smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000685938870 539554867 /nfs/dbraw/zinc/55/48/67/539554867.db2.gz DNZKTJDISYWENQ-OAHLLOKOSA-N 1 2 326.466 1.122 40 0 EDABLO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000685938870 539554870 /nfs/dbraw/zinc/55/48/70/539554870.db2.gz DNZKTJDISYWENQ-OAHLLOKOSA-N 1 2 326.466 1.122 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@@H+]2C(C)(C)C1 ZINC000253402787 201186749 /nfs/dbraw/zinc/18/67/49/201186749.db2.gz OTFNPJGFXVIGIH-INIZCTEOSA-N 1 2 336.480 1.656 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)NC3CCCCC3)CC[N@H+]2C(C)(C)C1 ZINC000253402787 201186751 /nfs/dbraw/zinc/18/67/51/201186751.db2.gz OTFNPJGFXVIGIH-INIZCTEOSA-N 1 2 336.480 1.656 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)COc3ccccc3)CC[N@@H+]2C(C)(C)C1 ZINC000253398371 201186944 /nfs/dbraw/zinc/18/69/44/201186944.db2.gz HDAWGFUXRJLYMK-INIZCTEOSA-N 1 2 345.443 1.219 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)COc3ccccc3)CC[N@H+]2C(C)(C)C1 ZINC000253398371 201186948 /nfs/dbraw/zinc/18/69/48/201186948.db2.gz HDAWGFUXRJLYMK-INIZCTEOSA-N 1 2 345.443 1.219 40 0 biogenic,in-vitro EDABLO CN1CC[NH+](CCCNc2c(C=O)c(=O)[nH]c3ccccc32)CC1 ZINC000023247826 212362806 /nfs/dbraw/zinc/36/28/06/212362806.db2.gz OOLDWBZNVMRCRO-UHFFFAOYSA-N 1 2 328.416 1.390 40 0 EDABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@@H](C(=O)NC(C)C)C1 ZINC000247984743 243498444 /nfs/dbraw/zinc/49/84/44/243498444.db2.gz IHSZFCDZWNHQIJ-OAHLLOKOSA-N 1 2 329.404 1.368 40 0 EDABLO CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257201606 244122472 /nfs/dbraw/zinc/12/24/72/244122472.db2.gz AIHRLKSFNHHPGG-ZDUSSCGKSA-N 1 2 336.399 1.868 40 0 EDABLO CO[C@@H]1CC[C@@H](N(C)C(=O)COc2cc(C)[nH+]c3ccccc32)[C@H]1O ZINC000257222079 244189479 /nfs/dbraw/zinc/18/94/79/244189479.db2.gz DRUUUXLHCOPGNJ-GPMSIDNRSA-N 1 2 344.411 1.919 40 0 EDABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072367836 203207746 /nfs/dbraw/zinc/20/77/46/203207746.db2.gz QJNUKGYSOFVKEI-LLVKDONJSA-N 1 2 332.433 1.650 40 0 EDABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072367836 203207749 /nfs/dbraw/zinc/20/77/49/203207749.db2.gz QJNUKGYSOFVKEI-LLVKDONJSA-N 1 2 332.433 1.650 40 0 EDABLO COc1ccc(CC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cc1 ZINC000257267366 244364270 /nfs/dbraw/zinc/36/42/70/244364270.db2.gz MGZKCEGWELTELC-JFIYKMOQSA-N 1 2 329.400 1.705 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3ccsc3)C2)nc[nH+]1 ZINC000257276752 244395916 /nfs/dbraw/zinc/39/59/16/244395916.db2.gz NUYQRHHZGHWZTE-KRWDZBQOSA-N 1 2 346.456 1.537 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cccc3c2OCCO3)C1 ZINC000096207487 277268112 /nfs/dbraw/zinc/26/81/12/277268112.db2.gz VPCDXDJTJKXSCR-CYBMUJFWSA-N 1 2 343.383 1.573 40 0 EDABLO S=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccccc1 ZINC000044241683 440827290 /nfs/dbraw/zinc/82/72/90/440827290.db2.gz DSGGGVSRBDUIRU-UHFFFAOYSA-N 1 2 342.472 1.585 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000014607402 441186164 /nfs/dbraw/zinc/18/61/64/441186164.db2.gz HLHAWHLEKDKHAY-IUODEOHRSA-N 1 2 348.374 1.733 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000014607402 441186169 /nfs/dbraw/zinc/18/61/69/441186169.db2.gz HLHAWHLEKDKHAY-IUODEOHRSA-N 1 2 348.374 1.733 40 0 EDABLO COc1ccc2[nH]cc(NC(=O)NCCCn3cc[nH+]c3)c(=O)c2c1 ZINC000013565912 441161248 /nfs/dbraw/zinc/16/12/48/441161248.db2.gz AMOJJSJRFZOFAK-UHFFFAOYSA-N 1 2 341.371 1.945 40 0 EDABLO COc1ccc(-c2cc(C(=O)NCCn3cc[nH+]c3)n(C)n2)cc1 ZINC000019288928 441255340 /nfs/dbraw/zinc/25/53/40/441255340.db2.gz XXDALZYZMOFKTO-UHFFFAOYSA-N 1 2 325.372 1.722 40 0 EDABLO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 ZINC000096042897 441991364 /nfs/dbraw/zinc/99/13/64/441991364.db2.gz LHWOYBORJQMYAT-BHYGNILZSA-N 1 2 345.443 1.596 40 0 EDABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NCC3CC3)O[C@@H]2C1 ZINC000096042897 441991373 /nfs/dbraw/zinc/99/13/73/441991373.db2.gz LHWOYBORJQMYAT-BHYGNILZSA-N 1 2 345.443 1.596 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@H+](C)C[C@@H]3C2)c1 ZINC000096184903 442057191 /nfs/dbraw/zinc/05/71/91/442057191.db2.gz HAAJGIZHSDYHTL-QZTJIDSGSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)c1 ZINC000096184903 442057196 /nfs/dbraw/zinc/05/71/96/442057196.db2.gz HAAJGIZHSDYHTL-QZTJIDSGSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)c1 ZINC000096184903 442057200 /nfs/dbraw/zinc/05/72/00/442057200.db2.gz HAAJGIZHSDYHTL-QZTJIDSGSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)c1 ZINC000096184903 442057204 /nfs/dbraw/zinc/05/72/04/442057204.db2.gz HAAJGIZHSDYHTL-QZTJIDSGSA-N 1 2 331.460 1.436 40 0 EDABLO C[N@H+](Cc1cncnc1)[C@@H]1CN(C(=O)c2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096186019 442061689 /nfs/dbraw/zinc/06/16/89/442061689.db2.gz DQVAJZLDRYKZKR-INMHGKMJSA-N 1 2 342.399 1.574 40 0 EDABLO C[N@@H+](Cc1cncnc1)[C@@H]1CN(C(=O)c2ccco2)[C@@H]2CCCO[C@H]12 ZINC000096186019 442061695 /nfs/dbraw/zinc/06/16/95/442061695.db2.gz DQVAJZLDRYKZKR-INMHGKMJSA-N 1 2 342.399 1.574 40 0 EDABLO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000096187489 442064697 /nfs/dbraw/zinc/06/46/97/442064697.db2.gz QGYQLPSRYFVINH-UHFFFAOYSA-N 1 2 340.427 1.451 40 0 EDABLO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000096187489 442064702 /nfs/dbraw/zinc/06/47/02/442064702.db2.gz QGYQLPSRYFVINH-UHFFFAOYSA-N 1 2 340.427 1.451 40 0 EDABLO O=C(c1ccco1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000096200869 442075014 /nfs/dbraw/zinc/07/50/14/442075014.db2.gz DBGDPTIWZKXCMW-SJORKVTESA-N 1 2 341.411 1.833 40 0 EDABLO Fc1cnc(N2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)nc1 ZINC000096208331 442083504 /nfs/dbraw/zinc/08/35/04/442083504.db2.gz BDZWRXFVXDMUKU-CYBMUJFWSA-N 1 2 340.362 1.923 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239680 442098881 /nfs/dbraw/zinc/09/88/81/442098881.db2.gz RLDDBOSNDXKAFF-MRXNPFEDSA-N 1 2 348.401 1.948 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239680 442098886 /nfs/dbraw/zinc/09/88/86/442098886.db2.gz RLDDBOSNDXKAFF-MRXNPFEDSA-N 1 2 348.401 1.948 40 0 EDABLO Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCOCC4)C3)ccc2o1 ZINC000257317453 443144847 /nfs/dbraw/zinc/14/48/47/443144847.db2.gz VJUXJEAJYFHOSL-HZPDHXFCSA-N 1 2 330.384 1.259 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC[N@@H+]2C)cc1 ZINC000257318863 443145560 /nfs/dbraw/zinc/14/55/60/443145560.db2.gz VPSFZVKYXRRCQO-KRWDZBQOSA-N 1 2 341.411 1.523 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC[N@H+]2C)cc1 ZINC000257318863 443145562 /nfs/dbraw/zinc/14/55/62/443145562.db2.gz VPSFZVKYXRRCQO-KRWDZBQOSA-N 1 2 341.411 1.523 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000257344649 443156803 /nfs/dbraw/zinc/15/68/03/443156803.db2.gz ZYDZMDABADZMER-ZDUSSCGKSA-N 1 2 334.445 1.663 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000257344649 443156808 /nfs/dbraw/zinc/15/68/08/443156808.db2.gz ZYDZMDABADZMER-ZDUSSCGKSA-N 1 2 334.445 1.663 40 0 EDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)N3CCCC3)C2)n(C)n1 ZINC000306123647 444284525 /nfs/dbraw/zinc/28/45/25/444284525.db2.gz ASXRCRMVCZNJDW-MRXNPFEDSA-N 1 2 328.420 1.104 40 0 EDABLO Cc1nnc2n1C1(CCN(C(=O)Cc3ccco3)CC1)C[N@H+](C)C2 ZINC000306142489 444287602 /nfs/dbraw/zinc/28/76/02/444287602.db2.gz XAMWCHULKHYYNU-UHFFFAOYSA-N 1 2 329.404 1.185 40 0 EDABLO Cc1nnc2n1C1(CCN(C(=O)Cc3ccco3)CC1)C[N@@H+](C)C2 ZINC000306142489 444287603 /nfs/dbraw/zinc/28/76/03/444287603.db2.gz XAMWCHULKHYYNU-UHFFFAOYSA-N 1 2 329.404 1.185 40 0 EDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc1OC ZINC000329063354 444461735 /nfs/dbraw/zinc/46/17/35/444461735.db2.gz XDCZCIDITONUPJ-LLVKDONJSA-N 1 2 344.415 1.751 40 0 EDABLO Cc1cccc(CNc2cc(-c3cccnc3)[nH+]c(NCCO)n2)c1 ZINC000329066900 444463246 /nfs/dbraw/zinc/46/32/46/444463246.db2.gz YEJCFTDLJYBHMA-UHFFFAOYSA-N 1 2 335.411 1.707 40 0 EDABLO C[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000328981177 444432655 /nfs/dbraw/zinc/43/26/55/444432655.db2.gz GSAXGHZGMNTTHN-ZDUSSCGKSA-N 1 2 336.399 1.182 40 0 EDABLO CC(=O)c1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4cccnc4)[C@@H]3C2)[nH]n1 ZINC000585107670 448687563 /nfs/dbraw/zinc/68/75/63/448687563.db2.gz OFFHVCFWTSBAEF-WMLDXEAASA-N 1 2 339.399 1.354 40 0 EDABLO CC(=O)c1cc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4cccnc4)[C@@H]3C2)[nH]n1 ZINC000585107670 448687570 /nfs/dbraw/zinc/68/75/70/448687570.db2.gz OFFHVCFWTSBAEF-WMLDXEAASA-N 1 2 339.399 1.354 40 0 EDABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@H+](Cc1cccnc1)C2 ZINC000585110761 448691550 /nfs/dbraw/zinc/69/15/50/448691550.db2.gz CDSMBJAZMUPPIO-INIZCTEOSA-N 1 2 339.443 1.831 40 0 EDABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000585110761 448691558 /nfs/dbraw/zinc/69/15/58/448691558.db2.gz CDSMBJAZMUPPIO-INIZCTEOSA-N 1 2 339.443 1.831 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112374 448692676 /nfs/dbraw/zinc/69/26/76/448692676.db2.gz OHWRHFZNKDNDCF-CQSZACIVSA-N 1 2 334.445 1.654 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112374 448692679 /nfs/dbraw/zinc/69/26/79/448692679.db2.gz OHWRHFZNKDNDCF-CQSZACIVSA-N 1 2 334.445 1.654 40 0 EDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000585096112 448680262 /nfs/dbraw/zinc/68/02/62/448680262.db2.gz RYQIZVQEZMYJTR-INIZCTEOSA-N 1 2 341.415 1.524 40 0 EDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585096141 448680376 /nfs/dbraw/zinc/68/03/76/448680376.db2.gz UKFDVCLQAYTWHL-OAHLLOKOSA-N 1 2 330.388 1.866 40 0 EDABLO CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000585279212 448727963 /nfs/dbraw/zinc/72/79/63/448727963.db2.gz XGJFFZDEBLXGGY-KRWDZBQOSA-N 1 2 333.363 1.719 40 0 EDABLO CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)/C=C/C[NH+]1CCOCC1 ZINC000585291199 448736237 /nfs/dbraw/zinc/73/62/37/448736237.db2.gz MZNBQOSRDIUSCB-UUOJUMCQSA-N 1 2 349.475 1.124 40 0 EDABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@@H+]1CC1CC1 ZINC000575405919 449092798 /nfs/dbraw/zinc/09/27/98/449092798.db2.gz UYTHBIAPLUTOSN-INIZCTEOSA-N 1 2 349.475 1.003 40 0 EDABLO CC(C)NC(=O)[C@@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@H+]1CC1CC1 ZINC000575405919 449092803 /nfs/dbraw/zinc/09/28/03/449092803.db2.gz UYTHBIAPLUTOSN-INIZCTEOSA-N 1 2 349.475 1.003 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257212556 535620630 /nfs/dbraw/zinc/62/06/30/535620630.db2.gz CDYDGFFCVNEGAB-HNNXBMFYSA-N 1 2 341.477 1.570 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2OC)C1 ZINC000257212556 535620639 /nfs/dbraw/zinc/62/06/39/535620639.db2.gz CDYDGFFCVNEGAB-HNNXBMFYSA-N 1 2 341.477 1.570 40 0 EDABLO Cc1[nH+]c(C2CCN(C(=O)Cn3cncn3)CC2)c2sccn12 ZINC000019240813 202000571 /nfs/dbraw/zinc/00/05/71/202000571.db2.gz ZXDJJGFULHLOOK-UHFFFAOYSA-N 1 2 330.417 1.702 40 0 EDABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349424 202005573 /nfs/dbraw/zinc/00/55/73/202005573.db2.gz JKWDEEUQFYUCQH-UHFFFAOYSA-N 1 2 337.358 1.924 40 0 EDABLO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000019349424 202005576 /nfs/dbraw/zinc/00/55/76/202005576.db2.gz JKWDEEUQFYUCQH-UHFFFAOYSA-N 1 2 337.358 1.924 40 0 EDABLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019658734 202014531 /nfs/dbraw/zinc/01/45/31/202014531.db2.gz OWFVPGGCCKKIDP-UHFFFAOYSA-N 1 2 335.433 1.323 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257202491 244123964 /nfs/dbraw/zinc/12/39/64/244123964.db2.gz AMCVRJDOFQCKQW-HOTGVXAUSA-N 1 2 330.388 1.099 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH+]1 ZINC000257231231 244212041 /nfs/dbraw/zinc/21/20/41/244212041.db2.gz GFWNLODTJBWFBJ-ZDUSSCGKSA-N 1 2 342.355 1.226 40 0 EDABLO Cc1cc(N2CCC[C@@H]2c2cc(CCC(N)=O)nc(C)n2)nc[nH+]1 ZINC000072367094 203207645 /nfs/dbraw/zinc/20/76/45/203207645.db2.gz LWNRRUICNHTGPU-OAHLLOKOSA-N 1 2 326.404 1.643 40 0 EDABLO Cc1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257249222 244266529 /nfs/dbraw/zinc/26/65/29/244266529.db2.gz JHIGHPYZOYEIPX-KRWDZBQOSA-N 1 2 346.456 1.868 40 0 EDABLO O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257250069 244266630 /nfs/dbraw/zinc/26/66/30/244266630.db2.gz JKWCGMGNNRKCLZ-CYBMUJFWSA-N 1 2 326.360 1.385 40 0 EDABLO Cn1ccc(C(=O)Nc2cccc(OCC[NH+]3CCOCC3)c2)n1 ZINC000072392179 203212911 /nfs/dbraw/zinc/21/29/11/203212911.db2.gz KGWDZQNUYBJKBK-UHFFFAOYSA-N 1 2 330.388 1.383 40 0 EDABLO CC(C)(C)c1cc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)[nH]n1 ZINC000257265616 244361202 /nfs/dbraw/zinc/36/12/02/244361202.db2.gz LZLSJSWADJBICP-GOSISDBHSA-N 1 2 343.431 1.473 40 0 EDABLO Cn1c[nH+]cc1CN1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257269158 244369563 /nfs/dbraw/zinc/36/95/63/244369563.db2.gz MOVBYDLXYNNKAL-GOSISDBHSA-N 1 2 340.431 1.324 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188564 292814964 /nfs/dbraw/zinc/81/49/64/292814964.db2.gz XWODZPIZLOJEPV-AWEZNQCLSA-N 1 2 325.372 1.953 40 0 EDABLO c1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC000096049148 441996554 /nfs/dbraw/zinc/99/65/54/441996554.db2.gz VBLRBNMGPBJQHF-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO c1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)nc1 ZINC000096049148 441996556 /nfs/dbraw/zinc/99/65/56/441996556.db2.gz VBLRBNMGPBJQHF-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO Cc1ccc(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)o1 ZINC000096067091 442016008 /nfs/dbraw/zinc/01/60/08/442016008.db2.gz MPQIXFALECIBTD-CYBMUJFWSA-N 1 2 326.360 1.348 40 0 EDABLO Cc1nc(C[N@@H+]2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cs1 ZINC000096071556 442019174 /nfs/dbraw/zinc/01/91/74/442019174.db2.gz WIXVVFFKDOEJKK-AWEZNQCLSA-N 1 2 329.491 1.842 40 0 EDABLO Cc1nc(C[N@H+]2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cs1 ZINC000096071556 442019178 /nfs/dbraw/zinc/01/91/78/442019178.db2.gz WIXVVFFKDOEJKK-AWEZNQCLSA-N 1 2 329.491 1.842 40 0 EDABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)CC4CC4)C[C@@H]3C2)cs1 ZINC000096108147 442032363 /nfs/dbraw/zinc/03/23/63/442032363.db2.gz DJEJKLMTYDKHLE-GOEBONIOSA-N 1 2 335.473 1.911 40 0 EDABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)CC4CC4)C[C@@H]3C2)cs1 ZINC000096108147 442032367 /nfs/dbraw/zinc/03/23/67/442032367.db2.gz DJEJKLMTYDKHLE-GOEBONIOSA-N 1 2 335.473 1.911 40 0 EDABLO O=C(Cc1ccc(F)cc1)N1C[C@H]([NH+]2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000096185814 442061830 /nfs/dbraw/zinc/06/18/30/442061830.db2.gz FRULHYTZFTXUGY-JENIJYKNSA-N 1 2 348.418 1.459 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 ZINC000096186343 442063156 /nfs/dbraw/zinc/06/31/56/442063156.db2.gz IZEPMECKOPYFQI-HOTGVXAUSA-N 1 2 325.416 1.581 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2Cc1cccnc1 ZINC000096186343 442063162 /nfs/dbraw/zinc/06/31/62/442063162.db2.gz IZEPMECKOPYFQI-HOTGVXAUSA-N 1 2 325.416 1.581 40 0 EDABLO Cc1cnc(C(=O)N2Cc3[nH+]ccn3C[C@@H](COCC3CC3)C2)cn1 ZINC000096187901 442064132 /nfs/dbraw/zinc/06/41/32/442064132.db2.gz XZDSPPDMCYGSIO-OAHLLOKOSA-N 1 2 341.415 1.680 40 0 EDABLO O=C1CCCN1C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccncc2)C1 ZINC000096188429 442065247 /nfs/dbraw/zinc/06/52/47/442065247.db2.gz MKGGYNDKPPNRQV-INIZCTEOSA-N 1 2 325.416 1.533 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188056 442065564 /nfs/dbraw/zinc/06/55/64/442065564.db2.gz BQBNOMMYPKVRAR-CYBMUJFWSA-N 1 2 327.388 1.661 40 0 EDABLO COCCC(=O)N1Cc2[nH+]ccn2C[C@H](COCc2cccnc2)C1 ZINC000096188088 442065822 /nfs/dbraw/zinc/06/58/22/442065822.db2.gz RMEZJHMBGMLODP-INIZCTEOSA-N 1 2 344.415 1.490 40 0 EDABLO CCS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215848 442087359 /nfs/dbraw/zinc/08/73/59/442087359.db2.gz ZZKSGBMYTRVHSN-CQSZACIVSA-N 1 2 329.491 1.781 40 0 EDABLO CCS(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215848 442087361 /nfs/dbraw/zinc/08/73/61/442087361.db2.gz ZZKSGBMYTRVHSN-CQSZACIVSA-N 1 2 329.491 1.781 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1CC1)C2 ZINC000096252253 442104725 /nfs/dbraw/zinc/10/47/25/442104725.db2.gz KGDWDBGSXODAKL-OLZOCXBDSA-N 1 2 325.434 1.290 40 0 EDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C1)N(S(=O)(=O)C1CC1)C2 ZINC000096252253 442104726 /nfs/dbraw/zinc/10/47/26/442104726.db2.gz KGDWDBGSXODAKL-OLZOCXBDSA-N 1 2 325.434 1.290 40 0 EDABLO C[C@H]1C[C@@H]1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253996 442104977 /nfs/dbraw/zinc/10/49/77/442104977.db2.gz UVLMMARWGAEGAA-STQMWFEESA-N 1 2 329.448 1.684 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@H+](C)C[C@@H]3C2)c1 ZINC000248109933 442881843 /nfs/dbraw/zinc/88/18/43/442881843.db2.gz HAAJGIZHSDYHTL-ZWKOTPCHSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@@H](C(=O)[O-])C[N@@H+](C)C[C@@H]3C2)c1 ZINC000248109933 442881845 /nfs/dbraw/zinc/88/18/45/442881845.db2.gz HAAJGIZHSDYHTL-ZWKOTPCHSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)c1 ZINC000248109933 442881847 /nfs/dbraw/zinc/88/18/47/442881847.db2.gz HAAJGIZHSDYHTL-ZWKOTPCHSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@H+]2CCN3C[C@@H](C(=O)[O-])C[NH+](C)C[C@@H]3C2)c1 ZINC000248109933 442881851 /nfs/dbraw/zinc/88/18/51/442881851.db2.gz HAAJGIZHSDYHTL-ZWKOTPCHSA-N 1 2 331.460 1.436 40 0 EDABLO Nc1cnc(C[C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)CC2)cn1 ZINC000257308458 443140450 /nfs/dbraw/zinc/14/04/50/443140450.db2.gz TWTOITBJLITWNM-OAHLLOKOSA-N 1 2 342.447 1.907 40 0 EDABLO COc1ccc([C@@H]2C[N@H+](Cc3cncnc3)CCN2C(C)=O)cc1 ZINC000257319699 443145023 /nfs/dbraw/zinc/14/50/23/443145023.db2.gz VTQWRWMCMLFHNP-SFHVURJKSA-N 1 2 326.400 1.891 40 0 EDABLO COc1ccc([C@@H]2C[N@@H+](Cc3cncnc3)CCN2C(C)=O)cc1 ZINC000257319699 443145027 /nfs/dbraw/zinc/14/50/27/443145027.db2.gz VTQWRWMCMLFHNP-SFHVURJKSA-N 1 2 326.400 1.891 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3cnccn3)CCN2C)c1 ZINC000257228812 443125331 /nfs/dbraw/zinc/12/53/31/443125331.db2.gz FVIYHLIEGULNCW-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3cnccn3)CCN2C)c1 ZINC000257228812 443125335 /nfs/dbraw/zinc/12/53/35/443125335.db2.gz FVIYHLIEGULNCW-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cnccn3)CC[N@@H+]2C)c1 ZINC000257228812 443125336 /nfs/dbraw/zinc/12/53/36/443125336.db2.gz FVIYHLIEGULNCW-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cnccn3)CC[N@H+]2C)c1 ZINC000257228812 443125340 /nfs/dbraw/zinc/12/53/40/443125340.db2.gz FVIYHLIEGULNCW-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CCOCC(=O)N1CCC[C@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257337815 443154083 /nfs/dbraw/zinc/15/40/83/443154083.db2.gz YUNJBLCEANQNCL-KRWDZBQOSA-N 1 2 333.432 1.614 40 0 EDABLO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)[nH+]cn1)CC2 ZINC000328964920 444425940 /nfs/dbraw/zinc/42/59/40/444425940.db2.gz BYJSUEKWTDNXKW-GFCCVEGCSA-N 1 2 344.415 1.849 40 0 EDABLO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)nc[nH+]1)CC2 ZINC000328964920 444425943 /nfs/dbraw/zinc/42/59/43/444425943.db2.gz BYJSUEKWTDNXKW-GFCCVEGCSA-N 1 2 344.415 1.849 40 0 EDABLO OCCNc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329047786 444457442 /nfs/dbraw/zinc/45/74/42/444457442.db2.gz UHNHTACKYAEDOP-UHFFFAOYSA-N 1 2 327.413 1.460 40 0 EDABLO O=C(C1CC(F)C1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000585110551 448691346 /nfs/dbraw/zinc/69/13/46/448691346.db2.gz UGZVHHOJNJRMTO-UHFFFAOYSA-N 1 2 335.427 1.744 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(S(=O)(=O)c1ccccc1Cl)C2 ZINC000585094707 448678069 /nfs/dbraw/zinc/67/80/69/448678069.db2.gz IRPLMNAQNIQQDC-JTQLQIEISA-N 1 2 341.820 1.181 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 ZINC000585096727 448679740 /nfs/dbraw/zinc/67/97/40/448679740.db2.gz BJUVROGAXSKEOO-OAHLLOKOSA-N 1 2 343.431 1.789 40 0 EDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 ZINC000585096727 448679744 /nfs/dbraw/zinc/67/97/44/448679744.db2.gz BJUVROGAXSKEOO-OAHLLOKOSA-N 1 2 343.431 1.789 40 0 EDABLO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](Cc2cncnc2)C1 ZINC000585277322 448724037 /nfs/dbraw/zinc/72/40/37/448724037.db2.gz UMRIOGXMGAPEGF-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585277322 448724039 /nfs/dbraw/zinc/72/40/39/448724039.db2.gz UMRIOGXMGAPEGF-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CCO[C@@](CO)(Cc2ccccc2)C1 ZINC000585278050 448725670 /nfs/dbraw/zinc/72/56/70/448725670.db2.gz PPXFFAWMBPINCI-SFHVURJKSA-N 1 2 329.400 1.106 40 0 EDABLO Cc1nn(CCC(=O)N[C@H](C)C[NH+]2CCOCC2)c(C)c1Cl ZINC000022241433 212285050 /nfs/dbraw/zinc/28/50/50/212285050.db2.gz SATPLSHZPLBORP-LLVKDONJSA-N 1 2 328.844 1.380 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CC[N@@H+]2C)c1 ZINC000257204956 244131136 /nfs/dbraw/zinc/13/11/36/244131136.db2.gz AXARBWLPQMHJJH-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccccn3)CC[N@H+]2C)c1 ZINC000257204956 244131138 /nfs/dbraw/zinc/13/11/38/244131138.db2.gz AXARBWLPQMHJJH-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCO[C@@H](c2cnccn2)C1 ZINC000257225563 244197317 /nfs/dbraw/zinc/19/73/17/244197317.db2.gz FGTFCIPZJISUIH-OAHLLOKOSA-N 1 2 336.355 1.271 40 0 EDABLO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](CC(N)=O)C3)cn2)n1 ZINC000072361854 203206729 /nfs/dbraw/zinc/20/67/29/203206729.db2.gz XPCFLSBSTDZQPN-CYBMUJFWSA-N 1 2 326.404 1.588 40 0 EDABLO Cc1cccc(Nc2cnc([C@@H]3CCC[N@@H+](CC(N)=O)C3)cn2)n1 ZINC000072361854 203206730 /nfs/dbraw/zinc/20/67/30/203206730.db2.gz XPCFLSBSTDZQPN-CYBMUJFWSA-N 1 2 326.404 1.588 40 0 EDABLO CN(C(=O)c1cnc(C2CC2)nc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257246143 244259004 /nfs/dbraw/zinc/25/90/04/244259004.db2.gz ISRGJFDPEYEQKA-RBSFLKMASA-N 1 2 327.388 1.387 40 0 EDABLO Cc1nc(C)c(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257250012 244266697 /nfs/dbraw/zinc/26/66/97/244266697.db2.gz JKQGLPHDEJXHMM-KRWDZBQOSA-N 1 2 346.456 1.868 40 0 EDABLO Cc1cc(CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)ncn1 ZINC000257257151 244285683 /nfs/dbraw/zinc/28/56/83/244285683.db2.gz KOGQCPXPQXYYOA-KRWDZBQOSA-N 1 2 343.431 1.622 40 0 EDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1c1cc[nH+]c(C)n1 ZINC000257265598 244361967 /nfs/dbraw/zinc/36/19/67/244361967.db2.gz LZIXZEMRIAKPFJ-OAHLLOKOSA-N 1 2 326.404 1.861 40 0 EDABLO Cc1cncc(C(=O)N2Cc3[nH+]ccn3C[C@H](Cn3cncn3)C2)c1 ZINC000096188638 292966384 /nfs/dbraw/zinc/96/63/84/292966384.db2.gz DXDJAQHMDDDXJH-AWEZNQCLSA-N 1 2 337.387 1.150 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2S(=O)(=O)c2ccc(F)cc2)[nH+]1 ZINC000257242787 301024839 /nfs/dbraw/zinc/02/48/39/301024839.db2.gz IEDDNWBIFQIJRY-ZDUSSCGKSA-N 1 2 325.365 1.619 40 0 EDABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(N2CCCC2)nc1 ZINC000011102494 441117687 /nfs/dbraw/zinc/11/76/87/441117687.db2.gz IQJXYJFXHXSCFI-UHFFFAOYSA-N 1 2 335.477 1.300 40 0 EDABLO O=S(=O)(C1CC1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000097953512 441147268 /nfs/dbraw/zinc/14/72/68/441147268.db2.gz FKVBVUOLVDSZDU-BJJXKVORSA-N 1 2 337.445 1.465 40 0 EDABLO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)nc1 ZINC000013267867 441157281 /nfs/dbraw/zinc/15/72/81/441157281.db2.gz BWTRFFKCJPHNPX-MAUKXSAKSA-N 1 2 337.427 1.970 40 0 EDABLO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)nc1 ZINC000013267867 441157284 /nfs/dbraw/zinc/15/72/84/441157284.db2.gz BWTRFFKCJPHNPX-MAUKXSAKSA-N 1 2 337.427 1.970 40 0 EDABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051402 442000259 /nfs/dbraw/zinc/00/02/59/442000259.db2.gz RVYZURWQMNSMHY-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051402 442000265 /nfs/dbraw/zinc/00/02/65/442000265.db2.gz RVYZURWQMNSMHY-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO Cc1nc(C[NH+]2CCC3(CC2)COCCN3S(C)(=O)=O)cs1 ZINC000096226212 442094064 /nfs/dbraw/zinc/09/40/64/442094064.db2.gz GEKDHAAMHIZLBY-UHFFFAOYSA-N 1 2 345.490 1.078 40 0 EDABLO O=C(N[C@H]1C[N@H+](Cc2ccco2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186907 442063040 /nfs/dbraw/zinc/06/30/40/442063040.db2.gz ICSZXDNNVFBVFM-ARFHVFGLSA-N 1 2 328.372 1.231 40 0 EDABLO O=C(N[C@H]1C[N@@H+](Cc2ccco2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186907 442063048 /nfs/dbraw/zinc/06/30/48/442063048.db2.gz ICSZXDNNVFBVFM-ARFHVFGLSA-N 1 2 328.372 1.231 40 0 EDABLO CCCCS(=O)(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196978 442070508 /nfs/dbraw/zinc/07/05/08/442070508.db2.gz ISKIFAFPNFWLBA-UHFFFAOYSA-N 1 2 337.449 1.116 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2c[nH+]cc2CN(Cc2nccs2)C1 ZINC000096209188 442084927 /nfs/dbraw/zinc/08/49/27/442084927.db2.gz KEVSDVRGSWORRE-ZDUSSCGKSA-N 1 2 349.460 1.076 40 0 EDABLO Cc1ccc(N2CCO[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)nn1 ZINC000096249787 442103638 /nfs/dbraw/zinc/10/36/38/442103638.db2.gz YWTIXHGWIPRSEY-HZPDHXFCSA-N 1 2 342.447 1.246 40 0 EDABLO Cc1ccc(N2CCO[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)nn1 ZINC000096249787 442103639 /nfs/dbraw/zinc/10/36/39/442103639.db2.gz YWTIXHGWIPRSEY-HZPDHXFCSA-N 1 2 342.447 1.246 40 0 EDABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](C)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251991 442104791 /nfs/dbraw/zinc/10/47/91/442104791.db2.gz ZDFBFUWCHJKNNZ-FPMFFAJLSA-N 1 2 336.461 1.039 40 0 EDABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](C)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251991 442104792 /nfs/dbraw/zinc/10/47/92/442104792.db2.gz ZDFBFUWCHJKNNZ-FPMFFAJLSA-N 1 2 336.461 1.039 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)CCCN(C)c2ccccc2)C[C@H]1C(N)=O ZINC000257306548 443140750 /nfs/dbraw/zinc/14/07/50/443140750.db2.gz SURXCIXSZPEAGK-KRWDZBQOSA-N 1 2 346.475 1.310 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)CCCN(C)c2ccccc2)C[C@H]1C(N)=O ZINC000257306548 443140754 /nfs/dbraw/zinc/14/07/54/443140754.db2.gz SURXCIXSZPEAGK-KRWDZBQOSA-N 1 2 346.475 1.310 40 0 EDABLO Cc1nc(CC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257314470 443143357 /nfs/dbraw/zinc/14/33/57/443143357.db2.gz UXDIPXAGFNCPSO-INIZCTEOSA-N 1 2 332.429 1.147 40 0 EDABLO Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257325274 443147930 /nfs/dbraw/zinc/14/79/30/443147930.db2.gz WSFSOODEXBPIRO-IBGZPJMESA-N 1 2 340.427 1.889 40 0 EDABLO C[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328999202 444439672 /nfs/dbraw/zinc/43/96/72/444439672.db2.gz JUTWZCJZLWALJO-HNNXBMFYSA-N 1 2 349.438 1.830 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 ZINC000585096726 448679969 /nfs/dbraw/zinc/67/99/69/448679969.db2.gz BJUVROGAXSKEOO-HNNXBMFYSA-N 1 2 343.431 1.789 40 0 EDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 ZINC000585096726 448679975 /nfs/dbraw/zinc/67/99/75/448679975.db2.gz BJUVROGAXSKEOO-HNNXBMFYSA-N 1 2 343.431 1.789 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2c[nH+]cn21 ZINC000585096056 448680413 /nfs/dbraw/zinc/68/04/13/448680413.db2.gz PKWNVAFPJWJVSA-AWEZNQCLSA-N 1 2 338.367 1.881 40 0 EDABLO CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH]c[nH+]2)[C@@H]1Cc1ccccc1 ZINC000585280200 448729051 /nfs/dbraw/zinc/72/90/51/448729051.db2.gz CFNGPERXAXUEDB-ROUUACIJSA-N 1 2 340.427 1.691 40 0 EDABLO CC(=O)N1CCC[C@H](NC(=O)Cc2c[nH+]c[nH]2)[C@@H]1Cc1ccccc1 ZINC000585280200 448729056 /nfs/dbraw/zinc/72/90/56/448729056.db2.gz CFNGPERXAXUEDB-ROUUACIJSA-N 1 2 340.427 1.691 40 0 EDABLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585286258 448732208 /nfs/dbraw/zinc/73/22/08/448732208.db2.gz VYPAWBFQWHEOTF-SRCQZFHVSA-N 1 2 333.363 1.357 40 0 EDABLO CC(C)Nc1cc(C[C@H]2CCCN(S(C)(=O)=O)CC2)[nH+]cn1 ZINC000257257448 535291078 /nfs/dbraw/zinc/29/10/78/535291078.db2.gz KPOVXDICPQYOTA-ZDUSSCGKSA-N 1 2 326.466 1.901 40 0 EDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H]3CC(=O)OC3(C)C)CC2)c(C)n1 ZINC000019524566 202010470 /nfs/dbraw/zinc/01/04/70/202010470.db2.gz FXCNGYREOQWSGD-OAHLLOKOSA-N 1 2 348.447 1.197 40 0 EDABLO Cc1ccc(C(=O)NC[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257225829 244199474 /nfs/dbraw/zinc/19/94/74/244199474.db2.gz FIBFCKLQWBJYTB-GOSISDBHSA-N 1 2 341.415 1.250 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cccnc3C)C2)nc[nH+]1 ZINC000257221256 244184713 /nfs/dbraw/zinc/18/47/13/244184713.db2.gz DODXCDNMEKZVDY-GOSISDBHSA-N 1 2 341.415 1.250 40 0 EDABLO Cc1cc(N2CCO[C@H](c3ccc(CCC(N)=O)cn3)C2)nc[nH+]1 ZINC000072378794 203210634 /nfs/dbraw/zinc/21/06/34/203210634.db2.gz XOVREFWJSNKISR-HNNXBMFYSA-N 1 2 327.388 1.176 40 0 EDABLO COCCNc1cc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387737 203211464 /nfs/dbraw/zinc/21/14/64/203211464.db2.gz MOZHCNHNUMCMML-INIZCTEOSA-N 1 2 336.436 1.396 40 0 EDABLO COCCNc1cc([C@@H]2C[N@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387737 203211468 /nfs/dbraw/zinc/21/14/68/203211468.db2.gz MOZHCNHNUMCMML-INIZCTEOSA-N 1 2 336.436 1.396 40 0 EDABLO Cc1ncsc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257246987 244257392 /nfs/dbraw/zinc/25/73/92/244257392.db2.gz IWVYBEPZOIRMAH-MRXNPFEDSA-N 1 2 332.429 1.608 40 0 EDABLO COCc1c(C)onc1C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257246832 244257466 /nfs/dbraw/zinc/25/74/66/244257466.db2.gz IWAGKROWMRNSIG-UMVBOHGHSA-N 1 2 334.376 1.210 40 0 EDABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)COC)C1 ZINC000072350616 203205032 /nfs/dbraw/zinc/20/50/32/203205032.db2.gz UMKUBGPSEUJQSE-ZDUSSCGKSA-N 1 2 329.404 1.577 40 0 EDABLO Fc1cnc(N2CC[C@H]3OCC[N@H+](Cc4ccncc4)[C@@H]3CC2)nc1 ZINC000107255178 204229830 /nfs/dbraw/zinc/22/98/30/204229830.db2.gz QMJKMJSJHHZVIW-IAGOWNOFSA-N 1 2 343.406 1.881 40 0 EDABLO Fc1cnc(N2CC[C@H]3OCC[N@@H+](Cc4ccncc4)[C@@H]3CC2)nc1 ZINC000107255178 204229834 /nfs/dbraw/zinc/22/98/34/204229834.db2.gz QMJKMJSJHHZVIW-IAGOWNOFSA-N 1 2 343.406 1.881 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329007583 257905957 /nfs/dbraw/zinc/90/59/57/257905957.db2.gz LLHGHMAXJFELSA-GFCCVEGCSA-N 1 2 341.440 1.849 40 0 EDABLO O=C(c1cscn1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096067055 280237478 /nfs/dbraw/zinc/23/74/78/280237478.db2.gz WODQDMGFDWYWMZ-LBPRGKRZSA-N 1 2 328.401 1.509 40 0 EDABLO c1cncc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096049150 441996255 /nfs/dbraw/zinc/99/62/55/441996255.db2.gz AMIZKFRAJSQSQS-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO c1cncc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096049150 441996260 /nfs/dbraw/zinc/99/62/60/441996260.db2.gz AMIZKFRAJSQSQS-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108069 442032687 /nfs/dbraw/zinc/03/26/87/442032687.db2.gz CKBWMAWZCAAGGB-UKRRQHHQSA-N 1 2 346.456 1.455 40 0 EDABLO Cn1cccc1C(=O)N1CCO[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC000096108069 442032692 /nfs/dbraw/zinc/03/26/92/442032692.db2.gz CKBWMAWZCAAGGB-UKRRQHHQSA-N 1 2 346.456 1.455 40 0 EDABLO O=C(N1CCCC1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158811 442048092 /nfs/dbraw/zinc/04/80/92/442048092.db2.gz SJECNJQJIPLLGA-UHFFFAOYSA-N 1 2 344.459 1.964 40 0 EDABLO O=C(N1CCCC1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158811 442048096 /nfs/dbraw/zinc/04/80/96/442048096.db2.gz SJECNJQJIPLLGA-UHFFFAOYSA-N 1 2 344.459 1.964 40 0 EDABLO CCCS(=O)(=O)N1CCO[C@@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226389 442095053 /nfs/dbraw/zinc/09/50/53/442095053.db2.gz HVJANQADHFQKKG-MRXNPFEDSA-N 1 2 339.461 1.493 40 0 EDABLO O=C(NCc1c[nH+]c2n1CCN(Cc1nccs1)CC2)C1CCC1 ZINC000096197061 442070923 /nfs/dbraw/zinc/07/09/23/442070923.db2.gz SZRDYAIPLFNHME-UHFFFAOYSA-N 1 2 345.472 1.814 40 0 EDABLO O=C(NCc1cnc2n1CC[N@@H+](Cc1nccs1)CC2)C1CCC1 ZINC000096197061 442070928 /nfs/dbraw/zinc/07/09/28/442070928.db2.gz SZRDYAIPLFNHME-UHFFFAOYSA-N 1 2 345.472 1.814 40 0 EDABLO O=C(NCc1cnc2n1CC[N@H+](Cc1nccs1)CC2)C1CCC1 ZINC000096197061 442070932 /nfs/dbraw/zinc/07/09/32/442070932.db2.gz SZRDYAIPLFNHME-UHFFFAOYSA-N 1 2 345.472 1.814 40 0 EDABLO O=C(Cc1ccc(F)cc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201116 442075458 /nfs/dbraw/zinc/07/54/58/442075458.db2.gz ACXCONXODRJXKZ-UHFFFAOYSA-N 1 2 339.374 1.852 40 0 EDABLO O=C(Cc1ccsc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201113 442075481 /nfs/dbraw/zinc/07/54/81/442075481.db2.gz ZPEDXWCRUDSOMT-UHFFFAOYSA-N 1 2 327.413 1.774 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238228 442098804 /nfs/dbraw/zinc/09/88/04/442098804.db2.gz ORBGGAZZGJOWPC-QGZVFWFLSA-N 1 2 345.472 1.405 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)CN(c1ccsc1)C(=O)CN2C ZINC000096238228 442098807 /nfs/dbraw/zinc/09/88/07/442098807.db2.gz ORBGGAZZGJOWPC-QGZVFWFLSA-N 1 2 345.472 1.405 40 0 EDABLO CS(=O)(=O)NCC[C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000247538624 442860873 /nfs/dbraw/zinc/86/08/73/442860873.db2.gz RJYIQDNLXFVRRV-LBPRGKRZSA-N 1 2 340.474 1.441 40 0 EDABLO Cc1nc(CN2Cc3c[nH+]cn3[C@@H](C(=O)N3CCCCO3)C2)cs1 ZINC000247966976 442875331 /nfs/dbraw/zinc/87/53/31/442875331.db2.gz QXFNGZGRTPGVCV-OAHLLOKOSA-N 1 2 347.444 1.759 40 0 EDABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccs3)C2)nc[nH+]1 ZINC000257291670 443133451 /nfs/dbraw/zinc/13/34/51/443133451.db2.gz QICHXRYTWZLNAH-MRXNPFEDSA-N 1 2 347.444 1.293 40 0 EDABLO CNc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccs3)C2)[nH+]cn1 ZINC000257291670 443133454 /nfs/dbraw/zinc/13/34/54/443133454.db2.gz QICHXRYTWZLNAH-MRXNPFEDSA-N 1 2 347.444 1.293 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000257318324 443144945 /nfs/dbraw/zinc/14/49/45/443144945.db2.gz VNKMRJZSZGECAL-HNNXBMFYSA-N 1 2 334.445 1.406 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000257318324 443144948 /nfs/dbraw/zinc/14/49/48/443144948.db2.gz VNKMRJZSZGECAL-HNNXBMFYSA-N 1 2 334.445 1.406 40 0 EDABLO CN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257318066 443145581 /nfs/dbraw/zinc/14/55/81/443145581.db2.gz VMIQJRDLTBFSIP-OAHLLOKOSA-N 1 2 326.400 1.521 40 0 EDABLO COc1ccccc1CCC(=O)N1CC[N@H+](C(C)C)[C@@H](C(N)=O)C1 ZINC000257281357 443127777 /nfs/dbraw/zinc/12/77/77/443127777.db2.gz OOUUJMBVTWPZDF-OAHLLOKOSA-N 1 2 333.432 1.034 40 0 EDABLO COc1ccccc1CCC(=O)N1CC[N@@H+](C(C)C)[C@@H](C(N)=O)C1 ZINC000257281357 443127782 /nfs/dbraw/zinc/12/77/82/443127782.db2.gz OOUUJMBVTWPZDF-OAHLLOKOSA-N 1 2 333.432 1.034 40 0 EDABLO Cc1noc(C)c1C(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257285477 443130917 /nfs/dbraw/zinc/13/09/17/443130917.db2.gz PHFVWLLGFVMGHW-QGZVFWFLSA-N 1 2 345.403 1.103 40 0 EDABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)cs1 ZINC000306125978 444285298 /nfs/dbraw/zinc/28/52/98/444285298.db2.gz DHYBGLRXBNKXML-JKSUJKDBSA-N 1 2 349.460 1.493 40 0 EDABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CC[C@@H](Cn4cncn4)O3)C2)cs1 ZINC000306125978 444285300 /nfs/dbraw/zinc/28/53/00/444285300.db2.gz DHYBGLRXBNKXML-JKSUJKDBSA-N 1 2 349.460 1.493 40 0 EDABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCO)n1 ZINC000329021759 444448211 /nfs/dbraw/zinc/44/82/11/444448211.db2.gz OIVNENWYDGQSPD-UHFFFAOYSA-N 1 2 328.294 1.332 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585272269 448717853 /nfs/dbraw/zinc/71/78/53/448717853.db2.gz MROGTZZCZCSUBQ-GOSISDBHSA-N 1 2 347.390 1.845 40 0 EDABLO Cc1ccc(C[C@@]2(CO)CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC000585276092 448720705 /nfs/dbraw/zinc/72/07/05/448720705.db2.gz LTVLZDNUPNJNLG-SFHVURJKSA-N 1 2 329.400 1.093 40 0 EDABLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585283428 448731702 /nfs/dbraw/zinc/73/17/02/448731702.db2.gz ARZRKYZFFKWXFY-MZMPZRCHSA-N 1 2 329.400 1.677 40 0 EDABLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585283428 448731706 /nfs/dbraw/zinc/73/17/06/448731706.db2.gz ARZRKYZFFKWXFY-MZMPZRCHSA-N 1 2 329.400 1.677 40 0 EDABLO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2cnn(C)c2)Cc2ccco2)n1 ZINC000019573801 202013542 /nfs/dbraw/zinc/01/35/42/202013542.db2.gz GJIRAOYQFAXSSK-QGZVFWFLSA-N 1 2 343.431 1.890 40 0 EDABLO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2cnn(C)c2)Cc2ccco2)n1 ZINC000019573801 202013546 /nfs/dbraw/zinc/01/35/46/202013546.db2.gz GJIRAOYQFAXSSK-QGZVFWFLSA-N 1 2 343.431 1.890 40 0 EDABLO Cc1cc(=O)n(CC(=O)NC[C@@H](C)[NH+]2CCOCC2)c2ccccc12 ZINC000019657066 202015632 /nfs/dbraw/zinc/01/56/32/202015632.db2.gz LBNNLNKVDABFDY-OAHLLOKOSA-N 1 2 343.427 1.147 40 0 EDABLO CNc1ncccc1C[N@@H+]1CCC[C@]1(C)c1nc(C)cc(C(N)=O)n1 ZINC000257213458 244161668 /nfs/dbraw/zinc/16/16/68/244161668.db2.gz CHRAQINWITXBDA-GOSISDBHSA-N 1 2 340.431 1.832 40 0 EDABLO CNc1ncccc1C[N@H+]1CCC[C@]1(C)c1nc(C)cc(C(N)=O)n1 ZINC000257213458 244161673 /nfs/dbraw/zinc/16/16/73/244161673.db2.gz CHRAQINWITXBDA-GOSISDBHSA-N 1 2 340.431 1.832 40 0 EDABLO Cc1nccc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257227625 244204697 /nfs/dbraw/zinc/20/46/97/244204697.db2.gz FQEPTFASRCMINX-CYBMUJFWSA-N 1 2 349.460 1.366 40 0 EDABLO Cc1nccc(C[N@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257227625 244204698 /nfs/dbraw/zinc/20/46/98/244204698.db2.gz FQEPTFASRCMINX-CYBMUJFWSA-N 1 2 349.460 1.366 40 0 EDABLO CCCn1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257243314 244251691 /nfs/dbraw/zinc/25/16/91/244251691.db2.gz IGJCPFNAPRJOGA-GOSISDBHSA-N 1 2 343.431 1.402 40 0 EDABLO O=S(=O)(N1CCOCC1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257237390 244231296 /nfs/dbraw/zinc/23/12/96/244231296.db2.gz HGGGMPXLEUVZNN-HNNXBMFYSA-N 1 2 348.428 1.017 40 0 EDABLO O=C(c1ccc2c(c1)CCCC2)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000257259008 244290889 /nfs/dbraw/zinc/29/08/89/244290889.db2.gz KWKSLHANNMGAJR-QZTJIDSGSA-N 1 2 330.428 1.083 40 0 EDABLO CC(=O)N1CCC[C@@H]1c1cncc(C[N@@H+]2CCCN(C(C)=O)CC2)n1 ZINC000257263582 244353037 /nfs/dbraw/zinc/35/30/37/244353037.db2.gz LQQLZEQLYMADSL-GOSISDBHSA-N 1 2 345.447 1.214 40 0 EDABLO CC(=O)N1CCC[C@@H]1c1cncc(C[N@H+]2CCCN(C(C)=O)CC2)n1 ZINC000257263582 244353043 /nfs/dbraw/zinc/35/30/43/244353043.db2.gz LQQLZEQLYMADSL-GOSISDBHSA-N 1 2 345.447 1.214 40 0 EDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1cccs1)[NH2+][C@]2(CC)C(=O)OC ZINC000004884743 440929968 /nfs/dbraw/zinc/92/99/68/440929968.db2.gz GZXCRRNMERKSMR-YWDSYVAPSA-N 1 2 336.413 1.335 40 0 EDABLO COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3[nH]cc[nH+]3)n2)cc1 ZINC000015674718 441207483 /nfs/dbraw/zinc/20/74/83/441207483.db2.gz AKAIEIUDJBFUME-OCCSQVGLSA-N 1 2 341.371 1.776 40 0 biogenic,in-vitro EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096059126 442006238 /nfs/dbraw/zinc/00/62/38/442006238.db2.gz AYIUDJGEZLGIRX-OAHLLOKOSA-N 1 2 348.472 1.681 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096059126 442006244 /nfs/dbraw/zinc/00/62/44/442006244.db2.gz AYIUDJGEZLGIRX-OAHLLOKOSA-N 1 2 348.472 1.681 40 0 EDABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccsc2)C3)CC1 ZINC000096058580 442006804 /nfs/dbraw/zinc/00/68/04/442006804.db2.gz NVECPQCUTODBKF-UHFFFAOYSA-N 1 2 345.472 1.417 40 0 EDABLO Cc1ccc(C(=O)N2Cc3[nH+]ccn3C[C@H](CN3CCCC3=O)C2)o1 ZINC000096066984 442014171 /nfs/dbraw/zinc/01/41/71/442014171.db2.gz ZBNFYVXBFDJHOV-CQSZACIVSA-N 1 2 342.399 1.679 40 0 EDABLO c1snnc1C[NH+]1CCC2(C[C@H](Nc3cnccn3)CO2)CC1 ZINC000096074295 442020426 /nfs/dbraw/zinc/02/04/26/442020426.db2.gz HXWJCUOYVLLBBO-LBPRGKRZSA-N 1 2 332.433 1.564 40 0 EDABLO CN(c1ncccn1)[C@@H]1CO[C@]2(CC[N@H+](Cc3nccn3C)C2)C1 ZINC000096219778 442090182 /nfs/dbraw/zinc/09/01/82/442090182.db2.gz YOTNULLIKUBERT-WMLDXEAASA-N 1 2 328.420 1.080 40 0 EDABLO CN(c1ncccn1)[C@@H]1CO[C@]2(CC[N@@H+](Cc3nccn3C)C2)C1 ZINC000096219778 442090188 /nfs/dbraw/zinc/09/01/88/442090188.db2.gz YOTNULLIKUBERT-WMLDXEAASA-N 1 2 328.420 1.080 40 0 EDABLO Cn1cccc1C(=O)N1CC[C@@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219095 442090849 /nfs/dbraw/zinc/09/08/49/442090849.db2.gz KXUVOLYAJGAFII-RDTXWAMCSA-N 1 2 326.400 1.906 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)no1 ZINC000096187299 442064442 /nfs/dbraw/zinc/06/44/42/442064442.db2.gz INVJLBYYAQKNPP-BZUAXINKSA-N 1 2 335.404 1.659 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCCCO4)CC[C@H]32)no1 ZINC000096187299 442064447 /nfs/dbraw/zinc/06/44/47/442064447.db2.gz INVJLBYYAQKNPP-BZUAXINKSA-N 1 2 335.404 1.659 40 0 EDABLO COc1cc(N2CCO[C@]3(CCCN(c4cccc[nH+]4)C3)C2)ncn1 ZINC000096226362 442095321 /nfs/dbraw/zinc/09/53/21/442095321.db2.gz XCWSAPFLSCEHHR-SFHVURJKSA-N 1 2 341.415 1.756 40 0 EDABLO Cc1ccc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC000096259527 442107015 /nfs/dbraw/zinc/10/70/15/442107015.db2.gz DKMIPEVQQQOWFQ-UHFFFAOYSA-N 1 2 336.399 1.877 40 0 EDABLO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000247510657 442858747 /nfs/dbraw/zinc/85/87/47/442858747.db2.gz IIFFIEKRJALDOK-CYBMUJFWSA-N 1 2 340.474 1.126 40 0 EDABLO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000247510657 442858753 /nfs/dbraw/zinc/85/87/53/442858753.db2.gz IIFFIEKRJALDOK-CYBMUJFWSA-N 1 2 340.474 1.126 40 0 EDABLO Cc1cccc(COC[C@@H]2CN(S(C)(=O)=O)Cc3c[nH+]cn32)n1 ZINC000247877165 442871370 /nfs/dbraw/zinc/87/13/70/442871370.db2.gz PACPGIXIHUNXNP-HNNXBMFYSA-N 1 2 336.417 1.120 40 0 EDABLO Cc1cn(C)c([C@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257307909 443140193 /nfs/dbraw/zinc/14/01/93/443140193.db2.gz TUQIYGSWXLMPTD-AWEZNQCLSA-N 1 2 338.415 1.879 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2)CC[N@@H+]1C(C)C ZINC000257313491 443143670 /nfs/dbraw/zinc/14/36/70/443143670.db2.gz USTJROJUQXUIQJ-MRXNPFEDSA-N 1 2 333.432 1.123 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)CCOc2ccccc2)CC[N@H+]1C(C)C ZINC000257313491 443143673 /nfs/dbraw/zinc/14/36/73/443143673.db2.gz USTJROJUQXUIQJ-MRXNPFEDSA-N 1 2 333.432 1.123 40 0 EDABLO C[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329044226 444456335 /nfs/dbraw/zinc/45/63/35/444456335.db2.gz SVFANCUNBIOEBG-HIFRSBDPSA-N 1 2 328.416 1.371 40 0 EDABLO OCCCNc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000329007710 444443380 /nfs/dbraw/zinc/44/33/80/444443380.db2.gz LNIFNCNXDYFJAE-UHFFFAOYSA-N 1 2 325.372 1.382 40 0 EDABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 ZINC000585110789 448691381 /nfs/dbraw/zinc/69/13/81/448691381.db2.gz GNELERLUFJNQAV-MRXNPFEDSA-N 1 2 340.427 1.760 40 0 EDABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 ZINC000585110789 448691383 /nfs/dbraw/zinc/69/13/83/448691383.db2.gz GNELERLUFJNQAV-MRXNPFEDSA-N 1 2 340.427 1.760 40 0 EDABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@@H]2C)CC3)ccn1 ZINC000585111095 448691416 /nfs/dbraw/zinc/69/14/16/448691416.db2.gz DELIARZNRAQQRT-GXTWGEPZSA-N 1 2 326.400 1.994 40 0 EDABLO Cc1ncc(C[N@@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275608 448719914 /nfs/dbraw/zinc/71/99/14/448719914.db2.gz HFXLGLYXCUQWCJ-SFHVURJKSA-N 1 2 331.391 1.730 40 0 EDABLO Cc1ncc(C[N@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585275608 448719919 /nfs/dbraw/zinc/71/99/19/448719919.db2.gz HFXLGLYXCUQWCJ-SFHVURJKSA-N 1 2 331.391 1.730 40 0 EDABLO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@@H+](Cc1cccnc1)C2 ZINC000585097621 448682835 /nfs/dbraw/zinc/68/28/35/448682835.db2.gz NWTGUXCDQVQUIL-QGZVFWFLSA-N 1 2 336.399 1.922 40 0 EDABLO c1cc2n(n1)CC[C@H](COc1cnccn1)[N@H+](Cc1cccnc1)C2 ZINC000585097621 448682840 /nfs/dbraw/zinc/68/28/40/448682840.db2.gz NWTGUXCDQVQUIL-QGZVFWFLSA-N 1 2 336.399 1.922 40 0 EDABLO COc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1F ZINC000669968704 486535859 /nfs/dbraw/zinc/53/58/59/486535859.db2.gz BUTRDRLGFOMGBJ-UHFFFAOYSA-N 1 2 342.378 1.838 40 0 EDABLO COc1c2c(cc(C[C@H]3C[C@H]([NH2+]C(C)C)C(=O)O3)c1OC)OCO2 ZINC000012401605 201844228 /nfs/dbraw/zinc/84/42/28/201844228.db2.gz GJCMIHNMGVKQCR-RYUDHWBXSA-N 1 2 337.372 1.657 40 0 EDABLO Cc1ncc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257207210 244136345 /nfs/dbraw/zinc/13/63/45/244136345.db2.gz BGUSZUOMOJQODD-GOSISDBHSA-N 1 2 341.415 1.250 40 0 EDABLO CN(C)c1cccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257202909 244124090 /nfs/dbraw/zinc/12/40/90/244124090.db2.gz ANWPBWSQRCIQTQ-INIZCTEOSA-N 1 2 343.431 1.724 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc(-n3cnnc3)c2)[nH+]1 ZINC000257212329 244151793 /nfs/dbraw/zinc/15/17/93/244151793.db2.gz CCWFBPGESGOGMQ-OAHLLOKOSA-N 1 2 338.371 1.513 40 0 EDABLO