smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272696218 373618848 /nfs/dbraw/zinc/61/88/48/373618848.db2.gz XTKLQJQGHRYLAW-WDEREUQCSA-N 1 1 253.317 2.436 10 10 CECEMO CCN1CCC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000158671716 395051017 /nfs/dbraw/zinc/05/10/17/395051017.db2.gz OHUJIPWYHJXDDU-LBPRGKRZSA-N 1 1 252.333 2.105 10 10 CECEMO [NH3+]CCCC[C@@H]([NH3+])c1cc(Br)ccc1[O-] ZINC000575438720 400609414 /nfs/dbraw/zinc/60/94/14/400609414.db2.gz DEECDSWMXSDWDH-SNVBAGLBSA-N 1 1 273.174 2.284 10 10 CECEMO C[C@@H](NCCC[NH+]1CCCC1)c1cc(O)ccc1O ZINC000020129059 171016097 /nfs/dbraw/zinc/01/60/97/171016097.db2.gz VHBSQADZSRIANA-GFCCVEGCSA-N 1 1 264.369 2.234 10 10 CECEMO C=C(C=C1CCC[N@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644974 174150700 /nfs/dbraw/zinc/15/07/00/174150700.db2.gz IYSUEATZWRPJFI-FIFLTTCUSA-N 1 1 268.407 2.360 10 10 CECEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2CCCO)c1O ZINC000052761430 625901323 /nfs/dbraw/zinc/90/13/23/625901323.db2.gz CBSNCUNIAMBXLZ-CQSZACIVSA-N 1 1 295.354 2.471 10 10 CECEMO COCC[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC000120810072 647542683 /nfs/dbraw/zinc/54/26/83/647542683.db2.gz CTQIVQRIEOOYNN-LBPRGKRZSA-N 1 1 298.814 2.198 10 10 CECEMO CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@@H]2[NH3+] ZINC000131337914 344357379 /nfs/dbraw/zinc/35/73/79/344357379.db2.gz RAJKQSRSKCVICD-MRXNPFEDSA-N 1 1 281.359 2.299 10 10 CECEMO Cn1cc([C@H]2CCC[N@H+]2Cc2ccccc2O)cn1 ZINC000180074534 368367261 /nfs/dbraw/zinc/36/72/61/368367261.db2.gz ZZSFYUKCMPLGCP-CQSZACIVSA-N 1 1 257.337 2.463 10 10 CECEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000180175664 368369307 /nfs/dbraw/zinc/36/93/07/368369307.db2.gz KOZXXJKGCKGVKJ-NSHDSACASA-N 1 1 275.327 2.254 10 10 CECEMO Cc1cccc(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000180330861 368376178 /nfs/dbraw/zinc/37/61/78/368376178.db2.gz SAXZFNLPJCTAGA-ZDUSSCGKSA-N 1 1 271.364 2.424 10 10 CECEMO C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1[NH+](C)C ZINC000252781412 371478611 /nfs/dbraw/zinc/47/86/11/371478611.db2.gz UMDTUXBEHIIFAE-GXFFZTMASA-N 1 1 268.788 2.428 10 10 CECEMO CC[C@H]1C[N@@H+](Cc2cc(C)ccc2O)CCN1CCOC ZINC000120962823 394789484 /nfs/dbraw/zinc/78/94/84/394789484.db2.gz JCCRYQPEHRAVKW-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@H]1CN(Cc2cc(C)ccc2O)CC[N@@H+]1CCOC ZINC000120962823 394789490 /nfs/dbraw/zinc/78/94/90/394789490.db2.gz JCCRYQPEHRAVKW-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@H]1CN(Cc2cc(C)ccc2O)CC[N@H+]1CCOC ZINC000120962823 394789494 /nfs/dbraw/zinc/78/94/94/394789494.db2.gz JCCRYQPEHRAVKW-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO C[C@H](CN1CCCCC1)[NH2+]Cc1cccc(F)c1O ZINC000158716385 395052672 /nfs/dbraw/zinc/05/26/72/395052672.db2.gz CATDSFUNKLKSEY-GFCCVEGCSA-N 1 1 266.360 2.495 10 10 CECEMO CC(C)(CN1CCCC1)[NH2+]Cc1cccc(F)c1O ZINC000308628887 623902999 /nfs/dbraw/zinc/90/29/99/623902999.db2.gz XULIAEYFHNXQBW-UHFFFAOYSA-N 1 1 266.360 2.495 10 10 CECEMO COc1cc(C)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000164393379 639366347 /nfs/dbraw/zinc/36/63/47/639366347.db2.gz HMAWIOFEYNVTED-ZFWWWQNUSA-N 1 1 290.407 2.378 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248404140 371187412 /nfs/dbraw/zinc/18/74/12/371187412.db2.gz ZWTRZZCDIWBVEN-GJZGRUSLSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@H]1CN2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000248404140 371187417 /nfs/dbraw/zinc/18/74/17/371187417.db2.gz ZWTRZZCDIWBVEN-GJZGRUSLSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@H]1CN2CCC[C@H]2C[N@H+]1Cc1ccccc1O ZINC000248404140 371187419 /nfs/dbraw/zinc/18/74/19/371187419.db2.gz ZWTRZZCDIWBVEN-GJZGRUSLSA-N 1 1 260.381 2.451 10 10 CECEMO COc1ccc(N2CCN([C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000071646023 134974065 /nfs/dbraw/zinc/97/40/65/134974065.db2.gz UMQXYKWIOIZZHV-HOCLYGCPSA-N 1 1 289.423 2.087 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000147453677 263811675 /nfs/dbraw/zinc/81/16/75/263811675.db2.gz CCJDDQICEAFIMA-CYBMUJFWSA-N 1 1 292.379 2.037 10 10 CECEMO CCC(CC)(CO)C[NH2+]Cc1cccc(F)c1O ZINC000226617724 329262433 /nfs/dbraw/zinc/26/24/33/329262433.db2.gz NKLKUKFBFGHCDP-UHFFFAOYSA-N 1 1 255.333 2.420 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCc1cscn1 ZINC000158769767 625034934 /nfs/dbraw/zinc/03/49/34/625034934.db2.gz CVFDDNIRNUZVEO-UHFFFAOYSA-N 1 1 252.314 2.320 10 10 CECEMO Cc1cnc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000231530246 639863261 /nfs/dbraw/zinc/86/32/61/639863261.db2.gz IENKFFBIAQQYPT-VIFPVBQESA-N 1 1 276.292 2.268 10 10 CECEMO CN(CC[NH2+]Cc1cccc(F)c1O)C1CCCC1 ZINC000158767716 395053714 /nfs/dbraw/zinc/05/37/14/395053714.db2.gz PYHNLGWNFBCADF-UHFFFAOYSA-N 1 1 266.360 2.495 10 10 CECEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179565805 395195695 /nfs/dbraw/zinc/19/56/95/395195695.db2.gz OFONAKKJSHJINI-CQSZACIVSA-N 1 1 276.380 2.273 10 10 CECEMO CC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000037912933 173846493 /nfs/dbraw/zinc/84/64/93/173846493.db2.gz SUCNXROMMANXJC-CQSZACIVSA-N 1 1 261.369 2.472 10 10 CECEMO C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(O)c(O)c1 ZINC000077272639 177247935 /nfs/dbraw/zinc/24/79/35/177247935.db2.gz YENHZTNWVCNPRW-MRXNPFEDSA-N 1 1 273.332 2.263 10 10 in-vitro CECEMO C[N@@H+](CCc1ccncc1)Cc1cc(N)ccc1O ZINC000048259387 522977584 /nfs/dbraw/zinc/97/75/84/522977584.db2.gz KBHPJKNBENFSNZ-UHFFFAOYSA-N 1 1 257.337 2.044 10 10 CECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(OC)c1O ZINC000156084185 366826939 /nfs/dbraw/zinc/82/69/39/366826939.db2.gz LOCQSGFBDNLZQV-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cccc(OC)c1O ZINC000156084185 366826944 /nfs/dbraw/zinc/82/69/44/366826944.db2.gz LOCQSGFBDNLZQV-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cccc(OC)c1O ZINC000156084185 366826949 /nfs/dbraw/zinc/82/69/49/366826949.db2.gz LOCQSGFBDNLZQV-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO C[C@H](C[NH2+]Cc1cccc(F)c1O)N(C)C1CC1 ZINC000226607808 370348714 /nfs/dbraw/zinc/34/87/14/370348714.db2.gz AFVDLHKZIXZFJZ-SNVBAGLBSA-N 1 1 252.333 2.104 10 10 CECEMO CCOC[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272458752 373494460 /nfs/dbraw/zinc/49/44/60/373494460.db2.gz QMJCQTLMPDSJIN-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO CCOC[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272458752 373494466 /nfs/dbraw/zinc/49/44/66/373494466.db2.gz QMJCQTLMPDSJIN-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO C[N@H+](Cc1ccccc1O)C[C@H](O)COC(C)(C)C ZINC000121151712 394793093 /nfs/dbraw/zinc/79/30/93/394793093.db2.gz NRXCOLJRYJUOJR-ZDUSSCGKSA-N 1 1 267.369 2.000 10 10 CECEMO Cn1cc([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)cn1 ZINC000179577554 395197192 /nfs/dbraw/zinc/19/71/92/395197192.db2.gz NCGFSIGKJWUEPE-GFCCVEGCSA-N 1 1 257.337 2.115 10 10 CECEMO C[N@@H+](Cc1cccc(F)c1O)C[C@H]1CCCOC1 ZINC000160237475 264237397 /nfs/dbraw/zinc/23/73/97/264237397.db2.gz AUBCQKHYZGKETD-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO C[N@H+](Cc1cccc(F)c1O)C[C@H]1CCCOC1 ZINC000160237475 264237400 /nfs/dbraw/zinc/23/74/00/264237400.db2.gz AUBCQKHYZGKETD-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(F)cc1O ZINC000219064492 628806412 /nfs/dbraw/zinc/80/64/12/628806412.db2.gz FZHJDBANSNAERE-MVWJERBFSA-N 1 1 253.317 2.485 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000172478052 639767370 /nfs/dbraw/zinc/76/73/70/639767370.db2.gz NPBWGSOQRNNQLF-CQSZACIVSA-N 1 1 289.375 2.266 10 10 CECEMO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000062747612 639783177 /nfs/dbraw/zinc/78/31/77/639783177.db2.gz FZHJDBANSNAERE-DLOVCJGASA-N 1 1 253.317 2.485 10 10 CECEMO [NH3+]CCCC[C@H]([NH3+])c1ccc(Br)cc1[O-] ZINC000575440323 366287688 /nfs/dbraw/zinc/28/76/88/366287688.db2.gz NWZPHQIFOYZDFV-JTQLQIEISA-N 1 1 273.174 2.284 10 10 CECEMO C[N@@H+](CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022178559 171371879 /nfs/dbraw/zinc/37/18/79/171371879.db2.gz JHAYWJPJPNQZAD-UHFFFAOYSA-N 1 1 261.369 2.472 10 10 CECEMO COC(=O)CCC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366088 172157268 /nfs/dbraw/zinc/15/72/68/172157268.db2.gz DLGUOIHSUJUCHF-UHFFFAOYSA-N 1 1 262.353 2.186 10 10 CECEMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CC(O)C2)c1O ZINC000091451563 327102539 /nfs/dbraw/zinc/10/25/39/327102539.db2.gz KOHHJGSKWVCMID-UHFFFAOYSA-N 1 1 297.782 2.451 10 10 CECEMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CC2CC(O)C2)c1O ZINC000091451563 327102540 /nfs/dbraw/zinc/10/25/40/327102540.db2.gz KOHHJGSKWVCMID-UHFFFAOYSA-N 1 1 297.782 2.451 10 10 CECEMO C[C@H]([NH2+]Cc1cccc(F)c1O)c1nnc2ccccn21 ZINC000164961916 639409029 /nfs/dbraw/zinc/40/90/29/639409029.db2.gz JAHHYJZAFFXLEU-JTQLQIEISA-N 1 1 286.310 2.425 10 10 CECEMO COCC[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1C ZINC000120809905 647543200 /nfs/dbraw/zinc/54/32/00/647543200.db2.gz CTQIVQRIEOOYNN-GFCCVEGCSA-N 1 1 298.814 2.198 10 10 CECEMO CN(C)c1ccc(CN2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000245550819 370838091 /nfs/dbraw/zinc/83/80/91/370838091.db2.gz AMDJYFHGBNSMJP-KRWDZBQOSA-N 1 1 273.424 2.423 10 10 CECEMO CN(C)c1ccc(C[N@@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000245550819 370838098 /nfs/dbraw/zinc/83/80/98/370838098.db2.gz AMDJYFHGBNSMJP-KRWDZBQOSA-N 1 1 273.424 2.423 10 10 CECEMO CN(C)c1ccc(C[N@H+]2CCN3CCCC[C@H]3C2)cc1 ZINC000245550819 370838103 /nfs/dbraw/zinc/83/81/03/370838103.db2.gz AMDJYFHGBNSMJP-KRWDZBQOSA-N 1 1 273.424 2.423 10 10 CECEMO Oc1c(Cl)cccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000124595964 394838732 /nfs/dbraw/zinc/83/87/32/394838732.db2.gz JKVFDNGWKRUMJO-GFCCVEGCSA-N 1 1 266.772 2.326 10 10 CECEMO Oc1c(Cl)cccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000124595964 394838733 /nfs/dbraw/zinc/83/87/33/394838733.db2.gz JKVFDNGWKRUMJO-GFCCVEGCSA-N 1 1 266.772 2.326 10 10 CECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCCC[C@H]1C ZINC000022153717 171360542 /nfs/dbraw/zinc/36/05/42/171360542.db2.gz RTHLAOKDNXFCTN-NEPJUHHUSA-N 1 1 261.369 2.470 10 10 CECEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1O ZINC000296260171 327093754 /nfs/dbraw/zinc/09/37/54/327093754.db2.gz OBMZPLKYTFYXFN-LKFCYVNXSA-N 1 1 281.327 2.079 10 10 CECEMO CN(C)c1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128349906 522180643 /nfs/dbraw/zinc/18/06/43/522180643.db2.gz QVWDWIALAVMMPO-HNNXBMFYSA-N 1 1 284.407 2.476 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)ccc1O ZINC000156083380 366827321 /nfs/dbraw/zinc/82/73/21/366827321.db2.gz LTQOBJNFGQRLSN-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(OC)ccc1O ZINC000156083380 366827328 /nfs/dbraw/zinc/82/73/28/366827328.db2.gz LTQOBJNFGQRLSN-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000156083380 366827333 /nfs/dbraw/zinc/82/73/33/366827333.db2.gz LTQOBJNFGQRLSN-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000119504755 365282682 /nfs/dbraw/zinc/28/26/82/365282682.db2.gz ASTZRKUCLICFON-ZDUSSCGKSA-N 1 1 292.770 2.474 10 10 CECEMO Cc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000124601967 394838614 /nfs/dbraw/zinc/83/86/14/394838614.db2.gz QGTJLRLAUNXNIG-DZGCQCFKSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@H+]2C[C@H]3CCCN3C[C@@H]2C)c1O ZINC000124601967 394838617 /nfs/dbraw/zinc/83/86/17/394838617.db2.gz QGTJLRLAUNXNIG-DZGCQCFKSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@@H+]2C[C@H]3CCCN3C[C@@H]2C)c1O ZINC000124601967 394838620 /nfs/dbraw/zinc/83/86/20/394838620.db2.gz QGTJLRLAUNXNIG-DZGCQCFKSA-N 1 1 260.381 2.369 10 10 CECEMO [O-]c1c(F)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000158721413 395052796 /nfs/dbraw/zinc/05/27/96/395052796.db2.gz OEIGUFNUIBGMIU-LLVKDONJSA-N 1 1 264.344 2.105 10 10 CECEMO CN(C)c1ccc(C[NH2+]Cc2nnc3ccccn32)cc1 ZINC000020185229 171048211 /nfs/dbraw/zinc/04/82/11/171048211.db2.gz ONLGSSPSFCOVJP-UHFFFAOYSA-N 1 1 281.363 2.085 10 10 CECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000037174226 173009165 /nfs/dbraw/zinc/00/91/65/173009165.db2.gz BSFJPJPNANYMKB-GXFFZTMASA-N 1 1 279.409 2.033 10 10 CECEMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000128486497 522175883 /nfs/dbraw/zinc/17/58/83/522175883.db2.gz XXVUUUBLGKKDKU-MRXNPFEDSA-N 1 1 299.422 2.256 10 10 CECEMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1 ZINC000128504924 525341794 /nfs/dbraw/zinc/34/17/94/525341794.db2.gz PABJSIYVFNWGDR-CQSZACIVSA-N 1 1 286.379 2.204 10 10 CECEMO C[C@H](O)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000309033953 624447609 /nfs/dbraw/zinc/44/76/09/624447609.db2.gz GWBVUUFWRLJTLW-YUMQZZPRSA-N 1 1 274.158 2.014 10 10 CECEMO COc1cc(Br)c(O)c([C@H]([NH3+])CF)c1 ZINC000238450598 344606551 /nfs/dbraw/zinc/60/65/51/344606551.db2.gz XLURDLWQMSRQSJ-MRVPVSSYSA-N 1 1 264.094 2.133 10 10 CECEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3O)C2)cn1 ZINC000180175647 368369357 /nfs/dbraw/zinc/36/93/57/368369357.db2.gz KOZXXJKGCKGVKJ-LLVKDONJSA-N 1 1 275.327 2.254 10 10 CECEMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2ccc(N)cc2)C1 ZINC000022178252 171371543 /nfs/dbraw/zinc/37/15/43/171371543.db2.gz HOJDOBJURZCKKH-TXEJJXNPSA-N 1 1 261.369 2.185 10 10 CECEMO C=C(C=C1CCC[N@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644976 174150881 /nfs/dbraw/zinc/15/08/81/174150881.db2.gz IYSUEATZWRPJFI-ZWOQCJTASA-N 1 1 268.407 2.360 10 10 CECEMO C[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(O)c(O)c1 ZINC000077272636 177247930 /nfs/dbraw/zinc/24/79/30/177247930.db2.gz YENHZTNWVCNPRW-INIZCTEOSA-N 1 1 273.332 2.263 10 10 in-vitro CECEMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128349702 522182690 /nfs/dbraw/zinc/18/26/90/522182690.db2.gz QVWDWIALAVMMPO-OAHLLOKOSA-N 1 1 284.407 2.476 10 10 CECEMO C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(O)cc1O ZINC000049553156 524167108 /nfs/dbraw/zinc/16/71/08/524167108.db2.gz PLFLWTCQCYXURI-GHMZBOCLSA-N 1 1 252.358 2.089 10 10 CECEMO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000226609941 370349199 /nfs/dbraw/zinc/34/91/99/370349199.db2.gz SNWXQZGAYFSBPZ-ZDUSSCGKSA-N 1 1 255.333 2.418 10 10 CECEMO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272696214 373618468 /nfs/dbraw/zinc/61/84/68/373618468.db2.gz XTKLQJQGHRYLAW-MNOVXSKESA-N 1 1 253.317 2.436 10 10 CECEMO CN(C)C1(C[N@@H+](C)Cc2cccc(F)c2[O-])CCC1 ZINC000097934080 394700189 /nfs/dbraw/zinc/70/01/89/394700189.db2.gz WIXQTILPWJYCPB-UHFFFAOYSA-N 1 1 266.360 2.447 10 10 CECEMO CN(Cc1cccc(F)c1O)CC1([NH+](C)C)CCC1 ZINC000097934080 394700191 /nfs/dbraw/zinc/70/01/91/394700191.db2.gz WIXQTILPWJYCPB-UHFFFAOYSA-N 1 1 266.360 2.447 10 10 CECEMO C[NH+]1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000584655422 344974172 /nfs/dbraw/zinc/97/41/72/344974172.db2.gz VNTVXQGTQXLNJL-UHFFFAOYSA-N 1 1 260.381 2.018 10 10 CECEMO Cc1cc(O)c(C[N@H+]2CCC[C@H](n3cncn3)C2)cc1C ZINC000119500194 394768742 /nfs/dbraw/zinc/76/87/42/394768742.db2.gz GGDMKAWDURCATL-HNNXBMFYSA-N 1 1 286.379 2.438 10 10 CECEMO Cc1ccc(N2CCC[N@@H+](Cc3ccccc3O)CC2)nn1 ZINC000179575280 395196933 /nfs/dbraw/zinc/19/69/33/395196933.db2.gz CPXVOAMEXDZQMH-UHFFFAOYSA-N 1 1 298.390 2.203 10 10 CECEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)ccc1O ZINC000185663543 262064516 /nfs/dbraw/zinc/06/45/16/262064516.db2.gz WXKBTIPVMGUCBU-BXKDBHETSA-N 1 1 276.315 2.309 10 10 CECEMO COc1cc(Cl)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1O ZINC000312657528 628361612 /nfs/dbraw/zinc/36/16/12/628361612.db2.gz GREGGFPXDKIMMX-XDTLVQLUSA-N 1 1 296.798 2.223 10 10 CECEMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000131354518 652417489 /nfs/dbraw/zinc/41/74/89/652417489.db2.gz RGRDYXNRQNDDSM-AWEZNQCLSA-N 1 1 292.448 2.461 10 10 CECEMO Cc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1O ZINC000124601715 394839042 /nfs/dbraw/zinc/83/90/42/394839042.db2.gz QGTJLRLAUNXNIG-ZFWWWQNUSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1O ZINC000124601715 394839046 /nfs/dbraw/zinc/83/90/46/394839046.db2.gz QGTJLRLAUNXNIG-ZFWWWQNUSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1O ZINC000124601715 394839048 /nfs/dbraw/zinc/83/90/48/394839048.db2.gz QGTJLRLAUNXNIG-ZFWWWQNUSA-N 1 1 260.381 2.369 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCCOCC1CC1 ZINC000158680674 395051270 /nfs/dbraw/zinc/05/12/70/395051270.db2.gz LDHPBPCFMAJFDW-UHFFFAOYSA-N 1 1 253.317 2.438 10 10 CECEMO [NH3+]CCCC[C@H]([NH3+])c1cc(Br)ccc1[O-] ZINC000575438055 400609573 /nfs/dbraw/zinc/60/95/73/400609573.db2.gz DEECDSWMXSDWDH-JTQLQIEISA-N 1 1 273.174 2.284 10 10 CECEMO COCC[N@@H+](CCc1ccc(N)cc1)CC(C)C ZINC000042367290 174699026 /nfs/dbraw/zinc/69/90/26/174699026.db2.gz QKYRQEBLMMTSFG-UHFFFAOYSA-N 1 1 250.386 2.416 10 10 CECEMO COC(=O)CCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062747626 523032057 /nfs/dbraw/zinc/03/20/57/523032057.db2.gz JFWUYXDCLDBSAA-VIFPVBQESA-N 1 1 255.289 2.135 10 10 CECEMO C[N+](C)(C)CCO[P@@H](=O)c1ccc(N=N)cc1 ZINC000100983877 717144218 /nfs/dbraw/zinc/14/42/18/717144218.db2.gz SQYFIAUVWZXNLR-UHFFFAOYSA-N 1 1 256.266 2.172 10 10 CECEMO COc1ccc(O)c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000180331124 368377035 /nfs/dbraw/zinc/37/70/35/368377035.db2.gz AWTIZAHLYZJMRK-LBPRGKRZSA-N 1 1 287.363 2.124 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCOCC(F)(F)F ZINC000158770246 625034644 /nfs/dbraw/zinc/03/46/44/625034644.db2.gz QZUCRNMSGZKGGF-UHFFFAOYSA-N 1 1 267.222 2.200 10 10 CECEMO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(F)cc1O ZINC000219064638 628806311 /nfs/dbraw/zinc/80/63/11/628806311.db2.gz FZHJDBANSNAERE-ZMLRMANQSA-N 1 1 253.317 2.485 10 10 CECEMO CN(C)c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245763259 370871468 /nfs/dbraw/zinc/87/14/68/370871468.db2.gz QFCPRSVMMSVIJE-INIZCTEOSA-N 1 1 259.397 2.033 10 10 CECEMO COc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000248892677 334321246 /nfs/dbraw/zinc/32/12/46/334321246.db2.gz SWOLUVWQJLFFML-ZDUSSCGKSA-N 1 1 296.798 2.334 10 10 CECEMO CCOCCN1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100309 628072405 /nfs/dbraw/zinc/07/24/05/628072405.db2.gz WZWBAWDPNZPOBP-ZDUSSCGKSA-N 1 1 296.386 2.074 10 10 CECEMO CCOCCN1CC[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180100309 628072407 /nfs/dbraw/zinc/07/24/07/628072407.db2.gz WZWBAWDPNZPOBP-ZDUSSCGKSA-N 1 1 296.386 2.074 10 10 CECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(OC)ccc1O ZINC000156083513 366827657 /nfs/dbraw/zinc/82/76/57/366827657.db2.gz LTQOBJNFGQRLSN-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(OC)ccc1O ZINC000156083513 366827659 /nfs/dbraw/zinc/82/76/59/366827659.db2.gz LTQOBJNFGQRLSN-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000156083513 366827661 /nfs/dbraw/zinc/82/76/61/366827661.db2.gz LTQOBJNFGQRLSN-AWEZNQCLSA-N 1 1 278.396 2.317 10 10 CECEMO C[NH+](C)[C@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000160235042 366985529 /nfs/dbraw/zinc/98/55/29/366985529.db2.gz HNLMEGUNWJXDKV-NSHDSACASA-N 1 1 254.761 2.182 10 10 CECEMO Nc1ccc(O)c(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000042483509 184554402 /nfs/dbraw/zinc/55/44/02/184554402.db2.gz NPQXBYFLNLPMAY-UHFFFAOYSA-N 1 1 264.369 2.101 10 10 CECEMO NC(=O)[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000007982895 170311731 /nfs/dbraw/zinc/31/17/31/170311731.db2.gz SQPUHTQLXZGKCV-OAHLLOKOSA-N 1 1 284.359 2.385 10 10 CECEMO CC(C)C[N@H+]1CCO[C@@H](COc2ccc(N)cc2)C1 ZINC000038055479 174067049 /nfs/dbraw/zinc/06/70/49/174067049.db2.gz IGOGDQAAOLLGBB-OAHLLOKOSA-N 1 1 264.369 2.004 10 10 CECEMO CCC[NH2+]Cc1ccc(N2CCN(C)CC2)c(C)c1 ZINC000050559741 519950031 /nfs/dbraw/zinc/95/00/31/519950031.db2.gz ZEHLAIGEJQMMGH-UHFFFAOYSA-N 1 1 261.413 2.246 10 10 CECEMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc(F)c1O ZINC000289873375 524023450 /nfs/dbraw/zinc/02/34/50/524023450.db2.gz VVYZMMNSICNPTK-PFSWANKYSA-N 1 1 277.339 2.387 10 10 CECEMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cccc(F)c1O ZINC000289873375 524023453 /nfs/dbraw/zinc/02/34/53/524023453.db2.gz VVYZMMNSICNPTK-PFSWANKYSA-N 1 1 277.339 2.387 10 10 CECEMO CC[C@@](C)(O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160430639 623287929 /nfs/dbraw/zinc/28/79/29/623287929.db2.gz QDBYNJMGTVUOOC-QGZVFWFLSA-N 1 1 292.423 2.116 10 10 CECEMO CCOC[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272458745 373494248 /nfs/dbraw/zinc/49/42/48/373494248.db2.gz QMJCQTLMPDSJIN-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO CCOC[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272458745 373494255 /nfs/dbraw/zinc/49/42/55/373494255.db2.gz QMJCQTLMPDSJIN-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO CCC[N@@H+](CCCC(=O)OC)Cc1ccc(N)cc1 ZINC000035364843 172154077 /nfs/dbraw/zinc/15/40/77/172154077.db2.gz FHUOOBBFLMTASV-UHFFFAOYSA-N 1 1 264.369 2.434 10 10 CECEMO CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000226609368 329262437 /nfs/dbraw/zinc/26/24/37/329262437.db2.gz FZRBIQDZKMIUHX-NSHDSACASA-N 1 1 255.333 2.418 10 10 CECEMO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(F)c1O ZINC000165041622 331305755 /nfs/dbraw/zinc/30/57/55/331305755.db2.gz KHCRLJPNDYYFKN-CQSZACIVSA-N 1 1 275.323 2.225 10 10 CECEMO Cc1cnc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)o1 ZINC000231530227 639862477 /nfs/dbraw/zinc/86/24/77/639862477.db2.gz IENKFFBIAQQYPT-SECBINFHSA-N 1 1 276.292 2.268 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000123220076 648849677 /nfs/dbraw/zinc/84/96/77/648849677.db2.gz ZPBFUKOEFKZKQD-SNVBAGLBSA-N 1 1 283.755 2.431 10 10 CECEMO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc(F)cc1O ZINC000246214827 370929414 /nfs/dbraw/zinc/92/94/14/370929414.db2.gz PAKIPIQDDAGNOZ-TVYUQYBPSA-N 1 1 253.317 2.485 10 10 CECEMO Oc1ccc(Cl)c(F)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248894655 371265340 /nfs/dbraw/zinc/26/53/40/371265340.db2.gz SZEJXAKFHJJAJH-JTQLQIEISA-N 1 1 284.762 2.465 10 10 CECEMO Oc1ccc(Cl)c(F)c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000248894655 371265345 /nfs/dbraw/zinc/26/53/45/371265345.db2.gz SZEJXAKFHJJAJH-JTQLQIEISA-N 1 1 284.762 2.465 10 10 CECEMO CCCCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000195187986 395461404 /nfs/dbraw/zinc/46/14/04/395461404.db2.gz TXIJHKBVNCORHN-AWEZNQCLSA-N 1 1 267.369 2.002 10 10 CECEMO C[C@H](C(=O)Nc1ccc(N)cc1)[N@@H+](C)[C@@H]1CCSC1 ZINC000037174227 173008317 /nfs/dbraw/zinc/00/83/17/173008317.db2.gz BSFJPJPNANYMKB-ZWNOBZJWSA-N 1 1 279.409 2.033 10 10 CECEMO CO[C@H]1C=CC2=CC[N@H+]3CCc4cc(O)c(O)cc4[C@@]23C1 ZINC000015203706 571735278 /nfs/dbraw/zinc/73/52/78/571735278.db2.gz GNBQGLMYBIWCOO-SUMWQHHRSA-N 1 1 285.343 2.066 10 10 endogenous,in-man CECEMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000183257790 329248867 /nfs/dbraw/zinc/24/88/67/329248867.db2.gz ZZOINAVDBIXEPC-GFCCVEGCSA-N 1 1 290.342 2.035 10 10 CECEMO CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1C ZINC000050581035 519949439 /nfs/dbraw/zinc/94/94/39/519949439.db2.gz RDKZSRFKUKGPSM-UHFFFAOYSA-N 1 1 261.413 2.246 10 10 CECEMO C[C@H]([NH2+]CCN(C)C1CC1)c1ccc(F)cc1O ZINC000062748534 525347401 /nfs/dbraw/zinc/34/74/01/525347401.db2.gz FDJWFUCPPGJCLI-JTQLQIEISA-N 1 1 252.333 2.276 10 10 CECEMO O=C(C1CC1)N1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000165016477 639411679 /nfs/dbraw/zinc/41/16/79/639411679.db2.gz QNRIDVCBHWNTEJ-UHFFFAOYSA-N 1 1 292.354 2.022 10 10 CECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000147453917 366575321 /nfs/dbraw/zinc/57/53/21/366575321.db2.gz CCJDDQICEAFIMA-ZDUSSCGKSA-N 1 1 292.379 2.037 10 10 CECEMO C[C@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1[NH+](C)C ZINC000160191309 395059968 /nfs/dbraw/zinc/05/99/68/395059968.db2.gz UMDTUXBEHIIFAE-GWCFXTLKSA-N 1 1 268.788 2.428 10 10 CECEMO C[C@@H](O)[C@@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000309033947 624447514 /nfs/dbraw/zinc/44/75/14/624447514.db2.gz GWBVUUFWRLJTLW-HTQZYQBOSA-N 1 1 274.158 2.014 10 10 CECEMO