1=NCCN1 |t:17|
C(Sc1ccccc1)C1=NCCN1 |t:9|
C(c1nc2ccccc2n1CC1=NCCN1)c1ccccc1 |t:13|
C1C(C1c1ccccc1)C1=NCCN1 |t:11|
C1CC1C(NC1=NC2CCCCC2C1)C1CC1 |t:6|
C1CC1C(NC1=NCCC1)C1CC1 |t:6|
C1CC1C(NC1=NCCO1)C1CC1 |t:6|
C1CC1C(NC1=[NH+]CCO1)C1CC1 |t:6|
C1CN=C(N1)C1=Cc2ccccc2CC1 |c:2,t:6|
C1CN=C(N1)C1=Cc2ccccc2OC1 |c:2,t:6|
C1CN=C(N1)C1CCCCCC1 |c:2|
C1CN=C(N1)C1CN2CCCCc3cccc(O1)c23 |c:2|
C1CN=C(N1)C1CN2CCCc3cccc(O1)c23 |c:2|
C1CN=C(N1)C1CN2CCc3cccc(O1)c23 |c:2|
C1CN=C(N1)C1CNc2ccccc2O1 |c:2|
C1CN=C(N1)C1COc2ccccc2C1 |c:2|
C1CN=C(N1)C1COc2ccccc2O1 |c:2|
C1CN=C(N1)C1CSc2ccccc2O1 |c:2|
C1CN=C(N1)C1Cc2c(O1)ccc1ccccc21 |c:2|
C1CN=C(N1)C1Cn2ccc3cccc(O1)c23 |c:2|
C1CN=C(N1)C1OCc2ccccc2O1 |c:2|
C1CN=C(N1)C1Oc2ccccc2O1 |c:2|
C1CN=C(N1)C1c2ccccc2Oc2ccccc12 |c:2|
C1CN=C(N1)\C=C\c1ccccc1 |c:2|
C1CN=C(N1)\C=C\c1ccccc1-c1ccccc1 |c:2|
C1CN=C(N1)c1c2ccccc2cc2ccccc12 |c:2|
C1CN=C(N1)c1cc2c(ccc3ccccc23)o1 |c:2|
C1CN=C(N1)c1cc2ccccc2c2ccccc12 |c:2|
C1CN=C(N1)c1cc2ccccc2o1 |c:2|
C1CN=C(N1)c1ccc(Oc2ccccc2)cc1 |c:2|
C1CN=C(N1)c1ccc(cc1)-c1ccccc1 |c:2|
C1CN=C(N1)c1ccc2OCOc2c1 |c:2|
C1CN=C(N1)c1ccc2[nH]ccc2c1 |c:2|
C1CN=C(N1)c1ccc2ccccc2c1 |c:2|
C1CN=C(N1)c1ccc2ccccc2n1 |c:2|
C1CN=C(N1)c1cccc(c1)-c1ccccc1 |c:2|
C1CN=C(N1)c1cccc2ccccc12 |c:2|
C1CN=C(N1)c1ccccc1 |c:2|
C1CN=C(N1)c1ccccc1-c1ccccc1 |c:2|
C1CN=C(N1)c1ccccn1 |c:2|
C1CN=C(N1)c1cccnc1 |c:2|
C1CN=C(N1)c1ccco1 |c:2|
C1CN=C(N1)c1cccs1 |c:2|
C1CN=C(N1)c1ccncc1 |c:2|
C1CN=C(N1)c1cnc2ccccc2c1 |c:2|
C1CN=C(N1)c1cnccn1 |c:2|
C1CNC(=NC1)c1ccccc1 |c:3|
C1CNC(N1)=Nc1[nH]nc2ccccc12 |(1.21,-.87,;1.24,-2.41,;-.21,-2.92,;-1.14,-1.7,;-.27,-.43,;-2.68,-1.73,;-3.49,-.41,;-2.55,.82,;-3.42,2.08,;-4.9,1.65,;-6.21,2.45,;-7.56,1.72,;-7.61,.18,;-6.29,-.63,;-4.93,.11,)|
C1Cc2c(CN1)[nH]c1ccccc21
C1Oc2ccccc2OC1c1ncc[nH]1
C=CCc1ccccc1NCC1=NCCN1 |t:12|
C=CCc1ccccc1OCC1=NCCN1 |t:12|
C=CCc1ccccc1\C=C\C1=NCCN1 |t:12|
CC(=O)NCC[C@@H]1CNC(N)=N1 |r,c:10|
CC(=O)NCC[C@H]1CNC(N)=N1 |r,c:10|
CC(=O)NCC[C@H]1CNC=N1 |r,c:9|
CC(=O)Nc1ccc(cc1)C1=NCCN1 |t:11|
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1=NCCN1 |t:16|
CC(C)(C)c1ccc(cc1)C1=NCCN1 |t:11|
CC(C)(C)c1ccccc1OCC1=NCCN1 |t:13|
CC(C)C1C2CCC(C2)C1N |TLB:10:9:8:5.6,THB:1:3:8:5.6|
CC(C)Oc1ccccc1OC(C)C1=NCCN1 |t:14|
CC(C)Oc1ccccc1OCC1=NCCN1 |t:13|
CC(C)c1ccc(cc1)C1=NCCN1 |t:10|
CC(C)c1ccccc1OC(C)C1=NCCN1 |t:13|
CC(C)c1ccccc1OCC1=NCCN1 |t:12|