CCc1noc(CCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257212972 244155904 /nfs/dbraw/zinc/15/59/04/244155904.db2.gz CFQOYBBUEPLLSF-CYBMUJFWSA-N 1 2 329.404 1.745 40 0 EDABLO CC(=O)N1CC[N@H+](CC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000257216084 244166736 /nfs/dbraw/zinc/16/67/36/244166736.db2.gz CTAFIGVLTAFLSV-GOSISDBHSA-N 1 2 329.444 1.904 40 0 EDABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCCCC2)C[C@@H]1c1ccccc1 ZINC000257216084 244166743 /nfs/dbraw/zinc/16/67/43/244166743.db2.gz CTAFIGVLTAFLSV-GOSISDBHSA-N 1 2 329.444 1.904 40 0 EDABLO CN(C)S(=O)(=O)N1CCC(c2cccc(-n3cc[nH+]c3)n2)CC1 ZINC000072379196 203210725 /nfs/dbraw/zinc/21/07/25/203210725.db2.gz VOWOZWJEFGZIQL-UHFFFAOYSA-N 1 2 335.433 1.253 40 0 EDABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)s1 ZINC000072367858 203207502 /nfs/dbraw/zinc/20/75/02/203207502.db2.gz KYDDLDDLDZTNNI-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)s1 ZINC000072367858 203207506 /nfs/dbraw/zinc/20/75/06/203207506.db2.gz KYDDLDDLDZTNNI-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cn1cc[nH+]c1CN1CCC(C)(c2n[nH]cc2S(C)(=O)=O)CC1 ZINC000072388882 203213006 /nfs/dbraw/zinc/21/30/06/203213006.db2.gz FGVZQYYCHSQJPZ-UHFFFAOYSA-N 1 2 337.449 1.100 40 0 EDABLO Cc1cc(C(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)[nH]c(=O)n1 ZINC000257257518 244286653 /nfs/dbraw/zinc/28/66/53/244286653.db2.gz KPZIJWZVBHBXLE-ZDUSSCGKSA-N 1 2 327.388 1.627 40 0 EDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257261240 244346803 /nfs/dbraw/zinc/34/68/03/244346803.db2.gz LGHUOOAIQAZXFS-LBPRGKRZSA-N 1 2 337.383 1.595 40 0 EDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@H+](C)C1 ZINC000012530077 207166349 /nfs/dbraw/zinc/16/63/49/207166349.db2.gz YLIHGKMRLWGOSF-KBPBESRZSA-N 1 2 330.388 1.635 40 0 biogenic,in-vitro EDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccccc3)no2)[N@@H+](C)C1 ZINC000012530077 207166352 /nfs/dbraw/zinc/16/63/52/207166352.db2.gz YLIHGKMRLWGOSF-KBPBESRZSA-N 1 2 330.388 1.635 40 0 biogenic,in-vitro EDABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1Cc1cn(C)cn1 ZINC000257265529 278125166 /nfs/dbraw/zinc/12/51/66/278125166.db2.gz LZAQPPXKRUYCBT-INIZCTEOSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1Cc1cn(C)cn1 ZINC000257265529 278125168 /nfs/dbraw/zinc/12/51/68/278125168.db2.gz LZAQPPXKRUYCBT-INIZCTEOSA-N 1 2 328.420 1.492 40 0 EDABLO Cc1csc2nc3n(c(=O)c12)CCN(Cc1c[nH+]cn1C)CC3 ZINC000019240291 279049668 /nfs/dbraw/zinc/04/96/68/279049668.db2.gz YCQQUAKSXRLCQB-UHFFFAOYSA-N 1 2 329.429 1.558 40 0 EDABLO Cc1c(C[N@H+]2CCc3nc4sccc4c(=O)n3CC2)cnn1C ZINC000019553766 280226046 /nfs/dbraw/zinc/22/60/46/280226046.db2.gz UCJPWOXNWWPLSI-UHFFFAOYSA-N 1 2 329.429 1.558 40 0 EDABLO Cc1c(C[N@@H+]2CCc3nc4sccc4c(=O)n3CC2)cnn1C ZINC000019553766 280226051 /nfs/dbraw/zinc/22/60/51/280226051.db2.gz UCJPWOXNWWPLSI-UHFFFAOYSA-N 1 2 329.429 1.558 40 0 EDABLO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000009288836 441104577 /nfs/dbraw/zinc/10/45/77/441104577.db2.gz LNGIJQBVTRHQEM-CQSZACIVSA-N 1 2 346.383 1.166 40 0 EDABLO Cc1ncc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)n1C ZINC000043277648 441828735 /nfs/dbraw/zinc/82/87/35/441828735.db2.gz BTYGNEUGGIITSA-UHFFFAOYSA-N 1 2 326.400 1.843 40 0 EDABLO O=C1COC2(CCN(c3cccc[nH+]3)CC2)CN1Cc1ccccn1 ZINC000096063141 442011308 /nfs/dbraw/zinc/01/13/08/442011308.db2.gz RXIJWDKICAKKJK-UHFFFAOYSA-N 1 2 338.411 1.875 40 0 EDABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CN(Cc2cccs2)C3)CC1 ZINC000096066705 442014607 /nfs/dbraw/zinc/01/46/07/442014607.db2.gz WAGQPUVEDGSFOK-UHFFFAOYSA-N 1 2 331.445 1.375 40 0 EDABLO C[NH+]1CCN(C(=O)c2[nH]nc3c2CN(Cc2cccs2)C3)CC1 ZINC000096066705 442014610 /nfs/dbraw/zinc/01/46/10/442014610.db2.gz WAGQPUVEDGSFOK-UHFFFAOYSA-N 1 2 331.445 1.375 40 0 EDABLO c1snnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076532 442022251 /nfs/dbraw/zinc/02/22/51/442022251.db2.gz AFMZCBWQTVIIMJ-MRXNPFEDSA-N 1 2 346.460 1.447 40 0 EDABLO c1snnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076532 442022259 /nfs/dbraw/zinc/02/22/59/442022259.db2.gz AFMZCBWQTVIIMJ-MRXNPFEDSA-N 1 2 346.460 1.447 40 0 EDABLO Cc1noc(C)c1C[N@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225512 442094328 /nfs/dbraw/zinc/09/43/28/442094328.db2.gz HWQGMAAUAPBBRD-KRWDZBQOSA-N 1 2 334.420 1.879 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225512 442094331 /nfs/dbraw/zinc/09/43/31/442094331.db2.gz HWQGMAAUAPBBRD-KRWDZBQOSA-N 1 2 334.420 1.879 40 0 EDABLO c1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccnc2)CCO3)s1 ZINC000096226622 442094872 /nfs/dbraw/zinc/09/48/72/442094872.db2.gz QDRNBXMJARTTNP-MRXNPFEDSA-N 1 2 331.445 1.805 40 0 EDABLO c1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)s1 ZINC000096226622 442094876 /nfs/dbraw/zinc/09/48/76/442094876.db2.gz QDRNBXMJARTTNP-MRXNPFEDSA-N 1 2 331.445 1.805 40 0 EDABLO O=C(c1n[nH]c2c1CC[N@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000096187452 442063732 /nfs/dbraw/zinc/06/37/32/442063732.db2.gz PAAJNLMPQZWTLV-UHFFFAOYSA-N 1 2 326.400 1.440 40 0 EDABLO O=C(c1n[nH]c2c1CC[N@@H+](Cc1ccccc1)C2)N1CCOCC1 ZINC000096187452 442063739 /nfs/dbraw/zinc/06/37/39/442063739.db2.gz PAAJNLMPQZWTLV-UHFFFAOYSA-N 1 2 326.400 1.440 40 0 EDABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)c(C)o1 ZINC000096188645 442065999 /nfs/dbraw/zinc/06/59/99/442065999.db2.gz GDDYXIMZEZIEPZ-CQSZACIVSA-N 1 2 340.387 1.657 40 0 EDABLO CCCS(=O)(=O)N1CC2(C1)CC[N@H+](Cc1csc(C)n1)C2 ZINC000096202533 442078972 /nfs/dbraw/zinc/07/89/72/442078972.db2.gz ALLKTRGZDFSHRC-UHFFFAOYSA-N 1 2 329.491 1.699 40 0 EDABLO CCCS(=O)(=O)N1CC2(C1)CC[N@@H+](Cc1csc(C)n1)C2 ZINC000096202533 442078977 /nfs/dbraw/zinc/07/89/77/442078977.db2.gz ALLKTRGZDFSHRC-UHFFFAOYSA-N 1 2 329.491 1.699 40 0 EDABLO CCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1nccs1)C2 ZINC000096215845 442087328 /nfs/dbraw/zinc/08/73/28/442087328.db2.gz ZZKSGBMYTRVHSN-AWEZNQCLSA-N 1 2 329.491 1.781 40 0 EDABLO CCS(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1nccs1)C2 ZINC000096215845 442087332 /nfs/dbraw/zinc/08/73/32/442087332.db2.gz ZZKSGBMYTRVHSN-AWEZNQCLSA-N 1 2 329.491 1.781 40 0 EDABLO CC(C)NC(=O)N1CCOC[C@@]2(C[C@@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240474 442098853 /nfs/dbraw/zinc/09/88/53/442098853.db2.gz QXEBQERSMXHXLR-MAUKXSAKSA-N 1 2 348.447 1.719 40 0 EDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)c1 ZINC000096253043 442104641 /nfs/dbraw/zinc/10/46/41/442104641.db2.gz QGFDPPFHLMZSRK-FGTMMUONSA-N 1 2 330.428 1.811 40 0 EDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)c1 ZINC000096253043 442104643 /nfs/dbraw/zinc/10/46/43/442104643.db2.gz QGFDPPFHLMZSRK-FGTMMUONSA-N 1 2 330.428 1.811 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3ccn(C)n3)CC[N@@H+]2C)c1 ZINC000257288731 443132965 /nfs/dbraw/zinc/13/29/65/443132965.db2.gz PVJSQJQSMWRKDC-QGZVFWFLSA-N 1 2 327.432 1.268 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3ccn(C)n3)CC[N@H+]2C)c1 ZINC000257288731 443132970 /nfs/dbraw/zinc/13/29/70/443132970.db2.gz PVJSQJQSMWRKDC-QGZVFWFLSA-N 1 2 327.432 1.268 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257304541 443139655 /nfs/dbraw/zinc/13/96/55/443139655.db2.gz SMCVCLRGENACQV-LLVKDONJSA-N 1 2 340.474 1.724 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000257304541 443139659 /nfs/dbraw/zinc/13/96/59/443139659.db2.gz SMCVCLRGENACQV-LLVKDONJSA-N 1 2 340.474 1.724 40 0 EDABLO O=C(Cc1cccs1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257341165 443155405 /nfs/dbraw/zinc/15/54/05/443155405.db2.gz ZJCCIWPGOIZOKQ-KRWDZBQOSA-N 1 2 331.441 1.833 40 0 EDABLO Cc1cccc(C[N@H+]2C[C@@H]3O[C@@H](C[C@@]34CCN(CCF)C4=O)C2)n1 ZINC000306123816 444284921 /nfs/dbraw/zinc/28/49/21/444284921.db2.gz AXVJNUSWGOWFGJ-BQFCYCMXSA-N 1 2 333.407 1.551 40 0 EDABLO Cc1cccc(C[N@@H+]2C[C@@H]3O[C@@H](C[C@@]34CCN(CCF)C4=O)C2)n1 ZINC000306123816 444284922 /nfs/dbraw/zinc/28/49/22/444284922.db2.gz AXVJNUSWGOWFGJ-BQFCYCMXSA-N 1 2 333.407 1.551 40 0 EDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@H](C(=O)NCC3CC3)C2)n(C)n1 ZINC000306135869 444286623 /nfs/dbraw/zinc/28/66/23/444286623.db2.gz PDIRSUZOEIFKSC-INIZCTEOSA-N 1 2 328.420 1.008 40 0 EDABLO OCCNc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329070967 444464323 /nfs/dbraw/zinc/46/43/23/444464323.db2.gz ZMLRRASCHDCCFS-UHFFFAOYSA-N 1 2 327.413 1.460 40 0 EDABLO COCC(=O)N1CCC[C@@H](c2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000585260982 448715404 /nfs/dbraw/zinc/71/54/04/448715404.db2.gz ZXSAJTFJOGAVNY-CYBMUJFWSA-N 1 2 329.404 1.538 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)CC1Cc3ccccc3C1)C2 ZINC000585094882 448677282 /nfs/dbraw/zinc/67/72/82/448677282.db2.gz RYDSNVTWPUCWHP-MRXNPFEDSA-N 1 2 325.412 1.471 40 0 EDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096005 448678770 /nfs/dbraw/zinc/67/87/70/448678770.db2.gz KCQLBTPMLOXMQZ-KCPJHIHWSA-N 1 2 344.440 1.800 40 0 EDABLO COCC[NH+]1CCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 ZINC000585289641 448734146 /nfs/dbraw/zinc/73/41/46/448734146.db2.gz TUAYHWOMCFCJAD-DFQSSKMNSA-N 1 2 348.487 1.920 40 0 EDABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)Cn3cncn3)C2)c2sccn12 ZINC000019240758 202001245 /nfs/dbraw/zinc/00/12/45/202001245.db2.gz UTXICFFXIJVXOF-GFCCVEGCSA-N 1 2 330.417 1.702 40 0 EDABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000036741463 202329976 /nfs/dbraw/zinc/32/99/76/202329976.db2.gz WWQCRYLDWNTBQI-MRXNPFEDSA-N 1 2 348.443 1.617 40 0 EDABLO Cc1cn(C)c([C@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)[nH+]1 ZINC000257220499 244182748 /nfs/dbraw/zinc/18/27/48/244182748.db2.gz DLBCOADGOADWLJ-ZDUSSCGKSA-N 1 2 340.383 1.653 40 0 EDABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383064 203210305 /nfs/dbraw/zinc/21/03/05/203210305.db2.gz BYZLCLWKOYPQSQ-AWEZNQCLSA-N 1 2 326.404 1.854 40 0 EDABLO Cc1cc(C)nc(Nc2cccc([C@@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383064 203210308 /nfs/dbraw/zinc/21/03/08/203210308.db2.gz BYZLCLWKOYPQSQ-AWEZNQCLSA-N 1 2 326.404 1.854 40 0 EDABLO Cc1nnc(Nc2cccc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)s1 ZINC000072383059 203210517 /nfs/dbraw/zinc/21/05/17/203210517.db2.gz HZKVVDSJFLOXQN-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cc1nnc(Nc2cccc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)s1 ZINC000072383059 203210520 /nfs/dbraw/zinc/21/05/20/203210520.db2.gz HZKVVDSJFLOXQN-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cc1cnc(NC(=O)C[NH+]2CCC(O)(c3ccccn3)CC2)s1 ZINC000072342271 203203923 /nfs/dbraw/zinc/20/39/23/203203923.db2.gz XFTOSZGBCMYSNO-UHFFFAOYSA-N 1 2 332.429 1.769 40 0 EDABLO CCCCc1[nH]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c[nH+]1 ZINC000257252644 244272541 /nfs/dbraw/zinc/27/25/41/244272541.db2.gz JVOLJNODHTVRBY-HZPDHXFCSA-N 1 2 343.431 1.122 40 0 EDABLO CCCCc1[nH]cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)[nH+]1 ZINC000257252644 244272545 /nfs/dbraw/zinc/27/25/45/244272545.db2.gz JVOLJNODHTVRBY-HZPDHXFCSA-N 1 2 343.431 1.122 40 0 EDABLO Cc1ncsc1C(=O)N(C)C[C@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257255417 244282090 /nfs/dbraw/zinc/28/20/90/244282090.db2.gz KHJVDVWBBVBKOF-MRXNPFEDSA-N 1 2 347.444 1.263 40 0 EDABLO O=C(c1ccnnc1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187905 296275797 /nfs/dbraw/zinc/27/57/97/296275797.db2.gz RHRMCKRLMPWPIS-CQSZACIVSA-N 1 2 327.388 1.372 40 0 EDABLO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)n1 ZINC000096049500 441997799 /nfs/dbraw/zinc/99/77/99/441997799.db2.gz YZMVMVTZKNBQGC-INIZCTEOSA-N 1 2 348.476 1.376 40 0 EDABLO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2cn[nH]n2)C3)n1 ZINC000096049500 441997806 /nfs/dbraw/zinc/99/78/06/441997806.db2.gz YZMVMVTZKNBQGC-INIZCTEOSA-N 1 2 348.476 1.376 40 0 EDABLO c1csc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)n1 ZINC000096049500 441997812 /nfs/dbraw/zinc/99/78/12/441997812.db2.gz YZMVMVTZKNBQGC-INIZCTEOSA-N 1 2 348.476 1.376 40 0 EDABLO c1csc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2c[nH]nn2)C3)n1 ZINC000096049500 441997816 /nfs/dbraw/zinc/99/78/16/441997816.db2.gz YZMVMVTZKNBQGC-INIZCTEOSA-N 1 2 348.476 1.376 40 0 EDABLO Cn1cc[nH+]c1CN1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1 ZINC000096081650 442022854 /nfs/dbraw/zinc/02/28/54/442022854.db2.gz YQLWAAXPMGVPDZ-HZPDHXFCSA-N 1 2 344.390 1.171 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188450 442065932 /nfs/dbraw/zinc/06/59/32/442065932.db2.gz FJDHKYBFJNQUPF-CQSZACIVSA-N 1 2 342.399 1.679 40 0 EDABLO O=C(NCc1ccccc1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201117 442075088 /nfs/dbraw/zinc/07/50/88/442075088.db2.gz MEGOWXQRBQHSTD-UHFFFAOYSA-N 1 2 336.399 1.853 40 0 EDABLO Cn1cc(C[C@H]2[C@H]([NH+]3CCOCC3)CCN2C(=O)c2ccco2)cn1 ZINC000096200959 442075369 /nfs/dbraw/zinc/07/53/69/442075369.db2.gz KOELXAJDIBLBNN-CVEARBPZSA-N 1 2 344.415 1.171 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC000096230425 442097562 /nfs/dbraw/zinc/09/75/62/442097562.db2.gz FGGOJKDXURDLDU-LJQANCHMSA-N 1 2 339.443 1.343 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CN2C ZINC000096230425 442097564 /nfs/dbraw/zinc/09/75/64/442097564.db2.gz FGGOJKDXURDLDU-LJQANCHMSA-N 1 2 339.443 1.343 40 0 EDABLO Cn1nc(C[NH+](C)C)c2c1CN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096259085 442106754 /nfs/dbraw/zinc/10/67/54/442106754.db2.gz MWPNGRZEHSAWCY-UHFFFAOYSA-N 1 2 338.408 1.325 40 0 EDABLO Cn1cc(C[N@@H+]2CCCn3cnc(CN4CCCC4=O)c3C2)cn1 ZINC000096259410 442106845 /nfs/dbraw/zinc/10/68/45/442106845.db2.gz DVKWSVIHDHQEAB-UHFFFAOYSA-N 1 2 328.420 1.145 40 0 EDABLO Cn1cc(C[N@H+]2CCCn3cnc(CN4CCCC4=O)c3C2)cn1 ZINC000096259410 442106850 /nfs/dbraw/zinc/10/68/50/442106850.db2.gz DVKWSVIHDHQEAB-UHFFFAOYSA-N 1 2 328.420 1.145 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2cccnc2)cn1 ZINC000248102210 442881615 /nfs/dbraw/zinc/88/16/15/442881615.db2.gz FGABWMCWJPFYJZ-MRXNPFEDSA-N 1 2 328.416 1.875 40 0 EDABLO Cc1nc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)cc(=O)[nH]1 ZINC000257292769 443134435 /nfs/dbraw/zinc/13/44/35/443134435.db2.gz QMXAVFRGQUAZBJ-AWEZNQCLSA-N 1 2 331.376 1.067 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3c([nH]c2=O)CCC3)[nH+]1 ZINC000257298213 443136171 /nfs/dbraw/zinc/13/61/71/443136171.db2.gz RKRBFGUCOBXEHP-AWEZNQCLSA-N 1 2 328.372 1.521 40 0 EDABLO CCOCC(=O)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257302225 443138408 /nfs/dbraw/zinc/13/84/08/443138408.db2.gz SCACYJXOOIUZHE-KRWDZBQOSA-N 1 2 333.432 1.614 40 0 EDABLO Cc1cncc([C@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000257282575 443129299 /nfs/dbraw/zinc/12/92/99/443129299.db2.gz OUILAYRBZNIFLQ-QGZVFWFLSA-N 1 2 325.416 1.976 40 0 EDABLO Cc1cncc([C@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000257282575 443129304 /nfs/dbraw/zinc/12/93/04/443129304.db2.gz OUILAYRBZNIFLQ-QGZVFWFLSA-N 1 2 325.416 1.976 40 0 EDABLO C[N@H+]1Cc2c(I)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261829870 443170796 /nfs/dbraw/zinc/17/07/96/443170796.db2.gz WFKSLQQPASXEIQ-QMMMGPOBSA-N 1 2 333.125 1.499 40 0 EDABLO C[N@@H+]1Cc2c(I)c3c(cc2[C@@H](O)C1)OCO3 ZINC000261829870 443170801 /nfs/dbraw/zinc/17/08/01/443170801.db2.gz WFKSLQQPASXEIQ-QMMMGPOBSA-N 1 2 333.125 1.499 40 0 EDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)Cc3cccs3)C2)nc[nH+]1 ZINC000257328479 443150140 /nfs/dbraw/zinc/15/01/40/443150140.db2.gz XFUGFGVBKGKMKA-QGZVFWFLSA-N 1 2 346.456 1.489 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585270736 448718251 /nfs/dbraw/zinc/71/82/51/448718251.db2.gz AFSQRIQZHCGGJI-SFHVURJKSA-N 1 2 347.390 1.845 40 0 EDABLO O[C@]1(COc2ccc(F)cc2)COCC[N@H+](Cc2cnccn2)C1 ZINC000585268864 485893656 /nfs/dbraw/zinc/89/36/56/485893656.db2.gz BUNWNWGCDLSPRG-KRWDZBQOSA-N 1 2 333.363 1.258 40 0 EDABLO O[C@]1(COc2ccc(F)cc2)COCC[N@@H+](Cc2cnccn2)C1 ZINC000585268864 485893659 /nfs/dbraw/zinc/89/36/59/485893659.db2.gz BUNWNWGCDLSPRG-KRWDZBQOSA-N 1 2 333.363 1.258 40 0 EDABLO CCn1cc(C(=O)N2CC[NH+](CC)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235961 202081169 /nfs/dbraw/zinc/08/11/69/202081169.db2.gz YQGSBUVUCIWRKF-UHFFFAOYSA-N 1 2 343.427 1.808 40 0 EDABLO C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NCC[NH+]1CCOCC1 ZINC000253403450 201186980 /nfs/dbraw/zinc/18/69/80/201186980.db2.gz PXGKPXMRBQFITL-ZDUSSCGKSA-N 1 2 345.399 1.457 40 0 biogenic,in-vitro EDABLO Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)on1 ZINC000257217872 244174520 /nfs/dbraw/zinc/17/45/20/244174520.db2.gz DAYQGDXMEGAGCR-KRWDZBQOSA-N 1 2 345.403 1.185 40 0 EDABLO Cc1cccnc1C[N@@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257242267 244248515 /nfs/dbraw/zinc/24/85/15/244248515.db2.gz IBSORHVNKQFAMU-CQSZACIVSA-N 1 2 348.472 1.971 40 0 EDABLO Cc1cccnc1C[N@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257242267 244248526 /nfs/dbraw/zinc/24/85/26/244248526.db2.gz IBSORHVNKQFAMU-CQSZACIVSA-N 1 2 348.472 1.971 40 0 EDABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)Cn1cc[nH+]c1)C2 ZINC000257242511 244247624 /nfs/dbraw/zinc/24/76/24/244247624.db2.gz ICWOZHWUHHDRRN-UIBIWLFHSA-N 1 2 330.432 1.664 40 0 EDABLO Cc1c[nH]c([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257254378 244279423 /nfs/dbraw/zinc/27/94/23/244279423.db2.gz KCUSLQUUOHIMAF-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO Cc1c[nH]c([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257254378 244279433 /nfs/dbraw/zinc/27/94/33/244279433.db2.gz KCUSLQUUOHIMAF-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO O=C(CCc1cccs1)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257278310 244397843 /nfs/dbraw/zinc/39/78/43/244397843.db2.gz OBSXDNFSAQESER-KRWDZBQOSA-N 1 2 331.441 1.833 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cncs3)C2)nc[nH+]1 ZINC000257330661 244547320 /nfs/dbraw/zinc/54/73/20/244547320.db2.gz XPJGHKMWHVNZRO-INIZCTEOSA-N 1 2 347.444 1.345 40 0 EDABLO O=C(C1CC1)N1CCc2c(nc3cc(C4CC[NH2+]CC4)[nH]n3c2=O)C1 ZINC000100234456 203991025 /nfs/dbraw/zinc/99/10/25/203991025.db2.gz XGOFYPUXCIHONX-UHFFFAOYSA-N 1 2 341.415 1.197 40 0 EDABLO C[N@@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529996 207165905 /nfs/dbraw/zinc/16/59/05/207165905.db2.gz CAUSQJNUYQPNDU-RYUDHWBXSA-N 1 2 340.380 1.170 40 0 biogenic,in-vitro EDABLO C[N@H+]1C[C@@H](NS(C)(=O)=O)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529996 207165909 /nfs/dbraw/zinc/16/59/09/207165909.db2.gz CAUSQJNUYQPNDU-RYUDHWBXSA-N 1 2 340.380 1.170 40 0 biogenic,in-vitro EDABLO CC(=O)N1CCC[N@H+](Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 ZINC000257308434 278002904 /nfs/dbraw/zinc/00/29/04/278002904.db2.gz TWRIFCHTISUUMY-SFHVURJKSA-N 1 2 332.448 1.947 40 0 EDABLO CC(=O)N1CCC[N@@H+](Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 ZINC000257308434 278002907 /nfs/dbraw/zinc/00/29/07/278002907.db2.gz TWRIFCHTISUUMY-SFHVURJKSA-N 1 2 332.448 1.947 40 0 EDABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019526787 279628249 /nfs/dbraw/zinc/62/82/49/279628249.db2.gz ZMQYZPMMYXYTHK-XMDUPGNXSA-N 1 2 344.411 1.582 40 0 EDABLO CC[NH+]1CCN(C(=O)Nc2c[nH]c3ccc(OC)cc3c2=O)CC1 ZINC000004907639 440930150 /nfs/dbraw/zinc/93/01/50/440930150.db2.gz UBEVXJGLTWVHFC-UHFFFAOYSA-N 1 2 330.388 1.706 40 0 EDABLO CCOc1cc2c(cc1C[N@@H+]1CCn3c(CO)nnc3C1)O[C@@H](C)C2 ZINC000057822855 441136479 /nfs/dbraw/zinc/13/64/79/441136479.db2.gz FIKJMUZQHKAJKQ-LBPRGKRZSA-N 1 2 344.415 1.508 40 0 EDABLO CCOc1cc2c(cc1C[N@H+]1CCn3c(CO)nnc3C1)O[C@@H](C)C2 ZINC000057822855 441136482 /nfs/dbraw/zinc/13/64/82/441136482.db2.gz FIKJMUZQHKAJKQ-LBPRGKRZSA-N 1 2 344.415 1.508 40 0 EDABLO CN(c1ncccn1)[C@@H]1CO[C@@]2(CC[N@H+](Cc3nccn3C)C2)C1 ZINC000096219776 442090821 /nfs/dbraw/zinc/09/08/21/442090821.db2.gz YOTNULLIKUBERT-YOEHRIQHSA-N 1 2 328.420 1.080 40 0 EDABLO CN(c1ncccn1)[C@@H]1CO[C@@]2(CC[N@@H+](Cc3nccn3C)C2)C1 ZINC000096219776 442090823 /nfs/dbraw/zinc/09/08/23/442090823.db2.gz YOTNULLIKUBERT-YOEHRIQHSA-N 1 2 328.420 1.080 40 0 EDABLO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000096185958 442060790 /nfs/dbraw/zinc/06/07/90/442060790.db2.gz HOEIIJPZLZQTRN-BRWVUGGUSA-N 1 2 339.399 1.033 40 0 EDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000096185958 442060793 /nfs/dbraw/zinc/06/07/93/442060793.db2.gz HOEIIJPZLZQTRN-BRWVUGGUSA-N 1 2 339.399 1.033 40 0 EDABLO COC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096187760 442063895 /nfs/dbraw/zinc/06/38/95/442063895.db2.gz XJWBWWWEWWILQS-GFCCVEGCSA-N 1 2 339.392 1.489 40 0 EDABLO O=C(Cc1ccccc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096188629 442065357 /nfs/dbraw/zinc/06/53/57/442065357.db2.gz FSIYQDDJQRXLAL-MRXNPFEDSA-N 1 2 336.399 1.376 40 0 EDABLO O=C(C1CC1)N1Cc2[nH+]ccn2C[C@H](COCc2ccccn2)C1 ZINC000096188151 442065609 /nfs/dbraw/zinc/06/56/09/442065609.db2.gz HZAIZECHLQKLAQ-AWEZNQCLSA-N 1 2 326.400 1.863 40 0 EDABLO O=C(c1ccsc1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188442 442066059 /nfs/dbraw/zinc/06/60/59/442066059.db2.gz QZZQXPNJEJXUND-CYBMUJFWSA-N 1 2 344.440 1.839 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1ccnnc1)C2 ZINC000096254045 442105916 /nfs/dbraw/zinc/10/59/16/442105916.db2.gz HTPISMAIYYFXPS-UHFFFAOYSA-N 1 2 341.419 1.351 40 0 EDABLO CS(=O)(=O)NCc1ncn2c1C[N@H+](Cc1cccs1)CCC2 ZINC000096259433 442107288 /nfs/dbraw/zinc/10/72/88/442107288.db2.gz CIXQFGUKBYKHIM-UHFFFAOYSA-N 1 2 340.474 1.400 40 0 EDABLO CS(=O)(=O)NCc1ncn2c1C[N@@H+](Cc1cccs1)CCC2 ZINC000096259433 442107294 /nfs/dbraw/zinc/10/72/94/442107294.db2.gz CIXQFGUKBYKHIM-UHFFFAOYSA-N 1 2 340.474 1.400 40 0 EDABLO CNC(=O)[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247917356 442873603 /nfs/dbraw/zinc/87/36/03/442873603.db2.gz BLKQQCOONYLRDH-HNNXBMFYSA-N 1 2 334.807 1.718 40 0 EDABLO CNC(=O)[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21 ZINC000247917356 442873605 /nfs/dbraw/zinc/87/36/05/442873605.db2.gz BLKQQCOONYLRDH-HNNXBMFYSA-N 1 2 334.807 1.718 40 0 EDABLO CCS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3ccc(C)o3)C2)OC1 