COCCN1CC[N@@H+](Cc2cc(C)cc(C)c2O)C[C@H]1C ZINC000164341805 639366562 /nfs/dbraw/zinc/36/65/62/639366562.db2.gz RGYVBMRLHLNHIO-OAHLLOKOSA-N 1 1 292.423 2.162 10 10 CECEMO CO[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1C ZINC000275924648 374219752 /nfs/dbraw/zinc/21/97/52/374219752.db2.gz GTKRUNZLMBSXAH-ZWNOBZJWSA-N 1 1 253.317 2.388 10 10 CECEMO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1C ZINC000275924648 374219760 /nfs/dbraw/zinc/21/97/60/374219760.db2.gz GTKRUNZLMBSXAH-ZWNOBZJWSA-N 1 1 253.317 2.388 10 10 CECEMO Oc1c(F)cccc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000158703004 395052065 /nfs/dbraw/zinc/05/20/65/395052065.db2.gz RVVYAHCBZGUZJU-UONOGXRCSA-N 1 1 264.344 2.248 10 10 CECEMO OCCC1([NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000289647001 527533650 /nfs/dbraw/zinc/53/36/50/527533650.db2.gz XVJGUUFSAMOAPF-UHFFFAOYSA-N 1 1 253.317 2.316 10 10 CECEMO [NH3+]CCCC[C@@H]([NH3+])c1ccc(Br)cc1[O-] ZINC000575439907 366288043 /nfs/dbraw/zinc/28/80/43/366288043.db2.gz NWZPHQIFOYZDFV-SNVBAGLBSA-N 1 1 273.174 2.284 10 10 CECEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180017577 368363144 /nfs/dbraw/zinc/36/31/44/368363144.db2.gz JVDDQRULUVTQLB-CQSZACIVSA-N 1 1 294.370 2.412 10 10 CECEMO CC(C)[C@@H](CN[C@H](C)c1cc(O)ccc1O)[NH+](C)C ZINC000020145711 171031112 /nfs/dbraw/zinc/03/11/12/171031112.db2.gz GIXBDXRAMWEFBY-BXUZGUMPSA-N 1 1 266.385 2.335 10 10 CECEMO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000093606973 629226190 /nfs/dbraw/zinc/22/61/90/629226190.db2.gz YMRVBUZUNZWVBV-GASCZTMLSA-N 1 1 290.407 2.132 10 10 CECEMO CNC(=O)c1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000164932456 639406453 /nfs/dbraw/zinc/40/64/53/639406453.db2.gz MGRBMJXGYRETGY-UHFFFAOYSA-N 1 1 288.322 2.181 10 10 CECEMO COCCOCCCC[NH2+]Cc1cccc(F)c1O ZINC000166080900 639446740 /nfs/dbraw/zinc/44/67/40/639446740.db2.gz XAWVZYHNIQAEPL-UHFFFAOYSA-N 1 1 271.332 2.064 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000226611478 639555865 /nfs/dbraw/zinc/55/58/65/639555865.db2.gz AJGMROSGFLAFOA-PWSUYJOCSA-N 1 1 253.317 2.172 10 10 CECEMO C[N@@H+]1Cc2c(N)cccc2[C@@H](c2ccc(O)c(O)c2)C1 ZINC000027102844 361648656 /nfs/dbraw/zinc/64/86/56/361648656.db2.gz ODIYTWXTFQEXKZ-GFCCVEGCSA-N 1 1 270.332 2.257 10 10 CECEMO CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)CCN1CCOC ZINC000120962679 394789746 /nfs/dbraw/zinc/78/97/46/394789746.db2.gz JCCRYQPEHRAVKW-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@@H]1CN(Cc2cc(C)ccc2O)CC[N@@H+]1CCOC ZINC000120962679 394789748 /nfs/dbraw/zinc/78/97/48/394789748.db2.gz JCCRYQPEHRAVKW-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@@H]1CN(Cc2cc(C)ccc2O)CC[N@H+]1CCOC ZINC000120962679 394789749 /nfs/dbraw/zinc/78/97/49/394789749.db2.gz JCCRYQPEHRAVKW-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO C[N@H+](Cc1ccccc1O)C[C@@H](O)COC(C)(C)C ZINC000121151579 394793244 /nfs/dbraw/zinc/79/32/44/394793244.db2.gz NRXCOLJRYJUOJR-CYBMUJFWSA-N 1 1 267.369 2.000 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000184056565 262006553 /nfs/dbraw/zinc/00/65/53/262006553.db2.gz ZAWDUQDTBHCACP-HUUCEWRRSA-N 1 1 290.407 2.459 10 10 CECEMO CCC[C@H](CCO)C[NH2+]Cc1cccc(F)c1O ZINC000226612336 329262297 /nfs/dbraw/zinc/26/22/97/329262297.db2.gz WSWSSFJRDRLNHP-LLVKDONJSA-N 1 1 255.333 2.420 10 10 CECEMO C[N@@H+](CCOCC(F)(F)F)Cc1ccc(N)cc1 ZINC000049311272 522886642 /nfs/dbraw/zinc/88/66/42/522886642.db2.gz RIYZMMOUGQYBHM-UHFFFAOYSA-N 1 1 262.275 2.280 10 10 CECEMO Oc1cccc(Cl)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000211685427 526363685 /nfs/dbraw/zinc/36/36/85/526363685.db2.gz BGOGTMRPLKOVLS-LLVKDONJSA-N 1 1 266.772 2.326 10 10 CECEMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164138025 639350330 /nfs/dbraw/zinc/35/03/30/639350330.db2.gz UWGAGLLJCDCJOX-OAHLLOKOSA-N 1 1 276.380 2.110 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000083445681 642072259 /nfs/dbraw/zinc/07/22/59/642072259.db2.gz BXKOTEDFEOQDQL-CQSZACIVSA-N 1 1 261.296 2.355 10 10 CECEMO [O-]c1ccc(Cl)c(F)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000191344360 369703375 /nfs/dbraw/zinc/70/33/75/369703375.db2.gz SZEJXAKFHJJAJH-SNVBAGLBSA-N 1 1 284.762 2.465 10 10 CECEMO Oc1ccc(Cl)c(F)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000191344360 369703381 /nfs/dbraw/zinc/70/33/81/369703381.db2.gz SZEJXAKFHJJAJH-SNVBAGLBSA-N 1 1 284.762 2.465 10 10 CECEMO Oc1ccc(Cl)c(F)c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000191344360 369703389 /nfs/dbraw/zinc/70/33/89/369703389.db2.gz SZEJXAKFHJJAJH-SNVBAGLBSA-N 1 1 284.762 2.465 10 10 CECEMO C=C(C=C1CCC[N@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644968 174150485 /nfs/dbraw/zinc/15/04/85/174150485.db2.gz IYSUEATZWRPJFI-FKJILZIQSA-N 1 1 268.407 2.360 10 10 CECEMO CO[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)C1(C)C ZINC000226613526 639555981 /nfs/dbraw/zinc/55/59/81/639555981.db2.gz HYVKJLJQAFEPLH-NEPJUHHUSA-N 1 1 253.317 2.434 10 10 CECEMO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1O ZINC000083393105 363771840 /nfs/dbraw/zinc/77/18/40/363771840.db2.gz OHUJIPWYHJXDDU-GFCCVEGCSA-N 1 1 252.333 2.105 10 10 CECEMO COc1ccc(O)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000180331111 368376488 /nfs/dbraw/zinc/37/64/88/368376488.db2.gz AWTIZAHLYZJMRK-GFCCVEGCSA-N 1 1 287.363 2.124 10 10 CECEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000158702875 395052431 /nfs/dbraw/zinc/05/24/31/395052431.db2.gz RVVYAHCBZGUZJU-ZIAGYGMSSA-N 1 1 264.344 2.248 10 10 CECEMO C[C@@H]1CCC[N@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022168270 171366952 /nfs/dbraw/zinc/36/69/52/171366952.db2.gz UBCGOQMXNMGGSN-CJNGLKHVSA-N 1 1 261.413 2.484 10 10 CECEMO C[C@@H]1CCCN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000022168270 171366953 /nfs/dbraw/zinc/36/69/53/171366953.db2.gz UBCGOQMXNMGGSN-CJNGLKHVSA-N 1 1 261.413 2.484 10 10 CECEMO CN(CC[NH2+]Cc1cccc(F)c1O)C(=O)OC(C)(C)C ZINC000226589206 333265872 /nfs/dbraw/zinc/26/58/72/333265872.db2.gz LYUYVPDEIVBOBM-UHFFFAOYSA-N 1 1 298.358 2.488 10 10 CECEMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc(F)c1O ZINC000289873380 524023865 /nfs/dbraw/zinc/02/38/65/524023865.db2.gz VVYZMMNSICNPTK-UQJZFXKTSA-N 1 1 277.339 2.387 10 10 CECEMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccc(F)c1O ZINC000289873380 524023866 /nfs/dbraw/zinc/02/38/66/524023866.db2.gz VVYZMMNSICNPTK-UQJZFXKTSA-N 1 1 277.339 2.387 10 10 CECEMO C[C@@H]([NH2+]CCN(C)C1CC1)c1ccc(F)cc1O ZINC000062748535 525445622 /nfs/dbraw/zinc/44/56/22/525445622.db2.gz FDJWFUCPPGJCLI-SNVBAGLBSA-N 1 1 252.333 2.276 10 10 CECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(F)ccc1O ZINC000180128699 368368235 /nfs/dbraw/zinc/36/82/35/368368235.db2.gz KKYUHINVKAUAPY-AWEZNQCLSA-N 1 1 266.360 2.447 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000158785554 395053300 /nfs/dbraw/zinc/05/33/00/395053300.db2.gz PUUXSEOHLGEQFY-GWCFXTLKSA-N 1 1 253.317 2.172 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000158785690 395053596 /nfs/dbraw/zinc/05/35/96/395053596.db2.gz PUUXSEOHLGEQFY-MFKMUULPSA-N 1 1 253.317 2.172 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(OC)c1O ZINC000184056585 262006387 /nfs/dbraw/zinc/00/63/87/262006387.db2.gz ZAWDUQDTBHCACP-LSDHHAIUSA-N 1 1 290.407 2.459 10 10 CECEMO CC(C)C(=O)N1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000165016338 331305651 /nfs/dbraw/zinc/30/56/51/331305651.db2.gz GCKYRQLIXSSTGK-UHFFFAOYSA-N 1 1 294.370 2.268 10 10 CECEMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(O)cc1C ZINC000160270652 622752912 /nfs/dbraw/zinc/75/29/12/622752912.db2.gz MWNULJBYGNUWHG-ZFWWWQNUSA-N 1 1 290.407 2.378 10 10 CECEMO C[NH+](C)[C@@H]1CCN(Cc2cccc(Cl)c2O)C1 ZINC000160234907 366986337 /nfs/dbraw/zinc/98/63/37/366986337.db2.gz HNLMEGUNWJXDKV-LLVKDONJSA-N 1 1 254.761 2.182 10 10 CECEMO CCC[N@@H+](Cc1nnc(CC)n1C)Cc1ccccc1O ZINC000170779128 367413721 /nfs/dbraw/zinc/41/37/21/367413721.db2.gz FVUZPMRTFUAZJI-UHFFFAOYSA-N 1 1 288.395 2.495 10 10 CECEMO CC(C)[C@H](CNCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000020145401 171030319 /nfs/dbraw/zinc/03/03/19/171030319.db2.gz KVAICGIDNRDCSQ-INIZCTEOSA-N 1 1 263.429 2.428 10 10 CECEMO Nc1cccc2c1CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC000038032665 174028374 /nfs/dbraw/zinc/02/83/74/174028374.db2.gz JGKMEDPYVOCMHO-UHFFFAOYSA-N 1 1 270.332 2.238 10 10 CECEMO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185842770 262309851 /nfs/dbraw/zinc/30/98/51/262309851.db2.gz UWLBVYIGARYRLL-NSHDSACASA-N 1 1 263.316 2.387 10 10 CECEMO CO[C@H]1C=CC2=CC[N@H+]3CCc4cc(O)c(O)cc4[C@]23C1 ZINC000015203703 571735179 /nfs/dbraw/zinc/73/51/79/571735179.db2.gz GNBQGLMYBIWCOO-GUYCJALGSA-N 1 1 285.343 2.066 10 10 endogenous,in-man CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164351382 639366410 /nfs/dbraw/zinc/36/64/10/639366410.db2.gz CPYQMDFHEQOAPM-CYBMUJFWSA-N 1 1 277.364 2.394 10 10 CECEMO OCc1cccc(C[NH2+]Cc2cccc(F)c2O)c1 ZINC000226606624 639554599 /nfs/dbraw/zinc/55/45/99/639554599.db2.gz FMXSLPOPZXQAHA-UHFFFAOYSA-N 1 1 261.296 2.313 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000226611484 639556099 /nfs/dbraw/zinc/55/60/99/639556099.db2.gz AJGMROSGFLAFOA-JQWIXIFHSA-N 1 1 253.317 2.172 10 10 CECEMO C[N@@H+](CCc1ccccn1)Cc1cc(N)ccc1O ZINC000037272941 173084504 /nfs/dbraw/zinc/08/45/04/173084504.db2.gz XTSIOUNRYVCAKI-UHFFFAOYSA-N 1 1 257.337 2.044 10 10 CECEMO CN(Cc1c(O)cccc1Cl)C[C@H]1CC[N@@H+](C)C1 ZINC000156018944 261111490 /nfs/dbraw/zinc/11/14/90/261111490.db2.gz HPXWTZBKLGWPIQ-NSHDSACASA-N 1 1 268.788 2.429 10 10 CECEMO CCN(CC)C[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000158750667 625035075 /nfs/dbraw/zinc/03/50/75/625035075.db2.gz LBSAIQLRCAOPBI-NSHDSACASA-N 1 1 254.349 2.351 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000164937854 639406414 /nfs/dbraw/zinc/40/64/14/639406414.db2.gz DFWZJRRBZZCCQG-GFCCVEGCSA-N 1 1 289.306 2.461 10 10 CECEMO Oc1ccccc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000185223066 641951276 /nfs/dbraw/zinc/95/12/76/641951276.db2.gz RGWAYYJPYNBPAT-AWEZNQCLSA-N 1 1 257.337 2.253 10 10 CECEMO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(F)c1O ZINC000160249404 366988066 /nfs/dbraw/zinc/98/80/66/366988066.db2.gz IFCDDFRNJRBGTG-CYBMUJFWSA-N 1 1 266.360 2.447 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(F)c1O ZINC000160249404 366988072 /nfs/dbraw/zinc/98/80/72/366988072.db2.gz IFCDDFRNJRBGTG-CYBMUJFWSA-N 1 1 266.360 2.447 10 10 CECEMO CCOc1ccc(O)c(CN2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245731956 370864912 /nfs/dbraw/zinc/86/49/12/370864912.db2.gz JYQQCRTXAICDRQ-AWEZNQCLSA-N 1 1 276.380 2.071 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCN1CCCCCC1 ZINC000158733326 526328098 /nfs/dbraw/zinc/32/80/98/526328098.db2.gz CEISCKOHWKHMQT-UHFFFAOYSA-N 1 1 266.360 2.497 10 10 CECEMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000180052742 368366115 /nfs/dbraw/zinc/36/61/15/368366115.db2.gz JQEJLTLPLBGNPU-HNNXBMFYSA-N 1 1 287.363 2.471 10 10 CECEMO CN(C)c1ccc(C[N@@H+](CCN)C2CCCC2)cc1 ZINC000076673463 177054707 /nfs/dbraw/zinc/05/47/07/177054707.db2.gz APCZGBYLODTQSU-UHFFFAOYSA-N 1 1 261.413 2.456 10 10 CECEMO CN(C)c1ccc(CN(CC[NH3+])C2CCCC2)cc1 ZINC000076673463 177054712 /nfs/dbraw/zinc/05/47/12/177054712.db2.gz APCZGBYLODTQSU-UHFFFAOYSA-N 1 1 261.413 2.456 10 10 CECEMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000049553153 524476688 /nfs/dbraw/zinc/47/66/88/524476688.db2.gz PLFLWTCQCYXURI-QWRGUYRKSA-N 1 1 252.358 2.089 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000226611472 639555872 /nfs/dbraw/zinc/55/58/72/639555872.db2.gz AJGMROSGFLAFOA-CMPLNLGQSA-N 1 1 253.317 2.172 10 10 CECEMO CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](N(C)C)C2)c1O ZINC000131475861 366057235 /nfs/dbraw/zinc/05/72/35/366057235.db2.gz CZBSRYFAZUNNRH-GXTWGEPZSA-N 1 1 278.396 2.173 10 10 CECEMO CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](N(C)C)C2)c1O ZINC000131475861 366057242 /nfs/dbraw/zinc/05/72/42/366057242.db2.gz CZBSRYFAZUNNRH-GXTWGEPZSA-N 1 1 278.396 2.173 10 10 CECEMO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(F)c1O ZINC000160249544 366987705 /nfs/dbraw/zinc/98/77/05/366987705.db2.gz IFCDDFRNJRBGTG-ZDUSSCGKSA-N 1 1 266.360 2.447 10 10 CECEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(F)c1O ZINC000160249544 366987714 /nfs/dbraw/zinc/98/77/14/366987714.db2.gz IFCDDFRNJRBGTG-ZDUSSCGKSA-N 1 1 266.360 2.447 10 10 CECEMO CO[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1C ZINC000221277499 370239561 /nfs/dbraw/zinc/23/95/61/370239561.db2.gz GTKRUNZLMBSXAH-GWCFXTLKSA-N 1 1 253.317 2.388 10 10 CECEMO CO[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1C ZINC000221277499 370239564 /nfs/dbraw/zinc/23/95/64/370239564.db2.gz GTKRUNZLMBSXAH-GWCFXTLKSA-N 1 1 253.317 2.388 10 10 CECEMO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(O)cc1O ZINC000049553155 525596361 /nfs/dbraw/zinc/59/63/61/525596361.db2.gz PLFLWTCQCYXURI-WDEREUQCSA-N 1 1 252.358 2.089 10 10 CECEMO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1O ZINC000217748992 540168787 /nfs/dbraw/zinc/16/87/87/540168787.db2.gz CZBSRYFAZUNNRH-OCCSQVGLSA-N 1 1 278.396 2.173 10 10 CECEMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](N(C)C)C2)c1O ZINC000217748992 540168792 /nfs/dbraw/zinc/16/87/92/540168792.db2.gz CZBSRYFAZUNNRH-OCCSQVGLSA-N 1 1 278.396 2.173 10 10 CECEMO CCOc1ccc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245789164 370873819 /nfs/dbraw/zinc/87/38/19/370873819.db2.gz VVADUHOSRKGTLZ-UKRRQHHQSA-N 1 1 290.407 2.459 10 10 CECEMO COC[C@]1(C)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000294119320 377911515 /nfs/dbraw/zinc/91/15/15/377911515.db2.gz DNJDSONDVFTSHO-CQSZACIVSA-N 1 1 253.317 2.390 10 10 CECEMO COC[C@]1(C)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000294119320 377911519 /nfs/dbraw/zinc/91/15/19/377911519.db2.gz DNJDSONDVFTSHO-CQSZACIVSA-N 1 1 253.317 2.390 10 10 CECEMO CC(C)[C@@H](CN[C@@H](C)c1cc(O)ccc1O)[NH+](C)C ZINC000020145709 171031333 /nfs/dbraw/zinc/03/13/33/171031333.db2.gz GIXBDXRAMWEFBY-SMDDNHRTSA-N 1 1 266.385 2.335 10 10 CECEMO COc1cc(O)c(C[N@H+]2CCS[C@@H](C)C2)cc1OC ZINC000160145206 261205905 /nfs/dbraw/zinc/20/59/05/261205905.db2.gz JDZQSQLIKGLJFN-JTQLQIEISA-N 1 1 283.393 2.347 10 10 CECEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)ccc1O ZINC000185663565 262064834 /nfs/dbraw/zinc/06/48/34/262064834.db2.gz WXKBTIPVMGUCBU-CABZTGNLSA-N 1 1 276.315 2.309 10 10 CECEMO C[C@H]([NH2+]Cc1cccc(F)c1O)C1CCOCC1 ZINC000226615617 329262260 /nfs/dbraw/zinc/26/22/60/329262260.db2.gz NQKFTUZZHPAHHX-JTQLQIEISA-N 1 1 253.317 2.436 10 10 CECEMO CC(C)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000291624392 519627824 /nfs/dbraw/zinc/62/78/24/519627824.db2.gz RVKSTBILDRNNRP-LLVKDONJSA-N 1 1 254.349 2.350 10 10 CECEMO [NH3+]Cc1ccc(N2CCN(CC3CC3)CC2)c(Cl)c1 ZINC000062793024 527256203 /nfs/dbraw/zinc/25/62/03/527256203.db2.gz IXUHCQMQSICBHH-UHFFFAOYSA-N 1 1 279.815 2.331 10 10 CECEMO Cc1ncsc1C[N@H+](C)Cc1cc(N)ccc1O ZINC000104448194 186005674 /nfs/dbraw/zinc/00/56/74/186005674.db2.gz PAKRUMAZHHQYRA-UHFFFAOYSA-N 1 1 263.366 2.371 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000151623222 366655480 /nfs/dbraw/zinc/65/54/80/366655480.db2.gz XPPWGTRSXKXLCG-CYBMUJFWSA-N 1 1 277.364 2.394 10 10 CECEMO COc1cccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000131919977 394922008 /nfs/dbraw/zinc/92/20/08/394922008.db2.gz GMWISNLIGAVARS-CQSZACIVSA-N 1 1 287.363 2.471 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000158785966 395053488 /nfs/dbraw/zinc/05/34/88/395053488.db2.gz PUUXSEOHLGEQFY-ZWNOBZJWSA-N 1 1 253.317 2.172 10 10 CECEMO CCOCCN1CC[N@@H+](Cc2ccccc2O)C[C@H]1CC ZINC000179571779 395196734 /nfs/dbraw/zinc/19/67/34/395196734.db2.gz PYYLZCYPBBPUDF-MRXNPFEDSA-N 1 1 292.423 2.325 10 10 CECEMO CCOCC[N@@H+]1CCN(Cc2ccccc2O)C[C@H]1CC ZINC000179571779 395196736 /nfs/dbraw/zinc/19/67/36/395196736.db2.gz PYYLZCYPBBPUDF-MRXNPFEDSA-N 1 1 292.423 2.325 10 10 CECEMO CCOCC[N@H+]1CCN(Cc2ccccc2O)C[C@H]1CC ZINC000179571779 395196740 /nfs/dbraw/zinc/19/67/40/395196740.db2.gz PYYLZCYPBBPUDF-MRXNPFEDSA-N 1 1 292.423 2.325 10 10 CECEMO C[C@@H]1C[N@H+](CCCC(=O)Nc2ccc(N)cc2)C[C@H](C)O1 ZINC000022153016 171360201 /nfs/dbraw/zinc/36/02/01/171360201.db2.gz HUUPOEPUOLCQJV-BETUJISGSA-N 1 1 291.395 2.097 10 10 CECEMO C[C@H]1CCC[N@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022168273 171366989 /nfs/dbraw/zinc/36/69/89/171366989.db2.gz UBCGOQMXNMGGSN-BBRMVZONSA-N 1 1 261.413 2.484 10 10 CECEMO C[C@H]1CCCN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000022168273 171366991 /nfs/dbraw/zinc/36/69/91/171366991.db2.gz UBCGOQMXNMGGSN-BBRMVZONSA-N 1 1 261.413 2.484 10 10 CECEMO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc(F)c4O)[C@H]1[C@H]3C2 ZINC000289873384 523789871 /nfs/dbraw/zinc/78/98/71/523789871.db2.gz VVYZMMNSICNPTK-USVVHCSSSA-N 1 1 277.339 2.387 10 10 CECEMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cccc(F)c4O)[C@H]1[C@H]3C2 ZINC000289873384 523789879 /nfs/dbraw/zinc/78/98/79/523789879.db2.gz VVYZMMNSICNPTK-USVVHCSSSA-N 1 1 277.339 2.387 10 10 CECEMO COc1cc(O)c(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000159456310 629325474 /nfs/dbraw/zinc/32/54/74/629325474.db2.gz JEMMCAWBWWXTLS-QWRGUYRKSA-N 1 1 281.352 2.019 10 10 CECEMO CCOc1ccc(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000245789153 370873737 /nfs/dbraw/zinc/87/37/37/370873737.db2.gz VVADUHOSRKGTLZ-HIFRSBDPSA-N 1 1 290.407 2.459 10 10 CECEMO CC[C@H]1CN(Cc2cc(F)ccc2O)CC[N@H+]1CCOC ZINC000180100594 368368258 /nfs/dbraw/zinc/36/82/58/368368258.db2.gz JFUWIDMCKMPXFB-HNNXBMFYSA-N 1 1 296.386 2.074 10 10 CECEMO CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1CCOC ZINC000180100594 368368265 /nfs/dbraw/zinc/36/82/65/368368265.db2.gz JFUWIDMCKMPXFB-HNNXBMFYSA-N 1 1 296.386 2.074 10 10 CECEMO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1CCOC ZINC000180100594 368368267 /nfs/dbraw/zinc/36/82/67/368368267.db2.gz JFUWIDMCKMPXFB-HNNXBMFYSA-N 1 1 296.386 2.074 10 10 CECEMO COc1ccc(O)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000180052758 368366311 /nfs/dbraw/zinc/36/63/11/368366311.db2.gz JQEJLTLPLBGNPU-OAHLLOKOSA-N 1 1 287.363 2.471 10 10 CECEMO Cn1cc([C@H]2CC[N@@H+](Cc3ccccc3O)C2)cn1 ZINC000179577569 395197070 /nfs/dbraw/zinc/19/70/70/395197070.db2.gz NCGFSIGKJWUEPE-LBPRGKRZSA-N 1 1 257.337 2.115 10 10 CECEMO C[NH+](C)Cc1ccccc1CNCc1ccc(O)c(O)c1 ZINC000020128588 171015059 /nfs/dbraw/zinc/01/50/59/171015059.db2.gz AHVHEXCXPBYSFJ-UHFFFAOYSA-N 1 1 286.375 2.449 10 10 CECEMO [NH3+]C1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC000020521472 171234970 /nfs/dbraw/zinc/23/49/70/171234970.db2.gz SFYGYWXMOJTXJO-UHFFFAOYSA-N 1 1 256.349 2.469 10 10 CECEMO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000049553232 524168913 /nfs/dbraw/zinc/16/89/13/524168913.db2.gz LBRFDLRMCZLMRE-MNOVXSKESA-N 1 1 252.358 2.089 10 10 CECEMO C[C@H](CC[NH+](C)C)N[C@@H](C)c1cc(O)ccc1O ZINC000049553232 524168919 /nfs/dbraw/zinc/16/89/19/524168919.db2.gz LBRFDLRMCZLMRE-MNOVXSKESA-N 1 1 252.358 2.089 10 10 CECEMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128514279 525343039 /nfs/dbraw/zinc/34/30/39/525343039.db2.gz ZINRDKMGUVKGCR-CYBMUJFWSA-N 1 1 271.364 2.424 10 10 CECEMO Cc1cnc(C[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000062748504 526044811 /nfs/dbraw/zinc/04/48/11/526044811.db2.gz UDAMNCHCMYHOCO-SNVBAGLBSA-N 1 1 261.300 2.481 10 10 CECEMO Cc1noc(C)c1C[NH2+]Cc1cccc(F)c1O ZINC000158806368 625037756 /nfs/dbraw/zinc/03/77/56/625037756.db2.gz GZGOCZVCKSRFCT-UHFFFAOYSA-N 1 1 250.273 2.426 10 10 CECEMO C[C@@H]([NH2+]Cc1cscn1)c1cc(O)ccc1O ZINC000104435119 186001712 /nfs/dbraw/zinc/00/17/12/186001712.db2.gz ZESGXZVVTHOEKH-MRVPVSSYSA-N 1 1 250.323 2.405 10 10 CECEMO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000158721254 395052742 /nfs/dbraw/zinc/05/27/42/395052742.db2.gz OEIGUFNUIBGMIU-NSHDSACASA-N 1 1 264.344 2.105 10 10 CECEMO Cc1nn(C)c(C)c1C[NH2+]Cc1cccc(F)c1O ZINC000158805942 395054539 /nfs/dbraw/zinc/05/45/39/395054539.db2.gz WXZVAGFVLNCVQI-UHFFFAOYSA-N 1 1 263.316 2.171 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O ZINC000182076085 395231903 /nfs/dbraw/zinc/23/19/03/395231903.db2.gz SIEOHCVDEHZRNE-LSDHHAIUSA-N 1 1 290.407 2.459 10 10 CECEMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022151500 171358410 /nfs/dbraw/zinc/35/84/10/171358410.db2.gz GFMRBYMIWMESRL-LBPRGKRZSA-N 1 1 261.369 2.329 10 10 CECEMO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(F)c1O ZINC000226590716 262379423 /nfs/dbraw/zinc/37/94/23/262379423.db2.gz QWXIKZAUYUDDTR-LLVKDONJSA-N 1 1 254.349 2.351 10 10 CECEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000246027195 334228195 /nfs/dbraw/zinc/22/81/95/334228195.db2.gz VSHLZTVFUMXMFV-FZMZJTMJSA-N 1 1 264.344 2.200 10 10 CECEMO CC(=O)c1cc(F)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000094351187 518283892 /nfs/dbraw/zinc/28/38/92/518283892.db2.gz CASZLNMEKOHVOE-CQSZACIVSA-N 1 1 292.354 2.014 10 10 CECEMO Cc1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1O ZINC000180066663 368366166 /nfs/dbraw/zinc/36/61/66/368366166.db2.gz MNXBLGJKWUHEEN-CQSZACIVSA-N 1 1 272.352 2.129 10 10 CECEMO CC(C)N1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000020189050 171054567 /nfs/dbraw/zinc/05/45/67/171054567.db2.gz VMDHSKWXKPUROC-UHFFFAOYSA-N 1 1 264.369 2.060 10 10 CECEMO CC1CC[NH+]([C@H](CN)c2ccc(N(C)C)cc2)CC1 ZINC000038827588 174156161 /nfs/dbraw/zinc/15/61/61/174156161.db2.gz SVBHLBNYXOAYLS-MRXNPFEDSA-N 1 1 261.413 2.484 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000184055731 262006518 /nfs/dbraw/zinc/00/65/18/262006518.db2.gz ZWTRZZCDIWBVEN-LSDHHAIUSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000184055731 262006520 /nfs/dbraw/zinc/00/65/20/262006520.db2.gz ZWTRZZCDIWBVEN-LSDHHAIUSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@H]1CN2CCC[C@@H]2C[N@H+]1Cc1ccccc1O ZINC000184055731 262006522 /nfs/dbraw/zinc/00/65/22/262006522.db2.gz ZWTRZZCDIWBVEN-LSDHHAIUSA-N 1 1 260.381 2.451 10 10 CECEMO Cc1cccc(C[N@H+]2CCN3CCCC[C@H]3C2)c1O ZINC000245849434 334221687 /nfs/dbraw/zinc/22/16/87/334221687.db2.gz MBVGRPONJFNYSP-HNNXBMFYSA-N 1 1 260.381 2.371 10 10 CECEMO Cc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1O ZINC000245849434 334221688 /nfs/dbraw/zinc/22/16/88/334221688.db2.gz MBVGRPONJFNYSP-HNNXBMFYSA-N 1 1 260.381 2.371 10 10 CECEMO Cc1cccc(CN2CC[N@H+]3CCCC[C@H]3C2)c1O ZINC000245849434 334221690 /nfs/dbraw/zinc/22/16/90/334221690.db2.gz MBVGRPONJFNYSP-HNNXBMFYSA-N 1 1 260.381 2.371 10 10 CECEMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1O ZINC000123219289 365636113 /nfs/dbraw/zinc/63/61/13/365636113.db2.gz INDOBGCWFYEGBS-CYBMUJFWSA-N 1 1 293.363 2.176 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CSCCS1 ZINC000166138262 367318340 /nfs/dbraw/zinc/31/83/40/367318340.db2.gz BQLKCEJVWMZKMS-JTQLQIEISA-N 1 1 273.398 2.470 10 10 CECEMO COC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000226565010 329261359 /nfs/dbraw/zinc/26/13/59/329261359.db2.gz BPLOKHVTWZNKSQ-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO COC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000226565010 329261361 /nfs/dbraw/zinc/26/13/61/329261361.db2.gz BPLOKHVTWZNKSQ-LLVKDONJSA-N 1 1 253.317 2.390 10 10 CECEMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(F)cc2O)cn1 ZINC000062748503 526043358 /nfs/dbraw/zinc/04/33/58/526043358.db2.gz UDAMNCHCMYHOCO-JTQLQIEISA-N 1 1 261.300 2.481 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000226610570 639556063 /nfs/dbraw/zinc/55/60/63/639556063.db2.gz BTLUAXLMULVFOC-LBPRGKRZSA-N 1 1 267.325 2.416 10 10 CECEMO C[N@@H+](Cc1ccc(N)cc1)C1CCC2(CC1)OCCO2 ZINC000140803077 344399118 /nfs/dbraw/zinc/39/91/18/344399118.db2.gz RLLWNRZXAAJFGN-UHFFFAOYSA-N 1 1 276.380 2.386 10 10 CECEMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)c1 ZINC000189993613 369585861 /nfs/dbraw/zinc/58/58/61/369585861.db2.gz AVGQGGKVYKRXOQ-INIZCTEOSA-N 1 1 