CC(CC1=NCCN1)c1ccccc1 |t:3|
CC(Cc1ccccc1)C1=NCCN1 |t:10|
CC(Cc1ccccc1-c1cccc(O)c1)C1=NCCN1 |t:18|
CC(Cc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
CC(Cc1ccccc1-c1cccnc1)C1=NCCN1 |t:17|
CC(Cc1ccccc1-c1ccsc1)C1=NCCN1 |t:16|
CC(Cc1ccccc1C)C1=NCCN1 |t:11|
CC(Cc1ccccc1Cl)C1=NCCN1 |t:11|
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |t:12|
CC(Oc1ccccc1)C1=NCCN1 |t:10|
CC(Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
CC(Oc1ccccc1C)C1=NCCN1 |t:11|
CC1=NCCc2c1[nH]c1ccccc21 |t:1|
CC1=N[C@@H](CCN)CN1 |r,t:1|
CC1CC(NC(C2CC2)C2CC2)=NC1C |c:13|
CC1CCC(N1)=Nc1ccc(I)cc1Cl |w:6.7|
CC1CCC(N1)=Nc1ccccc1Cl |w:6.7|
CC1CCC(NC(C2CC2)C2CC2)=N1 |c:14|
CC1CCC(Nc2cc(N[N+]#N)c(I)cc2Cl)=N1 |c:17|
CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1 |c:17|
CC1CCC(Nc2cccc3CCCc23)=N1 |c:16|
CC1CCC(Nc2ccccc2Cl)=N1 |c:13|
CC1CCN=C1NC(C1CC1)C1CC1 |c:4|
CC1CC\C(N1)=N/c1cc(N=[N+]=[N-])c(I)cc1Cl
CC1CN=C(C1)NC(C1CC1)C1CC1 |c:3|
CC1CN=C(C1)Nc1ccc(C)c2CCCc12 |c:3|
CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12 |c:3|
CC1CN=C(C1)Nc1cccc(Cl)c1C |c:3|
CC1CN=C(N1)c1ccc(C)cc1 |c:3|
CC1CN=C(N1)c1cccc(C)c1 |c:3|
CC1CN=C(N1)c1ccccc1 |c:3|
CC1CNC(N1)=Nc1c(Cl)cccc1Cl |w:6.7|
CC1COC(N1)=NC(C1CC1)C1CC1 |w:6.7|
CCC(=O)N(CCCCCCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
CCC(=O)N(CCCCNC(N)=N)C1CCN(CCc2ccccc2)CC1
CCC(C)c1ccccc1OCC1=NCCN1 |t:13|
CCC1(Cc2ccccc2O1)C1=NCCN1 |t:13|
CCC1(Cc2ccccc2O1)C1=NC[C@@H](CCN)N1 |r,t:13|
CCC1(Cc2ccccc2O1)C1=NC[C@H](CCN)N1 |r,t:13|
CCC1(Cc2ccccc2O1)C1=[NH+]CCN1 |t:13|
CCC1CCC(NC(C2CC2)C2CC2)=N1 |c:15|
CCCC1(CN(C)c2ccccc2O1)C1=NCCN1 |t:16|
CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1
CCCCc1ccc(cc1)C1=NCCN1 |t:11|
CCCN1CC(Oc2ccccc12)C1=NCCN1 |t:15|
CCCN1CCC[C@H](C1)c1cccc(O)c1
CCCc1ccc(cc1)C1=NCCN1 |t:10|
CCCc1ccccc1NCC1=NCCN1 |t:12|
CCCc1ccccc1OCC1=NCCN1 |t:12|
CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC
CCOCc1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:17|
CCOP(=O)(OCC)C1(Cc2ccccc2)N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:17|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C)C2=O)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C1CCCCC1)C2=O)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccc(cc1)-c1ccccc1)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1cccc(c1)[N+]([O-])=O)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(C2=O)c1ccccc1)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(CCc1ccccc1)C2=O)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1(N=CC2C1C(=O)N(Cc1ccccc1)C2=O)c1ccccc1 |c:9|
CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C)C2=O |c:9|
CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C1CCCCC1)C2=O |c:9|
CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(F)c(Cl)c1 |c:9|
CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccc(OC)cc1 |c:9|
CCOP(=O)(OCC)C1N=CC2C1C(=O)N(C2=O)c1ccccc1 |c:9|
CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
CCc1ccc(cc1)C1=NCCN1 |t:9|
CCc1cccc(c1)C1=NCCN1 |t:9|
CCc1ccccc1OCC1=NCCN1 |t:11|
CCc1nc2cc(C)c(C)cc2n1CC1=NCCN1 |t:16|
CCc1nc2ccccc2n1CC1=NCCN1 |t:14|
CCn1ccnc1C1COc2ccccc2O1
CN(C)C(CN)c1ccccc1Cl
CN(C)CC[C@H]1CNC(N)=N1 |r,c:9|
CN(C)CC[C@H]1CNC=N1 |r,c:8|
CN1C(=O)C(C)(Oc2ccccc12)C1=NCCN1 |t:15|
CN1CC(C)(Oc2ccccc12)C1=NCCN1 |t:14|
CN1CC(Oc2c(C)cc(C)cc12)C1=NCCN1 |t:15|
CN1CC(Oc2c(C)cccc12)C1=NCCN1 |t:14|
CN1CC(Oc2c1ccc1ccccc21)C1=NCCN1 |t:18|
CN1CC(Oc2cc(C)c(C)cc12)C1=NCCN1 |t:15|
CN1CC(Oc2cc(C)ccc12)C1=NCCN1 |t:14|
CN1CC(Oc2cc3CCCCc3cc12)C1=NCCN1 |t:18|
CN1CC(Oc2cc3ccccc3cc12)C1=NCCN1 |t:18|
CN1CC(Oc2ccc(C)cc12)C1=NCCN1 |t:14|
CN1CC(Oc2ccc(CO)cc12)C1=NCCN1 |t:15|
CN1CC(Oc2ccc(Cl)cc12)C1=NCCN1 |t:14|
CN1CC(Oc2ccc(F)cc12)C1=NCCN1 |t:14|
CN1CC(Oc2ccc(cc12)C(F)(F)F)C1=NCCN1 |t:17|
CN1CC(Oc2cccc(C)c12)C1=NCCN1 |t:14|
CN1CC(Oc2ccccc12)C1=NCCN1 |t:13|
CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|
CNC(C)Cc1ccc2OCOc2c1
CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
COC(=O)c1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:17|
COC1=NC(C)(Cl)CC=C1NC1=NCCN1 |c:8,t:2,12|
COc1cc(=O)n2CC(Oc3ccc(C)c1c23)C1=NCCN1 |t:20|
COc1cc(=O)n2CC(Oc3cccc1c23)C1=NCCN1 |t:19|
COc1ccc(NC2=NC[C@H](CCN)N2)cc1 |r,t:7|
COc1ccc(cc1)C1=NCCN1 |t:9|
COc1ccc2OC(CN(C)c2c1)C1=NCCN1 |t:15|
COc1ccc2c(c1)[nH]c1c(C)nccc21
COc1ccc2c3CCNCc3[nH]c2c1
COc1ccc2cc(ccc2c1)C1=NCCN1 |t:14|
COc1ccc2ccccc2c1C1=NCCN1 |t:14|
COc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(14.75,-30.58,;16.06,-31.39,;17.41,-30.66,;17.45,-29.12,;18.8,-28.38,;20.12,-29.19,;21.59,-28.76,;22.47,-30.02,;21.53,-31.25,;22.34,-32.56,;23.87,-32.53,;24.75,-31.26,;26.22,-31.71,;26.25,-33.25,;24.8,-33.75,;20.08,-30.73,;18.72,-31.46,)|