ZINC000248130677 442882628 /nfs/dbraw/zinc/88/26/28/442882628.db2.gz YKGFZPVSHDPGDF-CQSZACIVSA-N 1 2 342.461 1.508 40 0 EDABLO Cc1ccc(NC(=O)C2CC2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225385989 443099668 /nfs/dbraw/zinc/09/96/68/443099668.db2.gz RFTYKOZCXONURN-UHFFFAOYSA-N 1 2 337.445 1.280 40 0 EDABLO O=C(CC1(O)CCCCC1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257303044 443138420 /nfs/dbraw/zinc/13/84/20/443138420.db2.gz SFNXHIFQVZTHOD-LJQANCHMSA-N 1 2 347.459 1.614 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cn3cc(C)ccc3n2)[nH+]1 ZINC000257333849 443152102 /nfs/dbraw/zinc/15/21/02/443152102.db2.gz YDIZCTJBUFFNQH-AWEZNQCLSA-N 1 2 325.372 1.888 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)Cc3cccs3)C2)nc[nH+]1 ZINC000257344400 443156552 /nfs/dbraw/zinc/15/65/52/443156552.db2.gz ZXBDMPSVFLKUSJ-KRWDZBQOSA-N 1 2 346.456 1.537 40 0 EDABLO COCc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cc1 ZINC000585260802 448715199 /nfs/dbraw/zinc/71/51/99/448715199.db2.gz GDXDVKBAUVKDCK-BRWVUGGUSA-N 1 2 329.400 1.914 40 0 EDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585096152 448680204 /nfs/dbraw/zinc/68/02/04/448680204.db2.gz VVTMRWWWFQFGQY-AWEZNQCLSA-N 1 2 332.429 1.800 40 0 EDABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2C(CO)CO)n1 ZINC000072384858 216185579 /nfs/dbraw/zinc/18/55/79/216185579.db2.gz YRWBBVRVDQEICC-AWEZNQCLSA-N 1 2 344.419 1.117 40 0 EDABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2C(CO)CO)n1 ZINC000072384858 216185583 /nfs/dbraw/zinc/18/55/83/216185583.db2.gz YRWBBVRVDQEICC-AWEZNQCLSA-N 1 2 344.419 1.117 40 0 EDABLO Cc1ncc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257207211 244136149 /nfs/dbraw/zinc/13/61/49/244136149.db2.gz BGUSZUOMOJQODD-SFHVURJKSA-N 1 2 341.415 1.250 40 0 EDABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257212924 244158066 /nfs/dbraw/zinc/15/80/66/244158066.db2.gz CFLGONMUQNVEFH-INIZCTEOSA-N 1 2 334.445 1.817 40 0 EDABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257212924 244158070 /nfs/dbraw/zinc/15/80/70/244158070.db2.gz CFLGONMUQNVEFH-INIZCTEOSA-N 1 2 334.445 1.817 40 0 EDABLO COCC(=O)N1CC[C@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257224887 244198416 /nfs/dbraw/zinc/19/84/16/244198416.db2.gz FDVCQKCXRAMRKK-CYBMUJFWSA-N 1 2 329.404 1.223 40 0 EDABLO CC(=O)NCc1cncc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257220854 244183764 /nfs/dbraw/zinc/18/37/64/244183764.db2.gz DMLRIXMQTGDOAT-INIZCTEOSA-N 1 2 342.403 1.063 40 0 EDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]2N1C1CCOCC1 ZINC000257246117 244258744 /nfs/dbraw/zinc/25/87/44/244258744.db2.gz ISOAKWNIYJJNCL-IRXDYDNUSA-N 1 2 334.391 1.416 40 0 EDABLO O=C1CO[C@H]2C[N@H+](Cc3ccccc3F)C[C@@H]2N1C1CCOCC1 ZINC000257246117 244258750 /nfs/dbraw/zinc/25/87/50/244258750.db2.gz ISOAKWNIYJJNCL-IRXDYDNUSA-N 1 2 334.391 1.416 40 0 EDABLO C[N@@H+]1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1 ZINC000257268577 244369384 /nfs/dbraw/zinc/36/93/84/244369384.db2.gz MMHGAUFFIUCAQB-AWEZNQCLSA-N 1 2 332.429 1.400 40 0 EDABLO C[N@H+]1CCO[C@H](c2nccc(CNC(=O)Cc3cccs3)n2)C1 ZINC000257268577 244369396 /nfs/dbraw/zinc/36/93/96/244369396.db2.gz MMHGAUFFIUCAQB-AWEZNQCLSA-N 1 2 332.429 1.400 40 0 EDABLO CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257285859 244420959 /nfs/dbraw/zinc/42/09/59/244420959.db2.gz PJEYVFPNKUGQDU-ZDUSSCGKSA-N 1 2 349.460 1.468 40 0 EDABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)NC)C2)s1 ZINC000019746926 212061574 /nfs/dbraw/zinc/06/15/74/212061574.db2.gz HPGDACLWROFHLD-OAHLLOKOSA-N 1 2 326.466 1.326 40 0 EDABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@@](C)(C(=O)NC)C2)s1 ZINC000019746926 212061575 /nfs/dbraw/zinc/06/15/75/212061575.db2.gz HPGDACLWROFHLD-OAHLLOKOSA-N 1 2 326.466 1.326 40 0 EDABLO CC1(C)C(=O)NCCN1CC(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000019657976 212054152 /nfs/dbraw/zinc/05/41/52/212054152.db2.gz SXTXBNRITCYRHF-UHFFFAOYSA-N 1 2 327.388 1.021 40 0 EDABLO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCOCC3)ccc2N1C(=O)C1CC1 ZINC000019497838 212032663 /nfs/dbraw/zinc/03/26/63/212032663.db2.gz JYLDVVWUAVSJSG-FZKQIMNGSA-N 1 2 330.428 1.740 40 0 EDABLO Cn1c[nH+]cc1CN1CCC[C@H](c2nnsc2S(C)(=O)=O)C1 ZINC000019291824 212012107 /nfs/dbraw/zinc/01/21/07/212012107.db2.gz FMQQGPBSNZTTJG-JTQLQIEISA-N 1 2 341.462 1.055 40 0 EDABLO O=C1CCCN1C[C@H]1Cn2cc[nH+]c2CN(Cc2ccncc2)C1 ZINC000096188428 304628360 /nfs/dbraw/zinc/62/83/60/304628360.db2.gz MKGGYNDKPPNRQV-MRXNPFEDSA-N 1 2 325.416 1.533 40 0 EDABLO Cc1nc(Nc2nncs2)cc([C@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072360390 302611308 /nfs/dbraw/zinc/61/13/08/302611308.db2.gz VOUBEMSXGMSCAX-GFCCVEGCSA-N 1 2 347.448 1.605 40 0 EDABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000257329601 302688399 /nfs/dbraw/zinc/68/83/99/302688399.db2.gz XKRVAGFSSCYBNE-LBPRGKRZSA-N 1 2 335.433 1.325 40 0 EDABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)c2cccnc2)CC1 ZINC000105122653 441236673 /nfs/dbraw/zinc/23/66/73/441236673.db2.gz DMERKTBXIYJXBF-UHFFFAOYSA-N 1 2 325.416 1.663 40 0 EDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@H+](Cc1ccccc1F)CC2 ZINC000019349328 441256725 /nfs/dbraw/zinc/25/67/25/441256725.db2.gz VTDRWQLUCUEGQE-UHFFFAOYSA-N 1 2 337.358 1.924 40 0 EDABLO O=c1[nH]c(-c2cnccn2)nc2c1C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349328 441256729 /nfs/dbraw/zinc/25/67/29/441256729.db2.gz VTDRWQLUCUEGQE-UHFFFAOYSA-N 1 2 337.358 1.924 40 0 EDABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(S(=O)(=O)C1CC1)C2 ZINC000096060256 442007640 /nfs/dbraw/zinc/00/76/40/442007640.db2.gz WOJFOEAYGDLECS-LBPRGKRZSA-N 1 2 325.434 1.238 40 0 EDABLO Cn1ccnc1C[NH+]1CCC2(CC1)[C@H](c1ccncc1)CC(=O)N2C ZINC000096069790 442017383 /nfs/dbraw/zinc/01/73/83/442017383.db2.gz SAOVJKOBFGPKNR-INIZCTEOSA-N 1 2 339.443 1.796 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076534 442021476 /nfs/dbraw/zinc/02/14/76/442021476.db2.gz RVBPUQXAXKQTHN-SFHVURJKSA-N 1 2 342.447 1.329 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076534 442021482 /nfs/dbraw/zinc/02/14/82/442021482.db2.gz RVBPUQXAXKQTHN-SFHVURJKSA-N 1 2 342.447 1.329 40 0 EDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)NC(C)C ZINC000096113005 442037681 /nfs/dbraw/zinc/03/76/81/442037681.db2.gz JRJXUNMVIFWVSO-JKSUJKDBSA-N 1 2 333.432 1.471 40 0 biogenic,in-vitro EDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)NC(C)C ZINC000096113005 442037688 /nfs/dbraw/zinc/03/76/88/442037688.db2.gz JRJXUNMVIFWVSO-JKSUJKDBSA-N 1 2 333.432 1.471 40 0 biogenic,in-vitro EDABLO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096223182 442092960 /nfs/dbraw/zinc/09/29/60/442092960.db2.gz SWOXDCJMXKPDPM-YJBOKZPZSA-N 1 2 342.447 1.754 40 0 EDABLO Cc1ccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096223182 442092966 /nfs/dbraw/zinc/09/29/66/442092966.db2.gz SWOXDCJMXKPDPM-YJBOKZPZSA-N 1 2 342.447 1.754 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226398 442095332 /nfs/dbraw/zinc/09/53/32/442095332.db2.gz KFQMHNFBVGQIHJ-GOSISDBHSA-N 1 2 345.422 1.826 40 0 EDABLO Cn1cc(C[C@H]2[C@H]([NH+]3CCOCC3)CCN2C(=O)c2ccoc2)cn1 ZINC000096200960 442075353 /nfs/dbraw/zinc/07/53/53/442075353.db2.gz LULPJZWVNCDFRO-SJORKVTESA-N 1 2 344.415 1.171 40 0 EDABLO Cc1cnc(N2CCOC[C@@]3(CC[N@@H+](Cc4nccn4C)C3)C2)nc1 ZINC000096202078 442077458 /nfs/dbraw/zinc/07/74/58/442077458.db2.gz ZQXYBDKFUSABNY-GOSISDBHSA-N 1 2 342.447 1.247 40 0 EDABLO Cc1cnc(N2CCOC[C@@]3(CC[N@H+](Cc4nccn4C)C3)C2)nc1 ZINC000096202078 442077459 /nfs/dbraw/zinc/07/74/59/442077459.db2.gz ZQXYBDKFUSABNY-GOSISDBHSA-N 1 2 342.447 1.247 40 0 EDABLO O=C1CCCN1Cc1ncn2c1C[N@H+](Cc1cccnc1)CCC2 ZINC000096259395 442107491 /nfs/dbraw/zinc/10/74/91/442107491.db2.gz ASFFUJFRLWICBZ-UHFFFAOYSA-N 1 2 325.416 1.806 40 0 EDABLO O=C1CCCN1Cc1ncn2c1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096259395 442107497 /nfs/dbraw/zinc/10/74/97/442107497.db2.gz ASFFUJFRLWICBZ-UHFFFAOYSA-N 1 2 325.416 1.806 40 0 EDABLO O=C(c1cocn1)N1Cc2c[nH+]cn2[C@H](COCC2CCOCC2)C1 ZINC000247866923 442870252 /nfs/dbraw/zinc/87/02/52/442870252.db2.gz PADLWVWWOZURAH-HNNXBMFYSA-N 1 2 346.387 1.511 40 0 EDABLO COC[C@@H]1CN(C(=O)c2nn(C)c3ccccc32)Cc2c[nH+]cn21 ZINC000248006066 442877027 /nfs/dbraw/zinc/87/70/27/442877027.db2.gz AQMLIDKEEIGRNF-ZDUSSCGKSA-N 1 2 325.372 1.613 40 0 EDABLO COc1ccccc1[C@H]1CN(C(C)=O)CCN1Cc1[nH+]ccn1C ZINC000257305468 443139531 /nfs/dbraw/zinc/13/95/31/443139531.db2.gz SQEALPGPQBDLRG-MRXNPFEDSA-N 1 2 328.416 1.834 40 0 EDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000257311089 443142274 /nfs/dbraw/zinc/14/22/74/443142274.db2.gz UHXAMSCJOHEZGF-SFHVURJKSA-N 1 2 326.400 1.723 40 0 EDABLO CNC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000257311089 443142279 /nfs/dbraw/zinc/14/22/79/443142279.db2.gz UHXAMSCJOHEZGF-SFHVURJKSA-N 1 2 326.400 1.723 40 0 EDABLO CC(=O)NCc1ccnc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257325653 443147686 /nfs/dbraw/zinc/14/76/86/443147686.db2.gz WTUUPJNUZNEEHC-OAHLLOKOSA-N 1 2 342.403 1.063 40 0 EDABLO COc1ccc(C(=O)C[NH2+][C@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575425027 447859500 /nfs/dbraw/zinc/85/95/00/447859500.db2.gz WUARCLAMYSSXQE-OAHLLOKOSA-N 1 2 327.402 1.053 40 0 EDABLO Cc1ccc(C[C@]2(CO)CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)cc1 ZINC000585276090 448721041 /nfs/dbraw/zinc/72/10/41/448721041.db2.gz LTVLZDNUPNJNLG-GOSISDBHSA-N 1 2 329.400 1.093 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](CN1CCC(F)(F)C1)N(Cc1cn[nH]c1)C2 ZINC000585094600 448677514 /nfs/dbraw/zinc/67/75/14/448677514.db2.gz DOLHPALTHDZCGH-ZDUSSCGKSA-N 1 2 336.390 1.411 40 0 EDABLO Cn1cc(CN2Cc3c[nH+]cn3CC[C@H]2COc2ccccn2)cn1 ZINC000585097798 448682088 /nfs/dbraw/zinc/68/20/88/448682088.db2.gz QGACRDDFJZLBGM-INIZCTEOSA-N 1 2 338.415 1.865 40 0 EDABLO Cc1nc(N2CCOC[C@](O)(COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000585277794 448725572 /nfs/dbraw/zinc/72/55/72/448725572.db2.gz XYZIPGWYIQHZNS-KRWDZBQOSA-N 1 2 333.363 1.571 40 0 EDABLO Cc1nn(C)c(C)c1/C=C/C(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000585289039 448734966 /nfs/dbraw/zinc/73/49/66/448734966.db2.gz DGPHPZYZOSONQX-QDIARDEESA-N 1 2 343.431 1.518 40 0 EDABLO O=c1[nH]c(=S)[nH]c(O)c1[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000223812585 485806969 /nfs/dbraw/zinc/80/69/69/485806969.db2.gz UXIADGDMGDTMFX-AWEZNQCLSA-N 1 2 331.441 1.797 40 0 EDABLO CC(C)Cc1cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)on1 ZINC000257243696 535334538 /nfs/dbraw/zinc/33/45/38/535334538.db2.gz IIDYBYRUQSSWAN-GJZGRUSLSA-N 1 2 332.404 1.908 40 0 EDABLO C[NH2+]CC(=O)N1CCC[C@@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072360929 290638415 /nfs/dbraw/zinc/63/84/15/290638415.db2.gz TUBPCPOSKLAPQJ-LLVKDONJSA-N 1 2 333.421 1.263 40 0 EDABLO Cc1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cnc2ccnn21 ZINC000038829564 213226479 /nfs/dbraw/zinc/22/64/79/213226479.db2.gz UXRWTTREHSNRGU-UHFFFAOYSA-N 1 2 335.411 1.996 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000072360943 216167884 /nfs/dbraw/zinc/16/78/84/216167884.db2.gz YEIQSPZNJFTKIN-ZDUSSCGKSA-N 1 2 341.419 1.292 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000072360943 216167887 /nfs/dbraw/zinc/16/78/87/216167887.db2.gz YEIQSPZNJFTKIN-ZDUSSCGKSA-N 1 2 341.419 1.292 40 0 EDABLO CNc1cccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)[nH+]1 ZINC000072368825 216175611 /nfs/dbraw/zinc/17/56/11/216175611.db2.gz NXBBKWXVMZSDOA-UHFFFAOYSA-N 1 2 335.433 1.425 40 0 EDABLO CNC(=O)c1ccc([C@@H]2C[N@H+](Cc3scnc3C)CCO2)nc1 ZINC000072388103 216188379 /nfs/dbraw/zinc/18/83/79/216188379.db2.gz LMDCVTONQFNYIP-AWEZNQCLSA-N 1 2 332.429 1.780 40 0 EDABLO CNC(=O)c1ccc([C@@H]2C[N@@H+](Cc3scnc3C)CCO2)nc1 ZINC000072388103 216188381 /nfs/dbraw/zinc/18/83/81/216188381.db2.gz LMDCVTONQFNYIP-AWEZNQCLSA-N 1 2 332.429 1.780 40 0 EDABLO Cc1cc(CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)ncn1 ZINC000257207102 244137472 /nfs/dbraw/zinc/13/74/72/244137472.db2.gz BGIZRHFDVJDOKY-INIZCTEOSA-N 1 2 329.404 1.232 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(CC(C)C)nn2C)[nH+]1 ZINC000257248686 244263858 /nfs/dbraw/zinc/26/38/58/244263858.db2.gz JETQZIUXGHLLKD-HNNXBMFYSA-N 1 2 331.420 1.864 40 0 EDABLO CC1CCN(S(=O)(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000019656663 212053591 /nfs/dbraw/zinc/05/35/91/212053591.db2.gz HUYNSXRCZOPNCJ-UHFFFAOYSA-N 1 2 338.477 1.570 40 0 EDABLO CCc1ccc(S(=O)(=O)N2Cc3[nH+]ccn3C[C@@H](COC)C2)cc1 ZINC000096187775 218655652 /nfs/dbraw/zinc/65/56/52/218655652.db2.gz YKSIGFNUNLIZRI-OAHLLOKOSA-N 1 2 349.456 1.913 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@H+](Cc3ccncc3)C2)n1 ZINC000096188707 293248693 /nfs/dbraw/zinc/24/86/93/293248693.db2.gz LEWKDKSGKUZUQW-QGZVFWFLSA-N 1 2 337.431 1.819 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@@H+](Cc3ccncc3)C2)n1 ZINC000096188707 293248697 /nfs/dbraw/zinc/24/86/97/293248697.db2.gz LEWKDKSGKUZUQW-QGZVFWFLSA-N 1 2 337.431 1.819 40 0 EDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](Cc2cccs2)C1 ZINC000015674048 441207654 /nfs/dbraw/zinc/20/76/54/441207654.db2.gz ASNOSCRTYSJIDH-MFKMUULPSA-N 1 2 329.385 1.896 40 0 biogenic,in-vitro EDABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674048 441207657 /nfs/dbraw/zinc/20/76/57/441207657.db2.gz ASNOSCRTYSJIDH-MFKMUULPSA-N 1 2 329.385 1.896 40 0 biogenic,in-vitro EDABLO C[C@@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)[NH+]1CCOCC1 ZINC000019078413 441254641 /nfs/dbraw/zinc/25/46/41/441254641.db2.gz VNSFDOHQQXRYGE-HOCLYGCPSA-N 1 2 342.443 1.990 40 0 EDABLO CC(C)(C)C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1 ZINC000019082154 441254682 /nfs/dbraw/zinc/25/46/82/441254682.db2.gz ASXRJLKVOTUAFU-UHFFFAOYSA-N 1 2 347.463 1.592 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000107723571 441427501 /nfs/dbraw/zinc/42/75/01/441427501.db2.gz HFDXOIOBWDSANI-HIFRSBDPSA-N 1 2 329.404 1.115 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@H+]([C@H]1CCOC1)C2 ZINC000107723571 441427506 /nfs/dbraw/zinc/42/75/06/441427506.db2.gz HFDXOIOBWDSANI-HIFRSBDPSA-N 1 2 329.404 1.115 40 0 EDABLO O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000107198213 441403433 /nfs/dbraw/zinc/40/34/33/441403433.db2.gz QYCNYKUFGXEPFU-SOUVJXGZSA-N 1 2 344.440 1.586 40 0 EDABLO O=C(NCc1cccnc1)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2nccs2)O1 ZINC000107198213 441403434 /nfs/dbraw/zinc/40/34/34/441403434.db2.gz QYCNYKUFGXEPFU-SOUVJXGZSA-N 1 2 344.440 1.586 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096059128 442006775 /nfs/dbraw/zinc/00/67/75/442006775.db2.gz HKZXSUCIZRJZQO-CYBMUJFWSA-N 1 2 349.460 1.076 40 0 EDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1)N1CCCCO1 ZINC000096065639 442014424 /nfs/dbraw/zinc/01/44/24/442014424.db2.gz BUUNGMZWJBLEMU-BFHYXJOUSA-N 1 2 337.445 1.677 40 0 EDABLO O=C([C@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1)N1CCCCO1 ZINC000096065639 442014431 /nfs/dbraw/zinc/01/44/31/442014431.db2.gz BUUNGMZWJBLEMU-BFHYXJOUSA-N 1 2 337.445 1.677 40 0 EDABLO O=C1CO[C@]2(CN1c1ccccn1)COCC[N@H+](Cc1ccco1)C2 ZINC000096078358 442021139 /nfs/dbraw/zinc/02/11/39/442021139.db2.gz AKRMUYBMWVZKEP-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO O=C1CO[C@]2(CN1c1ccccn1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096078358 442021141 /nfs/dbraw/zinc/02/11/41/442021141.db2.gz AKRMUYBMWVZKEP-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096223179 442092532 /nfs/dbraw/zinc/09/25/32/442092532.db2.gz SWOXDCJMXKPDPM-QAPCUYQASA-N 1 2 342.447 1.754 40 0 EDABLO Cc1ccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096223179 442092537 /nfs/dbraw/zinc/09/25/37/442092537.db2.gz SWOXDCJMXKPDPM-QAPCUYQASA-N 1 2 342.447 1.754 40 0 EDABLO O=C(N1CCOCC1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187937 442065322 /nfs/dbraw/zinc/06/53/22/442065322.db2.gz YIWAULDJJYGWDB-HNNXBMFYSA-N 1 2 334.420 1.194 40 0 EDABLO Cc1occc1C(=O)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188441 442066130 /nfs/dbraw/zinc/06/61/30/442066130.db2.gz JDHSSEDDZHMVQO-AWEZNQCLSA-N 1 2 342.399 1.679 40 0 EDABLO CC(C)n1nc(Cn2cc[nH+]c2)c2c1CN(C(=O)c1ccno1)C2 ZINC000096259160 442107060 /nfs/dbraw/zinc/10/70/60/442107060.db2.gz GVIDAOXNFFMMKC-UHFFFAOYSA-N 1 2 326.360 1.853 40 0 EDABLO CNc1nccnc1[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000257323350 443146676 /nfs/dbraw/zinc/14/66/76/443146676.db2.gz WJUJJOSZIVIGIZ-CYBMUJFWSA-N 1 2 330.392 1.095 40 0 EDABLO O=C(CCCn1cc[nH+]c1)NC[C@@]1(O)CCCN(c2ccccn2)C1 ZINC000257332233 443151321 /nfs/dbraw/zinc/15/13/21/443151321.db2.gz XWIGUZZASMGVTH-SFHVURJKSA-N 1 2 343.431 1.206 40 0 EDABLO Cc1cc(=O)[nH]c([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257341686 443155958 /nfs/dbraw/zinc/15/59/58/443155958.db2.gz ZLKSEZLZJISDPX-CYBMUJFWSA-N 1 2 331.376 1.067 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2cnccn2)CCO3)cn1 ZINC000306125799 444285346 /nfs/dbraw/zinc/28/53/46/444285346.db2.gz DCRJKSHIUUHYFR-OAHLLOKOSA-N 1 2 343.431 1.660 40 0 EDABLO COc1ccccc1C[N@H+]1Cc2ncnn2C[C@@H](C(=O)NC(C)C)C1 ZINC000306142220 444287705 /nfs/dbraw/zinc/28/77/05/444287705.db2.gz WTRNYLUYYPTSGL-HNNXBMFYSA-N 1 2 343.431 1.443 40 0 EDABLO COc1ccccc1C[N@@H+]1Cc2ncnn2C[C@@H](C(=O)NC(C)C)C1 ZINC000306142220 444287707 /nfs/dbraw/zinc/28/77/07/444287707.db2.gz WTRNYLUYYPTSGL-HNNXBMFYSA-N 1 2 343.431 1.443 40 0 EDABLO O=C(CC1CC1)NCc1c[nH+]c2n1CCN(C(=O)C1(F)CC1)CC2 ZINC000585110628 448691451 /nfs/dbraw/zinc/69/14/51/448691451.db2.gz OJJCKYGIZKJRBM-UHFFFAOYSA-N 1 2 334.395 1.186 40 0 EDABLO Cc1nc(N2CCOC[C@](O)(COc3cccc(F)c3)C2)cc[nH+]1 ZINC000585276869 448723026 /nfs/dbraw/zinc/72/30/26/448723026.db2.gz SESAGEMOOMRXNC-KRWDZBQOSA-N 1 2 333.363 1.571 40 0 EDABLO COCCc1c[nH+]c2n1CCN(S(=O)(=O)c1cccnc1)[C@@H]2C ZINC000585098679 448684127 /nfs/dbraw/zinc/68/41/27/448684127.db2.gz WVWXENZORUEOIR-GFCCVEGCSA-N 1 2 336.417 1.233 40 0 EDABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(C)c1C ZINC000101370800 219124841 /nfs/dbraw/zinc/12/48/41/219124841.db2.gz NLHYCDGQGDKLPU-UHFFFAOYSA-O 1 2 338.453 1.686 40 0 EDABLO CC(=O)N1CC[N@@H+](C)[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000072367420 216174786 /nfs/dbraw/zinc/17/47/86/216174786.db2.gz NVSNBDQZAQOBIO-SFHVURJKSA-N 1 2 344.459 1.025 40 0 EDABLO CC(=O)N1CC[N@H+](C)[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000072367420 216174789 /nfs/dbraw/zinc/17/47/89/216174789.db2.gz NVSNBDQZAQOBIO-SFHVURJKSA-N 1 2 344.459 1.025 40 0 EDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)Cc1cccnc1 ZINC000257204739 244131281 /nfs/dbraw/zinc/13/12/81/244131281.db2.gz AWCVPRANVGOEBE-LJQANCHMSA-N 1 2 340.427 1.509 40 0 EDABLO CCc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257252994 244272315 /nfs/dbraw/zinc/27/23/15/244272315.db2.gz JXCYFKMWRIMWHO-SFHVURJKSA-N 1 2 344.415 1.736 40 0 EDABLO C[N@H+](CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1)Cc1cccnc1 ZINC000257262015 244349948 /nfs/dbraw/zinc/34/99/48/244349948.db2.gz LJRCHXCCOUMVED-OAHLLOKOSA-N 1 2 327.432 1.718 40 0 EDABLO C[N@@H+](CC(=O)N1CCC[C@H](Cc2cc[nH]n2)C1)Cc1cccnc1 ZINC000257262015 244349953 /nfs/dbraw/zinc/34/99/53/244349953.db2.gz LJRCHXCCOUMVED-OAHLLOKOSA-N 1 2 327.432 1.718 40 0 EDABLO Cc1cc2nc(C3CC[NH+](Cc4ccnn4C)CC3)cc(=O)n2[nH]1 ZINC000257277302 244397470 /nfs/dbraw/zinc/39/74/70/244397470.db2.gz NXHYYCDJEOUTMM-UHFFFAOYSA-N 1 2 326.404 1.856 40 0 EDABLO Cc1nn(C)c2nc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)ccc12 ZINC000257334934 244560129 /nfs/dbraw/zinc/56/01/29/244560129.db2.gz YHXNJPCPVPJDFG-AWEZNQCLSA-N 1 2 338.415 1.879 40 0 EDABLO Cc1ccc2nc(C(=O)N3CC[NH+](CCOC(C)C)CC3)cn2c1 ZINC000019234347 212007703 /nfs/dbraw/zinc/00/77/03/212007703.db2.gz SEUGURWBCDBMGH-UHFFFAOYSA-N 1 2 330.432 1.826 40 0 EDABLO COc1cc(C(=S)NCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000408572180 250304871 /nfs/dbraw/zinc/30/48/71/250304871.db2.gz HGFASNFVJYQFHA-UHFFFAOYSA-N 1 2 340.445 1.310 40 0 EDABLO CN(c1ccncn1)C1CC2(C1)CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC000257204362 289786669 /nfs/dbraw/zinc/78/66/69/289786669.db2.gz AUEPCMUUKXLMPB-UHFFFAOYSA-N 1 2 326.404 1.191 40 0 EDABLO Cn1nccc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108532412 441460622 /nfs/dbraw/zinc/46/06/22/441460622.db2.gz JKNAKLIRSQFAMZ-HOTGVXAUSA-N 1 2 346.456 1.597 40 0 EDABLO Cn1nccc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108532412 441460624 /nfs/dbraw/zinc/46/06/24/441460624.db2.gz JKNAKLIRSQFAMZ-HOTGVXAUSA-N 1 2 346.456 1.597 40 0 EDABLO COC[C@H]1CN(C(=O)COc2ccccc2C)Cc2[nH+]cn(C)c21 ZINC000096044809 441992387 /nfs/dbraw/zinc/99/23/87/441992387.db2.gz JNERVBWJDORNNA-CQSZACIVSA-N 1 2 329.400 1.880 40 0 EDABLO c1csc(CN2CCOC[C@]3(C[C@@H](Cn4cc[nH+]c4)CO3)C2)n1 ZINC000096052061 442000109 /nfs/dbraw/zinc/00/01/09/442000109.db2.gz CVGKIGPOMYYMGB-HOCLYGCPSA-N 1 2 334.445 1.647 40 0 EDABLO Cc1ccc(C[N@H+]2Cc3nccn3C[C@H](COCC(=O)N(C)C)C2)o1 ZINC000096059129 442007020 /nfs/dbraw/zinc/00/70/20/442007020.db2.gz AXNQPHROXZUWCW-OAHLLOKOSA-N 1 2 346.431 1.521 40 0 EDABLO Cc1ccc(C[N@@H+]2Cc3nccn3C[C@H](COCC(=O)N(C)C)C2)o1 ZINC000096059129 442007025 /nfs/dbraw/zinc/00/70/25/442007025.db2.gz AXNQPHROXZUWCW-OAHLLOKOSA-N 1 2 346.431 1.521 40 0 EDABLO Cc1ccc(CN2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)o1 ZINC000096059599 442008013 /nfs/dbraw/zinc/00/80/13/442008013.db2.gz FAQOTCODUJYMLK-UHFFFAOYSA-N 1 2 339.399 1.795 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccoc1)c1ccnnc1 ZINC000096082661 442023655 /nfs/dbraw/zinc/02/36/55/442023655.db2.gz LWFRJOUVZXAJPX-USXIJHARSA-N 1 2 342.399 1.479 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccoc1)c1ccnnc1 ZINC000096082661 442023663 /nfs/dbraw/zinc/02/36/63/442023663.db2.gz LWFRJOUVZXAJPX-USXIJHARSA-N 1 2 342.399 1.479 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)cn1 ZINC000096226326 442093705 /nfs/dbraw/zinc/09/37/05/442093705.db2.gz KMOGUTRQYKQEQM-GOSISDBHSA-N 1 2 327.432 1.687 