293.363 2.318 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@]2(C)C(=O)OC)c1 ZINC000189993613 369585869 /nfs/dbraw/zinc/58/58/69/369585869.db2.gz AVGQGGKVYKRXOQ-INIZCTEOSA-N 1 1 293.363 2.318 10 10 CECEMO CCN(CC[NH2+]Cc1cccc(F)c1O)C1CC1 ZINC000226589268 370347387 /nfs/dbraw/zinc/34/73/87/370347387.db2.gz WGXZUVYDLPTKLU-UHFFFAOYSA-N 1 1 252.333 2.105 10 10 CECEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cc(F)ccc1O ZINC000185663525 262065558 /nfs/dbraw/zinc/06/55/58/262065558.db2.gz WXKBTIPVMGUCBU-JOYOIKCWSA-N 1 1 276.315 2.309 10 10 CECEMO Cc1cccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000245866446 334222069 /nfs/dbraw/zinc/22/20/69/334222069.db2.gz QGTJLRLAUNXNIG-HIFRSBDPSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@H+]2C[C@@H]3CCCN3C[C@H]2C)c1O ZINC000245866446 334222070 /nfs/dbraw/zinc/22/20/70/334222070.db2.gz QGTJLRLAUNXNIG-HIFRSBDPSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@@H+]2C[C@@H]3CCCN3C[C@H]2C)c1O ZINC000245866446 334222071 /nfs/dbraw/zinc/22/20/71/334222071.db2.gz QGTJLRLAUNXNIG-HIFRSBDPSA-N 1 1 260.381 2.369 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179643529 368346237 /nfs/dbraw/zinc/34/62/37/368346237.db2.gz JVDBKNCGTZNLFL-CYBMUJFWSA-N 1 1 263.337 2.086 10 10 CECEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](n3cncn3)C2)cc1C ZINC000119500345 394768484 /nfs/dbraw/zinc/76/84/84/394768484.db2.gz GGDMKAWDURCATL-OAHLLOKOSA-N 1 1 286.379 2.438 10 10 CECEMO Nc1cccc2c1CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC000038032626 174028741 /nfs/dbraw/zinc/02/87/41/174028741.db2.gz IBSRNHDKDBZFNT-UHFFFAOYSA-N 1 1 270.332 2.238 10 10 CECEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cc(F)ccc1O ZINC000185663580 262064495 /nfs/dbraw/zinc/06/44/95/262064495.db2.gz WXKBTIPVMGUCBU-SKDRFNHKSA-N 1 1 276.315 2.309 10 10 CECEMO CCOc1ccc(O)c(CN2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000245573087 370842660 /nfs/dbraw/zinc/84/26/60/370842660.db2.gz YSFJKINNGMHHLD-HNNXBMFYSA-N 1 1 290.407 2.461 10 10 CECEMO CCOc1ccc(O)c(C[N@@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000245573087 370842663 /nfs/dbraw/zinc/84/26/63/370842663.db2.gz YSFJKINNGMHHLD-HNNXBMFYSA-N 1 1 290.407 2.461 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCN3CCCC[C@H]3C2)c1 ZINC000245573087 370842666 /nfs/dbraw/zinc/84/26/66/370842666.db2.gz YSFJKINNGMHHLD-HNNXBMFYSA-N 1 1 290.407 2.461 10 10 CECEMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CC[NH+](C)C1 ZINC000154657859 261093757 /nfs/dbraw/zinc/09/37/57/261093757.db2.gz ZEABLPGWKPTRPC-LLVKDONJSA-N 1 1 268.788 2.429 10 10 CECEMO C[NH+](Cc1cccc(Cl)c1[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000154657859 261093759 /nfs/dbraw/zinc/09/37/59/261093759.db2.gz ZEABLPGWKPTRPC-LLVKDONJSA-N 1 1 268.788 2.429 10 10 CECEMO C[NH+](Cc1cccc(Cl)c1[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000154657859 261093761 /nfs/dbraw/zinc/09/37/61/261093761.db2.gz ZEABLPGWKPTRPC-LLVKDONJSA-N 1 1 268.788 2.429 10 10 CECEMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CC[NH+](C)C1 ZINC000154657758 261093978 /nfs/dbraw/zinc/09/39/78/261093978.db2.gz ZEABLPGWKPTRPC-NSHDSACASA-N 1 1 268.788 2.429 10 10 CECEMO C[NH+](Cc1cccc(Cl)c1[O-])C[C@H]1CC[N@H+](C)C1 ZINC000154657758 261093979 /nfs/dbraw/zinc/09/39/79/261093979.db2.gz ZEABLPGWKPTRPC-NSHDSACASA-N 1 1 268.788 2.429 10 10 CECEMO C[NH+](Cc1cccc(Cl)c1[O-])C[C@H]1CC[N@@H+](C)C1 ZINC000154657758 261093980 /nfs/dbraw/zinc/09/39/80/261093980.db2.gz ZEABLPGWKPTRPC-NSHDSACASA-N 1 1 268.788 2.429 10 10 CECEMO CC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)CCN1CCOC ZINC000180087064 641412537 /nfs/dbraw/zinc/41/25/37/641412537.db2.gz DWXHFJJNKMIQNY-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@@H]1CN(Cc2cccc(C)c2O)CC[N@@H+]1CCOC ZINC000180087064 641412540 /nfs/dbraw/zinc/41/25/40/641412540.db2.gz DWXHFJJNKMIQNY-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@@H]1CN(Cc2cccc(C)c2O)CC[N@H+]1CCOC ZINC000180087064 641412543 /nfs/dbraw/zinc/41/25/43/641412543.db2.gz DWXHFJJNKMIQNY-MRXNPFEDSA-N 1 1 292.423 2.243 10 10 CECEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182336482 641646784 /nfs/dbraw/zinc/64/67/84/641646784.db2.gz DNNQRZYMYCCXOX-SNVBAGLBSA-N 1 1 290.367 2.171 10 10 CECEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cccc(C)c1O ZINC000189985248 369585032 /nfs/dbraw/zinc/58/50/32/369585032.db2.gz MYSLSIOSTRRLSI-HNNXBMFYSA-N 1 1 263.337 2.228 10 10 CECEMO CCn1cc([C@@H]2C[N@H+](Cc3ccccc3O)CCO2)cn1 ZINC000191695913 369733941 /nfs/dbraw/zinc/73/39/41/369733941.db2.gz YOHNQVLVHGEADX-INIZCTEOSA-N 1 1 287.363 2.182 10 10 CECEMO CCn1cc([C@@H]2C[N@@H+](Cc3ccccc3O)CCO2)cn1 ZINC000191695913 369733945 /nfs/dbraw/zinc/73/39/45/369733945.db2.gz YOHNQVLVHGEADX-INIZCTEOSA-N 1 1 287.363 2.182 10 10 CECEMO CO[C@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@H]1C ZINC000275924646 374220441 /nfs/dbraw/zinc/22/04/41/374220441.db2.gz GTKRUNZLMBSXAH-MFKMUULPSA-N 1 1 253.317 2.388 10 10 CECEMO CO[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@H]1C ZINC000275924646 374220449 /nfs/dbraw/zinc/22/04/49/374220449.db2.gz GTKRUNZLMBSXAH-MFKMUULPSA-N 1 1 253.317 2.388 10 10 CECEMO Oc1ccccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000179567734 395197159 /nfs/dbraw/zinc/19/71/59/395197159.db2.gz STHMSMXMTQLLHS-ZDUSSCGKSA-N 1 1 276.361 2.422 10 10 CECEMO Oc1ccccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000179567734 395197161 /nfs/dbraw/zinc/19/71/61/395197161.db2.gz STHMSMXMTQLLHS-ZDUSSCGKSA-N 1 1 276.361 2.422 10 10 CECEMO CC[C@@H](C)[N@@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273449 173085963 /nfs/dbraw/zinc/08/59/63/173085963.db2.gz ADPJCKGRRQDRSI-GFCCVEGCSA-N 1 1 263.385 2.352 10 10 CECEMO CC(=O)c1cc(F)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000246422387 334257247 /nfs/dbraw/zinc/25/72/47/334257247.db2.gz CASZLNMEKOHVOE-AWEZNQCLSA-N 1 1 292.354 2.014 10 10 CECEMO C[C@H](CCN(C)C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000049553234 524168992 /nfs/dbraw/zinc/16/89/92/524168992.db2.gz LBRFDLRMCZLMRE-GHMZBOCLSA-N 1 1 252.358 2.089 10 10 CECEMO C[C@H](CC[NH+](C)C)N[C@H](C)c1cc(O)ccc1O ZINC000049553234 524168999 /nfs/dbraw/zinc/16/89/99/524168999.db2.gz LBRFDLRMCZLMRE-GHMZBOCLSA-N 1 1 252.358 2.089 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164351643 639364852 /nfs/dbraw/zinc/36/48/52/639364852.db2.gz SGELLJAQDPDOMC-GFCCVEGCSA-N 1 1 293.363 2.094 10 10 CECEMO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(F)cc1O ZINC000062747610 639783547 /nfs/dbraw/zinc/78/35/47/639783547.db2.gz FZHJDBANSNAERE-WCQGTBRESA-N 1 1 253.317 2.485 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1 ZINC000123256759 365635670 /nfs/dbraw/zinc/63/56/70/365635670.db2.gz QEZBCFHQFPBQCB-GFCCVEGCSA-N 1 1 293.363 2.176 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000166138131 367318217 /nfs/dbraw/zinc/31/82/17/367318217.db2.gz BQLKCEJVWMZKMS-SNVBAGLBSA-N 1 1 273.398 2.470 10 10 CECEMO COC(=O)[C@H]1CCCN1Cc1cccc(Cl)c1O ZINC000179661144 368347111 /nfs/dbraw/zinc/34/71/11/368347111.db2.gz BSPYDBYYVPSOMT-LLVKDONJSA-N 1 1 269.728 2.183 10 10 CECEMO CCCCOC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000195187973 395461321 /nfs/dbraw/zinc/46/13/21/395461321.db2.gz TXIJHKBVNCORHN-CQSZACIVSA-N 1 1 267.369 2.002 10 10 CECEMO CCCN1CCC([NH2+]Cc2ccc(O)cc2O)CC1 ZINC000020189624 171055827 /nfs/dbraw/zinc/05/58/27/171055827.db2.gz JLJCEZUPBIMEBN-UHFFFAOYSA-N 1 1 264.369 2.062 10 10 CECEMO CC[C@](C)(O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000123432541 268053846 /nfs/dbraw/zinc/05/38/46/268053846.db2.gz XNUARHYLULHBDB-KRWDZBQOSA-N 1 1 292.423 2.368 10 10 CECEMO CN1CCCc2cc([C@H](CN)[NH+]3CCCC3)ccc21 ZINC000034936235 277087865 /nfs/dbraw/zinc/08/78/65/277087865.db2.gz KLUAUWBSSNPNSI-INIZCTEOSA-N 1 1 259.397 2.165 10 10 CECEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000246027199 334228183 /nfs/dbraw/zinc/22/81/83/334228183.db2.gz VSHLZTVFUMXMFV-RISCZKNCSA-N 1 1 264.344 2.200 10 10 CECEMO CCN1CCC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000158731044 625033174 /nfs/dbraw/zinc/03/31/74/625033174.db2.gz CQABXSRGORPTBG-GFCCVEGCSA-N 1 1 252.333 2.105 10 10 CECEMO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2O)C1(C)C ZINC000226613518 639555394 /nfs/dbraw/zinc/55/53/94/639555394.db2.gz HYVKJLJQAFEPLH-VXGBXAGGSA-N 1 1 253.317 2.434 10 10 CECEMO Oc1c(F)cccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000226343892 370337166 /nfs/dbraw/zinc/33/71/66/370337166.db2.gz RVVYAHCBZGUZJU-KBPBESRZSA-N 1 1 264.344 2.248 10 10 CECEMO CCOc1ccc(O)c(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000093437633 394665744 /nfs/dbraw/zinc/66/57/44/394665744.db2.gz VVADUHOSRKGTLZ-ZFWWWQNUSA-N 1 1 290.407 2.459 10 10 CECEMO CCOc1ccc(O)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000179549921 395195541 /nfs/dbraw/zinc/19/55/41/395195541.db2.gz JYQQCRTXAICDRQ-CQSZACIVSA-N 1 1 276.380 2.071 10 10 CECEMO Oc1ccccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000179567750 395196947 /nfs/dbraw/zinc/19/69/47/395196947.db2.gz STHMSMXMTQLLHS-CYBMUJFWSA-N 1 1 276.361 2.422 10 10 CECEMO Oc1ccccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000179567750 395196951 /nfs/dbraw/zinc/19/69/51/395196951.db2.gz STHMSMXMTQLLHS-CYBMUJFWSA-N 1 1 276.361 2.422 10 10 CECEMO CC(C)[C@@H](CNCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000020145399 171030490 /nfs/dbraw/zinc/03/04/90/171030490.db2.gz KVAICGIDNRDCSQ-MRXNPFEDSA-N 1 1 263.429 2.428 10 10 CECEMO CCNC(=O)[C@H](C)[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365435 172155590 /nfs/dbraw/zinc/15/55/90/172155590.db2.gz YCNYSDMAOILIDU-LBPRGKRZSA-N 1 1 263.385 2.004 10 10 CECEMO CCOc1ccc(O)c(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000093437634 260517739 /nfs/dbraw/zinc/51/77/39/260517739.db2.gz VVADUHOSRKGTLZ-DZGCQCFKSA-N 1 1 290.407 2.459 10 10 CECEMO CC[C@@](C)(O)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000123432765 268053499 /nfs/dbraw/zinc/05/34/99/268053499.db2.gz XNUARHYLULHBDB-QGZVFWFLSA-N 1 1 292.423 2.368 10 10 CECEMO CCOCCN1CC[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1C ZINC000120897275 647606658 /nfs/dbraw/zinc/60/66/58/647606658.db2.gz RSIVQNUDSLBXNR-HNNXBMFYSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@@H]1CN(Cc2cc(F)ccc2O)CC[N@H+]1CCOC ZINC000180100582 368368179 /nfs/dbraw/zinc/36/81/79/368368179.db2.gz JFUWIDMCKMPXFB-OAHLLOKOSA-N 1 1 296.386 2.074 10 10 CECEMO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1CCOC ZINC000180100582 368368183 /nfs/dbraw/zinc/36/81/83/368368183.db2.gz JFUWIDMCKMPXFB-OAHLLOKOSA-N 1 1 296.386 2.074 10 10 CECEMO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CCN1CCOC ZINC000180100582 368368186 /nfs/dbraw/zinc/36/81/86/368368186.db2.gz JFUWIDMCKMPXFB-OAHLLOKOSA-N 1 1 296.386 2.074 10 10 CECEMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cccc(C)c1O ZINC000189985272 369585228 /nfs/dbraw/zinc/58/52/28/369585228.db2.gz MYSLSIOSTRRLSI-OAHLLOKOSA-N 1 1 263.337 2.228 10 10 CECEMO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000189994397 369586584 /nfs/dbraw/zinc/58/65/84/369586584.db2.gz YTLRYMSXRCGXMV-AWEZNQCLSA-N 1 1 267.300 2.059 10 10 CECEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(F)ccc1O ZINC000189994397 369586585 /nfs/dbraw/zinc/58/65/85/369586585.db2.gz YTLRYMSXRCGXMV-AWEZNQCLSA-N 1 1 267.300 2.059 10 10 CECEMO CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OC)c1O ZINC000122285884 394811554 /nfs/dbraw/zinc/81/15/54/394811554.db2.gz SOMYQVOZLVJKLU-ZDUSSCGKSA-N 1 1 293.363 2.318 10 10 CECEMO CCOc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OC)c1O ZINC000122285884 394811559 /nfs/dbraw/zinc/81/15/59/394811559.db2.gz SOMYQVOZLVJKLU-ZDUSSCGKSA-N 1 1 293.363 2.318 10 10 CECEMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022156456 171362745 /nfs/dbraw/zinc/36/27/45/171362745.db2.gz MLJMZXMNDQEGGW-GFCCVEGCSA-N 1 1 261.369 2.472 10 10 CECEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)C1CCOCC1 