COc1cccc(c1)C1=NCCN1 |t:9|
COc1cccc2n(CC3=NCCN3)ncc12 |t:9|
COc1cccc2n[nH]c(N=C3NCCN3)c12 |(13.29,-18.77,;14.63,-18.04,;14.68,-16.51,;13.36,-15.7,;13.41,-14.16,;14.76,-13.43,;16.07,-14.23,;17.55,-13.8,;18.42,-15.07,;17.48,-16.29,;18.29,-17.61,;19.83,-17.58,;20.71,-16.31,;22.18,-16.75,;22.21,-18.29,;20.76,-18.8,;16.04,-15.77,)|
COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1
CSCCC(N)C(O)=O
CSc1ccc(cc1)C1=NCCN1 |t:9|
CSc1ccccc1C1=NCCN1 |t:9|
C[C@@H](CC1=NCCN1)c1ccccc1 |r,t:3|
C[C@@H](Cc1ccccc1)C1=NCCN1 |r,t:10|
C[C@@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17|
C[C@@H](Cc1ccccc1C)C1=NCCN1 |r,t:11|
C[C@@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
C[C@@H]([C@H](O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
C[C@H](Cc1ccccc1-c1ccccc1)C1=NCCN1 |r,t:17|
C[C@H](Cc1ccccc1C)C1=NCCN1 |r,t:11|
C[C@H](Oc1ccccc1-c1ccccc1)C1=NCCN1 |t:17|
C[C@]12NC(Cc3ccccc13)c1ccccc21
C\C(=C/c1ccccc1)C1=NCCN1 |t:10|
Cc1c(cccc1C1=NCCN1)C#N |t:8|
Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C |t:11|
Cc1cc2ncn(CC3=NCCN3)c2cc1C |t:8|
Cc1cc2nn(CC3=NCCN3)nc2cc1C |t:7|
Cc1cc2nnn(CC3=NCCN3)c2cc1C |t:8|
Cc1ccc(F)c(c1)C1=NCCN1 |t:9|
Cc1ccc(F)cc1C1=NCCN1 |t:9|
Cc1ccc(cc1)-c1ncc[nH]1
Cc1ccc(cc1)C1=NCCCCN1 |t:8|
Cc1ccc(cc1)C1=NCCCN1 |t:8|
Cc1ccc(cc1)C1=NCCN1 |t:8|
Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1 |t:10|
Cc1ccc(cc1F)C1=NCCN1 |t:9|
Cc1ccc2OC(CN3CCCc1c23)C1=NCCN1 |t:17|
Cc1ccc2c(N=C3NCCN3)[nH]nc2c1 |(-5.95,-39.45,;-4.64,-40.25,;-4.69,-41.79,;-3.37,-42.6,;-2.01,-41.86,;-.57,-42.38,;.24,-43.7,;1.78,-43.67,;2.66,-42.4,;4.13,-42.84,;4.16,-44.38,;2.71,-44.89,;.37,-41.16,;-.5,-39.9,;-1.98,-40.32,;-3.29,-39.52,)|
Cc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
Cc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(-5.41,-29.94,;-4.06,-29.21,;-4.01,-27.67,;-2.67,-26.94,;-1.35,-27.74,;.13,-27.31,;1,-28.57,;.06,-29.8,;.87,-31.12,;2.4,-31.08,;3.28,-29.82,;4.76,-30.26,;4.79,-31.8,;3.34,-32.31,;-1.39,-29.28,;-2.75,-30.02,)|
Cc1cccc(NC2=NC[C@@H](CCN)N2)n1 |r,t:7|
Cc1cccc(NC2=NC[C@H](CCN)N2)n1 |r,t:7|
Cc1cccc(c1)C1=NCCN1 |t:8|
Cc1cccc2cnn(CC3=NCCN3)c12 |t:10|
Cc1cccc2n(CC3=NCCN3)cnc12 |t:8|
Cc1cccc2n(CC3=NCCN3)ncc12 |t:8|
