text
stringlengths
23
3.17k
CC1=CC=CC(CCO)=N1 Cc1cccc(CCO)n1 Molport-000-004-940
CC1CNCCO1 CC1CNCCO1 Molport-000-004-943
NCC1CNCCO1 NCC1CNCCO1 Molport-000-004-944
COC1=CC2=C(OCC(=O)N2)C=C1 COc1ccc2OCC(=O)Nc2c1 Molport-000-004-945
COC1=CC2=C(OCCN2)C=C1 COc1ccc2OCCNc2c1 Molport-000-004-946
COC1=CC=C(C=C1)C1=NC=CC=C1 COc1ccc(cc1)-c1ccccn1 Molport-000-004-947
CN1CC2CNCC2C1 CN1CC2CNCC2C1 Molport-000-004-949
CNCC1CCNC1 CNCC1CCNC1 Molport-000-004-950
CC1=CC=C2CCC(N)C2=C1 Cc1ccc2CCC(N)c2c1 Molport-000-004-952
COC(=O)[C@@H]1CC(=O)CN1C(=O)OCC1=CC=CC=C1 COC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1 Molport-000-004-953
COC(=O)C1(N)CCN(CC2=CC=CC=C2)CC1 COC(=O)C1(N)CCN(Cc2ccccc2)CC1 Molport-000-004-954
CC1NCCNC1=O CC1NCCNC1=O Molport-000-004-955
NC1=CC=C(C=C1)N1CCOCC1 Nc1ccc(cc1)N1CCOCC1 Molport-000-004-956
OC1=CC=C(C=C1)N1CCOCC1 Oc1ccc(cc1)N1CCOCC1 Molport-000-004-957
COC1=CC=C(C=C1)N1CCOCC1 COc1ccc(cc1)N1CCOCC1 Molport-000-004-958
O=CC1=CC=C(C=C1)N1CCOCC1 O=Cc1ccc(cc1)N1CCOCC1 Molport-000-004-959
OC(=O)C1=CC=C(C=C1)N1CCOCC1 OC(=O)c1ccc(cc1)N1CCOCC1 Molport-000-004-960
O=C(C1=CC=CC=C1)C1=CC=C(C=C1)N1CCOCC1 O=C(c1ccccc1)c1ccc(cc1)N1CCOCC1 Molport-000-004-961
COC(=O)C1=CC=C(C=C1)N1CCOCC1 COC(=O)c1ccc(cc1)N1CCOCC1 Molport-000-004-962
CC(=O)C1=CC=C(C=C1)N1CCOCC1 CC(=O)c1ccc(cc1)N1CCOCC1 Molport-000-004-963
OB(O)C1=CC=C(C=C1)N1CCOCC1 OB(O)c1ccc(cc1)N1CCOCC1 Molport-000-004-965
CC1(C)OB(OC1(C)C)C1=CC=C(C=C1)N1CCOCC1 CC1(C)OB(OC1(C)C)c1ccc(cc1)N1CCOCC1 Molport-000-004-966
OC1=CC(=CC=C1)N1CCOCC1 Oc1cccc(c1)N1CCOCC1 Molport-000-004-967
NC1=CC(=CC=C1)N1CCOCC1 Nc1cccc(c1)N1CCOCC1 Molport-000-004-969
N#CC1=CC(=CC=C1)N1CCOCC1 N#Cc1cccc(c1)N1CCOCC1 Molport-000-004-970
OC(=O)C1=CC(=CC=C1)N1CCOCC1 OC(=O)c1cccc(c1)N1CCOCC1 Molport-000-004-971
COC(=O)C1=CC(=CC=C1)N1CCOCC1 COC(=O)c1cccc(c1)N1CCOCC1 Molport-000-004-972
CC1CNCCN1C1=CC=CC=C1 CC1CNCCN1c1ccccc1 Molport-000-004-973
COC(=O)C1=CC=C(C=C1)N1CCNCC1 COC(=O)c1ccc(cc1)N1CCNCC1 Molport-000-004-975
CC1CCNCCN1 CC1CCNCCN1 Molport-000-004-976
CC1CNCCCN1 CC1CNCCCN1 Molport-000-004-977
CC1CNCCNC1 CC1CNCCNC1 Molport-000-004-978
COC1=C(C=CC=C1)N1CCCNCC1 COc1ccccc1N1CCCNCC1 Molport-000-004-979