ZINC000226615610 329262498 /nfs/dbraw/zinc/26/24/98/329262498.db2.gz NQKFTUZZHPAHHX-SNVBAGLBSA-N 1 1 253.317 2.436 10 10 CECEMO C[C@@H]([NH2+]Cc1cccc(F)c1O)c1nnc2ccccn21 ZINC000164962041 639408929 /nfs/dbraw/zinc/40/89/29/639408929.db2.gz JAHHYJZAFFXLEU-SNVBAGLBSA-N 1 1 286.310 2.425 10 10 CECEMO CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000226583986 639554562 /nfs/dbraw/zinc/55/45/62/639554562.db2.gz AXGUXPDRMAGRLT-UHFFFAOYSA-N 1 1 254.349 2.351 10 10 CECEMO C[NH+](C)[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000134170091 652785391 /nfs/dbraw/zinc/78/53/91/652785391.db2.gz DNDGSXPQQRZEHP-LLVKDONJSA-N 1 1 299.212 2.291 10 10 CECEMO CN(Cc1ccccc1)c1ccc2c(c1)N(C)C(=O)[C@H]2[NH3+] ZINC000131337701 344357320 /nfs/dbraw/zinc/35/73/20/344357320.db2.gz RAJKQSRSKCVICD-INIZCTEOSA-N 1 1 281.359 2.299 10 10 CECEMO CCOc1ccc(O)c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000092616202 364088014 /nfs/dbraw/zinc/08/80/14/364088014.db2.gz YSFJKINNGMHHLD-OAHLLOKOSA-N 1 1 290.407 2.461 10 10 CECEMO CCOc1ccc(O)c(C[N@@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000092616202 364088016 /nfs/dbraw/zinc/08/80/16/364088016.db2.gz YSFJKINNGMHHLD-OAHLLOKOSA-N 1 1 290.407 2.461 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCN3CCCC[C@@H]3C2)c1 ZINC000092616202 364088019 /nfs/dbraw/zinc/08/80/19/364088019.db2.gz YSFJKINNGMHHLD-OAHLLOKOSA-N 1 1 290.407 2.461 10 10 CECEMO COCCN1CC[N@@H+](Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000117323575 365102483 /nfs/dbraw/zinc/10/24/83/365102483.db2.gz QNLDUWRHMMSMNW-OAHLLOKOSA-N 1 1 292.423 2.162 10 10 CECEMO COCC[N@@H+]1CCN(Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000117323575 365102487 /nfs/dbraw/zinc/10/24/87/365102487.db2.gz QNLDUWRHMMSMNW-OAHLLOKOSA-N 1 1 292.423 2.162 10 10 CECEMO COCC[N@H+]1CCN(Cc2cc(C)c(C)cc2O)C[C@H]1C ZINC000117323575 365102493 /nfs/dbraw/zinc/10/24/93/365102493.db2.gz QNLDUWRHMMSMNW-OAHLLOKOSA-N 1 1 292.423 2.162 10 10 CECEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180017589 368362959 /nfs/dbraw/zinc/36/29/59/368362959.db2.gz JVDDQRULUVTQLB-AWEZNQCLSA-N 1 1 294.370 2.412 10 10 CECEMO CCn1cc([C@H]2C[N@H+](Cc3ccccc3O)CCO2)cn1 ZINC000191695927 369733681 /nfs/dbraw/zinc/73/36/81/369733681.db2.gz YOHNQVLVHGEADX-MRXNPFEDSA-N 1 1 287.363 2.182 10 10 CECEMO CCn1cc([C@H]2C[N@@H+](Cc3ccccc3O)CCO2)cn1 ZINC000191695927 369733691 /nfs/dbraw/zinc/73/36/91/369733691.db2.gz YOHNQVLVHGEADX-MRXNPFEDSA-N 1 1 287.363 2.182 10 10 CECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000022153721 171360530 /nfs/dbraw/zinc/36/05/30/171360530.db2.gz RTHLAOKDNXFCTN-RYUDHWBXSA-N 1 1 261.369 2.470 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000184055711 262006214 /nfs/dbraw/zinc/00/62/14/262006214.db2.gz ZWTRZZCDIWBVEN-HUUCEWRRSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1ccccc1O ZINC000184055711 262006215 /nfs/dbraw/zinc/00/62/15/262006215.db2.gz ZWTRZZCDIWBVEN-HUUCEWRRSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1ccccc1O ZINC000184055711 262006217 /nfs/dbraw/zinc/00/62/17/262006217.db2.gz ZWTRZZCDIWBVEN-HUUCEWRRSA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@](C)(O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000160430509 623288279 /nfs/dbraw/zinc/28/82/79/623288279.db2.gz QDBYNJMGTVUOOC-KRWDZBQOSA-N 1 1 292.423 2.116 10 10 CECEMO CC[C@H]1C[N@@H+](Cc2cccc(C)c2O)CCN1CCOC ZINC000180087084 628071369 /nfs/dbraw/zinc/07/13/69/628071369.db2.gz DWXHFJJNKMIQNY-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@H]1CN(Cc2cccc(C)c2O)CC[N@@H+]1CCOC ZINC000180087084 628071371 /nfs/dbraw/zinc/07/13/71/628071371.db2.gz DWXHFJJNKMIQNY-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO CC[C@H]1CN(Cc2cccc(C)c2O)CC[N@H+]1CCOC ZINC000180087084 628071373 /nfs/dbraw/zinc/07/13/73/628071373.db2.gz DWXHFJJNKMIQNY-INIZCTEOSA-N 1 1 292.423 2.243 10 10 CECEMO CO[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C1(C)C ZINC000226613535 639556007 /nfs/dbraw/zinc/55/60/07/639556007.db2.gz HYVKJLJQAFEPLH-RYUDHWBXSA-N 1 1 253.317 2.434 10 10 CECEMO C[NH+](C)[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000134170289 652785954 /nfs/dbraw/zinc/78/59/54/652785954.db2.gz DNDGSXPQQRZEHP-NSHDSACASA-N 1 1 299.212 2.291 10 10 CECEMO [NH3+][C@@H](CF)c1cc(Br)cc(F)c1O ZINC000238572370 344606790 /nfs/dbraw/zinc/60/67/90/344606790.db2.gz WNRLBBCNAVDFEI-ZETCQYMHSA-N 1 1 252.058 2.263 10 10 CECEMO CCOc1cccc(C[N@H+](C)C[C@H]2CCN(C)C2)c1O ZINC000156020289 366826203 /nfs/dbraw/zinc/82/62/03/366826203.db2.gz AZNYDRIUHHBFDL-ZDUSSCGKSA-N 1 1 278.396 2.174 10 10 CECEMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCN(C)C2)c1O ZINC000156020289 366826204 /nfs/dbraw/zinc/82/62/04/366826204.db2.gz AZNYDRIUHHBFDL-ZDUSSCGKSA-N 1 1 278.396 2.174 10 10 CECEMO CCOc1cccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC)c1O ZINC000189989755 369586553 /nfs/dbraw/zinc/58/65/53/369586553.db2.gz IDAOXDBQFCTGOS-INIZCTEOSA-N 1 1 293.363 2.318 10 10 CECEMO CCOc1cccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC)c1O ZINC000189989755 369586556 /nfs/dbraw/zinc/58/65/56/369586556.db2.gz IDAOXDBQFCTGOS-INIZCTEOSA-N 1 1 293.363 2.318 10 10 CECEMO COc1cccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000131919779 394921979 /nfs/dbraw/zinc/92/19/79/394921979.db2.gz GMWISNLIGAVARS-AWEZNQCLSA-N 1 1 287.363 2.471 10 10 CECEMO CC1CCN(CC[NH2+]Cc2cccc(F)c2O)CC1 ZINC000158733484 395052721 /nfs/dbraw/zinc/05/27/21/395052721.db2.gz UOOMWHDNBQZFPO-UHFFFAOYSA-N 1 1 266.360 2.353 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCc1nccs1 ZINC000158766528 395053855 /nfs/dbraw/zinc/05/38/55/395053855.db2.gz LBVZMSJEJFFFLQ-UHFFFAOYSA-N 1 1 252.314 2.320 10 10 CECEMO CC(C)[C@H](CN[C@H](C)c1cc(O)ccc1O)[NH+](C)C ZINC000020145712 171031001 /nfs/dbraw/zinc/03/10/01/171031001.db2.gz GIXBDXRAMWEFBY-RISCZKNCSA-N 1 1 266.385 2.335 10 10 CECEMO C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(O)cc1O ZINC000049553154 524168297 /nfs/dbraw/zinc/16/82/97/524168297.db2.gz PLFLWTCQCYXURI-MNOVXSKESA-N 1 1 252.358 2.089 10 10 CECEMO Cc1cc(C)c(O)c(CN2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000178892511 629236173 /nfs/dbraw/zinc/23/61/73/629236173.db2.gz RHRGKFRBBSJEDJ-OAHLLOKOSA-N 1 1 260.381 2.289 10 10 CECEMO Cc1cc(C)c(O)c(C[N@@H+]2CCN3CCC[C@@H]3C2)c1 ZINC000178892511 629236177 /nfs/dbraw/zinc/23/61/77/629236177.db2.gz RHRGKFRBBSJEDJ-OAHLLOKOSA-N 1 1 260.381 2.289 10 10 CECEMO Cc1cc(C)c(O)c(C[N@H+]2CCN3CCC[C@@H]3C2)c1 ZINC000178892511 629236179 /nfs/dbraw/zinc/23/61/79/629236179.db2.gz RHRGKFRBBSJEDJ-OAHLLOKOSA-N 1 1 260.381 2.289 10 10 CECEMO COc1cc(C)cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000164393506 639366814 /nfs/dbraw/zinc/36/68/14/639366814.db2.gz HMAWIOFEYNVTED-DZGCQCFKSA-N 1 1 290.407 2.378 10 10 CECEMO Cc1cccc(C[N@H+]2CCC[C@H](n3cncn3)C2)c1O ZINC000180066641 368367243 /nfs/dbraw/zinc/36/72/43/368367243.db2.gz MNXBLGJKWUHEEN-AWEZNQCLSA-N 1 1 272.352 2.129 10 10 CECEMO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@H]1[NH+](C)C ZINC000252781414 371478464 /nfs/dbraw/zinc/47/84/64/371478464.db2.gz UMDTUXBEHIIFAE-ZWNOBZJWSA-N 1 1 268.788 2.428 10 10 CECEMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000007982897 170311621 /nfs/dbraw/zinc/31/16/21/170311621.db2.gz SQPUHTQLXZGKCV-HNNXBMFYSA-N 1 1 284.359 2.385 10 10 CECEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(N)cc1 ZINC000022210350 171372922 /nfs/dbraw/zinc/37/29/22/171372922.db2.gz BBMOBDAHEWUPFC-TXEJJXNPSA-N 1 1 261.369 2.470 10 10 CECEMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000128504636 525342773 /nfs/dbraw/zinc/34/27/73/525342773.db2.gz PABJSIYVFNWGDR-AWEZNQCLSA-N 1 1 286.379 2.204 10 10 CECEMO OC[C@H]([NH2+]Cc1cccc(F)c1O)C1CCCC1 ZINC000290961931 527609520 /nfs/dbraw/zinc/60/95/20/527609520.db2.gz RQYQVUNXQLYBJJ-ZDUSSCGKSA-N 1 1 253.317 2.172 10 10 CECEMO CCn1c(C)nnc1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182336466 628154072 /nfs/dbraw/zinc/15/40/72/628154072.db2.gz DNNQRZYMYCCXOX-JTQLQIEISA-N 1 1 290.367 2.171 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000123183923 365635725 /nfs/dbraw/zinc/63/57/25/365635725.db2.gz PMRVOCALTDBROK-CQSZACIVSA-N 1 1 276.380 2.138 10 10 CECEMO COc1c(C[N@H+](C)Cc2ccccc2O)c(C)nn1C ZINC000091974455 364072543 /nfs/dbraw/zinc/07/25/43/364072543.db2.gz OIGNRUGTRAVDFH-UHFFFAOYSA-N 1 1 275.352 2.075 10 10 CECEMO COc1c(C[N@@H+](C)Cc2ccccc2O)c(C)nn1C ZINC000091974455 364072546 /nfs/dbraw/zinc/07/25/46/364072546.db2.gz OIGNRUGTRAVDFH-UHFFFAOYSA-N 1 1 275.352 2.075 10 10 CECEMO CC[N@@H+](Cc1ccc(N)cc1)[C@@H](C)C(=O)NC(C)C ZINC000035364042 172153348 /nfs/dbraw/zinc/15/33/48/172153348.db2.gz NXJUMLRYLDJOTH-LBPRGKRZSA-N 1 1 263.385 2.004 10 10 CECEMO CC(C)C[N@H+]1CCO[C@H](COc2ccc(N)cc2)C1 ZINC000038055478 174066958 /nfs/dbraw/zinc/06/69/58/174066958.db2.gz IGOGDQAAOLLGBB-HNNXBMFYSA-N 1 1 264.369 2.004 10 10 CECEMO CC1CC[NH+]([C@@H](CN)c2ccc(N(C)C)cc2)CC1 ZINC000038827587 174156637 /nfs/dbraw/zinc/15/66/37/174156637.db2.gz SVBHLBNYXOAYLS-INIZCTEOSA-N 1 1 261.413 2.484 10 10 CECEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1O ZINC000296260173 327093643 /nfs/dbraw/zinc/09/36/43/327093643.db2.gz OBMZPLKYTFYXFN-OTYXRUKQSA-N 1 1 281.327 2.079 10 10 CECEMO Oc1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000179567618 329209783 /nfs/dbraw/zinc/20/97/83/329209783.db2.gz CZWZILCSEUPBTJ-UHFFFAOYSA-N 1 1 257.337 2.495 10 10 CECEMO C[C@@H]([NH2+]Cc1cccc(Br)c1O)[C@H](C)O ZINC000309033951 624447666 /nfs/dbraw/zinc/44/76/66/624447666.db2.gz GWBVUUFWRLJTLW-SFYZADRCSA-N 1 1 274.158 2.014 10 10 CECEMO C[N@@H+](CCOc1cccc(N)c1)CCc1ccc(N)cc1 ZINC000584594881 344961381 /nfs/dbraw/zinc/96/13/81/344961381.db2.gz AHUVZYIEKHZJRL-UHFFFAOYSA-N 1 1 285.391 2.404 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(F)ccc1O ZINC000180128676 368367714 /nfs/dbraw/zinc/36/77/14/368367714.db2.gz KKYUHINVKAUAPY-CQSZACIVSA-N 1 1 266.360 2.447 10 10 CECEMO CN(Cc1c(O)cccc1Cl)C[C@@H]1CC[N@@H+](C)C1 ZINC000156019059 261111235 /nfs/dbraw/zinc/11/12/35/261111235.db2.gz HPXWTZBKLGWPIQ-LLVKDONJSA-N 1 1 268.788 2.429 10 10 CECEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C)ccc1O ZINC000189994702 369586547 /nfs/dbraw/zinc/58/65/47/369586547.db2.gz MLWBWGYWPJXZJI-HNNXBMFYSA-N 1 1 263.337 2.228 10 10 CECEMO Oc1c(F)cccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000226343884 370336788 /nfs/dbraw/zinc/33/67/88/370336788.db2.gz RVVYAHCBZGUZJU-KGLIPLIRSA-N 1 1 264.344 2.248 10 10 CECEMO Nc1ccc(NC(=O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022214988 171375420 /nfs/dbraw/zinc/37/54/20/171375420.db2.gz MZYRXJJATJDUMU-UHFFFAOYSA-N 1 1 281.359 2.266 10 10 CECEMO Nc1ccc(NC(=O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022214988 171375421 /nfs/dbraw/zinc/37/54/21/171375421.db2.gz MZYRXJJATJDUMU-UHFFFAOYSA-N 1 1 281.359 2.266 10 10 CECEMO CCC[C@@H](CCO)C[NH2+]Cc1cccc(F)c1O ZINC000226612329 329262373 /nfs/dbraw/zinc/26/23/73/329262373.db2.gz WSWSSFJRDRLNHP-NSHDSACASA-N 1 1 255.333 2.420 10 10 CECEMO CN(C)C1(C[NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000158836433 524037295 /nfs/dbraw/zinc/03/72/95/524037295.db2.gz AHRYNQGHMYNGCW-UHFFFAOYSA-N 1 1 266.360 2.495 10 10 CECEMO CCOc1cccc(C[N@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1O ZINC000217749076 540169145 /nfs/dbraw/zinc/16/91/45/540169145.db2.gz CZBSRYFAZUNNRH-JSGCOSHPSA-N 1 1 278.396 2.173 10 10 CECEMO CCOc1cccc(C[N@@H+]2C[C@H](N(C)C)[C@@H](C)C2)c1O ZINC000217749076 540169148 /nfs/dbraw/zinc/16/91/48/540169148.db2.gz CZBSRYFAZUNNRH-JSGCOSHPSA-N 1 1 278.396 2.173 10 10 CECEMO CC(C)(C)OC(=O)NCC[NH2+]Cc1cccc(F)c1O ZINC000226619423 370349252 /nfs/dbraw/zinc/34/92/52/370349252.db2.gz JIWCWPWVFGVXLW-UHFFFAOYSA-N 1 1 284.331 2.146 10 10 CECEMO Cc1cc(O)c(CN2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000247083186 371061798 /nfs/dbraw/zinc/06/17/98/371061798.db2.gz NKGULVJHELXOHL-HNNXBMFYSA-N 1 1 260.381 2.289 10 10 CECEMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)N(C)C1CC1 ZINC000226607804 278283474 /nfs/dbraw/zinc/28/34/74/278283474.db2.gz