Cc1cccc2n[nH]c(N=C3NCCN3)c12 |(-5.16,-15.24,;-5.12,-13.71,;-6.43,-12.91,;-6.38,-11.36,;-5.04,-10.63,;-3.72,-11.44,;-2.24,-11.01,;-1.37,-12.27,;-2.31,-13.49,;-1.5,-14.81,;.03,-14.78,;.91,-13.51,;2.39,-13.95,;2.42,-15.49,;.97,-16,;-3.76,-12.98,)|
Cc1cccc2nn(CC3=NCCN3)nc12 |t:9|
Cc1ccccc1C1=NCCN1 |t:8|
Cc1ccccc1CCC1=NCCN1 |t:10|
Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Cc1ccccc1NCC1=NCCN1 |t:10|
Cc1ccccc1OCC1=NCCN1 |t:10|
Cc1ccccc1\C=C\C1=NCCN1 |t:10|
Cc1ccsc1C1=NCCN1 |t:7|
Cc1nc2ccccc2n1CC1=NCCN1 |t:13|
Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Cc1nn(CC2=NCCN2)c2ccccc12 |t:5|
Cl.Brc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
Cl.Brc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Cl.Brc1cccc2n(CC3=NCCN3)ccc12 |t:8|
Cl.C(C1=NCCN1)n1ccc2ccccc12 |t:1|
Cl.CC1CC\C(N1)=N/c1cccc(C)c1C
Cl.CC1CC\C(N1)=N/c1cccc(Cl)c1C
Cl.CC1CC\C(N1)=N\c1ccc(Cl)c2CCCc12
Cl.CC1CC\C(N1)=N\c1cccc2CCCCc12
Cl.CC1CC\C(N1)=N\c1cccc2CCCc12
Cl.CC1CN\C(C1)=N/c1ccc(C)c2CCCc12
Cl.CC1CN\C(C1)=N/c1ccc(Cl)c2CCCc12
Cl.CC1CN\C(C1)=N/c1cccc2CCCc12
Cl.CC1CN\C(C1)=N\c1cccc(C)c1C
Cl.CC1CN\C(C1)=N\c1cccc(Cl)c1C
Cl.CCc1cccc2ccn(CC3=NCCN3)c12 |t:11|
Cl.Clc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
Cl.Clc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Cl.Fc1ccc2ccn(CC3=NCCN3)c2c1 |t:9|
Cl.Fc1ccc2n(CC3=NCCN3)ccc2c1 |t:7|
Cl.Fc1cccc2ccn(CC3=NCCN3)c12 |t:10|
Cl.Fc1cccc2n(CC3=NCCN3)ccc12 |t:8|
Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1
Clc1cc(I)cc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Clc1ccc2c(N=C3NCCN3)[nH]nc2c1 |(31.19,-27.47,;32.5,-28.27,;32.46,-29.82,;33.77,-30.62,;35.13,-29.89,;36.58,-30.4,;37.39,-31.72,;38.92,-31.69,;39.8,-30.42,;41.28,-30.86,;41.3,-32.4,;39.85,-32.91,;37.51,-29.18,;36.64,-27.92,;35.17,-28.35,;33.85,-27.54,)|
Clc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
Clc1ccc2n[nH]c(N=C3NCCN3)c2c1 |(28.5,-15.61,;29.85,-14.88,;29.89,-13.34,;31.24,-12.61,;32.55,-13.41,;34.03,-12.98,;34.9,-14.24,;33.97,-15.47,;34.78,-16.79,;36.31,-16.75,;37.19,-15.49,;38.66,-15.93,;38.69,-17.47,;37.24,-17.97,;32.52,-14.95,;31.16,-15.69,)|
Clc1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Clc1ccc2nsnc2c1NC1=NCCN1 |t:13|
Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Clc1cccc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7+]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
Clc1cccc2CN(Cc12)NC1=NCCN1 |t:13|