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4cccnc4)C3)C2)cn1 ZINC000096226326 442093708 /nfs/dbraw/zinc/09/37/08/442093708.db2.gz KMOGUTRQYKQEQM-GOSISDBHSA-N 1 2 327.432 1.687 40 0 EDABLO CCCS(=O)(=O)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159009 442048940 /nfs/dbraw/zinc/04/89/40/442048940.db2.gz ITTBIKUSRDMZNK-UHFFFAOYSA-N 1 2 339.461 1.493 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccnc2)CCO3)o1 ZINC000096226647 442095003 /nfs/dbraw/zinc/09/50/03/442095003.db2.gz WZDRSBXVVFWQJS-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)o1 ZINC000096226647 442095010 /nfs/dbraw/zinc/09/50/10/442095010.db2.gz WZDRSBXVVFWQJS-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2ccccc2)C1 ZINC000096187802 442064496 /nfs/dbraw/zinc/06/44/96/442064496.db2.gz JTPLBIDQAOFTCY-CQSZACIVSA-N 1 2 335.429 1.740 40 0 EDABLO O=C(Cc1cccc(F)c1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201105 442075880 /nfs/dbraw/zinc/07/58/80/442075880.db2.gz WPLKXFDIGDJGBY-UHFFFAOYSA-N 1 2 339.374 1.852 40 0 EDABLO c1csc(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096202298 442077514 /nfs/dbraw/zinc/07/75/14/442077514.db2.gz RIRCTSSPYUZYJU-MRXNPFEDSA-N 1 2 331.445 1.662 40 0 EDABLO c1csc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096202298 442077519 /nfs/dbraw/zinc/07/75/19/442077519.db2.gz RIRCTSSPYUZYJU-MRXNPFEDSA-N 1 2 331.445 1.662 40 0 EDABLO Cc1nccnc1CC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC000257288485 443132258 /nfs/dbraw/zinc/13/22/58/443132258.db2.gz PUJVGWFTHYUKPV-HNNXBMFYSA-N 1 2 329.404 1.232 40 0 EDABLO Cc1cc(OCC(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)c2cccc(C)c2[nH+]1 ZINC000257298562 443136782 /nfs/dbraw/zinc/13/67/82/443136782.db2.gz RMGLZERPDZFHLV-SPYBWZPUSA-N 1 2 344.411 1.621 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC[N@@H+]2C)cc1 ZINC000257333667 443151598 /nfs/dbraw/zinc/15/15/98/443151598.db2.gz YCNWEYLAPDADJP-CQSZACIVSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC[N@H+]2C)cc1 ZINC000257333667 443151604 /nfs/dbraw/zinc/15/16/04/443151604.db2.gz YCNWEYLAPDADJP-CQSZACIVSA-N 1 2 344.371 1.025 40 0 EDABLO Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4)C3)ccc12 ZINC000257334935 443152009 /nfs/dbraw/zinc/15/20/09/443152009.db2.gz YHXNJPCPVPJDFG-CQSZACIVSA-N 1 2 338.415 1.879 40 0 EDABLO Fc1cccnc1N1CC[C@@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000302882639 444229276 /nfs/dbraw/zinc/22/92/76/444229276.db2.gz IXBZTAKKHXMSCX-CYBMUJFWSA-N 1 2 344.394 1.538 40 0 EDABLO Fc1cccnc1N1CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000302882639 444229278 /nfs/dbraw/zinc/22/92/78/444229278.db2.gz IXBZTAKKHXMSCX-CYBMUJFWSA-N 1 2 344.394 1.538 40 0 EDABLO CC(C)n1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N(C)C)C2)cn1 ZINC000306144963 444288086 /nfs/dbraw/zinc/28/80/86/444288086.db2.gz ZTKXQNUQHIGUJQ-AWEZNQCLSA-N 1 2 330.436 1.385 40 0 EDABLO CC(C)n1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N(C)C)C2)cn1 ZINC000306144963 444288087 /nfs/dbraw/zinc/28/80/87/444288087.db2.gz ZTKXQNUQHIGUJQ-AWEZNQCLSA-N 1 2 330.436 1.385 40 0 EDABLO C[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329050110 444458299 /nfs/dbraw/zinc/45/82/99/444458299.db2.gz UTCRSTFSWIGADY-HNNXBMFYSA-N 1 2 349.438 1.830 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000328981176 444432754 /nfs/dbraw/zinc/43/27/54/444432754.db2.gz GSAXGHZGMNTTHN-CYBMUJFWSA-N 1 2 336.399 1.182 40 0 EDABLO CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514288998 448159872 /nfs/dbraw/zinc/15/98/72/448159872.db2.gz HWVNBWPPEFDGTO-ZWKOTPCHSA-N 1 2 343.471 1.288 40 0 biogenic,in-vitro EDABLO CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514288998 448159875 /nfs/dbraw/zinc/15/98/75/448159875.db2.gz HWVNBWPPEFDGTO-ZWKOTPCHSA-N 1 2 343.471 1.288 40 0 biogenic,in-vitro EDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585094807 448676974 /nfs/dbraw/zinc/67/69/74/448676974.db2.gz NNCGCBCFFKBDGK-GFCCVEGCSA-N 1 2 329.356 1.362 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OC(C)C)C[C@@H]1C(=O)N(C)C ZINC000257268572 534794109 /nfs/dbraw/zinc/79/41/09/534794109.db2.gz MMGOYSIWKIUYLW-QGZVFWFLSA-N 1 2 347.459 1.595 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccccc2OC(C)C)C[C@@H]1C(=O)N(C)C ZINC000257268572 534794117 /nfs/dbraw/zinc/79/41/17/534794117.db2.gz MMGOYSIWKIUYLW-QGZVFWFLSA-N 1 2 347.459 1.595 40 0 EDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](C)C1 ZINC000020464195 212134907 /nfs/dbraw/zinc/13/49/07/212134907.db2.gz YXLFHFXGKGWANN-STQMWFEESA-N 1 2 331.376 1.030 40 0 biogenic,in-vitro EDABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](C)C1 ZINC000020464195 212134909 /nfs/dbraw/zinc/13/49/09/212134909.db2.gz YXLFHFXGKGWANN-STQMWFEESA-N 1 2 331.376 1.030 40 0 biogenic,in-vitro EDABLO CN(C(=O)CCCn1cncn1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257215115 244163824 /nfs/dbraw/zinc/16/38/24/244163824.db2.gz COTIIVQZUPXKER-BFYDXBDKSA-N 1 2 346.435 1.258 40 0 EDABLO Cc1cc(CC2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc[nH+]1 ZINC000257251946 244270724 /nfs/dbraw/zinc/27/07/24/244270724.db2.gz JSYOXKDLPOZVFP-UHFFFAOYSA-N 1 2 334.445 1.767 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2c(F)cccc2F)C[C@@H](C(=O)N(C)C)C1 ZINC000257256213 244281150 /nfs/dbraw/zinc/28/11/50/244281150.db2.gz KKMYDLKENMXTDN-CYBMUJFWSA-N 1 2 339.386 1.333 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2c(F)cccc2F)C[C@@H](C(=O)N(C)C)C1 ZINC000257256213 244281155 /nfs/dbraw/zinc/28/11/55/244281155.db2.gz KKMYDLKENMXTDN-CYBMUJFWSA-N 1 2 339.386 1.333 40 0 EDABLO Cc1ccnn1CCC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257272646 244382416 /nfs/dbraw/zinc/38/24/16/244382416.db2.gz NDGPKGOCVRAEAY-GOSISDBHSA-N 1 2 343.431 1.076 40 0 EDABLO Cc1cnc(C(=O)N2Cc3[nH+]ccn3C[C@H](Cn3cccn3)C2)cn1 ZINC000096067056 281573861 /nfs/dbraw/zinc/57/38/61/281573861.db2.gz SMEADPYENMGKRL-AWEZNQCLSA-N 1 2 337.387 1.150 40 0 EDABLO Cc1nc(C)n(C[C@@H]2Cn3cc[nH+]c3CN(C(=O)C3CC=CC3)C2)n1 ZINC000096188714 293247666 /nfs/dbraw/zinc/24/76/66/293247666.db2.gz RALPSVNTOMABLA-OAHLLOKOSA-N 1 2 340.431 1.716 40 0 EDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257320449 293486669 /nfs/dbraw/zinc/48/66/69/293486669.db2.gz VWWBQSLDZQELTP-OAHLLOKOSA-N 1 2 325.372 1.508 40 0 EDABLO COc1ccccc1NC(=O)[C@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000000542412 440829671 /nfs/dbraw/zinc/82/96/71/440829671.db2.gz QHDIAWBQJBQLQA-CYBMUJFWSA-N 1 2 330.388 1.364 40 0 EDABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000019526789 441257324 /nfs/dbraw/zinc/25/73/24/441257324.db2.gz ZMQYZPMMYXYTHK-XTDOFWJNSA-N 1 2 344.411 1.582 40 0 EDABLO CC(C)[N@@H+]1CCc2c(nc(C(=O)NCCc3cccnc3)n2C)C1 ZINC000096147093 442045085 /nfs/dbraw/zinc/04/50/85/442045085.db2.gz FJJCNSPFIXYRSW-UHFFFAOYSA-N 1 2 327.432 1.554 40 0 EDABLO CC(C)[N@H+]1CCc2c(nc(C(=O)NCCc3cccnc3)n2C)C1 ZINC000096147093 442045086 /nfs/dbraw/zinc/04/50/86/442045086.db2.gz FJJCNSPFIXYRSW-UHFFFAOYSA-N 1 2 327.432 1.554 40 0 EDABLO O=C(c1ccccc1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188737 442066761 /nfs/dbraw/zinc/06/67/61/442066761.db2.gz UGDFGITVDVSOKD-OAHLLOKOSA-N 1 2 349.394 1.412 40 0 EDABLO O=C([C@H]1CCOC1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198953 442073099 /nfs/dbraw/zinc/07/30/99/442073099.db2.gz MAJGECNGKDVYJD-KRWDZBQOSA-N 1 2 338.411 1.862 40 0 EDABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000096207241 442082414 /nfs/dbraw/zinc/08/24/14/442082414.db2.gz NLJZXUCLUYLSQZ-ZDUSSCGKSA-N 1 2 343.383 1.921 40 0 EDABLO O=C(Cc1ccccn1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096208040 442083201 /nfs/dbraw/zinc/08/32/01/442083201.db2.gz YRLRTQLVTBEPIK-MRXNPFEDSA-N 1 2 340.427 1.906 40 0 EDABLO Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4ccco4)[C@@H](C2)O3)n1 ZINC000096253818 442104815 /nfs/dbraw/zinc/10/48/15/442104815.db2.gz RSCUWESSQWJLFV-FGTMMUONSA-N 1 2 341.411 1.889 40 0 EDABLO Cc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4ccco4)[C@@H](C2)O3)n1 ZINC000096253818 442104819 /nfs/dbraw/zinc/10/48/19/442104819.db2.gz RSCUWESSQWJLFV-FGTMMUONSA-N 1 2 341.411 1.889 40 0 EDABLO COC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1cccc3[nH]ccc31)C2 ZINC000247897959 442872293 /nfs/dbraw/zinc/87/22/93/442872293.db2.gz VFFSTDWXJKWSIA-CQSZACIVSA-N 1 2 334.441 1.803 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000250664883 443013554 /nfs/dbraw/zinc/01/35/54/443013554.db2.gz HLHAWHLEKDKHAY-DOMZBBRYSA-N 1 2 348.374 1.733 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000250664883 443013558 /nfs/dbraw/zinc/01/35/58/443013558.db2.gz HLHAWHLEKDKHAY-DOMZBBRYSA-N 1 2 348.374 1.733 40 0 EDABLO CSc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(C)=O ZINC000223591991 443092284 /nfs/dbraw/zinc/09/22/84/443092284.db2.gz GUVLWNSCOOPUKB-UHFFFAOYSA-N 1 2 343.474 1.303 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cscn3)CC[N@@H+]2C)c1 ZINC000257302726 443138593 /nfs/dbraw/zinc/13/85/93/443138593.db2.gz SEBGJYOIFLWSOP-INIZCTEOSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cscn3)CC[N@H+]2C)c1 ZINC000257302726 443138597 /nfs/dbraw/zinc/13/85/97/443138597.db2.gz SEBGJYOIFLWSOP-INIZCTEOSA-N 1 2 330.457 1.991 40 0 EDABLO CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000257318056 443145117 /nfs/dbraw/zinc/14/51/17/443145117.db2.gz VMHGTVDDUMLSAI-INIZCTEOSA-N 1 2 327.388 1.347 40 0 EDABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCN(S(C)(=O)=O)C3)n2)n1C ZINC000257323940 443147694 /nfs/dbraw/zinc/14/76/94/443147694.db2.gz WMNDSFMWGXPERX-LBPRGKRZSA-N 1 2 335.433 1.010 40 0 EDABLO CN(C)S(=O)(=O)N1CCC[C@H]1c1cccc(-c2c[nH+]cn2C)n1 ZINC000257282120 443129591 /nfs/dbraw/zinc/12/95/91/443129591.db2.gz OSKAMIGMCZXKJC-AWEZNQCLSA-N 1 2 335.433 1.425 40 0 EDABLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257330043 443150147 /nfs/dbraw/zinc/15/01/47/443150147.db2.gz XMNPCXRKWKGCHC-BFYDXBDKSA-N 1 2 330.388 1.145 40 0 EDABLO O=C(C1CC=CC1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000306128242 444285597 /nfs/dbraw/zinc/28/55/97/444285597.db2.gz GUYVNVNUHAHAAK-MOPGFXCFSA-N 1 2 341.455 1.892 40 0 EDABLO COCCN1CCN(C(=O)c2cc(C(C)=O)n[nH]2)Cc2ccc[nH+]c21 ZINC000585113285 448693735 /nfs/dbraw/zinc/69/37/35/448693735.db2.gz SWAGTAIJUXSRTH-UHFFFAOYSA-N 1 2 343.387 1.116 40 0 EDABLO Cc1ccccc1OC[C@@]1(O)COCCN(c2cc[nH+]c(C)n2)C1 ZINC000585275348 448719401 /nfs/dbraw/zinc/71/94/01/448719401.db2.gz CSFQXVJLXRAXRY-SFHVURJKSA-N 1 2 329.400 1.740 40 0 EDABLO CCn1c[nH+]cc1CN1CCO[C@@](CO)(Cc2cccc(F)c2)C1 ZINC000585275414 448719581 /nfs/dbraw/zinc/71/95/81/448719581.db2.gz DOHOCFBFVVZIPR-SFHVURJKSA-N 1 2 333.407 1.848 40 0 EDABLO C[C@@H]1C[C@@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585096032 448678508 /nfs/dbraw/zinc/67/85/08/448678508.db2.gz NPHMIGNOBJKGBF-BYCMXARLSA-N 1 2 328.372 1.332 40 0 EDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585095938 448678833 /nfs/dbraw/zinc/67/88/33/448678833.db2.gz DWWAHCNNMZMXKV-OAHLLOKOSA-N 1 2 330.388 1.722 40 0 EDABLO CO[C@@H]1COC[C@@H]([N@H+](C)Cc2ccccc2Br)[C@@H]1O ZINC000585290833 448736456 /nfs/dbraw/zinc/73/64/56/448736456.db2.gz HJSKMJXEQUIYSF-MCIONIFRSA-N 1 2 330.222 1.656 40 0 EDABLO CO[C@@H]1COC[C@@H]([N@@H+](C)Cc2ccccc2Br)[C@@H]1O ZINC000585290833 448736466 /nfs/dbraw/zinc/73/64/66/448736466.db2.gz HJSKMJXEQUIYSF-MCIONIFRSA-N 1 2 330.222 1.656 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=S)NCCOC)CC1 ZINC000035291811 213018145 /nfs/dbraw/zinc/01/81/45/213018145.db2.gz PJOSNBDLIDULNV-UHFFFAOYSA-N 1 2 347.488 1.699 40 0 EDABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361840 216168630 /nfs/dbraw/zinc/16/86/30/216168630.db2.gz WEBIEZHGJHWEAD-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361840 216168635 /nfs/dbraw/zinc/16/86/35/216168635.db2.gz WEBIEZHGJHWEAD-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO Cc1cc(N2CCO[C@@H](c3ccc(CCC(N)=O)cn3)C2)nc[nH+]1 ZINC000072378795 216180569 /nfs/dbraw/zinc/18/05/69/216180569.db2.gz XOVREFWJSNKISR-OAHLLOKOSA-N 1 2 327.388 1.176 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2nccn2C)CC3)C1 ZINC000072389580 216189067 /nfs/dbraw/zinc/18/90/67/216189067.db2.gz CBKAGMWFQYOLEB-CYBMUJFWSA-N 1 2 342.447 1.298 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2nccn2C)CC3)C1 ZINC000072389580 216189070 /nfs/dbraw/zinc/18/90/70/216189070.db2.gz CBKAGMWFQYOLEB-CYBMUJFWSA-N 1 2 342.447 1.298 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2[nH+]ccn2C)CC3)C1 ZINC000072389580 216189071 /nfs/dbraw/zinc/18/90/71/216189071.db2.gz CBKAGMWFQYOLEB-CYBMUJFWSA-N 1 2 342.447 1.298 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2cccnc2)cn1 ZINC000248102207 243523669 /nfs/dbraw/zinc/52/36/69/243523669.db2.gz FGABWMCWJPFYJZ-INIZCTEOSA-N 1 2 328.416 1.875 40 0 EDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2ccc(Br)cc2)CCO1 ZINC000257207615 244140535 /nfs/dbraw/zinc/14/05/35/244140535.db2.gz BIMSCXSQJAXXJQ-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccc(Br)cc2)CCO1 ZINC000257207615 244140542 /nfs/dbraw/zinc/14/05/42/244140542.db2.gz BIMSCXSQJAXXJQ-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO CNc1nccnc1C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC000257245970 244257898 /nfs/dbraw/zinc/25/78/98/244257898.db2.gz IRXOTVYPJNCABF-CQSZACIVSA-N 1 2 328.420 1.586 40 0 EDABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)Cn2cccn2)cc1 ZINC000257246821 244258874 /nfs/dbraw/zinc/25/88/74/244258874.db2.gz IVYXHNSPUZXTOK-INIZCTEOSA-N 1 2 337.383 1.872 40 0 EDABLO O=C(Cn1cc(Cl)cn1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257257530 244288812 /nfs/dbraw/zinc/28/88/12/244288812.db2.gz KQAPMRBDJUZYBV-MRXNPFEDSA-N 1 2 349.822 1.079 40 0 EDABLO Cc1[nH+]cc(-c2cccc([C@H]3CCCN3S(=O)(=O)N(C)C)n2)n1C ZINC000257316616 244507470 /nfs/dbraw/zinc/50/74/70/244507470.db2.gz VGINFAASFDYRSR-OAHLLOKOSA-N 1 2 349.460 1.734 40 0 EDABLO Cc1cc(C)n(C[C@H](O)CN(Cc2ccco2)Cc2[nH]cc[nH+]2)n1 ZINC000019573760 212045077 /nfs/dbraw/zinc/04/50/77/212045077.db2.gz AYWVLKDCFAHXLX-OAHLLOKOSA-N 1 2 329.404 1.879 40 0 EDABLO CCn1ncc(-c2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)no2)c1C ZINC000019524048 212037929 /nfs/dbraw/zinc/03/79/29/212037929.db2.gz ABQUKJKGQAUGLH-GFCCVEGCSA-N 1 2 347.419 1.317 40 0 EDABLO 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ZINC000096043149 441990810 /nfs/dbraw/zinc/99/08/10/441990810.db2.gz LHWOYBORJQMYAT-UAGQMJEPSA-N 1 2 345.443 1.596 40 0 EDABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@H](C(=O)NCC3CC3)O[C@H]2C1 ZINC000096043149 441990814 /nfs/dbraw/zinc/99/08/14/441990814.db2.gz LHWOYBORJQMYAT-UAGQMJEPSA-N 1 2 345.443 1.596 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cn1 ZINC000096041893 441989877 /nfs/dbraw/zinc/98/98/77/441989877.db2.gz QYZWTTCZZVOWSZ-ARFHVFGLSA-N 1 2 332.379 1.765 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](Oc4ncccc4F)CC[C@@H]32)cn1 ZINC000096041893 441989881 /nfs/dbraw/zinc/98/98/81/441989881.db2.gz QYZWTTCZZVOWSZ-ARFHVFGLSA-N 1 2 332.379 1.765 40 0 EDABLO O=C(Cc1ccccc1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096067058 442014677 /nfs/dbraw/zinc/01/46/77/442014677.db2.gz PYSBIJPFSWJKFU-KRWDZBQOSA-N 1 2 335.411 1.981 40 0 EDABLO O=C1COC2(CC[NH+](Cc3nccs3)CC2)CN1c1cncnc1 ZINC000096159142 442049194 /nfs/dbraw/zinc/04/91/94/442049194.db2.gz WABDUURKSMUPJF-UHFFFAOYSA-N 1 2 345.428 1.331 40 0 EDABLO O=C(c1n[nH]c2c1CC[N@H+](Cc1cccs1)C2)N1CCOCC1 ZINC000096187449 442064529 /nfs/dbraw/zinc/06/45/29/442064529.db2.gz HBSCIBWDNUPFPT-UHFFFAOYSA-N 1 2 332.429 1.502 40 0 EDABLO O=C(c1n[nH]c2c1CC[N@@H+](Cc1cccs1)C2)N1CCOCC1 ZINC000096187449 442064532 /nfs/dbraw/zinc/06/45/32/442064532.db2.gz HBSCIBWDNUPFPT-UHFFFAOYSA-N 1 2 332.429 1.502 40 0 EDABLO Cc1nc(C[N@H+]2CCc3ncc(Cn4cccn4)n3CC2)cs1 ZINC000096196939 442070585 /nfs/dbraw/zinc/07/05/85/442070585.db2.gz PWLPJNCTRBAWAF-UHFFFAOYSA-N 1 2 328.445 1.951 40 0 EDABLO Cc1nc(C[N@@H+]2CCc3ncc(Cn4cccn4)n3CC2)cs1 ZINC000096196939 442070590 /nfs/dbraw/zinc/07/05/90/442070590.db2.gz PWLPJNCTRBAWAF-UHFFFAOYSA-N 1 2 328.445 1.951 40 0 EDABLO O=C(c1ccoc1)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC000096197578 442072136 /nfs/dbraw/zinc/07/21/36/442072136.db2.gz CVJQHZQGJBGIRE-UHFFFAOYSA-N 1 2 339.355 1.127 40 0 EDABLO Cc1cnc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)cn1 ZINC000096207830 442082180 /nfs/dbraw/zinc/08/21/80/442082180.db2.gz ZPQLKERRTXHYIO-OAHLLOKOSA-N 1 2 341.415 1.680 40 0 EDABLO CS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1 ZINC000247546737 442861526 /nfs/dbraw/zinc/86/15/26/442861526.db2.gz UTAPYBIPDRRARF-LBPRGKRZSA-N 1 2 330.475 1.278 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000248051605 442879610 /nfs/dbraw/zinc/87/96/10/442879610.db2.gz XOCAOWFQTBCFON-AWEZNQCLSA-N 1 2 334.445 1.606 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000248051605 442879616 /nfs/dbraw/zinc/87/96/16/442879616.db2.gz XOCAOWFQTBCFON-AWEZNQCLSA-N 1 2 334.445 1.606 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@@H+]2C(C)(C)C1 ZINC000253396111 443054823 /nfs/dbraw/zinc/05/48/23/443054823.db2.gz DCBGFDOUKWYPGA-INIZCTEOSA-N 1 2 348.422 1.985 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CC[N@H+]2C(C)(C)C1 ZINC000253396111 443054830 /nfs/dbraw/zinc/05/48/30/443054830.db2.gz DCBGFDOUKWYPGA-INIZCTEOSA-N 1 2 348.422 1.985 40 0 biogenic,in-vitro EDABLO Cc1ncoc1C(=O)N(C)C[C@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257298298 443136585 /nfs/dbraw/zinc/13/65/85/443136585.db2.gz RLCHZZPFUVWNMJ-QGZVFWFLSA-N 1 2 345.403 1.185 40 0 EDABLO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@@H+]1Cc1ccccn1 ZINC000257304396 443139180 /nfs/dbraw/zinc/13/91/80/443139180.db2.gz SLLAYFFRRCQVBZ-IBGZPJMESA-N 1 2 337.427 1.985 40 0 EDABLO O=C(N1CCCC1)[C@@]1(c2cnccn2)CCC[N@H+]1Cc1ccccn1 ZINC000257304396 443139184 /nfs/dbraw/zinc/13/91/84/443139184.db2.gz SLLAYFFRRCQVBZ-IBGZPJMESA-N 1 2 337.427 1.985 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@@H+]1C(C)C ZINC000257305603 443139460 /nfs/dbraw/zinc/13/94/60/443139460.db2.gz SQSZWBBYULONJW-INIZCTEOSA-N 1 2 333.432 1.114 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(COC)cc2)CC[N@H+]1C(C)C ZINC000257305603 443139463 /nfs/dbraw/zinc/13/94/63/443139463.db2.gz SQSZWBBYULONJW-INIZCTEOSA-N 1 2 333.432 1.114 40 0 EDABLO CNC(=O)c1cc(C)nc([C@@]2(C)CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257306627 443140470 /nfs/dbraw/zinc/14/04/70/443140470.db2.gz SVCDBXNAJSQMQB-QGZVFWFLSA-N 1 2 326.404 1.759 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)CN2CCCC2=O)CC[N@@H+]1C ZINC000257319095 443145370 /nfs/dbraw/zinc/14/53/70/443145370.db2.gz VQSLRVFTIYKFRE-OAHLLOKOSA-N 1 2 331.416 1.133 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)CN2CCCC2=O)CC[N@H+]1C ZINC000257319095 443145375 /nfs/dbraw/zinc/14/53/75/443145375.db2.gz VQSLRVFTIYKFRE-OAHLLOKOSA-N 1 2 331.416 1.133 40 0 EDABLO Cc1c[nH]c([C@H]2CN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)CCO2)n1 ZINC000257333962 443151994 /nfs/dbraw/zinc/15/19/94/443151994.db2.gz YDXBEYDROAYMRJ-CQSZACIVSA-N 1 2 338.371 1.513 40 0 EDABLO CNc1cc([C@@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)cc[nH+]1 ZINC000257344658 443156590 /nfs/dbraw/zinc/15/65/90/443156590.db2.gz ZYEMOAVZXCBYLO-OAHLLOKOSA-N 1 2 341.415 1.395 40 0 EDABLO COCCN1CC[C@]2(C[N@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093475 448675839 /nfs/dbraw/zinc/67/58/39/448675839.db2.gz YRWQTCUIYCWDID-HNNXBMFYSA-N 1 2 342.390 1.424 40 0 EDABLO COCCN1CC[C@]2(C[N@@H+](Cc3cc(C)n[nH]3)CC(F)(F)C2)C1=O ZINC000585093475 448675844 /nfs/dbraw/zinc/67/58/44/448675844.db2.gz YRWQTCUIYCWDID-HNNXBMFYSA-N 1 2 342.390 1.424 40 0 EDABLO CNC(=O)C[C@@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)Cc2ccnn21 ZINC000585111715 448692548 /nfs/dbraw/zinc/69/25/48/448692548.db2.gz GNJLASLVEPIEAQ-OAHLLOKOSA-N 1 2 344.415 1.593 40 0 EDABLO CNC(=O)C[C@@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)Cc2ccnn21 ZINC000585111715 448692549 /nfs/dbraw/zinc/69/25/49/448692549.db2.gz GNJLASLVEPIEAQ-OAHLLOKOSA-N 1 2 344.415 1.593 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C ZINC000257268571 534794045 /nfs/dbraw/zinc/79/40/45/534794045.db2.gz MMGOYSIWKIUYLW-KRWDZBQOSA-N 1 2 347.459 1.595 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccccc2OC(C)C)C[C@H]1C(=O)N(C)C ZINC000257268571 534794052 /nfs/dbraw/zinc/79/40/52/534794052.db2.gz MMGOYSIWKIUYLW-KRWDZBQOSA-N 1 2 347.459 1.595 40 0 EDABLO C[NH+]1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000038755924 213224844 /nfs/dbraw/zinc/22/48/44/213224844.db2.gz BWDLOUYDSNPRQH-UHFFFAOYSA-N 1 2 331.825 1.099 40 0 EDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000072379908 216183197 /nfs/dbraw/zinc/18/31/97/216183197.db2.gz QBRGJOCOHZIRGA-SFHVURJKSA-N 1 2 326.400 1.481 40 0 EDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000072379908 216183199 /nfs/dbraw/zinc/18/31/99/216183199.db2.gz QBRGJOCOHZIRGA-SFHVURJKSA-N 1 2 326.400 1.481 40 0 EDABLO O=S(=O)(Cc1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000023510872 212381918 /nfs/dbraw/zinc/38/19/18/212381918.db2.gz VRURPLCNLLQBCA-UHFFFAOYSA-N 1 2 332.853 1.482 40 0 EDABLO CCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COCCCCC ZINC000022584284 212307695 /nfs/dbraw/zinc/30/76/95/212307695.db2.gz PSPSDCDWUSVNRF-QZTJIDSGSA-N 1 2 348.528 1.301 40 0 EDABLO CCn1cc(C(=O)N2CC[NH+](C)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235905 212283860 /nfs/dbraw/zinc/28/38/60/212283860.db2.gz RRTHZABISIMSCV-UHFFFAOYSA-N 1 2 329.400 1.418 40 0 EDABLO Cc1nc(C)c(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257250013 244266054 /nfs/dbraw/zinc/26/60/54/244266054.db2.gz JKQGLPHDEJXHMM-QGZVFWFLSA-N 1 2 346.456 1.868 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC[N@@H+]1C(C)C ZINC000257257224 244283544 /nfs/dbraw/zinc/28/35/44/244283544.db2.gz KOQFYQPZRSQJDP-INIZCTEOSA-N 1 2 346.406 1.588 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC[N@H+]1C(C)C ZINC000257257224 244283553 /nfs/dbraw/zinc/28/35/53/244283553.db2.gz KOQFYQPZRSQJDP-INIZCTEOSA-N 1 2 