COC1=CC=C(C=C1)C(=O)N1CCC[C@H]1C(O)=O COc1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O Molport-000-004-981
COC1=CC=C(C=C1)C1CCCN1 COc1ccc(cc1)C1CCCN1 Molport-000-004-982
COC1=CC(=CC=C1)C1CCCN1 COc1cccc(c1)C1CCCN1 Molport-000-004-983
CN1CCCC1C1CCCNC1 CN1CCCC1C1CCCNC1 Molport-000-004-984
COC1=CC(N)=NC=C1 COc1ccnc(N)c1 Molport-000-004-985
CN1CCCC1C1=CN=C(N)C=C1 CN1CCCC1c1ccc(N)nc1 Molport-000-004-986
COC(=O)C1=CN=C(N)C=C1 COC(=O)c1ccc(N)nc1 Molport-000-004-987
CC1=CC=CC(N)=[N+]1[O-] Cc1cccc(N)[n+]1[O-] Molport-000-004-988
CN1CCCC1C1=CC=CN=C1N CN1CCCC1c1cccnc1N Molport-000-004-989
CN(C)C1=CC=C(N)C=N1 CN(C)c1ccc(N)cn1 Molport-000-004-990
CSC1=CC=C(N)C=N1 CSc1ccc(N)cn1 Molport-000-004-991
COC(=O)C1=CC=NC=C1O COC(=O)c1ccncc1O Molport-000-004-992
COC(=O)C1=CC(O)=CN=C1 COC(=O)c1cncc(O)c1 Molport-000-004-993
COC1=CC=C2C(=O)C=C(NC2=C1)C(O)=O COc1ccc2c(c1)[nH]c(cc2=O)C(O)=O Molport-000-004-994
CN1CCC(CC1)C1=NNC2=CC=CC=C12 CN1CCC(CC1)c1n[nH]c2ccccc12 Molport-000-004-996
COC(=O)C1=C(Cl)C=NC=C1 COC(=O)c1ccncc1Cl Molport-000-004-997
CN1CCN(CC#C)CC1 CN1CCN(CC#C)CC1 Molport-000-004-998
COC1=C(N=CN=C1)N1CCNCC1 COc1cncnc1N1CCNCC1 Molport-000-004-999
COC1=CC=NC(=N1)N1CCNCC1 COc1ccnc(n1)N1CCNCC1 Molport-000-005-000
CC1=CC=NC(=N1)N1CCNCC1 Cc1ccnc(n1)N1CCNCC1 Molport-000-005-001
COC1=CN=C(N=C1)N1CCNCC1 COc1cnc(nc1)N1CCNCC1 Molport-000-005-002
CC1=CSC(=N1)N1CCNCC1 Cc1csc(n1)N1CCNCC1 Molport-000-005-003
CC1=CN=C(S1)N1CCNCC1 Cc1cnc(s1)N1CCNCC1 Molport-000-005-004
COC1=NC(=CC=C1)N1CCNCC1 COc1cccc(n1)N1CCNCC1 Molport-000-005-005
CC1=CC=NC(=C1)N1CCNCC1 Cc1ccnc(c1)N1CCNCC1 Molport-000-005-006
CC1=NC(=CC=C1)N1CCNCC1 Cc1cccc(n1)N1CCNCC1 Molport-000-005-007
COC1=CC=C2NC=NC2=C1 COc1ccc2[nH]cnc2c1 Molport-000-005-008
COC(=O)C1=CC=C2NC=NC2=C1 COC(=O)c1ccc2[nH]cnc2c1 Molport-000-005-009
COC1=C2N=CNC2=CC=C1 COc1cccc2[nH]cnc12 Molport-000-005-010
COC(=O)C1=CC=C2NC(N)=NC2=C1 COC(=O)c1ccc2[nH]c(N)nc2c1 Molport-000-005-011
CC1=CC=C2NC(N)=NC2=C1 Cc1ccc2[nH]c(N)nc2c1 Molport-000-005-012
CN1C(N)=NC2=CC=CC=C12 Cn1c(N)nc2ccccc12 Molport-000-005-013
COC(=O)C1=CN=C(Cl)N=C1Cl COC(=O)c1cnc(Cl)nc1Cl Molport-000-005-015