Clc1cccc2c(N=C3NCCN3)[nH]nc12 |(13.68,-39.86,;13.64,-41.39,;12.29,-42.12,;12.25,-43.67,;13.56,-44.47,;14.92,-43.74,;16.37,-44.25,;17.18,-45.57,;18.71,-45.54,;19.59,-44.27,;21.07,-44.71,;21.09,-46.25,;19.64,-46.76,;17.3,-43.03,;16.43,-41.77,;14.95,-42.2,)|
Clc1cccc2cnn(CC3=NCCN3)c12 |t:10|
Clc1cccc2n(CC3=NCCN3)ncc12 |t:8|
Clc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
Clc1cccc2n[nH]c(N=C3NCCN3)c12 |(20.22,-2.74,;20.26,-1.21,;18.95,-.4,;18.99,1.14,;20.34,1.87,;21.66,1.07,;23.13,1.5,;24.01,.23,;23.07,-.99,;23.88,-2.31,;25.41,-2.28,;26.29,-1.01,;27.77,-1.45,;27.8,-2.99,;26.34,-3.5,;21.62,-.47,)|
Clc1cccc2nn(cc12)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
Clc1ccccc1CCC1=NCCN1 |t:10|
Clc1ccccc1N=C1CCCN1 |w:7.7|
Clc1ccccc1NCC1=NCCN1 |t:10|
Clc1ccccc1\C=C\C1=NCCN1 |t:10|
FC(F)(F)Oc1ccc(cc1)C1=NCCN1 |t:12|
FC(F)(F)c1ccc(cc1)C1=NCCN1 |t:11|
Fc1c(F)c(F)c2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1F
Fc1cc(F)cc(c1)C1=NCCN1 |t:9|
Fc1ccc(C2=NCCN2)c(Cl)c1 |t:5|
Fc1ccc(cc1Cl)C1=NCCN1 |t:9|
Fc1ccc2cnn(CC3=NCCN3)c2c1 |t:9|
Fc1ccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c2c1
Fc1ccc2n(CC3=NCCN3)ncc2c1 |t:7|
Fc1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
Fc1cccc(c1)C1=NCCN1 |t:8|
Fc1cccc2cnn(CC3=NCCN3)c12 |t:10|
Fc1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
Fc1cccc2n(CC3=NCCN3)ncc12 |t:8|
Fc1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
Fc1ccccc1C1=NCCN1 |t:8|
N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|
NC(=N)C1COc2ccccc2O1
NC(=N)C1OCc2ccccc2O1
NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
NC(CS(O)(=O)=O)C(O)=O
NC(CS(O)=O)C(O)=O
NC(CS)C(O)=O
NC(CSSCC(N)C(O)=O)C(O)=O
NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|
NC1=NC2(CO1)CCc1ccccc1C2 |t:1|
NC1=NCC(COc2ccccc2Br)O1 |t:1|
NCC[C@@H]1CN=C(Cc2cccc3ccccc23)N1 |r,t:5|
NCC[C@@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5|
NCC[C@@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5|
NCC[C@@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5|
NCC[C@@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5|
NCC[C@@H]1CNC(N)=N1 |r,c:7|
NCC[C@@H]1CNC=N1 |r,c:6|
NCC[C@H]1CN=C(CN(Cc2ccccc2)c2ccccc2)N1 |r,t:5|
NCC[C@H]1CN=C(Cc2cccc3ccccc23)N1 |r,t:5|
NCC[C@H]1CN=C(Cc2ccccc2)N1 |r,t:5|
NCC[C@H]1CN=C(N1)C1COc2ccccc2O1 |r,c:5|
NCC[C@H]1CN=C(N1)C=Cc1ccccc1 |r,w:8.8,c:5|