346.406 1.588 40 0 EDABLO NC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020105701 212101055 /nfs/dbraw/zinc/10/10/55/212101055.db2.gz UMFDBCUHZPPWLC-UHFFFAOYSA-N 1 2 339.395 1.870 40 0 EDABLO CC(=O)NCc1cnc(CC2CCN(c3cc(C)[nH+]cn3)CC2)cn1 ZINC000257270591 244375435 /nfs/dbraw/zinc/37/54/35/244375435.db2.gz MUWCQLBSTRXXTK-UHFFFAOYSA-N 1 2 340.431 1.670 40 0 EDABLO CN(C(=O)c1cnn2cccnc12)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257263260 244352794 /nfs/dbraw/zinc/35/27/94/244352794.db2.gz LPAVQAQDNHJCPK-AWEZNQCLSA-N 1 2 336.399 1.865 40 0 EDABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2)C1 ZINC000019747657 212061678 /nfs/dbraw/zinc/06/16/78/212061678.db2.gz XWJRHEMARMQYGH-KRWDZBQOSA-N 1 2 340.427 1.987 40 0 EDABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2)C1 ZINC000019747657 212061679 /nfs/dbraw/zinc/06/16/79/212061679.db2.gz XWJRHEMARMQYGH-KRWDZBQOSA-N 1 2 340.427 1.987 40 0 EDABLO CN(CC[NH+]1CCOCC1)c1cc2nonc2c(Br)c1 ZINC000078549635 217072430 /nfs/dbraw/zinc/07/24/30/217072430.db2.gz RBABDAVDEXTEQC-UHFFFAOYSA-N 1 2 341.209 1.754 40 0 EDABLO C[NH+]1CCN(C(=O)CSc2nnc(Cc3ccccc3)[nH]2)CC1 ZINC000408559228 250304725 /nfs/dbraw/zinc/30/47/25/250304725.db2.gz YKXZYZOLKUMTGL-UHFFFAOYSA-N 1 2 331.445 1.262 40 0 EDABLO C[NH+]1CCN(C(=O)CSc2nc(Cc3ccccc3)n[nH]2)CC1 ZINC000408559228 250304728 /nfs/dbraw/zinc/30/47/28/250304728.db2.gz YKXZYZOLKUMTGL-UHFFFAOYSA-N 1 2 331.445 1.262 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000107785433 441429514 /nfs/dbraw/zinc/42/95/14/441429514.db2.gz AOZJSEPMBDIKKW-AEFFLSMTSA-N 1 2 328.416 1.765 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000107785433 441429515 /nfs/dbraw/zinc/42/95/15/441429515.db2.gz AOZJSEPMBDIKKW-AEFFLSMTSA-N 1 2 328.416 1.765 40 0 EDABLO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCOCC3)[C@H]3OCCC[C@H]3C2)cn1 ZINC000096040618 441986542 /nfs/dbraw/zinc/98/65/42/441986542.db2.gz BLVKVONQEYWDMN-KSZLIROESA-N 1 2 345.443 1.342 40 0 EDABLO Cc1oncc1C(=O)N1CCc2c(C[NH+]3CCOCC3)cncc2C1 ZINC000096067408 442016119 /nfs/dbraw/zinc/01/61/19/442016119.db2.gz UMJMGNPVJOSCFQ-UHFFFAOYSA-N 1 2 342.399 1.409 40 0 EDABLO CCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@H+]2CC ZINC000096077211 442022033 /nfs/dbraw/zinc/02/20/33/442022033.db2.gz KCNZNSJZLVXHLB-UHFFFAOYSA-N 1 2 344.459 1.830 40 0 EDABLO CCC(=O)N1CCC2(CC1)C(=O)N(c1ccc(C)nc1)CC[N@@H+]2CC ZINC000096077211 442022039 /nfs/dbraw/zinc/02/20/39/442022039.db2.gz KCNZNSJZLVXHLB-UHFFFAOYSA-N 1 2 344.459 1.830 40 0 EDABLO O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000096225604 442094386 /nfs/dbraw/zinc/09/43/86/442094386.db2.gz SXSUUYVHKASKHN-YJBOKZPZSA-N 1 2 344.415 1.098 40 0 EDABLO O=C(NC[C@@H]1CCCO1)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000096225604 442094388 /nfs/dbraw/zinc/09/43/88/442094388.db2.gz SXSUUYVHKASKHN-YJBOKZPZSA-N 1 2 344.415 1.098 40 0 EDABLO COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096187237 442064594 /nfs/dbraw/zinc/06/45/94/442064594.db2.gz UXXJSJIYSGHIJW-JHJVBQTASA-N 1 2 325.434 1.028 40 0 EDABLO COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096187237 442064597 /nfs/dbraw/zinc/06/45/97/442064597.db2.gz UXXJSJIYSGHIJW-JHJVBQTASA-N 1 2 325.434 1.028 40 0 EDABLO CS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239630 442099082 /nfs/dbraw/zinc/09/90/82/442099082.db2.gz MASLWTQEKXBHAT-ZDUSSCGKSA-N 1 2 331.388 1.579 40 0 EDABLO Cc1cccc(COC[C@H]2CN(S(C)(=O)=O)Cc3c[nH+]cn32)n1 ZINC000247877166 442871849 /nfs/dbraw/zinc/87/18/49/442871849.db2.gz PACPGIXIHUNXNP-OAHLLOKOSA-N 1 2 336.417 1.120 40 0 EDABLO Cn1cc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)cn1 ZINC000248147597 442884320 /nfs/dbraw/zinc/88/43/20/442884320.db2.gz SHKCZTCKYYKBIV-RRFJBIMHSA-N 1 2 327.388 1.014 40 0 EDABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc[nH+]1 ZINC000257307812 443140211 /nfs/dbraw/zinc/14/02/11/443140211.db2.gz TUFQQJCFWHIJDL-AWEZNQCLSA-N 1 2 326.400 1.842 40 0 EDABLO COc1ccc([C@H]2CN(CC(=O)N3CCCCC3)CC[N@@H+]2C)cc1 ZINC000257308205 443140680 /nfs/dbraw/zinc/14/06/80/443140680.db2.gz TVVQHFUFEWJCAT-GOSISDBHSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@H]2CN(CC(=O)N3CCCCC3)CC[N@H+]2C)cc1 ZINC000257308205 443140685 /nfs/dbraw/zinc/14/06/85/443140685.db2.gz TVVQHFUFEWJCAT-GOSISDBHSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@H]2C[N@H+](CC(=O)N3CCCCC3)CCN2C)cc1 ZINC000257308205 443140689 /nfs/dbraw/zinc/14/06/89/443140689.db2.gz TVVQHFUFEWJCAT-GOSISDBHSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C)cc1 ZINC000257308205 443140690 /nfs/dbraw/zinc/14/06/90/443140690.db2.gz TVVQHFUFEWJCAT-GOSISDBHSA-N 1 2 331.460 1.996 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257312126 443142616 /nfs/dbraw/zinc/14/26/16/443142616.db2.gz UMPIIEIOHMZYFO-ZDUSSCGKSA-N 1 2 335.433 1.071 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccnc(N3CCCC3)c2)[nH+]1 ZINC000257265953 443126777 /nfs/dbraw/zinc/12/67/77/443126777.db2.gz MAZRDICFEJUKLX-OAHLLOKOSA-N 1 2 341.415 1.927 40 0 EDABLO Cc1ccnc([C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257328969 443150485 /nfs/dbraw/zinc/15/04/85/443150485.db2.gz XHVHEQWTKYZFTH-KRWDZBQOSA-N 1 2 329.400 1.730 40 0 EDABLO Cc1ccnc([C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257328969 443150487 /nfs/dbraw/zinc/15/04/87/443150487.db2.gz XHVHEQWTKYZFTH-KRWDZBQOSA-N 1 2 329.400 1.730 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cc[nH+]1 ZINC000257337712 443153975 /nfs/dbraw/zinc/15/39/75/443153975.db2.gz YUBVDOAXMNNCSB-CYBMUJFWSA-N 1 2 335.433 1.439 40 0 EDABLO C[N@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 ZINC000306130281 444285857 /nfs/dbraw/zinc/28/58/57/444285857.db2.gz JBGKKFDECJYLBY-CABCVRRESA-N 1 2 345.424 1.348 40 0 EDABLO C[N@@H+]1C[C@@H]2[C@H](C1)Oc1ncccc1S(=O)(=O)N2Cc1ccccc1 ZINC000306130281 444285858 /nfs/dbraw/zinc/28/58/58/444285858.db2.gz JBGKKFDECJYLBY-CABCVRRESA-N 1 2 345.424 1.348 40 0 EDABLO C[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329044227 444456309 /nfs/dbraw/zinc/45/63/09/444456309.db2.gz SVFANCUNBIOEBG-UKRRQHHQSA-N 1 2 328.416 1.371 40 0 EDABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3cncnc3)C[C@H]21 ZINC000514288591 448159759 /nfs/dbraw/zinc/15/97/59/448159759.db2.gz FFKBQLBFRSNYNN-ZBFHGGJFSA-N 1 2 328.347 1.333 40 0 biogenic,in-vitro EDABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3cncnc3)C[C@H]21 ZINC000514288591 448159764 /nfs/dbraw/zinc/15/97/64/448159764.db2.gz FFKBQLBFRSNYNN-ZBFHGGJFSA-N 1 2 328.347 1.333 40 0 biogenic,in-vitro EDABLO Cn1c[nH+]c2c1C[C@H](COCc1ccncc1)N(Cc1cn[nH]c1)C2 ZINC000585094960 448676946 /nfs/dbraw/zinc/67/69/46/448676946.db2.gz XBQUILVJMKJEFY-MRXNPFEDSA-N 1 2 338.415 1.682 40 0 EDABLO CN(C)C(=O)C[C@]1(O)COCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585280608 448730678 /nfs/dbraw/zinc/73/06/78/448730678.db2.gz LNARZHKWQHVAFX-MRXNPFEDSA-N 1 2 344.814 1.521 40 0 EDABLO CN(C)C(=O)C[C@]1(O)COCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585280608 448730682 /nfs/dbraw/zinc/73/06/82/448730682.db2.gz LNARZHKWQHVAFX-MRXNPFEDSA-N 1 2 344.814 1.521 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cnc[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257201944 536944911 /nfs/dbraw/zinc/94/49/11/536944911.db2.gz AJSLRBAYKJHIEW-OAHLLOKOSA-N 1 2 328.372 1.320 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cnc[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257201944 536944916 /nfs/dbraw/zinc/94/49/16/536944916.db2.gz AJSLRBAYKJHIEW-OAHLLOKOSA-N 1 2 328.372 1.320 40 0 EDABLO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000685938869 539554880 /nfs/dbraw/zinc/55/48/80/539554880.db2.gz DNZKTJDISYWENQ-HNNXBMFYSA-N 1 2 326.466 1.122 40 0 EDABLO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000685938869 539554884 /nfs/dbraw/zinc/55/48/84/539554884.db2.gz DNZKTJDISYWENQ-HNNXBMFYSA-N 1 2 326.466 1.122 40 0 EDABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)o2)n1 ZINC000035426004 213027789 /nfs/dbraw/zinc/02/77/89/213027789.db2.gz OAXISZCLRMAVDR-ZDUSSCGKSA-N 1 2 342.359 1.531 40 0 biogenic,in-vitro EDABLO Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(CO)o2)n1 ZINC000035426004 213027793 /nfs/dbraw/zinc/02/77/93/213027793.db2.gz OAXISZCLRMAVDR-ZDUSSCGKSA-N 1 2 342.359 1.531 40 0 biogenic,in-vitro EDABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)COC)C1 ZINC000072350615 216162167 /nfs/dbraw/zinc/16/21/67/216162167.db2.gz UMKUBGPSEUJQSE-CYBMUJFWSA-N 1 2 329.404 1.577 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383072 216183527 /nfs/dbraw/zinc/18/35/27/216183527.db2.gz PVMUIGCLPQLWSY-ZDUSSCGKSA-N 1 2 327.392 1.249 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383072 216183529 /nfs/dbraw/zinc/18/35/29/216183529.db2.gz PVMUIGCLPQLWSY-ZDUSSCGKSA-N 1 2 327.392 1.249 40 0 EDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)Cc1ccsc1 ZINC000257224754 244194245 /nfs/dbraw/zinc/19/42/45/244194245.db2.gz FDFKLJJYUKWBFK-KRWDZBQOSA-N 1 2 331.441 1.785 40 0 EDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000257219661 244179138 /nfs/dbraw/zinc/17/91/38/244179138.db2.gz DHPLVDAFPRQVJY-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000257219661 244179145 /nfs/dbraw/zinc/17/91/45/244179145.db2.gz DHPLVDAFPRQVJY-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO Cc1[nH+]cc(-c2nccnc2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000257220508 244182605 /nfs/dbraw/zinc/18/26/05/244182605.db2.gz DLBGCBIFTIRJBM-ZDUSSCGKSA-N 1 2 349.460 1.400 40 0 EDABLO O=S(=O)(C1CCCC1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257237423 244233707 /nfs/dbraw/zinc/23/37/07/244233707.db2.gz HGKJKGOBILJECI-CHWSQXEVSA-N 1 2 338.420 1.035 40 0 EDABLO CNC(=O)c1cc(C[C@@H]2CCCN(c3cccc[nH+]3)C2)nc(C)n1 ZINC000257293369 244439810 /nfs/dbraw/zinc/43/98/10/244439810.db2.gz QPEOZFNKDGFFTK-AWEZNQCLSA-N 1 2 325.416 1.999 40 0 EDABLO COCC[NH+]1CCN(C(=O)c2ncoc2-c2cccc(OC)c2)CC1 ZINC000019593407 212050849 /nfs/dbraw/zinc/05/08/49/212050849.db2.gz HFFHDGRGXZJLJV-UHFFFAOYSA-N 1 2 345.399 1.754 40 0 EDABLO Cc1cc(C)n(C[C@@H](O)C[N@@H+](Cc2cnn(C)c2)Cc2ccco2)n1 ZINC000019573798 212046013 /nfs/dbraw/zinc/04/60/13/212046013.db2.gz GJIRAOYQFAXSSK-KRWDZBQOSA-N 1 2 343.431 1.890 40 0 EDABLO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2cnn(C)c2)Cc2ccco2)n1 ZINC000019573798 212046015 /nfs/dbraw/zinc/04/60/15/212046015.db2.gz GJIRAOYQFAXSSK-KRWDZBQOSA-N 1 2 343.431 1.890 40 0 EDABLO COc1cccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c1 ZINC000012182520 211312625 /nfs/dbraw/zinc/31/26/25/211312625.db2.gz GPILHBFRKRARFH-UHFFFAOYSA-N 1 2 340.427 1.937 40 0 EDABLO COc1cccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)c1 ZINC000012182520 211312627 /nfs/dbraw/zinc/31/26/27/211312627.db2.gz GPILHBFRKRARFH-UHFFFAOYSA-N 1 2 340.427 1.937 40 0 EDABLO Cn1ccnc1C1(O)CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000012114364 211292769 /nfs/dbraw/zinc/29/27/69/211292769.db2.gz QNRKYCGGYIRFQJ-UHFFFAOYSA-N 1 2 332.379 1.481 40 0 EDABLO CC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@H]3NC2=O)cc1 ZINC000004815622 210285384 /nfs/dbraw/zinc/28/53/84/210285384.db2.gz IDBSMNWITVOZEX-ARFHVFGLSA-N 1 2 329.400 1.617 40 0 EDABLO C[C@H]1CCCN(c2ncccc2C(=O)NCC[NH+]2CCOCC2)C1 ZINC000036740108 132392855 /nfs/dbraw/zinc/39/28/55/132392855.db2.gz SXBAZMBNSAXYFJ-HNNXBMFYSA-N 1 2 332.448 1.380 40 0 EDABLO O=C(C1CC=CC1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096066991 295438835 /nfs/dbraw/zinc/43/88/35/295438835.db2.gz XIRMFVYGJHQJNI-CQSZACIVSA-N 1 2 328.416 1.430 40 0 EDABLO Cn1nc(-c2ccncc2)cc1C[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000019289044 441255446 /nfs/dbraw/zinc/25/54/46/441255446.db2.gz IWCGGYIFAYIQCW-UHFFFAOYSA-N 1 2 339.443 1.926 40 0 EDABLO c1nncn1N1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676426 441265799 /nfs/dbraw/zinc/26/57/99/441265799.db2.gz BQBYIRHOXIVFGX-UHFFFAOYSA-N 1 2 349.402 1.187 40 0 EDABLO Cc1ccccc1-c1noc(CCC(=O)NCC[NH+]2CCOCC2)n1 ZINC000041184268 441637740 /nfs/dbraw/zinc/63/77/40/441637740.db2.gz VAMNBZRVCRGIDW-UHFFFAOYSA-N 1 2 344.415 1.426 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@@H]3C2)cs1 ZINC000096042894 441991083 /nfs/dbraw/zinc/99/10/83/441991083.db2.gz AXIODRLSPNYJOZ-CWRNSKLLSA-N 1 2 335.473 1.957 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCC4CC4)O[C@@H]3C2)cs1 ZINC000096042894 441991086 /nfs/dbraw/zinc/99/10/86/441991086.db2.gz AXIODRLSPNYJOZ-CWRNSKLLSA-N 1 2 335.473 1.957 40 0 EDABLO COC[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096044773 441992932 /nfs/dbraw/zinc/99/29/32/441992932.db2.gz XESAVCSGIQGVDY-GFCCVEGCSA-N 1 2 329.356 1.535 40 0 EDABLO O=C(c1cccs1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188457 442065191 /nfs/dbraw/zinc/06/51/91/442065191.db2.gz KNPGQCBBARHHSB-ZDUSSCGKSA-N 1 2 344.440 1.839 40 0 EDABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H](CN3CCCC3=O)C2)no1 ZINC000096188452 442065742 /nfs/dbraw/zinc/06/57/42/442065742.db2.gz SSSYPGPHVRMRJN-CYBMUJFWSA-N 1 2 343.387 1.074 40 0 EDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000096206464 442080266 /nfs/dbraw/zinc/08/02/66/442080266.db2.gz FRYDUTDRBLAXHB-AWEZNQCLSA-N 1 2 343.383 1.459 40 0 EDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)cc1 ZINC000096253224 442104986 /nfs/dbraw/zinc/10/49/86/442104986.db2.gz WJZKWRPMQCRKKG-FGTMMUONSA-N 1 2 346.427 1.143 40 0 EDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCOCC4)[C@@H](C2)O3)cc1 ZINC000096253224 442104990 /nfs/dbraw/zinc/10/49/90/442104990.db2.gz WJZKWRPMQCRKKG-FGTMMUONSA-N 1 2 346.427 1.143 40 0 EDABLO O=C(NC1CC1)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247726712 442866799 /nfs/dbraw/zinc/86/67/99/442866799.db2.gz DYCPQEFSJGXSHE-OAHLLOKOSA-N 1 2 340.383 1.447 40 0 EDABLO CN(C)C(=O)[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247985385 442876207 /nfs/dbraw/zinc/87/62/07/442876207.db2.gz KMYSEWITRKEAFN-QGZVFWFLSA-N 1 2 328.416 1.545 40 0 EDABLO CN(C)C(=O)[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247985385 442876211 /nfs/dbraw/zinc/87/62/11/442876211.db2.gz KMYSEWITRKEAFN-QGZVFWFLSA-N 1 2 328.416 1.545 40 0 EDABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2ccccn2)CCO3)nc[nH+]1 ZINC000248134266 442884282 /nfs/dbraw/zinc/88/42/82/442884282.db2.gz REXTXNAGJZRBQZ-CQSZACIVSA-N 1 2 341.415 1.754 40 0 EDABLO CN(C)c1cc(N2CC3(C2)C[C@H](Oc2ccccn2)CCO3)[nH+]cn1 ZINC000248134266 442884284 /nfs/dbraw/zinc/88/42/84/442884284.db2.gz REXTXNAGJZRBQZ-CQSZACIVSA-N 1 2 341.415 1.754 40 0 EDABLO CN([C@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000257343964 443156941 /nfs/dbraw/zinc/15/69/41/443156941.db2.gz ZVCZDQGBTDWOAW-ZDUSSCGKSA-N 1 2 335.433 1.105 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 ZINC000306132307 444286220 /nfs/dbraw/zinc/28/62/20/444286220.db2.gz LEOVXOWCJQGURJ-ZIAGYGMSSA-N 1 2 327.475 1.592 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 ZINC000306132307 444286221 /nfs/dbraw/zinc/28/62/21/444286221.db2.gz LEOVXOWCJQGURJ-ZIAGYGMSSA-N 1 2 327.475 1.592 40 0 EDABLO Cc1cccc(OC[C@]2(O)COCC[N@H+](Cc3cnccn3)C2)c1 ZINC000585269372 448716904 /nfs/dbraw/zinc/71/69/04/448716904.db2.gz QOZAPKPBDILWTF-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1cccc(OC[C@]2(O)COCC[N@@H+](Cc3cnccn3)C2)c1 ZINC000585269372 448716905 /nfs/dbraw/zinc/71/69/05/448716905.db2.gz QOZAPKPBDILWTF-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1cc(C[N@@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)no1 ZINC000585269550 448718082 /nfs/dbraw/zinc/71/80/82/448718082.db2.gz YPGSBDORKYWNRR-SFHVURJKSA-N 1 2 332.400 1.934 40 0 EDABLO Cc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(C)cc3)C2)no1 ZINC000585269550 448718085 /nfs/dbraw/zinc/71/80/85/448718085.db2.gz YPGSBDORKYWNRR-SFHVURJKSA-N 1 2 332.400 1.934 40 0 EDABLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585292276 448736146 /nfs/dbraw/zinc/73/61/46/448736146.db2.gz ZSCKYFWPHZMEHS-AXHCFYFUSA-N 1 2 344.455 1.327 40 0 EDABLO CNc1cccc(C[C@H]2COCCN(C(=O)c3cccnc3)C2)[nH+]1 ZINC000072388173 290842151 /nfs/dbraw/zinc/84/21/51/290842151.db2.gz NHLGKLWZUHKPDF-CQSZACIVSA-N 1 2 326.400 1.850 40 0 EDABLO COCC(=O)N1CCC[C@@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257243208 244250465 /nfs/dbraw/zinc/25/04/65/244250465.db2.gz IFWSROFJTYBFLD-AWEZNQCLSA-N 1 2 343.431 1.613 40 0 EDABLO Cc1nc(CC(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257314471 244500122 /nfs/dbraw/zinc/50/01/22/244500122.db2.gz UXDIPXAGFNCPSO-MRXNPFEDSA-N 1 2 332.429 1.147 40 0 EDABLO C[C@@H](CNC(=O)c1ccccc1Cn1cccn1)[NH+]1CCOCC1 ZINC000019657699 212053953 /nfs/dbraw/zinc/05/39/53/212053953.db2.gz XDRVMHLJRUVTLI-HNNXBMFYSA-N 1 2 328.416 1.382 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@H](COCc2cccnc2)C1 ZINC000096188101 218654732 /nfs/dbraw/zinc/65/47/32/218654732.db2.gz ZQNUIKLIDGWEQC-HNNXBMFYSA-N 1 2 341.415 1.799 40 0 EDABLO O=C(NCCc1c[nH+]c[nH]1)C(=Cc1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004902935 210317017 /nfs/dbraw/zinc/31/70/17/210317017.db2.gz HLMAVHNIQREHGF-BOPFTXTBSA-N 1 2 349.394 1.868 40 0 EDABLO O=C(NCCc1c[nH]c[nH+]1)C(=Cc1ccc[nH]1)NC(=O)c1ccccc1 ZINC000004902935 210317020 /nfs/dbraw/zinc/31/70/20/210317020.db2.gz HLMAVHNIQREHGF-BOPFTXTBSA-N 1 2 349.394 1.868 40 0 EDABLO CCN1C[NH+]=C2N[C@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638616 441266184 /nfs/dbraw/zinc/26/61/84/441266184.db2.gz HNTTYLZZILYORR-INIZCTEOSA-N 1 2 333.399 1.994 40 0 EDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051330 441999165 /nfs/dbraw/zinc/99/91/65/441999165.db2.gz MGMULBWYBWJBOI-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051330 441999169 /nfs/dbraw/zinc/99/91/69/441999169.db2.gz MGMULBWYBWJBOI-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2nccs2)C1 ZINC000096064948 442012271 /nfs/dbraw/zinc/01/22/71/442012271.db2.gz ORIPREDCXKWPBN-JHJVBQTASA-N 1 2 345.428 1.551 40 0 EDABLO O=C(Nc1cnccn1)[C@@H]1C[C@H]2OCC[C@H]2[N@@H+](Cc2nccs2)C1 ZINC000096064948 442012276 /nfs/dbraw/zinc/01/22/76/442012276.db2.gz ORIPREDCXKWPBN-JHJVBQTASA-N 1 2 345.428 1.551 40 0 EDABLO O=C(c1cscn1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096067054 442014713 /nfs/dbraw/zinc/01/47/13/442014713.db2.gz WODQDMGFDWYWMZ-GFCCVEGCSA-N 1 2 328.401 1.509 40 0 EDABLO O=C(C1CC=CC1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096067905 442015239 /nfs/dbraw/zinc/01/52/39/442015239.db2.gz MNARDCMJLXQBIT-UHFFFAOYSA-N 1 2 330.432 1.066 40 0 EDABLO Cc1ccc(CN2Cc3[nH]nc(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187525 442064292 /nfs/dbraw/zinc/06/42/92/442064292.db2.gz NTYYQIFKNSQSFP-UHFFFAOYSA-N 1 2 329.404 1.215 40 0 EDABLO Cc1ccc(CN2Cc3n[nH]c(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187525 442064298 /nfs/dbraw/zinc/06/42/98/442064298.db2.gz NTYYQIFKNSQSFP-UHFFFAOYSA-N 1 2 329.404 1.215 40 0 EDABLO Cc1cncc(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)c1 ZINC000096188639 442065217 /nfs/dbraw/zinc/06/52/17/442065217.db2.gz DXDJAQHMDDDXJH-CQSZACIVSA-N 1 2 337.387 1.150 40 0 EDABLO Fc1cnc(N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096202249 442078222 /nfs/dbraw/zinc/07/82/22/442078222.db2.gz LIKORPAHMSLLTA-QGZVFWFLSA-N 1 2 329.379 1.744 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3cncnc3)CCN2C)c1 ZINC000257304719 443139556 /nfs/dbraw/zinc/13/95/56/443139556.db2.gz SMVYPLQJSIKTNN-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3cncnc3)CCN2C)c1 ZINC000257304719 443139557 /nfs/dbraw/zinc/13/95/57/443139557.db2.gz SMVYPLQJSIKTNN-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cncnc3)CC[N@@H+]2C)c1 ZINC000257304719 443139560 /nfs/dbraw/zinc/13/95/60/443139560.db2.gz SMVYPLQJSIKTNN-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cncnc3)CC[N@H+]2C)c1 ZINC000257304719 443139561 /nfs/dbraw/zinc/13/95/61/443139561.db2.gz SMVYPLQJSIKTNN-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257304542 443139848 /nfs/dbraw/zinc/13/98/48/443139848.db2.gz SMCVCLRGENACQV-NSHDSACASA-N 1 2 340.474 1.724 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC000257304542 443139849 /nfs/dbraw/zinc/13/98/49/443139849.db2.gz SMCVCLRGENACQV-NSHDSACASA-N 1 2 340.474 1.724 40 0 EDABLO C[N@H+](CC(=O)N1CCC[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257321254 443145811 /nfs/dbraw/zinc/14/58/11/443145811.db2.gz WAWBWLSASAONIP-INIZCTEOSA-N 1 2 325.416 1.710 40 0 EDABLO C[N@@H+](CC(=O)N1CCC[C@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257321254 443145813 /nfs/dbraw/zinc/14/58/13/443145813.db2.gz WAWBWLSASAONIP-INIZCTEOSA-N 1 2 325.416 1.710 40 0 EDABLO CCCNC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1ccc(OC)cc1 ZINC000225401659 443100939 /nfs/dbraw/zinc/10/09/39/443100939.db2.gz RDPCXAQAYLSLGI-JKSUJKDBSA-N 1 2 333.432 1.473 40 0 biogenic,in-vitro EDABLO CCCNC(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1ccc(OC)cc1 ZINC000225401659 443100942 /nfs/dbraw/zinc/10/09/42/443100942.db2.gz RDPCXAQAYLSLGI-JKSUJKDBSA-N 1 2 333.432 1.473 40 0 biogenic,in-vitro EDABLO CC(=O)NCc1cnc(CC2CCN(c3cc[nH+]c(C)n3)CC2)cn1 ZINC000257324755 443147702 /nfs/dbraw/zinc/14/77/02/443147702.db2.gz WQANIXGRGIQVTI-UHFFFAOYSA-N 1 2 340.431 1.670 40 0 EDABLO Cc1c(C[N@@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257333086 443151151 /nfs/dbraw/zinc/15/11/51/443151151.db2.gz YABWABYGGQVZQT-GFCCVEGCSA-N 1 2 337.449 1.235 40 0 EDABLO Cc1c(C[N@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cnn1C ZINC000257333086 443151156 /nfs/dbraw/zinc/15/11/56/443151156.db2.gz YABWABYGGQVZQT-GFCCVEGCSA-N 1 2 337.449 1.235 40 0 EDABLO CS(=O)(=O)CC[C@H]([NH3+])c1nc(C2(n3cccc3)CCCC2)no1 ZINC000409438060 447684657 /nfs/dbraw/zinc/68/46/57/447684657.db2.gz BXYYRYNEZRFTSV-LBPRGKRZSA-N 1 2 338.433 1.623 40 0 EDABLO Cc1ccc(OC[C@]2(O)COCC[N@H+](Cc3cnccn3)C2)cc1 ZINC000585269465 448717860 /nfs/dbraw/zinc/71/78/60/448717860.db2.gz VMBVRKVPRLYCGR-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ccc(OC[C@]2(O)COCC[N@@H+](Cc3cnccn3)C2)cc1 ZINC000585269465 448717864 /nfs/dbraw/zinc/71/78/64/448717864.db2.gz VMBVRKVPRLYCGR-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO CCn1c[nH+]cc1CN1CCO[C@](CO)(Cc2cccc(F)c2)C1 ZINC000585275413 448719497 /nfs/dbraw/zinc/71/94/97/448719497.db2.gz DOHOCFBFVVZIPR-GOSISDBHSA-N 1 2 333.407 1.848 40 0 EDABLO O=C(C[N@H+]1CC[C@](O)(COc2ccccc2)C1)Nc1ccccn1 ZINC000585275509 448719753 /nfs/dbraw/zinc/71/97/53/448719753.db2.gz BXVOPQFZKMOAOA-GOSISDBHSA-N 1 2 327.384 1.536 40 0 EDABLO O=C(C[N@@H+]1CC[C@](O)(COc2ccccc2)C1)Nc1ccccn1 ZINC000585275509 448719756 /nfs/dbraw/zinc/71/97/56/448719756.db2.gz BXVOPQFZKMOAOA-GOSISDBHSA-N 1 2 327.384 1.536 40 0 EDABLO Cc1noc(C)c1CN1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1 ZINC000585096823 448680928 /nfs/dbraw/zinc/68/09/28/448680928.db2.gz DBOPVPDFYNCSOE-INIZCTEOSA-N 1 2 345.447 1.595 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@H]1CN1CCOCC1 ZINC000585096823 448680933 /nfs/dbraw/zinc/68/09/33/448680933.db2.gz DBOPVPDFYNCSOE-INIZCTEOSA-N 1 2 345.447 1.595 40 0 EDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@H]1CN1CCOCC1 ZINC000585096823 448680941 /nfs/dbraw/zinc/68/09/41/448680941.db2.gz DBOPVPDFYNCSOE-INIZCTEOSA-N 1 2 345.447 1.595 40 0 EDABLO COCC(=O)N1CCn2c(CCOc3cccnc3)c[nH+]c2[C@H]1C ZINC000585098659 448684449 /nfs/dbraw/zinc/68/44/49/448684449.db2.gz WKBPCENJRJJYGP-CYBMUJFWSA-N 1 2 330.388 1.449 40 0 EDABLO Cc1ccccc1C[C@@]1(CO)C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000585277695 448725354 /nfs/dbraw/zinc/72/53/54/448725354.db2.gz XCCAGUQHBWTXGT-IBGZPJMESA-N 1 2 327.428 1.899 40 0 EDABLO Cc1ccccc1C[C@@]1(CO)C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000585277695 448725357 /nfs/dbraw/zinc/72/53/57/448725357.db2.gz XCCAGUQHBWTXGT-IBGZPJMESA-N 1 2 327.428 1.899 40 0 EDABLO CO[C@@]1(COc2ccccc2C)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585277834 448725783 /nfs/dbraw/zinc/72/57/83/448725783.db2.gz PXSSWOCFOAYWIQ-SFHVURJKSA-N 1 2 329.400 1.957 40 0 EDABLO COCCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000211712830 486818080 /nfs/dbraw/zinc/81/80/80/486818080.db2.gz AAPQPAWMXRDPMT-GJZGRUSLSA-N 1 2 326.343 1.023 40 0 EDABLO COCCN1C(=O)CO[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000211712830 486818083 /nfs/dbraw/zinc/81/80/83/486818083.db2.gz AAPQPAWMXRDPMT-GJZGRUSLSA-N 1 2 326.343 1.023 40 0 EDABLO CC(C)(C)OC(=O)N1CC[NH2+][C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000072366089 216172166 /nfs/dbraw/zinc/17/21/66/216172166.db2.gz XQQFEUGCKVHVTO-CQSZACIVSA-N 1 2 340.445 1.972 40 0 EDABLO O=C1CO[C@@H]2CC[N@@H+](Cc3cccc(Br)c3)C[C@@H]2N1 ZINC000257226113 244202375 /nfs/dbraw/zinc/20/23/75/244202375.db2.gz FJESHTDNMRWVDS-QWHCGFSZSA-N 1 2 325.206 1.538 40 0 EDABLO O=C1CO[C@@H]2CC[N@H+](Cc3cccc(Br)c3)C[C@@H]2N1 ZINC000257226113 244202381 /nfs/dbraw/zinc/20/23/81/244202381.db2.gz FJESHTDNMRWVDS-QWHCGFSZSA-N 1 2 325.206 1.538 40 0 EDABLO C[C@@]1(c2nccc(C[NH+]3CCN(c4ncccn4)CC3)n2)CCCO1 ZINC000257218726 244177625 /nfs/dbraw/zinc/17/76/25/244177625.db2.gz DEFVWCZWQACPAA-SFHVURJKSA-N 1 2 340.431 1.614 40 0 EDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3c(=O)oc4ccccc43)C2)[nH+]1 ZINC000257220498 244181491 /nfs/dbraw/zinc/18/14/91/244181491.db2.gz DLBCOADGOADWLJ-CYBMUJFWSA-N 1 2 340.383 1.653 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccnc3)CC[N@@H+]2C)c1 ZINC000257248484 244262546 /nfs/dbraw/zinc/26/25/46/244262546.db2.gz JDVWMCSYCZALSC-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccnc3)CC[N@H+]2C)c1 ZINC000257248484 244262554 /nfs/dbraw/zinc/26/25/54/244262554.db2.gz JDVWMCSYCZALSC-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2c[nH]c(=O)[nH]c2=O)cc[nH+]1 ZINC000257249572 244266489 /nfs/dbraw/zinc/26/64/89/244266489.db2.gz JIYXQHVLOQLZOV-GFCCVEGCSA-N 1 2 329.360 1.326 40 0 EDABLO Cc1c[nH]c([C@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257254379 244277531 /nfs/dbraw/zinc/27/75/31/244277531.db2.gz KCUSLQUUOHIMAF-OAHLLOKOSA-N 1 2 329.404 1.145 40 0 EDABLO Cc1c[nH]c([C@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)n1 ZINC000257254379 244277538 /nfs/dbraw/zinc/27/75/38/244277538.db2.gz KCUSLQUUOHIMAF-OAHLLOKOSA-N 1 2 329.404 1.145 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257257564 244287482 /nfs/dbraw/zinc/28/74/82/244287482.db2.gz KQDXEUPXBBBURS-AWEZNQCLSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257257564 244287487 /nfs/dbraw/zinc/28/74/87/244287487.db2.gz KQDXEUPXBBBURS-AWEZNQCLSA-N 1 2 344.371 1.025 40 0 EDABLO CN(C(=O)c1cnn2cccnc12)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257263261 244353480 /nfs/dbraw/zinc/35/34/80/244353480.db2.gz LPAVQAQDNHJCPK-CQSZACIVSA-N 1 2 336.399 1.865 40 0 EDABLO Cc1nc2ccccc2nc1SCC(=O)N1CC[NH+](CCO)CC1 ZINC000019681469 212054838 /nfs/dbraw/zinc/05/48/38/212054838.db2.gz AEWPPVJXQCITNI-UHFFFAOYSA-N 1 2 346.456 1.167 40 0 EDABLO COCCN1CCN(C(=O)c2ccncc2F)Cc2ccc[nH+]c21 ZINC000096198863 285048264 /nfs/dbraw/zinc/04/82/64/285048264.db2.gz MPLSGUCVEZQVHQ-UHFFFAOYSA-N 1 2 330.363 1.725 40 0 EDABLO COC[C@H]1CN(C(=O)c2ccnnc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096060283 285461407 /nfs/dbraw/zinc/46/14/07/285461407.db2.gz LTNGAMPGDSWYGG-CQSZACIVSA-N 1 2 327.388 1.469 40 0 EDABLO Cc1cnccc1CCNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000163874116 226026454 /nfs/dbraw/zinc/02/64/54/226026454.db2.gz ZTXGRCOKOYHYAF-KRWDZBQOSA-N 1 2 332.448 1.439 40 0 EDABLO Fc1cnc(N2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096202250 303137222 /nfs/dbraw/zinc/13/72/22/303137222.db2.gz LIKORPAHMSLLTA-KRWDZBQOSA-N 1 2 329.379 1.744 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)no1 ZINC000096042834 441991570 /nfs/dbraw/zinc/99/15/70/441991570.db2.gz VHXXGJZLXKRWSE-IAOVAPTHSA-N 1 2 342.399 1.996 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)Nc4cccnc4)O[C@@H]3C2)no1 ZINC000096042834 441991576 /nfs/dbraw/zinc/99/15/76/441991576.db2.gz VHXXGJZLXKRWSE-IAOVAPTHSA-N 1 2 342.399 1.996 40 0 EDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1cccc(F)c1 ZINC000096041570 441988435 /nfs/dbraw/zinc/98/84/35/441988435.db2.gz RJZRAYVLASIOGA-LZLYRXPVSA-N 1 2 336.407 1.662 40 0 EDABLO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1cccc(F)c1 ZINC000096041570 441988440 /nfs/dbraw/zinc/98/84/40/441988440.db2.gz RJZRAYVLASIOGA-LZLYRXPVSA-N 1 2 336.407 1.662 40 0 EDABLO O=C(c1cccnc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159001 442049252 /nfs/dbraw/zinc/04/92/52/442049252.db2.gz ZQTMVWUHFVTJIP-UHFFFAOYSA-N 1 2 338.411 1.988 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4ncccc4F)C3)C2)cn1 ZINC000096226397 442094671 /nfs/dbraw/zinc/09/46/71/442094671.db2.gz QHNNAOLRGBVUPE-SFHVURJKSA-N 1 2 345.422 1.826 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4ncccc4F)C3)C2)cn1 ZINC000096226397 442094673 /nfs/dbraw/zinc/09/46/73/442094673.db2.gz QHNNAOLRGBVUPE-SFHVURJKSA-N 1 2 345.422 1.826 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096187869 442064684 /nfs/dbraw/zinc/06/46/84/442064684.db2.gz RLLJZSSDVXJQJU-CQSZACIVSA-N 1 2 348.472 1.681 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096187869 442064685 /nfs/dbraw/zinc/06/46/85/442064685.db2.gz RLLJZSSDVXJQJU-CQSZACIVSA-N 1 2 348.472 1.681 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@H+](Cc3cccnc3)C2)n1 ZINC000096188705 442067300 /nfs/dbraw/zinc/06/73/00/442067300.db2.gz POJSOVNGBKVNHN-QGZVFWFLSA-N 1 2 337.431 1.819 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3ccnc3C[N@@H+](Cc3cccnc3)C2)n1 ZINC000096188705 442067303 /nfs/dbraw/zinc/06/73/03/442067303.db2.gz POJSOVNGBKVNHN-QGZVFWFLSA-N 1 2 337.431 1.819 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096198562 442073408 /nfs/dbraw/zinc/07/34/08/442073408.db2.gz ZTXKVTPRTUNSLL-ZDUSSCGKSA-N 1 2 349.460 1.081 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096198562 442073415 /nfs/dbraw/zinc/07/34/15/442073415.db2.gz ZTXKVTPRTUNSLL-ZDUSSCGKSA-N 1 2 349.460 1.081 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096198561 442073553 /nfs/dbraw/zinc/07/35/53/442073553.db2.gz ZTXKVTPRTUNSLL-CYBMUJFWSA-N 1 2 349.460 1.081 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2nnn(C)c21 ZINC000096198561 442073558 /nfs/dbraw/zinc/07/35/58/442073558.db2.gz ZTXKVTPRTUNSLL-CYBMUJFWSA-N 1 2 349.460 1.081 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1ccccc1 ZINC000096200820 442075403 /nfs/dbraw/zinc/07/54/03/442075403.db2.gz DOZVTRFVCQQIOK-CVEARBPZSA-N 1 2 348.472 1.155 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@@H](NS(C)(=O)=O)[C@@H]1Cc1ccccc1 ZINC000096200820 442075412 /nfs/dbraw/zinc/07/54/12/442075412.db2.gz DOZVTRFVCQQIOK-CVEARBPZSA-N 1 2 348.472 1.155 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)no1 ZINC000096207959 442082295 /nfs/dbraw/zinc/08/22/95/442082295.db2.gz SKSDNYVWJUYOGP-MAUKXSAKSA-N 1 2 348.447 1.912 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)N2CCCC2)CCO3)no1 ZINC000096207959 442082299 /nfs/dbraw/zinc/08/22/99/442082299.db2.gz SKSDNYVWJUYOGP-MAUKXSAKSA-N 1 2 348.447 1.912 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)cs1 ZINC000096249467 442102358 /nfs/dbraw/zinc/10/23/58/442102358.db2.gz NXLSTNJOKLYEQV-ZIAGYGMSSA-N 1 2 345.490 1.076 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@H]3OCCN(S(C)(=O)=O)[C@@H]3CC2)cs1 ZINC000096249467 442102363 /nfs/dbraw/zinc/10/23/63/442102363.db2.gz NXLSTNJOKLYEQV-ZIAGYGMSSA-N 1 2 345.490 1.076 40 0 EDABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@H](CN2CCCC2=O)C1 ZINC000247839294 442869745 /nfs/dbraw/zinc/86/97/45/442869745.db2.gz KJJWIAUMGVAMIU-INIZCTEOSA-N 1 2 341.415 1.466 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)c2cn(C)c3ccccc23)Cc2c[nH+]cn21 ZINC000248086826 442880244 /nfs/dbraw/zinc/88/02/44/442880244.db2.gz SREVQJIVPLRLEF-MRXNPFEDSA-N 1 2 337.383 1.318 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[N@@H+]1C ZINC000257296493 443135738 /nfs/dbraw/zinc/13/57/38/443135738.db2.gz RDCNPCGOXFXMKR-CYBMUJFWSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2c[nH]c(=O)[nH]c2=O)CC[N@H+]1C ZINC000257296493 443135741 /nfs/dbraw/zinc/13/57/41/443135741.db2.gz RDCNPCGOXFXMKR-CYBMUJFWSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1Cc1[nH+]ccn1C ZINC000257305467 443139270 /nfs/dbraw/zinc/13/92/70/443139270.db2.gz SQEALPGPQBDLRG-INIZCTEOSA-N 1 2 328.416 1.834 40 0 EDABLO CCn1nc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cc1C ZINC000257314700 443143494 /nfs/dbraw/zinc/14/34/94/443143494.db2.gz UYCSTDQHOXNDMY-GOSISDBHSA-N 1 2 343.431 1.320 40 0 EDABLO Cc1cccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257325256 443147970 /nfs/dbraw/zinc/14/79/70/443147970.db2.gz WSDFELISQIEQHU-IBGZPJMESA-N 1 2 340.427 1.889 40 0 EDABLO Cc1ccnc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257328970 443150233 /nfs/dbraw/zinc/15/02/33/443150233.db2.gz XHVHEQWTKYZFTH-QGZVFWFLSA-N 1 2 329.400 1.730 40 0 EDABLO Cc1ccnc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)n1 ZINC000257328970 443150236 /nfs/dbraw/zinc/15/02/36/443150236.db2.gz XHVHEQWTKYZFTH-QGZVFWFLSA-N 1 2 329.400 1.730 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2cnccn2)CCO3)cn1 ZINC000306125798 444285030 /nfs/dbraw/zinc/28/50/30/444285030.db2.gz DCRJKSHIUUHYFR-HNNXBMFYSA-N 1 2 343.431 1.660 40 0 EDABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCCO)[nH+]cn1)C2 ZINC000329024538 444448560 /nfs/dbraw/zinc/44/85/60/444448560.db2.gz PATBUXCYZZJZQE-UHFFFAOYSA-N 1 2 328.416 1.671 40 0 EDABLO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCCO)nc[nH+]1)C2 ZINC000329024538 444448563 /nfs/dbraw/zinc/44/85/63/444448563.db2.gz PATBUXCYZZJZQE-UHFFFAOYSA-N 1 2 328.416 1.671 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](COc1ccccn1)N(S(=O)(=O)C1CC1)C2 ZINC000585095014 448676724 /nfs/dbraw/zinc/67/67/24/448676724.db2.gz ZQSSUDZAYLJFFC-LBPRGKRZSA-N 1 2 348.428 1.113 40 0 EDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000585096113 448680085 /nfs/dbraw/zinc/68/00/85/448680085.db2.gz RYQIZVQEZMYJTR-MRXNPFEDSA-N 1 2 341.415 1.524 40 0 EDABLO CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257257633 535336410 /nfs/dbraw/zinc/33/64/10/535336410.db2.gz KQMFKLGTCGCRNM-SFHVURJKSA-N 1 2 344.415 1.639 40 0 EDABLO CCc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257223373 536124178 /nfs/dbraw/zinc/12/41/78/536124178.db2.gz DXAWFXBALFKPTA-QGZVFWFLSA-N 1 2 330.388 1.393 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc[nH+]1 ZINC000257220363 536145351 /nfs/dbraw/zinc/14/53/51/536145351.db2.gz DKNCRBCSVFSNMF-CQSZACIVSA-N 1 2 349.460 1.449 40 0 EDABLO CNC(=O)[C@@]1(c2cnccn2)CCCN1Cc1[nH+]ccn1C(C)C ZINC000257275135 290593400 /nfs/dbraw/zinc/59/34/00/290593400.db2.gz NOBBQAHQQOKBIA-KRWDZBQOSA-N 1 2 328.420 1.491 40 0 EDABLO Cc1cccc(Nc2cc([C@H]3CCC[N@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000072361868 216168949 /nfs/dbraw/zinc/16/89/49/216168949.db2.gz NRWPUZHVFVDBKN-AWEZNQCLSA-N 1 2 340.431 1.897 40 0 EDABLO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000072361868 216168954 /nfs/dbraw/zinc/16/89/54/216168954.db2.gz NRWPUZHVFVDBKN-AWEZNQCLSA-N 1 2 340.431 1.897 40 0 EDABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@@H]2CCCCN(C)C2=O)CC1 ZINC000072372001 216177617 /nfs/dbraw/zinc/17/76/17/216177617.db2.gz GVPBCWGHMYOFKZ-AWEZNQCLSA-N 1 2 349.435 1.287 40 0 EDABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000257215684 244166768 /nfs/dbraw/zinc/16/67/68/244166768.db2.gz CRFBCSKVBVTQLC-GFCCVEGCSA-N 1 2 346.460 1.911 40 0 EDABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000257215684 244166778 /nfs/dbraw/zinc/16/67/78/244166778.db2.gz CRFBCSKVBVTQLC-GFCCVEGCSA-N 1 2 346.460 1.911 40 0 EDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2cccc(Br)c2)CCO1 ZINC000257219662 244177851 /nfs/dbraw/zinc/17/78/51/244177851.db2.gz DHPLVDAFPRQVJY-CQSZACIVSA-N 1 2 327.222 1.786 40 0 EDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2cccc(Br)c2)CCO1 ZINC000257219662 244177856 /nfs/dbraw/zinc/17/78/56/244177856.db2.gz DHPLVDAFPRQVJY-CQSZACIVSA-N 1 2 327.222 1.786 40 0 EDABLO CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257238767 244235187 /nfs/dbraw/zinc/23/51/87/244235187.db2.gz HMLCVLVHCAWLGS-LLVKDONJSA-N 1 2 329.360 1.024 40 0 EDABLO Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257249223 244266862 /nfs/dbraw/zinc/26/68/62/244266862.db2.gz JHIGHPYZOYEIPX-QGZVFWFLSA-N 1 2 346.456 1.868 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257266794 244364497 /nfs/dbraw/zinc/36/44/97/244364497.db2.gz MEOCJRYMQNLALW-GOSISDBHSA-N 1 2 342.447 1.732 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)C[C@@H](CCOc2ncccn2)CCO3)cn1 ZINC000306143649 257925236 /nfs/dbraw/zinc/92/52/36/257925236.db2.gz YHWYAZKGQBSGAU-HNNXBMFYSA-N 1 2 343.431 1.660 40 0 EDABLO CCS(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158854 280011374 /nfs/dbraw/zinc/01/13/74/280011374.db2.gz NQMFTDNDGZKZHC-UHFFFAOYSA-N 1 2 339.461 1.098 40 0 EDABLO CCS(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158854 280011376 /nfs/dbraw/zinc/01/13/76/280011376.db2.gz NQMFTDNDGZKZHC-UHFFFAOYSA-N 1 2 339.461 1.098 40 0 EDABLO C[NH+]1CCN(C(=O)c2nnc3sc(-c4ccccc4)nn32)CC1 ZINC000057354689 441110306 /nfs/dbraw/zinc/11/03/06/441110306.db2.gz UYXUPYKGKRZEKF-UHFFFAOYSA-N 1 2 328.401 1.240 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2nccn2C)C3)C1 ZINC000012087379 441126774 /nfs/dbraw/zinc/12/67/74/441126774.db2.gz SVDZZQKWMNMZDV-CYBMUJFWSA-N 1 2 342.447 1.298 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2nccn2C)C3)C1 ZINC000012087379 441126777 /nfs/dbraw/zinc/12/67/77/441126777.db2.gz SVDZZQKWMNMZDV-CYBMUJFWSA-N 1 2 342.447 1.298 40 0 EDABLO Cn1c(O)c(C2CC[NH+](Cc3ccccc3)CC2)c(=O)n(C)c1=O ZINC000103720858 441185217 /nfs/dbraw/zinc/18/52/17/441185217.db2.gz IFCYXLMPWJVASZ-UHFFFAOYSA-N 1 2 329.400 1.565 40 0 EDABLO O=C(Cc1ccsc1)N1C[C@H]([NH+]2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000107204067 441403690 /nfs/dbraw/zinc/40/36/90/441403690.db2.gz IAALJDAOVDYTOM-YQQAZPJKSA-N 1 2 336.457 1.381 40 0 EDABLO CN(C)C(=O)COC[C@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096044861 441994305 /nfs/dbraw/zinc/99/43/05/441994305.db2.gz WGBORVQOYPIEEA-CYBMUJFWSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096044861 441994311 /nfs/dbraw/zinc/99/43/11/441994311.db2.gz WGBORVQOYPIEEA-CYBMUJFWSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096044861 441994314 /nfs/dbraw/zinc/99/43/14/441994314.db2.gz WGBORVQOYPIEEA-CYBMUJFWSA-N 1 2 332.404 1.217 40 0 EDABLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(Cc1ccco1)C2 ZINC000096059595 442008224 /nfs/dbraw/zinc/00/82/24/442008224.db2.gz HCEJXEAIXIGPCC-UHFFFAOYSA-N 1 2 325.372 1.487 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccncc2)C1 ZINC000096066840 442014499 /nfs/dbraw/zinc/01/44/99/442014499.db2.gz DRMISEZWZDTSMZ-INIZCTEOSA-N 1 2 343.431 1.015 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccncc2)C1 ZINC000096066840 442014506 /nfs/dbraw/zinc/01/45/06/442014506.db2.gz DRMISEZWZDTSMZ-INIZCTEOSA-N 1 2 343.431 1.015 40 0 EDABLO O=C(c1cccnc1)N1CCO[C@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226377 442095295 /nfs/dbraw/zinc/09/52/95/442095295.db2.gz NIMZKOLPGVUMNF-IBGZPJMESA-N 1 2 338.411 1.988 40 0 EDABLO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@H+](Cc1ccsc1)C2 ZINC000248027990 442878008 /nfs/dbraw/zinc/87/80/08/442878008.db2.gz KEJPPPXFBJWSRC-AWEZNQCLSA-N 1 2 328.441 1.979 40 0 EDABLO Cn1cnc2c1[C@@H](C(=O)N1CC=CC1)C[N@@H+](Cc1ccsc1)C2 ZINC000248027990 442878012 /nfs/dbraw/zinc/87/80/12/442878012.db2.gz KEJPPPXFBJWSRC-AWEZNQCLSA-N 1 2 328.441 1.979 40 0 EDABLO Cc1nc([C@H]2COCCN2C(=O)CCCn2cc[nH+]c2)cc(=O)[nH]1 ZINC000257228608 443125901 /nfs/dbraw/zinc/12/59/01/443125901.db2.gz FUOAMTVYFBNICA-CQSZACIVSA-N 1 2 331.376 1.067 40 0 EDABLO Cc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257281858 443129281 /nfs/dbraw/zinc/12/92/81/443129281.db2.gz ORGRWBZRKUKLGI-QGZVFWFLSA-N 1 2 330.388 1.448 40 0 EDABLO OCCCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329065047 444462299 /nfs/dbraw/zinc/46/22/99/444462299.db2.gz XNWBGRIYGVQYNB-UHFFFAOYSA-N 1 2 349.438 1.831 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000328973213 444429889 /nfs/dbraw/zinc/42/98/89/444429889.db2.gz FAPMANWKKOOQTR-CQSZACIVSA-N 1 2 335.411 1.787 40 0 EDABLO OCCNc1nc(NCc2ccccc2F)cc(-c2cccnc2)[nH+]1 ZINC000328986464 444433981 /nfs/dbraw/zinc/43/39/81/444433981.db2.gz HYXCLWRCQUJXES-UHFFFAOYSA-N 1 2 339.374 1.538 40 0 EDABLO O=C(N[C@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000332777002 444549120 /nfs/dbraw/zinc/54/91/20/444549120.db2.gz PJUAYTVIHRNVBN-STQMWFEESA-N 1 2 345.834 1.889 40 0 EDABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@H+](Cc1ccccc1)C2 ZINC000585110824 448690783 /nfs/dbraw/zinc/69/07/83/448690783.db2.gz LDJFUEYZQRXFIY-CQSZACIVSA-N 1 2 346.381 1.997 40 0 EDABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@@H+](Cc1ccccc1)C2 ZINC000585110824 448690789 /nfs/dbraw/zinc/69/07/89/448690789.db2.gz LDJFUEYZQRXFIY-CQSZACIVSA-N 1 2 346.381 1.997 40 0 EDABLO CCS(=O)(=O)NC[C@@H]1C[N@H+](CCc2ccccc2)Cc2ccnn21 ZINC000585112309 448692319 /nfs/dbraw/zinc/69/23/19/448692319.db2.gz OIIJGXZBHPCUSF-QGZVFWFLSA-N 1 2 348.472 1.422 40 0 EDABLO CCS(=O)(=O)NC[C@@H]1C[N@@H+](CCc2ccccc2)Cc2ccnn21 ZINC000585112309 448692323 /nfs/dbraw/zinc/69/23/23/448692323.db2.gz OIIJGXZBHPCUSF-QGZVFWFLSA-N 1 2 348.472 1.422 40 0 EDABLO Cc1cccc(C[C@@]2(CO)CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000585275610 448719007 /nfs/dbraw/zinc/71/90/07/448719007.db2.gz HHLBLMCKKVAEJU-SFHVURJKSA-N 1 2 329.400 1.093 40 0 EDABLO CO[C@]1(COc2ccccc2C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000585275780 448720756 /nfs/dbraw/zinc/72/07/56/448720756.db2.gz FLDFVLGJZSQBAF-GOSISDBHSA-N 1 2 329.400 1.888 40 0 EDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2ccccn2)[nH]n1 ZINC000585094918 448678038 /nfs/dbraw/zinc/67/80/38/448678038.db2.gz UHQZTXCTIIGPLQ-OAHLLOKOSA-N 1 2 338.415 1.853 40 0 EDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2COc2ccccn2)n[nH]1 ZINC000585094918 448678045 /nfs/dbraw/zinc/67/80/45/448678045.db2.gz UHQZTXCTIIGPLQ-OAHLLOKOSA-N 1 2 338.415 1.853 40 0 EDABLO Cc1cccc(OC[C@@]2(O)COCCN(Cc3[nH+]ccn3C)C2)c1 ZINC000585268855 485893548 /nfs/dbraw/zinc/89/35/48/485893548.db2.gz BLCSLFAZGWIOKZ-SFHVURJKSA-N 1 2 331.416 1.371 40 0 EDABLO CC(C)c1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257211928 535365951 /nfs/dbraw/zinc/36/59/51/535365951.db2.gz CBCYWTQKWREZNV-GOSISDBHSA-N 1 2 344.415 1.954 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3sccc3C)C2)C[N@@H+]1CC1CC1 ZINC000253598659 536369155 /nfs/dbraw/zinc/36/91/55/536369155.db2.gz FMDNNVTUPKXJNB-HNNXBMFYSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3sccc3C)C2)C[N@H+]1CC1CC1 ZINC000253598659 536369157 /nfs/dbraw/zinc/36/91/57/536369157.db2.gz FMDNNVTUPKXJNB-HNNXBMFYSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@@H]1COC2(C[NH+](Cc3sccc3C)C2)CN1CC1CC1 ZINC000253598659 536369159 /nfs/dbraw/zinc/36/91/59/536369159.db2.gz FMDNNVTUPKXJNB-HNNXBMFYSA-N 1 2 349.500 1.468 40 0 EDABLO COc1cccc2[nH]c(C(=O)N3CC[N@H+](C(C)C)[C@@H](C(N)=O)C3)cc21 ZINC000257235754 536924100 /nfs/dbraw/zinc/92/41/00/536924100.db2.gz GZGSWHQATDUNLK-OAHLLOKOSA-N 1 2 344.415 1.197 40 0 EDABLO COc1cccc2[nH]c(C(=O)N3CC[N@@H+](C(C)C)[C@@H](C(N)=O)C3)cc21 ZINC000257235754 536924106 /nfs/dbraw/zinc/92/41/06/536924106.db2.gz GZGSWHQATDUNLK-OAHLLOKOSA-N 1 2 344.415 1.197 40 0 EDABLO CCc1nnc(Nc2cc([C@@H]3CCCN3C(=O)C[NH3+])nc(C)n2)s1 ZINC000072360899 216167727 /nfs/dbraw/zinc/16/77/27/216167727.db2.gz NJEOKVBLXZCNRR-NSHDSACASA-N 1 2 347.448 1.565 40 0 EDABLO Cc1cccnc1Nc1cc([C@H]2CC[N@H+](CC(N)=O)C2)nc(C)n1 ZINC000072383583 216184300 /nfs/dbraw/zinc/18/43/00/216184300.db2.gz XYDWEMYRZVWGQW-ZDUSSCGKSA-N 1 2 326.404 1.507 40 0 EDABLO Cc1cccnc1Nc1cc([C@H]2CC[N@@H+](CC(N)=O)C2)nc(C)n1 ZINC000072383583 216184302 /nfs/dbraw/zinc/18/43/02/216184302.db2.gz XYDWEMYRZVWGQW-ZDUSSCGKSA-N 1 2 326.404 1.507 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)Cn2nnc3ccccc32)[nH+]1 ZINC000257238795 244235462 /nfs/dbraw/zinc/23/54/62/244235462.db2.gz HMODXVIYQOBGDB-CQSZACIVSA-N 1 2 326.360 1.063 