AFVDLHKZIXZFJZ-JTQLQIEISA-N 1 1 252.333 2.104 10 10 CECEMO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000183257772 329248996 /nfs/dbraw/zinc/24/89/96/329248996.db2.gz ZZOINAVDBIXEPC-LBPRGKRZSA-N 1 1 290.342 2.035 10 10 CECEMO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000226609367 329262366 /nfs/dbraw/zinc/26/23/66/329262366.db2.gz FZRBIQDZKMIUHX-LLVKDONJSA-N 1 1 255.333 2.418 10 10 CECEMO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(F)c1O ZINC000164991724 331305664 /nfs/dbraw/zinc/30/56/64/331305664.db2.gz KBCOFZRLEHUXLW-ZDUSSCGKSA-N 1 1 275.327 2.432 10 10 CECEMO Cc1ccc(OCc2cn3ccccc3n2)c(N)[nH+]1 ZINC000050440923 525445390 /nfs/dbraw/zinc/44/53/90/525445390.db2.gz OQADRRAEKPGQHI-UHFFFAOYSA-N 1 1 254.293 2.199 10 10 CECEMO Nc1ccc(CC[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000050513838 527479730 /nfs/dbraw/zinc/47/97/30/527479730.db2.gz XYBYDCQJJJLLIZ-UHFFFAOYSA-N 1 1 270.376 2.306 10 10 CECEMO CCOCCN1CC[N@@H+](Cc2cccc(C)c2O)C[C@@H]1C ZINC000180086601 641412502 /nfs/dbraw/zinc/41/25/02/641412502.db2.gz XCMQIRZEIMCICK-HNNXBMFYSA-N 1 1 292.423 2.243 10 10 CECEMO C[C@H]([NH2+]Cc1cscn1)c1cc(O)ccc1O ZINC000104435113 186001578 /nfs/dbraw/zinc/00/15/78/186001578.db2.gz ZESGXZVVTHOEKH-QMMMGPOBSA-N 1 1 250.323 2.405 10 10 CECEMO Cc1cc(O)c(CN2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000172502702 395104015 /nfs/dbraw/zinc/10/40/15/395104015.db2.gz NKGULVJHELXOHL-OAHLLOKOSA-N 1 1 260.381 2.289 10 10 CECEMO CC[C@H](C)[N@@H+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273451 173085239 /nfs/dbraw/zinc/08/52/39/173085239.db2.gz ADPJCKGRRQDRSI-LBPRGKRZSA-N 1 1 263.385 2.352 10 10 CECEMO C[N@@H+](Cc1cccc(F)c1O)C[C@@H]1CCCOC1 ZINC000160237336 264237096 /nfs/dbraw/zinc/23/70/96/264237096.db2.gz AUBCQKHYZGKETD-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO C[N@H+](Cc1cccc(F)c1O)C[C@@H]1CCCOC1 ZINC000160237336 264237099 /nfs/dbraw/zinc/23/70/99/264237099.db2.gz AUBCQKHYZGKETD-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO CC(C)(C)OC(=O)N1CC([NH2+]Cc2cccc(F)c2O)C1 ZINC000226613425 639556284 /nfs/dbraw/zinc/55/62/84/639556284.db2.gz NQQFVLIYSZXYOY-UHFFFAOYSA-N 1 1 296.342 2.240 10 10 CECEMO COc1cc(Br)c(O)c([C@@H]([NH3+])CF)c1 ZINC000238450479 344606795 /nfs/dbraw/zinc/60/67/95/344606795.db2.gz XLURDLWQMSRQSJ-QMMMGPOBSA-N 1 1 264.094 2.133 10 10 CECEMO C[N@@H+]1Cc2c(N)cccc2[C@H](c2ccc(O)c(O)c2)C1 ZINC000027102842 361648766 /nfs/dbraw/zinc/64/87/66/361648766.db2.gz ODIYTWXTFQEXKZ-LBPRGKRZSA-N 1 1 270.332 2.257 10 10 CECEMO COc1ccc(O)c(C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000180041451 261834510 /nfs/dbraw/zinc/83/45/10/261834510.db2.gz BNRIXTYKBGPZFS-JTQLQIEISA-N 1 1 253.367 2.338 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000164939287 331305533 /nfs/dbraw/zinc/30/55/33/331305533.db2.gz CNHRDCUNTOETFQ-CYBMUJFWSA-N 1 1 283.343 2.207 10 10 CECEMO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000529669759 333504748 /nfs/dbraw/zinc/50/47/48/333504748.db2.gz PCDYOOSQBSFLBN-XHSYRHOGSA-N 1 1 253.317 2.433 10 10 CECEMO COC(=O)CCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062747627 523031016 /nfs/dbraw/zinc/03/10/16/523031016.db2.gz JFWUYXDCLDBSAA-SECBINFHSA-N 1 1 255.289 2.135 10 10 CECEMO CCCN1CCN(c2ccc([C@H](C)[NH3+])cc2F)CC1 ZINC000019872661 534932982 /nfs/dbraw/zinc/93/29/82/534932982.db2.gz DZHJSXJFSUEZRS-LBPRGKRZSA-N 1 1 265.376 2.377 10 10 CECEMO COc1cc(Cl)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1O ZINC000312657530 628361281 /nfs/dbraw/zinc/36/12/81/628361281.db2.gz GREGGFPXDKIMMX-ZWKOPEQDSA-N 1 1 296.798 2.223 10 10 CECEMO CO[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C1(C)C ZINC000226613530 639555751 /nfs/dbraw/zinc/55/57/51/639555751.db2.gz HYVKJLJQAFEPLH-NWDGAFQWSA-N 1 1 253.317 2.434 10 10 CECEMO CCOc1ccc(O)c(C[N@@H+]2CCC[C@]2(C)C(=O)OC)c1 ZINC000189993635 369586398 /nfs/dbraw/zinc/58/63/98/369586398.db2.gz AVGQGGKVYKRXOQ-MRXNPFEDSA-N 1 1 293.363 2.318 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCC[C@]2(C)C(=O)OC)c1 ZINC000189993635 369586404 /nfs/dbraw/zinc/58/64/04/369586404.db2.gz AVGQGGKVYKRXOQ-MRXNPFEDSA-N 1 1 293.363 2.318 10 10 CECEMO CC(C)(CCCO)C[NH2+]Cc1cccc(F)c1O ZINC000226618720 370349377 /nfs/dbraw/zinc/34/93/77/370349377.db2.gz IPDYKBSOCSAYLO-UHFFFAOYSA-N 1 1 255.333 2.420 10 10 CECEMO Cc1cccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1O ZINC000228177101 370398962 /nfs/dbraw/zinc/39/89/62/370398962.db2.gz QGTJLRLAUNXNIG-UKRRQHHQSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@H+]2C[C@H]3CCCN3C[C@H]2C)c1O ZINC000228177101 370398966 /nfs/dbraw/zinc/39/89/66/370398966.db2.gz QGTJLRLAUNXNIG-UKRRQHHQSA-N 1 1 260.381 2.369 10 10 CECEMO Cc1cccc(C[N@@H+]2C[C@H]3CCCN3C[C@H]2C)c1O ZINC000228177101 370398971 /nfs/dbraw/zinc/39/89/71/370398971.db2.gz QGTJLRLAUNXNIG-UKRRQHHQSA-N 1 1 260.381 2.369 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000158785833 395053903 /nfs/dbraw/zinc/05/39/03/395053903.db2.gz PUUXSEOHLGEQFY-GXFFZTMASA-N 1 1 253.317 2.172 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(OC)ccc1O ZINC000182076066 395232943 /nfs/dbraw/zinc/23/29/43/395232943.db2.gz SIEOHCVDEHZRNE-HUUCEWRRSA-N 1 1 290.407 2.459 10 10 CECEMO OC[C@@H]([NH2+]Cc1cccc(F)c1O)C1CCCC1 ZINC000290961926 527583427 /nfs/dbraw/zinc/58/34/27/527583427.db2.gz RQYQVUNXQLYBJJ-CYBMUJFWSA-N 1 1 253.317 2.172 10 10 CECEMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](CCO)C2)c1O ZINC000226811762 639565315 /nfs/dbraw/zinc/56/53/15/639565315.db2.gz TXAAVYVPZNFCCR-NSHDSACASA-N 1 1 297.782 2.453 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CC1CCC(O)CC1 ZINC000227644045 639599140 /nfs/dbraw/zinc/59/91/40/639599140.db2.gz CCWHLZSFLWJHCL-UHFFFAOYSA-N 1 1 253.317 2.172 10 10 CECEMO COc1cccc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000131388471 652421387 /nfs/dbraw/zinc/42/13/87/652421387.db2.gz QGSYNYXPNOTGEK-JTQLQIEISA-N 1 1 253.367 2.338 10 10 CECEMO CCC(CC)[C@H](O)C[NH2+]Cc1cccc(F)c1O ZINC000226609949 370349367 /nfs/dbraw/zinc/34/93/67/370349367.db2.gz SNWXQZGAYFSBPZ-CYBMUJFWSA-N 1 1 255.333 2.418 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000248403840 371186913 /nfs/dbraw/zinc/18/69/13/371186913.db2.gz ZAWDUQDTBHCACP-CABCVRRESA-N 1 1 290.407 2.459 10 10 CECEMO CC(C)C[C@@H](C[NH+](C)C)NCc1ccc(O)c(O)c1 ZINC000037166785 173001288 /nfs/dbraw/zinc/00/12/88/173001288.db2.gz UJUKWJWYEKXOND-ZDUSSCGKSA-N 1 1 266.385 2.164 10 10 CECEMO CC[N@H+](CC(=O)N(C)c1ccc(N)cc1)CC(C)C ZINC000037273427 173085928 /nfs/dbraw/zinc/08/59/28/173085928.db2.gz RMAVIHSKVOLEAY-UHFFFAOYSA-N 1 1 263.385 2.210 10 10 CECEMO COc1cc(Cl)cc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1O ZINC000312657526 628360521 /nfs/dbraw/zinc/36/05/21/628360521.db2.gz GREGGFPXDKIMMX-TVYUQYBPSA-N 1 1 296.798 2.223 10 10 CECEMO Nc1ccc([NH+]2CCC3(CC2)c2cccnc2NC3=O)cc1 ZINC000584649005 367175476 /nfs/dbraw/zinc/17/54/76/367175476.db2.gz RWPXDIZKEPMPEF-UHFFFAOYSA-N 1 1 294.358 2.154 10 10 CECEMO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000529669757 380183293 /nfs/dbraw/zinc/18/32/93/380183293.db2.gz PCDYOOSQBSFLBN-COMAGPEQSA-N 1 1 253.317 2.433 10 10 CECEMO CN1CCCc2cc([C@@H](CN)[NH+]3CCCC3)ccc21 ZINC000034936234 394493107 /nfs/dbraw/zinc/49/31/07/394493107.db2.gz KLUAUWBSSNPNSI-MRXNPFEDSA-N 1 1 259.397 2.165 10 10 CECEMO COc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188415831 623537166 /nfs/dbraw/zinc/53/71/66/623537166.db2.gz ZEMDIZQBPHFITC-AWEZNQCLSA-N 1 1 287.363 2.262 10 10 CECEMO COCCC[N@H+](CCOC)Cc1cccc(F)c1O ZINC000160215388 366983544 /nfs/dbraw/zinc/98/35/44/366983544.db2.gz SAVQAMCNAMZLIP-UHFFFAOYSA-N 1 1 271.332 2.016 10 10 CECEMO COCCC[N@@H+](CCOC)Cc1cccc(F)c1O ZINC000160215388 366983549 /nfs/dbraw/zinc/98/35/49/366983549.db2.gz SAVQAMCNAMZLIP-UHFFFAOYSA-N 1 1 271.332 2.016 10 10 CECEMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCS1 ZINC000171606460 367577543 /nfs/dbraw/zinc/57/75/43/367577543.db2.gz RAKQFHNCULYSNI-VIFPVBQESA-N 1 1 267.350 2.058 10 10 CECEMO CN(C)CC1([NH2+]Cc2cccc(F)c2O)CCC1 ZINC000281306559 375370709 /nfs/dbraw/zinc/37/07/09/375370709.db2.gz QDVRBQIEKDNKFI-UHFFFAOYSA-N 1 1 252.333 2.105 10 10 CECEMO C[C@@H](CN1CCCCC1)[NH2+]Cc1cccc(F)c1O ZINC000158716261 395052485 /nfs/dbraw/zinc/05/24/85/395052485.db2.gz CATDSFUNKLKSEY-LBPRGKRZSA-N 1 1 266.360 2.495 10 10 CECEMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022151496 171358527 /nfs/dbraw/zinc/35/85/27/171358527.db2.gz GFMRBYMIWMESRL-GFCCVEGCSA-N 1 1 261.369 2.329 10 10 CECEMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022156460 171362582 /nfs/dbraw/zinc/36/25/82/171362582.db2.gz MLJMZXMNDQEGGW-LBPRGKRZSA-N 1 1 261.369 2.472 10 10 CECEMO CC[C@H](C)N(C)CC[NH2+]Cc1cccc(F)c1O ZINC000226590724 262379526 /nfs/dbraw/zinc/37/95/26/262379526.db2.gz QWXIKZAUYUDDTR-NSHDSACASA-N 1 1 254.349 2.351 10 10 CECEMO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(O)ccc1O ZINC000049553233 525597179 /nfs/dbraw/zinc/59/71/79/525597179.db2.gz LBRFDLRMCZLMRE-WDEREUQCSA-N 1 1 252.358 2.089 10 10 CECEMO C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cc(O)ccc1O ZINC000049553233 525597188 /nfs/dbraw/zinc/59/71/88/525597188.db2.gz LBRFDLRMCZLMRE-WDEREUQCSA-N 1 1 252.358 2.089 10 10 CECEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164137911 639350243 /nfs/dbraw/zinc/35/02/43/639350243.db2.gz UWGAGLLJCDCJOX-HNNXBMFYSA-N 1 1 276.380 2.110 10 10 CECEMO CO[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC[C@@H]1C ZINC000221277441 370239363 /nfs/dbraw/zinc/23/93/63/370239363.db2.gz GTKRUNZLMBSXAH-GXFFZTMASA-N 1 1 253.317 2.388 10 10 CECEMO CO[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC[C@@H]1C ZINC000221277441 370239372 /nfs/dbraw/zinc/23/93/72/370239372.db2.gz GTKRUNZLMBSXAH-GXFFZTMASA-N 1 1 253.317 2.388 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(OC)ccc1O ZINC000248418231 371191417 /nfs/dbraw/zinc/19/14/17/371191417.db2.gz SIEOHCVDEHZRNE-CABCVRRESA-N 1 1 290.407 2.459 10 10 CECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000022152238 171359577 /nfs/dbraw/zinc/35/95/77/171359577.db2.gz HPDDKNGBKNUYGX-NEPJUHHUSA-N 1 1 261.369 2.328 10 10 CECEMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(F)c1O ZINC000164991613 331305653 /nfs/dbraw/zinc/30/56/53/331305653.db2.gz KBCOFZRLEHUXLW-CYBMUJFWSA-N 1 1 275.327 2.432 10 10 CECEMO CN(C)c1ccc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000128486269 522176541 /nfs/dbraw/zinc/17/65/41/522176541.db2.gz XXVUUUBLGKKDKU-INIZCTEOSA-N 1 1 299.422 2.256 10 10 CECEMO C[C@@H](O)[C@H](C)[NH2+]Cc1cccc(Br)c1O ZINC000309033949 624447485 /nfs/dbraw/zinc/44/74/85/624447485.db2.gz GWBVUUFWRLJTLW-JGVFFNPUSA-N 1 1 274.158 2.014 10 10 CECEMO COc1cc(Cl)cc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1O ZINC000312657523 628360679 /nfs/dbraw/zinc/36/06/79/628360679.db2.gz GREGGFPXDKIMMX-BIMULSAOSA-N 1 1 296.798 2.223 10 10 CECEMO CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1O ZINC000131476075 366056495 /nfs/dbraw/zinc/05/64/95/366056495.db2.gz CZBSRYFAZUNNRH-TZMCWYRMSA-N 1 1 278.396 2.173 10 10 CECEMO CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](N(C)C)C2)c1O ZINC000131476075 366056502 /nfs/dbraw/zinc/05/65/02/366056502.db2.gz CZBSRYFAZUNNRH-TZMCWYRMSA-N 1 1 278.396 2.173 10 10 CECEMO Nc1ccc(C[NH+]2CCN(c3nccs3)CC2)cc1 ZINC000019267791 361524558 /nfs/dbraw/zinc/52/45/58/361524558.db2.gz QIWPARBSRUYMFD-UHFFFAOYSA-N 1 1 274.393 2.048 10 10 CECEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2ccccc2O)cn1 ZINC000180074517 368366351 /nfs/dbraw/zinc/36/63/51/368366351.db2.gz ZZSFYUKCMPLGCP-AWEZNQCLSA-N 1 1 257.337 2.463 10 10 CECEMO CCCN1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062792813 519859983 /nfs/dbraw/zinc/85/99/83/519859983.db2.gz ZANOPYOPJGFEDU-UHFFFAOYSA-N 1 1 267.804 2.331 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000164937728 639405894 /nfs/dbraw/zinc/40/58/94/639405894.db2.gz DFWZJRRBZZCCQG-LBPRGKRZSA-N 1 1 289.306 2.461 10 10 CECEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000119504915 