NCC[C@H]1CN=C(N1)c1ccccc1 |r,c:5|
NCC[C@H]1CN=C(N1)c1ccccc1F |r,c:5|
NCC[C@H]1CN=C(NC(C2CC2)C2CC2)N1 |r,t:5|
NCC[C@H]1CN=C(NCc2ccccc2)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2c(Cl)cccc2Cl)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2ccc(Br)cc2)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2ccc(Cl)cc2Cl)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2cccc(Cl)c2)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2cccc(c2)C(F)(F)F)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2ccccc2Br)N1 |r,t:5|
NCC[C@H]1CN=C(Nc2cccnc2)N1 |r,t:5|
NCC[C@H]1CNC(N)=N1 |r,c:7|
NCC[C@H]1CNC(N1)=Nc1c(F)cccc1F |r,w:8.9|
NCC[C@H]1CNC=N1 |r,c:6|
NCCc1cnc[nH]1
NC[C@H](O)c1ccc(O)c(O)c1 |r|
N[C@@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@@H](CCS(O)=O)C(O)=O |r|
N[C@@H]1CCSC1=O |r|
N[C@H](CCS(O)(=O)=O)C(O)=O |r|
N[C@H](CCS(O)=O)C(O)=O |r|
N[C@H]1CCSC1=O |r|
O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1
O=c1c(coc2ccccc12)C1=NCCN1 |t:13|
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Oc1ccccc1CCC1=NCCN1 |t:10|
S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1nc(-c2ccccc2)c2ccccc12
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]/n1ncc2ccccc12
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1cnc2ccccc12
[#6]-1-[#6]-[#7]\[#6](-[#7]-1)=[#7]\n1nnc2ccccc12
[#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
[#6]-[#8]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
[#6]-[#8]-c1nc(-[#6])nc(Cl)c1\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
[#6]-c1ccc2cn(\[#7]=[#6]-3/[#7]-[#6]-[#6]-[#7]-3)nc2c1
[#6]-c1ccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc2c1
[#6]-c1ccc2nn(cc2c1)\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1
[#6]-c1cccc2cnn(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)c12
[#6]-c1cccc2n(\[#7]=[#6]-3\[#7]-[#6]-[#6]-[#7]-3)ncc12
[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(Cl)cccc1Cl |w:4.3|
[H][C@@](C)(CC1=NCCN1)c1ccccc1 |r,t:4|
[H][C@@](C)(Cc1ccccc1)C1=NCCN1 |r,t:11|
[H][C@@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
[H][C@@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
[H][C@]1(C[C@@]1([H])c1ccccc1)C1=NCCN1 |t:13|
[H][C@]1(C[C@]1([H])c1ccccc1)C1=NCCN1 |t:13|
[O-][N+](=O)c1cccc(c1)-c1ccccc1CCC1=NCCN1 |t:19|
c1c[nH]c(n1)-c1ccccc1