COC(=O)C1=CC(Cl)=NC(Cl)=N1 COC(=O)c1cc(Cl)nc(Cl)n1 Molport-000-005-016
CC1=CC=NC(NC2=CC=CC=C2)=N1 Cc1ccnc(Nc2ccccc2)n1 Molport-000-005-017
COC1=CC=C(C=O)C=N1 COc1ccc(C=O)cn1 Molport-000-005-018
CC1=CC=CC(=N1)C(O)=O Cc1cccc(n1)C(O)=O Molport-000-005-019
CC1=CC(=NC=C1)C(O)=O Cc1ccnc(c1)C(O)=O Molport-000-005-020
CC1=NC=CC(=C1)C(O)=O Cc1cc(ccn1)C(O)=O Molport-000-005-021
CC1=CN=C(C=C1)C(O)=O Cc1ccc(nc1)C(O)=O Molport-000-005-022
CC1=CC=CN=C1C(O)=O Cc1cccnc1C(O)=O Molport-000-005-023
CC1=CC=C(C=N1)C(O)=O Cc1ccc(cn1)C(O)=O Molport-000-005-024
CC1=CN=CC(=C1)C(O)=O Cc1cncc(c1)C(O)=O Molport-000-005-025
CC1=NC=CC=C1C(O)=O Cc1ncccc1C(O)=O Molport-000-005-026
Cl.COC(=O)[C@@H]1CCCN1 Cl.COC(=O)[C@@H]1CCCN1 Molport-000-005-027
COC(=O)C1=CSC(N)=N1 COC(=O)c1csc(N)n1 Molport-000-005-028
CN1CCN(CC1)C1=CC=C(C=O)C=N1 CN1CCN(CC1)c1ccc(C=O)cn1 Molport-000-005-030
CC1=CC=C(N=C1)N1CCNCC1 Cc1ccc(nc1)N1CCNCC1 Molport-000-005-031
O=CC1=CC=C(N=C1)N1CCOCC1 O=Cc1ccc(nc1)N1CCOCC1 Molport-000-005-032
COC(=O)C1=CC=C(N=C1)N1CCN(C)CC1 COC(=O)c1ccc(nc1)N1CCN(C)CC1 Molport-000-005-033
CC1=CC=CN=C1N1CCNCC1 Cc1cccnc1N1CCNCC1 Molport-000-005-034
CN1CCN(CC1)C1=CC=C(C=N1)C#N CN1CCN(CC1)c1ccc(cn1)C#N Molport-000-005-035
CN1CCN(CC1)C1=NC=CC=C1 CN1CCN(CC1)c1ccccn1 Molport-000-005-036
OC(=O)C1=CC(=NC=C1)N1CCOCC1 OC(=O)c1ccnc(c1)N1CCOCC1 Molport-000-005-039
CC(=O)C1=CN=C(C=C1)N1CCOCC1 CC(=O)c1ccc(nc1)N1CCOCC1 Molport-000-005-040
CC1=CC=C(C=C1)C(=N)NO Cc1ccc(cc1)C(=N)NO Molport-000-005-041
CSC1=NC=CC(=N1)C(O)=O CSc1nccc(n1)C(O)=O Molport-000-005-042
COC(=O)C1=NC(Cl)=NC(C)=C1 COC(=O)c1cc(C)nc(Cl)n1 Molport-000-005-043
CC(=O)C1=NC(C)=NC=C1 CC(=O)c1ccnc(C)n1 Molport-000-005-044
CC1=NC=C(C=N1)C(O)=O Cc1ncc(cn1)C(O)=O Molport-000-005-045
CC1=CN=C(N=C1)C(O)=O Cc1cnc(nc1)C(O)=O Molport-000-005-046
CC(=O)C1=NC=NC(C)=C1 CC(=O)c1cc(C)ncn1 Molport-000-005-047
CC1=C(NC(=O)NC1=O)C(O)=O Cc1c([nH]c(=O)[nH]c1=O)C(O)=O Molport-000-005-048
COC1CCCNC1 COC1CCCNC1 Molport-000-005-049
COC(=O)C1=CC2=NC=CN2C=C1 COC(=O)c1ccn2ccnc2c1 Molport-000-005-050
CC1=C2NN=CC2=CC=C1 Cc1cccc2cn[nH]c12 Molport-000-005-051
CN1N=CC2=CC=CC=C12 Cn1ncc2ccccc12 Molport-000-005-052