365282605 /nfs/dbraw/zinc/28/26/05/365282605.db2.gz ASTZRKUCLICFON-CYBMUJFWSA-N 1 1 292.770 2.474 10 10 CECEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248404139 371187643 /nfs/dbraw/zinc/18/76/43/371187643.db2.gz ZWTRZZCDIWBVEN-CABCVRRESA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1ccccc1O ZINC000248404139 371187644 /nfs/dbraw/zinc/18/76/44/371187644.db2.gz ZWTRZZCDIWBVEN-CABCVRRESA-N 1 1 260.381 2.451 10 10 CECEMO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1ccccc1O ZINC000248404139 371187645 /nfs/dbraw/zinc/18/76/45/371187645.db2.gz ZWTRZZCDIWBVEN-CABCVRRESA-N 1 1 260.381 2.451 10 10 CECEMO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000529669758 380183667 /nfs/dbraw/zinc/18/36/67/380183667.db2.gz PCDYOOSQBSFLBN-QISWUMQESA-N 1 1 253.317 2.433 10 10 CECEMO Cc1cccc(C[N@H+]2CCN3CCCC[C@@H]3C2)c1O ZINC000124576650 394838983 /nfs/dbraw/zinc/83/89/83/394838983.db2.gz MBVGRPONJFNYSP-OAHLLOKOSA-N 1 1 260.381 2.371 10 10 CECEMO Cc1cccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1O ZINC000124576650 394838986 /nfs/dbraw/zinc/83/89/86/394838986.db2.gz MBVGRPONJFNYSP-OAHLLOKOSA-N 1 1 260.381 2.371 10 10 CECEMO Cc1cccc(CN2CC[N@H+]3CCCC[C@@H]3C2)c1O ZINC000124576650 394838988 /nfs/dbraw/zinc/83/89/88/394838988.db2.gz MBVGRPONJFNYSP-OAHLLOKOSA-N 1 1 260.381 2.371 10 10 CECEMO CCOCCN1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CC ZINC000179571790 395196849 /nfs/dbraw/zinc/19/68/49/395196849.db2.gz PYYLZCYPBBPUDF-INIZCTEOSA-N 1 1 292.423 2.325 10 10 CECEMO CCOCC[N@@H+]1CCN(Cc2ccccc2O)C[C@@H]1CC ZINC000179571790 395196852 /nfs/dbraw/zinc/19/68/52/395196852.db2.gz PYYLZCYPBBPUDF-INIZCTEOSA-N 1 1 292.423 2.325 10 10 CECEMO CCOCC[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1CC ZINC000179571790 395196856 /nfs/dbraw/zinc/19/68/56/395196856.db2.gz PYYLZCYPBBPUDF-INIZCTEOSA-N 1 1 292.423 2.325 10 10 CECEMO CCNC(=O)[C@@H](C)[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365434 172155117 /nfs/dbraw/zinc/15/51/17/172155117.db2.gz YCNYSDMAOILIDU-GFCCVEGCSA-N 1 1 263.385 2.004 10 10 CECEMO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(=O)OC)c1 ZINC000179806993 261817081 /nfs/dbraw/zinc/81/70/81/261817081.db2.gz MNIUDPRSHJKHDS-AWEZNQCLSA-N 1 1 293.363 2.318 10 10 CECEMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2C(=O)OC)c1 ZINC000179806993 261817082 /nfs/dbraw/zinc/81/70/82/261817082.db2.gz MNIUDPRSHJKHDS-AWEZNQCLSA-N 1 1 293.363 2.318 10 10 CECEMO Oc1c(F)cccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000164939163 331305487 /nfs/dbraw/zinc/30/54/87/331305487.db2.gz CNHRDCUNTOETFQ-ZDUSSCGKSA-N 1 1 283.343 2.207 10 10 CECEMO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(F)c1O ZINC000529669756 333504808 /nfs/dbraw/zinc/50/48/08/333504808.db2.gz PCDYOOSQBSFLBN-BSTOTGJRSA-N 1 1 253.317 2.433 10 10 CECEMO COC(=O)[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000124769220 365659012 /nfs/dbraw/zinc/65/90/12/365659012.db2.gz BCKNCIPJPKMOBZ-CYBMUJFWSA-N 1 1 263.337 2.146 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(OC)c1O ZINC000156084061 366826626 /nfs/dbraw/zinc/82/66/26/366826626.db2.gz LOCQSGFBDNLZQV-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cccc(OC)c1O ZINC000156084061 366826632 /nfs/dbraw/zinc/82/66/32/366826632.db2.gz LOCQSGFBDNLZQV-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cccc(OC)c1O ZINC000156084061 366826643 /nfs/dbraw/zinc/82/66/43/366826643.db2.gz LOCQSGFBDNLZQV-CQSZACIVSA-N 1 1 278.396 2.317 10 10 CECEMO Oc1c(Cl)cccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245839651 370879084 /nfs/dbraw/zinc/87/90/84/370879084.db2.gz JKVFDNGWKRUMJO-LBPRGKRZSA-N 1 1 266.772 2.326 10 10 CECEMO Oc1c(Cl)cccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245839651 370879088 /nfs/dbraw/zinc/87/90/88/370879088.db2.gz JKVFDNGWKRUMJO-LBPRGKRZSA-N 1 1 266.772 2.326 10 10 CECEMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1O ZINC000179631499 368344342 /nfs/dbraw/zinc/34/43/42/368344342.db2.gz BTELBUGPAZDWSO-ZDUSSCGKSA-N 1 1 263.337 2.228 10 10 CECEMO Cc1cccc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000180330881 368376962 /nfs/dbraw/zinc/37/69/62/368376962.db2.gz SAXZFNLPJCTAGA-CYBMUJFWSA-N 1 1 271.364 2.424 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(OC)ccc1O ZINC000248418232 371191141 /nfs/dbraw/zinc/19/11/41/371191141.db2.gz SIEOHCVDEHZRNE-GJZGRUSLSA-N 1 1 290.407 2.459 10 10 CECEMO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272696216 373618177 /nfs/dbraw/zinc/61/81/77/373618177.db2.gz XTKLQJQGHRYLAW-QWRGUYRKSA-N 1 1 253.317 2.436 10 10 CECEMO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(F)c2O)CCO1 ZINC000272696212 373618774 /nfs/dbraw/zinc/61/87/74/373618774.db2.gz XTKLQJQGHRYLAW-GHMZBOCLSA-N 1 1 253.317 2.436 10 10 CECEMO Cc1ccc(O)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000128514034 525346913 /nfs/dbraw/zinc/34/69/13/525346913.db2.gz ZINRDKMGUVKGCR-ZDUSSCGKSA-N 1 1 271.364 2.424 10 10 CECEMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](CCO)C2)c1O ZINC000226811766 639564965 /nfs/dbraw/zinc/56/49/65/639564965.db2.gz TXAAVYVPZNFCCR-LLVKDONJSA-N 1 1 297.782 2.453 10 10 CECEMO Cn1cc2c3c1cccc3C1=C[C@@H](CO)C[N@H+](C)[C@@H]1C2 ZINC000034331303 343419603 /nfs/dbraw/zinc/41/96/03/343419603.db2.gz QVNZRXQLMGMTJF-BDJLRTHQSA-N 1 1 268.360 2.040 10 10 CECEMO OC[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000083445581 642070422 /nfs/dbraw/zinc/07/04/22/642070422.db2.gz HEFTZTCQKFWYBO-AWEZNQCLSA-N 1 1 261.296 2.355 10 10 CECEMO [NH3+][C@H](CF)c1cc(Br)cc(F)c1O ZINC000238683712 344607610 /nfs/dbraw/zinc/60/76/10/344607610.db2.gz WNRLBBCNAVDFEI-SSDOTTSWSA-N 1 1 252.058 2.263 10 10 CECEMO C[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1[NH+](C)C ZINC000160191192 395060272 /nfs/dbraw/zinc/06/02/72/395060272.db2.gz UMDTUXBEHIIFAE-MFKMUULPSA-N 1 1 268.788 2.428 10 10 CECEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179565818 395194700 /nfs/dbraw/zinc/19/47/00/395194700.db2.gz OFONAKKJSHJINI-AWEZNQCLSA-N 1 1 276.380 2.273 10 10 CECEMO CC(C)[C@H](CN[C@@H](C)c1cc(O)ccc1O)[NH+](C)C ZINC000020145710 171030760 /nfs/dbraw/zinc/03/07/60/171030760.db2.gz GIXBDXRAMWEFBY-FZMZJTMJSA-N 1 1 266.385 2.335 10 10 CECEMO CC(C)C[C@H](C[NH+](C)C)NCc1ccc(O)c(O)c1 ZINC000037166786 173001197 /nfs/dbraw/zinc/00/11/97/173001197.db2.gz UJUKWJWYEKXOND-CYBMUJFWSA-N 1 1 266.385 2.164 10 10 CECEMO C[N@@H+](CCOc1ccccc1N)CCc1ccc(N)cc1 ZINC000584594917 344961128 /nfs/dbraw/zinc/96/11/28/344961128.db2.gz DPRRLCNRBGJONN-UHFFFAOYSA-N 1 1 285.391 2.404 10 10 CECEMO CCOc1cccc(C[N@H+](C)C[C@@H]2CCN(C)C2)c1O ZINC000156020170 366825526 /nfs/dbraw/zinc/82/55/26/366825526.db2.gz AZNYDRIUHHBFDL-CYBMUJFWSA-N 1 1 278.396 2.174 10 10 CECEMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)C2)c1O ZINC000156020170 366825532 /nfs/dbraw/zinc/82/55/32/366825532.db2.gz AZNYDRIUHHBFDL-CYBMUJFWSA-N 1 1 278.396 2.174 10 10 CECEMO C[C@H](NCCC[NH+]1CCCC1)c1cc(O)ccc1O ZINC000020129060 171016485 /nfs/dbraw/zinc/01/64/85/171016485.db2.gz VHBSQADZSRIANA-LBPRGKRZSA-N 1 1 264.369 2.234 10 10 CECEMO CN(C)C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129291 171017174 /nfs/dbraw/zinc/01/71/74/171017174.db2.gz COVKLNAKCDGHOY-HNNXBMFYSA-N 1 1 286.375 2.490 10 10 CECEMO Cc1cnn(CC[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000185842791 262309668 /nfs/dbraw/zinc/30/96/68/262309668.db2.gz UWLBVYIGARYRLL-LLVKDONJSA-N 1 1 263.316 2.387 10 10 CECEMO COC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000226565015 329261254 /nfs/dbraw/zinc/26/12/54/329261254.db2.gz BPLOKHVTWZNKSQ-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO COC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000226565015 329261256 /nfs/dbraw/zinc/26/12/56/329261256.db2.gz BPLOKHVTWZNKSQ-NSHDSACASA-N 1 1 253.317 2.390 10 10 CECEMO CCOC(=O)N1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000164931912 331305515 /nfs/dbraw/zinc/30/55/15/331305515.db2.gz OTYXVURZMQZTPT-UHFFFAOYSA-N 1 1 296.342 2.242 10 10 CECEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160225890 622573103 /nfs/dbraw/zinc/57/31/03/622573103.db2.gz PRGAETONSKJQFR-GFCCVEGCSA-N 1 1 293.363 2.094 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000226611467 639556212 /nfs/dbraw/zinc/55/62/12/639556212.db2.gz AJGMROSGFLAFOA-ZYHUDNBSSA-N 1 1 253.317 2.172 10 10 CECEMO CC[NH+](CC)CCN[C@@H](C)c1cc(O)ccc1O ZINC000019919465 170927820 /nfs/dbraw/zinc/92/78/20/170927820.db2.gz WUOPTOCEHXOFIR-NSHDSACASA-N 1 1 252.358 2.090 10 10 CECEMO CC[N@@H+](Cc1ccc(N)cc1)[C@H](C)C(=O)NC(C)C ZINC000035364043 172153177 /nfs/dbraw/zinc/15/31/77/172153177.db2.gz NXJUMLRYLDJOTH-GFCCVEGCSA-N 1 1 263.385 2.004 10 10 CECEMO C=C(C=C1CCC[N@H+]1C)C1SC(=S)N(C)C1=O ZINC000038644971 174150652 /nfs/dbraw/zinc/15/06/52/174150652.db2.gz IYSUEATZWRPJFI-XOHWUJONSA-N 1 1 268.407 2.360 10 10 CECEMO COCCC1(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000226615877 329262286 /nfs/dbraw/zinc/26/22/86/329262286.db2.gz PPYSWYXSJRJSAI-UHFFFAOYSA-N 1 1 253.317 2.438 10 10 CECEMO C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000049553231 524477356 /nfs/dbraw/zinc/47/73/56/524477356.db2.gz LBRFDLRMCZLMRE-QWRGUYRKSA-N 1 1 252.358 2.089 10 10 CECEMO C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cc(O)ccc1O ZINC000049553231 524477362 /nfs/dbraw/zinc/47/73/62/524477362.db2.gz LBRFDLRMCZLMRE-QWRGUYRKSA-N 1 1 252.358 2.089 10 10 CECEMO COc1cc(CN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c(O)cc1C ZINC000160270774 622752875 /nfs/dbraw/zinc/75/28/75/622752875.db2.gz MWNULJBYGNUWHG-DZGCQCFKSA-N 1 1 290.407 2.378 10 10 CECEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N)cc1 ZINC000092633762 628344136 /nfs/dbraw/zinc/34/41/36/628344136.db2.gz XWNICCDWFUYQDO-CQSZACIVSA-N 1 1 276.384 2.217 10 10 CECEMO COCCN1CC[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000247159986 371072302 /nfs/dbraw/zinc/07/23/02/371072302.db2.gz QNLDUWRHMMSMNW-HNNXBMFYSA-N 1 1 292.423 2.162 10 10 CECEMO COCC[N@@H+]1CCN(Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000247159986 371072307 /nfs/dbraw/zinc/07/23/07/371072307.db2.gz QNLDUWRHMMSMNW-HNNXBMFYSA-N 1 1 292.423 2.162 10 10 CECEMO COCC[N@H+]1CCN(Cc2cc(C)c(C)cc2O)C[C@@H]1C ZINC000247159986 371072314 /nfs/dbraw/zinc/07/23/14/371072314.db2.gz QNLDUWRHMMSMNW-HNNXBMFYSA-N 1 1 292.423 2.162 10 10 CECEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(OC)c1O ZINC000248403842 371186791 /nfs/dbraw/zinc/18/67/91/371186791.db2.gz ZAWDUQDTBHCACP-GJZGRUSLSA-N 1 1 290.407 2.459 10 10 CECEMO COC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000294119314 377911907 /nfs/dbraw/zinc/91/19/07/377911907.db2.gz DNJDSONDVFTSHO-AWEZNQCLSA-N 1 1 253.317 2.390 10 10 CECEMO COC[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000294119314 377911910 /nfs/dbraw/zinc/91/19/10/377911910.db2.gz DNJDSONDVFTSHO-AWEZNQCLSA-N 1 1 253.317 2.390 10 10 CECEMO CN(C)C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)c1ccccc1 ZINC000020129290 171016919 /nfs/dbraw/zinc/01/69/19/171016919.db2.gz COVKLNAKCDGHOY-OAHLLOKOSA-N 1 1 286.375 2.490 10 10 CECEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000022152243 171359541 /nfs/dbraw/zinc/35/95/41/171359541.db2.gz HPDDKNGBKNUYGX-RYUDHWBXSA-N 1 1 261.369 2.328 10 10 CECEMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2CCCO)c1O ZINC000052761431 625031429 /nfs/dbraw/zinc/03/14/29/625031429.db2.gz CBSNCUNIAMBXLZ-AWEZNQCLSA-N 1 1 295.354 2.471 10 10 CECEMO CCN1CCC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000158730915 625033313 /nfs/dbraw/zinc/03/33/13/625033313.db2.gz CQABXSRGORPTBG-LBPRGKRZSA-N 1 1 252.333 2.105 10 10 CECEMO Oc1c(F)cccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000226610563 628910822 /nfs/dbraw/zinc/91/08/22/628910822.db2.gz BTLUAXLMULVFOC-GFCCVEGCSA-N 1 1 267.325 2.416 10 10 CECEMO Oc1ccccc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000185223044 641951480 /nfs/dbraw/zinc/95/14/80/641951480.db2.gz RGWAYYJPYNBPAT-CQSZACIVSA-N 1 1 257.337 2.253 10 10 CECEMO