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cc(C)on3)CC[N@@H+]2C)c1 ZINC000257260959 244347658 /nfs/dbraw/zinc/34/76/58/244347658.db2.gz LFFBFVDEXVNXPK-KRWDZBQOSA-N 1 2 328.416 1.831 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cc(C)on3)CC[N@H+]2C)c1 ZINC000257260959 244347661 /nfs/dbraw/zinc/34/76/61/244347661.db2.gz LFFBFVDEXVNXPK-KRWDZBQOSA-N 1 2 328.416 1.831 40 0 EDABLO Cc1cc(C)n(CCCC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)n1 ZINC000257304467 244472599 /nfs/dbraw/zinc/47/25/99/244472599.db2.gz SLUPQODYOJWNFN-JFIYKMOQSA-N 1 2 345.447 1.748 40 0 EDABLO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCOCC3)ccc2N1C(=O)C1CC1 ZINC000019497837 212032607 /nfs/dbraw/zinc/03/26/07/212032607.db2.gz JYLDVVWUAVSJSG-UGSOOPFHSA-N 1 2 330.428 1.740 40 0 EDABLO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000012142558 441127594 /nfs/dbraw/zinc/12/75/94/441127594.db2.gz KKZHNRXULPXNNK-WMLDXEAASA-N 1 2 340.431 1.309 40 0 EDABLO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)cn1 ZINC000012142558 441127596 /nfs/dbraw/zinc/12/75/96/441127596.db2.gz KKZHNRXULPXNNK-WMLDXEAASA-N 1 2 340.431 1.309 40 0 EDABLO Cc1noc(C)c1CN1CCn2c(Cn3cncn3)c[nH+]c2[C@H]1C ZINC000096070164 442017166 /nfs/dbraw/zinc/01/71/66/442017166.db2.gz FGHUQKVZYJRHAL-GFCCVEGCSA-N 1 2 327.392 1.705 40 0 EDABLO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096083155 442024925 /nfs/dbraw/zinc/02/49/25/442024925.db2.gz FIBJRPDSXMGPGN-NFAWXSAZSA-N 1 2 346.456 1.501 40 0 EDABLO Cn1cccc1C(=O)NC[C@H]1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2O1 ZINC000096083155 442024929 /nfs/dbraw/zinc/02/49/29/442024929.db2.gz FIBJRPDSXMGPGN-NFAWXSAZSA-N 1 2 346.456 1.501 40 0 EDABLO O=C(c1cccnc1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188446 442065947 /nfs/dbraw/zinc/06/59/47/442065947.db2.gz UNLSOPXVAYSKAR-CQSZACIVSA-N 1 2 339.399 1.173 40 0 EDABLO O=C(c1ccccn1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202270 442077705 /nfs/dbraw/zinc/07/77/05/442077705.db2.gz YZVRXQQXMAEOGM-LJQANCHMSA-N 1 2 338.411 1.846 40 0 EDABLO O=C(c1ccno1)N1CC[C@H]2OCC[N@H+](Cc3cccnc3)[C@H]2CC1 ZINC000096249388 442103618 /nfs/dbraw/zinc/10/36/18/442103618.db2.gz ZWELSOUNLGQTRH-JKSUJKDBSA-N 1 2 342.399 1.575 40 0 EDABLO O=C(c1ccno1)N1CC[C@H]2OCC[N@@H+](Cc3cccnc3)[C@H]2CC1 ZINC000096249388 442103619 /nfs/dbraw/zinc/10/36/19/442103619.db2.gz ZWELSOUNLGQTRH-JKSUJKDBSA-N 1 2 342.399 1.575 40 0 EDABLO O=C(NCC1CC1)[C@H]1Cn2c[nH+]cc2CN(C(=O)NC2CCCC2)C1 ZINC000096260691 442108641 /nfs/dbraw/zinc/10/86/41/442108641.db2.gz WRFRAIJKKSTTDM-CQSZACIVSA-N 1 2 345.447 1.493 40 0 EDABLO CN(C)C(=O)C[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000248037554 442878440 /nfs/dbraw/zinc/87/84/40/442878440.db2.gz VBWNRALJOVDDBH-GOSISDBHSA-N 1 2 342.443 1.935 40 0 EDABLO CN(C)C(=O)C[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000248037554 442878442 /nfs/dbraw/zinc/87/84/42/442878442.db2.gz VBWNRALJOVDDBH-GOSISDBHSA-N 1 2 342.443 1.935 40 0 EDABLO Cc1csc(CN2Cc3c[nH+]cn3[C@H](COCC(=O)N(C)C)C2)n1 ZINC000248037450 442878542 /nfs/dbraw/zinc/87/85/42/442878542.db2.gz UYVPPSQWAMSMAJ-AWEZNQCLSA-N 1 2 349.460 1.310 40 0 EDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)nc[nH+]1 ZINC000248111220 442882046 /nfs/dbraw/zinc/88/20/46/442882046.db2.gz KEJFQCPEDPWYPS-AWEZNQCLSA-N 1 2 345.447 1.150 40 0 EDABLO CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCN2CCCC2=O)[nH+]cn1 ZINC000248111220 442882050 /nfs/dbraw/zinc/88/20/50/442882050.db2.gz KEJFQCPEDPWYPS-AWEZNQCLSA-N 1 2 345.447 1.150 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@@H+]2C(C)(C)C1 ZINC000253407377 443058136 /nfs/dbraw/zinc/05/81/36/443058136.db2.gz WFADBCIQHYJDGP-SFHVURJKSA-N 1 2 343.471 1.773 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)CCc3ccccc3)CC[N@H+]2C(C)(C)C1 ZINC000253407377 443058141 /nfs/dbraw/zinc/05/81/41/443058141.db2.gz WFADBCIQHYJDGP-SFHVURJKSA-N 1 2 343.471 1.773 40 0 biogenic,in-vitro EDABLO CC[NH+]1CCN(S(=O)(=O)c2cc3c(cc2OC)CCCC3)CC1 ZINC000224791160 443098923 /nfs/dbraw/zinc/09/89/23/443098923.db2.gz IDBSSTRFUFFPEE-UHFFFAOYSA-N 1 2 338.473 1.900 40 0 EDABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)cc[nH+]1 ZINC000257287752 443132431 /nfs/dbraw/zinc/13/24/31/443132431.db2.gz PRJFGGDIKKEFBU-CYBMUJFWSA-N 1 2 335.433 1.425 40 0 EDABLO Cc1cc(CC2CCN(C(=O)Cn3cccnc3=O)CC2)cc[nH+]1 ZINC000257302454 443138708 /nfs/dbraw/zinc/13/87/08/443138708.db2.gz SCZOBVBEIDYDFU-UHFFFAOYSA-N 1 2 326.400 1.428 40 0 EDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1Cc1ccc(OC)cc1 ZINC000257311088 443142334 /nfs/dbraw/zinc/14/23/34/443142334.db2.gz UHXAMSCJOHEZGF-GOSISDBHSA-N 1 2 326.400 1.723 40 0 EDABLO CNC(=O)[C@]1(c2cnccn2)CCC[N@H+]1Cc1ccc(OC)cc1 ZINC000257311088 443142338 /nfs/dbraw/zinc/14/23/38/443142338.db2.gz UHXAMSCJOHEZGF-GOSISDBHSA-N 1 2 326.400 1.723 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC[N@@H+]2C)cc1 ZINC000257318864 443145356 /nfs/dbraw/zinc/14/53/56/443145356.db2.gz VPSFZVKYXRRCQO-QGZVFWFLSA-N 1 2 341.411 1.523 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3ccc(=O)n(C)c3)CC[N@H+]2C)cc1 ZINC000257318864 443145358 /nfs/dbraw/zinc/14/53/58/443145358.db2.gz VPSFZVKYXRRCQO-QGZVFWFLSA-N 1 2 341.411 1.523 40 0 EDABLO COc1ccccc1C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC000257282326 443128884 /nfs/dbraw/zinc/12/88/84/443128884.db2.gz OTHQUTVMYSEBNL-TZMCWYRMSA-N 1 2 333.413 1.127 40 0 EDABLO COc1ccccc1C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cscn2)C1 ZINC000257282326 443128889 /nfs/dbraw/zinc/12/88/89/443128889.db2.gz OTHQUTVMYSEBNL-TZMCWYRMSA-N 1 2 333.413 1.127 40 0 EDABLO Cc1[nH+]cc(-c2cncc(CC3CCN(S(C)(=O)=O)CC3)n2)n1C ZINC000257339086 443154033 /nfs/dbraw/zinc/15/40/33/443154033.db2.gz ZADLWMNTRCEMJN-UHFFFAOYSA-N 1 2 349.460 1.400 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc[nH+]1 ZINC000257343189 443155728 /nfs/dbraw/zinc/15/57/28/443155728.db2.gz ZRVMMSZYUQUGAQ-GFCCVEGCSA-N 1 2 343.387 1.369 40 0 EDABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccncc1)CCO2 ZINC000306133730 444286138 /nfs/dbraw/zinc/28/61/38/444286138.db2.gz MTWZZNPIMRSIJU-WMZOPIPTSA-N 1 2 333.432 1.358 40 0 EDABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccncc1)CCO2 ZINC000306133730 444286140 /nfs/dbraw/zinc/28/61/40/444286140.db2.gz MTWZZNPIMRSIJU-WMZOPIPTSA-N 1 2 333.432 1.358 40 0 EDABLO Cc1cc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)on1 ZINC000306134087 444286743 /nfs/dbraw/zinc/28/67/43/444286743.db2.gz NDECVPFUOKIKDA-GZBFAFLISA-N 1 2 328.372 1.577 40 0 EDABLO Cn1cc(C[N@H+]2C[C@@H]3[C@H](C2)Oc2cc(F)ccc2C(=O)N3C)cn1 ZINC000514288688 448160916 /nfs/dbraw/zinc/16/09/16/448160916.db2.gz SGNFFMVOTFAGKF-ZBFHGGJFSA-N 1 2 330.363 1.277 40 0 biogenic,in-vitro EDABLO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)Oc2cc(F)ccc2C(=O)N3C)cn1 ZINC000514288688 448160921 /nfs/dbraw/zinc/16/09/21/448160921.db2.gz SGNFFMVOTFAGKF-ZBFHGGJFSA-N 1 2 330.363 1.277 40 0 biogenic,in-vitro EDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000585096180 448679958 /nfs/dbraw/zinc/67/99/58/448679958.db2.gz XCOLDAPUYOPJMJ-OAHLLOKOSA-N 1 2 346.456 1.843 40 0 EDABLO CN(C)c1cccc(C[C@@H]2COCCN(C(=O)c3cc[nH]n3)C2)[nH+]1 ZINC000072388166 216187769 /nfs/dbraw/zinc/18/77/69/216187769.db2.gz ZMQXBYUJXKSIBN-ZDUSSCGKSA-N 1 2 329.404 1.202 40 0 EDABLO C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591870 244029728 /nfs/dbraw/zinc/02/97/28/244029728.db2.gz RARCTNOWGHNUOX-ZDUSSCGKSA-N 1 2 332.448 1.507 40 0 EDABLO C[C@H]1c2nc(CC(=O)NCC3CC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591870 244029734 /nfs/dbraw/zinc/02/97/34/244029734.db2.gz RARCTNOWGHNUOX-ZDUSSCGKSA-N 1 2 332.448 1.507 40 0 EDABLO CCOc1ccc(C[N@@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO ZINC000257236541 244228848 /nfs/dbraw/zinc/22/88/48/244228848.db2.gz HCPZAURBCKNQSO-GOSISDBHSA-N 1 2 336.432 1.257 40 0 EDABLO CCOc1ccc(C[N@H+]2CCO[C@@](C)(C(=O)N(C)C)C2)cc1CO ZINC000257236541 244228853 /nfs/dbraw/zinc/22/88/53/244228853.db2.gz HCPZAURBCKNQSO-GOSISDBHSA-N 1 2 336.432 1.257 40 0 EDABLO Cc1c[nH]c([C@@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH+]1 ZINC000257275739 244390710 /nfs/dbraw/zinc/39/07/10/244390710.db2.gz NQRLGOGDSTYILE-ZDUSSCGKSA-N 1 2 326.356 1.990 40 0 EDABLO OCCCNc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329022642 257904708 /nfs/dbraw/zinc/90/47/08/257904708.db2.gz OOJFVHFZYPVANL-UHFFFAOYSA-N 1 2 335.411 1.789 40 0 EDABLO CNC(=O)C[NH+]1CC2(C1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257232128 290422636 /nfs/dbraw/zinc/42/26/36/290422636.db2.gz GJNKFCWAIHCRSP-WMLDXEAASA-N 1 2 330.428 1.983 40 0 EDABLO COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000017071849 441236839 /nfs/dbraw/zinc/23/68/39/441236839.db2.gz CPVSLFKZYCHWKG-CQSZACIVSA-N 1 2 344.415 1.673 40 0 EDABLO Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000019766949 441260202 /nfs/dbraw/zinc/26/02/02/441260202.db2.gz QMXUBBZZXLNFKB-HNNXBMFYSA-N 1 2 345.447 1.292 40 0 EDABLO Cc1ncc(C(=O)NC2CC2)c([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000019766949 441260206 /nfs/dbraw/zinc/26/02/06/441260206.db2.gz QMXUBBZZXLNFKB-HNNXBMFYSA-N 1 2 345.447 1.292 40 0 EDABLO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1)N1CCOCC1 ZINC000096057492 442004985 /nfs/dbraw/zinc/00/49/85/442004985.db2.gz VHOVLRWDKIPVER-MGPQQGTHSA-N 1 2 337.445 1.124 40 0 EDABLO O=C([C@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1)N1CCOCC1 ZINC000096057492 442004990 /nfs/dbraw/zinc/00/49/90/442004990.db2.gz VHOVLRWDKIPVER-MGPQQGTHSA-N 1 2 337.445 1.124 40 0 EDABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cs1 ZINC000096062504 442010839 /nfs/dbraw/zinc/01/08/39/442010839.db2.gz HPJCEZRLQUOAQH-QGZVFWFLSA-N 1 2 345.472 1.970 40 0 EDABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCN(c4ncccn4)C3)C2)cs1 ZINC000096062504 442010842 /nfs/dbraw/zinc/01/08/42/442010842.db2.gz HPJCEZRLQUOAQH-QGZVFWFLSA-N 1 2 345.472 1.970 40 0 EDABLO Cc1nc(NCc2cncc3c2CCN(S(C)(=O)=O)C3)cc[nH+]1 ZINC000096067468 442016406 /nfs/dbraw/zinc/01/64/06/442016406.db2.gz LTLPXPOKTLCCBZ-UHFFFAOYSA-N 1 2 333.417 1.110 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)no1 ZINC000096108075 442032770 /nfs/dbraw/zinc/03/27/70/442032770.db2.gz VIDZQHCLDDMGKV-CZUORRHYSA-N 1 2 331.372 1.549 40 0 EDABLO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)no1 ZINC000096108075 442032773 /nfs/dbraw/zinc/03/27/73/442032773.db2.gz VIDZQHCLDDMGKV-CZUORRHYSA-N 1 2 331.372 1.549 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccoc2)C1 ZINC000096187870 442064713 /nfs/dbraw/zinc/06/47/13/442064713.db2.gz DTQDGESDXUBQSF-HNNXBMFYSA-N 1 2 332.404 1.213 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccoc2)C1 ZINC000096187870 442064716 /nfs/dbraw/zinc/06/47/16/442064716.db2.gz DTQDGESDXUBQSF-HNNXBMFYSA-N 1 2 332.404 1.213 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096187870 442064717 /nfs/dbraw/zinc/06/47/17/442064717.db2.gz DTQDGESDXUBQSF-HNNXBMFYSA-N 1 2 332.404 1.213 40 0 EDABLO Cc1ccc(C(=O)N2Cc3[nH+]ccn3C[C@H](Cn3cccn3)C2)o1 ZINC000096188566 442065765 /nfs/dbraw/zinc/06/57/65/442065765.db2.gz ONISWNHTOCXMIX-AWEZNQCLSA-N 1 2 325.372 1.953 40 0 EDABLO Cc1ccoc1C(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196956 442070052 /nfs/dbraw/zinc/07/00/52/442070052.db2.gz JZTTVJJANPKSAR-UHFFFAOYSA-N 1 2 325.372 1.728 40 0 EDABLO CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](Cc1ccoc1)CCC2 ZINC000096197637 442071691 /nfs/dbraw/zinc/07/16/91/442071691.db2.gz FCAMJVJAJNXWDD-UHFFFAOYSA-N 1 2 344.415 1.514 40 0 EDABLO CC(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccoc1)CCC2 ZINC000096197637 442071701 /nfs/dbraw/zinc/07/17/01/442071701.db2.gz FCAMJVJAJNXWDD-UHFFFAOYSA-N 1 2 344.415 1.514 40 0 EDABLO COCC(=O)N1CCc2[nH+]c(NC(C)C)nc(NC(C)C)c2CC1 ZINC000096254639 442105828 /nfs/dbraw/zinc/10/58/28/442105828.db2.gz KVKLLMBYSMUHFH-UHFFFAOYSA-N 1 2 335.452 1.691 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000247880158 442871117 /nfs/dbraw/zinc/87/11/17/442871117.db2.gz BWXZEHZSVCTAMF-QGZVFWFLSA-N 1 2 342.443 1.901 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000247880158 442871121 /nfs/dbraw/zinc/87/11/21/442871121.db2.gz BWXZEHZSVCTAMF-QGZVFWFLSA-N 1 2 342.443 1.901 40 0 EDABLO CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000247951909 442874401 /nfs/dbraw/zinc/87/44/01/442874401.db2.gz CBVHTYSZZNHDAE-CYBMUJFWSA-N 1 2 342.399 1.336 40 0 EDABLO CN(C)C(=O)[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000247951909 442874407 /nfs/dbraw/zinc/87/44/07/442874407.db2.gz CBVHTYSZZNHDAE-CYBMUJFWSA-N 1 2 342.399 1.336 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@H]21 ZINC000248151502 442883519 /nfs/dbraw/zinc/88/35/19/442883519.db2.gz UIMFYXXDDXGCSG-QGPMSJSTSA-N 1 2 327.432 1.907 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2C)CC[N@@H+]1C ZINC000257297833 443136864 /nfs/dbraw/zinc/13/68/64/443136864.db2.gz RIYMJUKCUSPLDX-INIZCTEOSA-N 1 2 326.400 1.923 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cncnc2C)CC[N@H+]1C ZINC000257297833 443136867 /nfs/dbraw/zinc/13/68/67/443136867.db2.gz RIYMJUKCUSPLDX-INIZCTEOSA-N 1 2 326.400 1.923 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)cc[nH+]1 ZINC000257234516 443125517 /nfs/dbraw/zinc/12/55/17/443125517.db2.gz GTVUNKIYPVBZOM-ZDUSSCGKSA-N 1 2 335.433 1.407 40 0 EDABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Nc2ncc(C)s2)C1 ZINC000257283431 443129441 /nfs/dbraw/zinc/12/94/41/443129441.db2.gz OYHMLKXKJWKKDA-LBPRGKRZSA-N 1 2 346.460 1.911 40 0 EDABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Nc2ncc(C)s2)C1 ZINC000257283431 443129447 /nfs/dbraw/zinc/12/94/47/443129447.db2.gz OYHMLKXKJWKKDA-LBPRGKRZSA-N 1 2 346.460 1.911 40 0 EDABLO CC(C)OCC(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257334785 443152323 /nfs/dbraw/zinc/15/23/23/443152323.db2.gz YHJWNRVTQSQIQG-CQSZACIVSA-N 1 2 341.415 1.862 40 0 EDABLO C[C@@H]1C[C@@H](C)CN(Cc2nnc(C[NH+]3C[C@H](C)C[C@@H](C)C3)n2N)C1 ZINC000260574421 443160609 /nfs/dbraw/zinc/16/06/09/443160609.db2.gz YHKVRFMVWLJGQI-KLHDSHLOSA-N 1 2 334.512 1.948 40 0 EDABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2Oc2ccccc21 ZINC000514290169 448160510 /nfs/dbraw/zinc/16/05/10/448160510.db2.gz TZHDGOUDNZLQHX-OCCSQVGLSA-N 1 2 336.438 1.672 40 0 biogenic,in-vitro EDABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2Oc2ccccc21 ZINC000514290169 448160516 /nfs/dbraw/zinc/16/05/16/448160516.db2.gz TZHDGOUDNZLQHX-OCCSQVGLSA-N 1 2 336.438 1.672 40 0 biogenic,in-vitro EDABLO Cc1cncc(C[N@H+]2CCC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 ZINC000585101184 448684806 /nfs/dbraw/zinc/68/48/06/448684806.db2.gz LTEHUIPNQLFLRM-SFHVURJKSA-N 1 2 345.447 1.763 40 0 EDABLO Cc1cncc(C[N@@H+]2CCC[C@]3(CC(C(=O)N(C)C(C)C)=NO3)C2)n1 ZINC000585101184 448684809 /nfs/dbraw/zinc/68/48/09/448684809.db2.gz LTEHUIPNQLFLRM-SFHVURJKSA-N 1 2 345.447 1.763 40 0 EDABLO O=C(/C=C/C[NH+]1CCOCC1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585291724 448736382 /nfs/dbraw/zinc/73/63/82/448736382.db2.gz SJZHYJADKKEBQY-AXHCFYFUSA-N 1 2 344.455 1.327 40 0 EDABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072361807 216169004 /nfs/dbraw/zinc/16/90/04/216169004.db2.gz YHQAYFNHXMWGSY-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO COc1cccc(Oc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072361807 216169006 /nfs/dbraw/zinc/16/90/06/216169006.db2.gz YHQAYFNHXMWGSY-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO Cc1cc([C@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)ccn1 ZINC000257216249 244166376 /nfs/dbraw/zinc/16/63/76/244166376.db2.gz CTRYWXYIUQSAAT-GOSISDBHSA-N 1 2 340.427 1.817 40 0 EDABLO Cc1cc([C@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)ccn1 ZINC000257216249 244166384 /nfs/dbraw/zinc/16/63/84/244166384.db2.gz CTRYWXYIUQSAAT-GOSISDBHSA-N 1 2 340.427 1.817 40 0 EDABLO COc1ccccc1[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1 ZINC000257252898 244273001 /nfs/dbraw/zinc/27/30/01/244273001.db2.gz JWOUTWHVGDASLW-HNNXBMFYSA-N 1 2 333.413 1.425 40 0 EDABLO C[N@@H+]1C[C@@H](N2C(=O)CCC2=O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000077261633 216860186 /nfs/dbraw/zinc/86/01/86/216860186.db2.gz ZMYAMTIFVXLACN-RYUDHWBXSA-N 1 2 327.344 1.026 40 0 biogenic,in-vitro EDABLO C[N@H+]1C[C@@H](N2C(=O)CCC2=O)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000077261633 216860189 /nfs/dbraw/zinc/86/01/89/216860189.db2.gz ZMYAMTIFVXLACN-RYUDHWBXSA-N 1 2 327.344 1.026 40 0 biogenic,in-vitro EDABLO COc1ccc(S(=O)(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257286904 295193431 /nfs/dbraw/zinc/19/34/31/295193431.db2.gz PNOYZNPMJXKAOL-AWEZNQCLSA-N 1 2 337.401 1.489 40 0 EDABLO O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3[nH]cc[nH+]3)CCN12 ZINC000077266668 441744736 /nfs/dbraw/zinc/74/47/36/441744736.db2.gz BIRZCNLOYXRAQF-OAHLLOKOSA-N 1 2 329.379 1.671 40 0 biogenic,in-vitro EDABLO O=S(=O)(C1CC1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187933 442065180 /nfs/dbraw/zinc/06/51/80/442065180.db2.gz XAALOYYZAOHODC-ZDUSSCGKSA-N 1 2 325.434 1.234 40 0 EDABLO Fc1cnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)nc1 ZINC000096226581 442095404 /nfs/dbraw/zinc/09/54/04/442095404.db2.gz QKCITDDPUDFHMJ-SFHVURJKSA-N 1 2 343.406 1.882 40 0 EDABLO Fc1cnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)nc1 ZINC000096226581 442095407 /nfs/dbraw/zinc/09/54/07/442095407.db2.gz QKCITDDPUDFHMJ-SFHVURJKSA-N 1 2 343.406 1.882 40 0 EDABLO CCS(=O)(=O)N1CCC[C@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096229066 442095775 /nfs/dbraw/zinc/09/57/75/442095775.db2.gz RCGCWUGCDMNOHJ-INIZCTEOSA-N 1 2 339.461 1.350 40 0 EDABLO Cc1cccc(N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)[nH+]1 ZINC000096238081 442098737 /nfs/dbraw/zinc/09/87/37/442098737.db2.gz KEAWUBDGQYOWLM-SFHVURJKSA-N 1 2 340.431 1.051 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239714 442099067 /nfs/dbraw/zinc/09/90/67/442099067.db2.gz BMZLQFMSJLKHQS-MRXNPFEDSA-N 1 2 348.401 1.948 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239714 442099072 /nfs/dbraw/zinc/09/90/72/442099072.db2.gz BMZLQFMSJLKHQS-MRXNPFEDSA-N 1 2 348.401 1.948 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@@H](CNc3cccnc3)CC[C@@H]21 ZINC000096250165 442103629 /nfs/dbraw/zinc/10/36/29/442103629.db2.gz UIMFYXXDDXGCSG-UWWQBHOKSA-N 1 2 327.432 1.907 40 0 EDABLO O=S1(=O)CC[C@H](COCc2cccnc2)C12C[NH+](C1CCC1)C2 ZINC000247305153 442846362 /nfs/dbraw/zinc/84/63/62/442846362.db2.gz GPVOSMTVDZETGO-OAHLLOKOSA-N 1 2 336.457 1.640 40 0 EDABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1)N1CCCC1 ZINC000247722554 442866841 /nfs/dbraw/zinc/86/68/41/442866841.db2.gz AIUWAZXEEONZBC-KRWDZBQOSA-N 1 2 345.443 1.454 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 ZINC000248105832 442881715 /nfs/dbraw/zinc/88/17/15/442881715.db2.gz FUOFZDQSFRBYAD-FRFSOERESA-N 1 2 344.415 1.198 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 ZINC000248105832 442881716 /nfs/dbraw/zinc/88/17/16/442881716.db2.gz FUOFZDQSFRBYAD-FRFSOERESA-N 1 2 344.415 1.198 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+]2C(C)(C)C1 ZINC000253399436 443056407 /nfs/dbraw/zinc/05/64/07/443056407.db2.gz JGYNABPUKVAPAX-KRWDZBQOSA-N 1 2 329.444 1.383 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@H+]2C(C)(C)C1 ZINC000253399436 443056409 /nfs/dbraw/zinc/05/64/09/443056409.db2.gz JGYNABPUKVAPAX-KRWDZBQOSA-N 1 2 329.444 1.383 40 0 biogenic,in-vitro EDABLO Cc1ccc(C[N@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cn1 ZINC000257285553 443131614 /nfs/dbraw/zinc/13/16/14/443131614.db2.gz PHSASOUSMCTRTJ-GOSISDBHSA-N 1 2 325.416 1.760 40 0 EDABLO Cc1ccc(C[N@@H+]2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cn1 ZINC000257285553 443131619 /nfs/dbraw/zinc/13/16/19/443131619.db2.gz PHSASOUSMCTRTJ-GOSISDBHSA-N 1 2 325.416 1.760 40 0 EDABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCN(S(C)(=O)=O)C3)n2)n1C ZINC000257323939 443147109 /nfs/dbraw/zinc/14/71/09/443147109.db2.gz WMNDSFMWGXPERX-GFCCVEGCSA-N 1 2 335.433 1.010 40 0 EDABLO Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257281857 443129579 /nfs/dbraw/zinc/12/95/79/443129579.db2.gz ORGRWBZRKUKLGI-KRWDZBQOSA-N 1 2 330.388 1.448 40 0 EDABLO CCn1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257285068 443130535 /nfs/dbraw/zinc/13/05/35/443130535.db2.gz PFMLUACRIVVLLN-GOSISDBHSA-N 1 2 343.431 1.368 40 0 EDABLO Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257285476 443130950 /nfs/dbraw/zinc/13/09/50/443130950.db2.gz PHFVWLLGFVMGHW-KRWDZBQOSA-N 1 2 345.403 1.103 40 0 EDABLO CC(C)c1nnc(CCC(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)o1 ZINC000257285504 443131177 /nfs/dbraw/zinc/13/11/77/443131177.db2.gz PHLFLZHJFLKFLX-XJKCOSOUSA-N 1 2 347.419 1.545 40 0 EDABLO Cc1nc(C)c(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257340845 443155350 /nfs/dbraw/zinc/15/53/50/443155350.db2.gz ZHTDVNIZLRSJCP-INIZCTEOSA-N 1 2 347.444 1.230 40 0 EDABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257344462 443156720 /nfs/dbraw/zinc/15/67/20/443156720.db2.gz ZXHWNJGEIRCFET-WMZOPIPTSA-N 1 2 347.415 1.199 40 0 EDABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257344462 443156723 /nfs/dbraw/zinc/15/67/23/443156723.db2.gz ZXHWNJGEIRCFET-WMZOPIPTSA-N 1 2 347.415 1.199 40 0 EDABLO Cc1ccc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306138346 444287254 /nfs/dbraw/zinc/28/72/54/444287254.db2.gz RVHPXKCKVXQELN-ZMSDIMECSA-N 1 2 338.411 1.984 40 0 EDABLO C[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329044225 444456199 /nfs/dbraw/zinc/45/61/99/444456199.db2.gz SVFANCUNBIOEBG-DZGCQCFKSA-N 1 2 328.416 1.371 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2ccccc2)[nH+]1 ZINC000329059184 444461170 /nfs/dbraw/zinc/46/11/70/444461170.db2.gz WGMJOBPTXUQGRE-CQSZACIVSA-N 1 2 335.411 1.787 40 0 EDABLO Cc1ccccc1C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H]2OCCC[C@@H]21 ZINC000585108408 448689193 /nfs/dbraw/zinc/68/91/93/448689193.db2.gz DMOFSWJGJCEHKE-OKZBNKHCSA-N 1 2 330.428 1.699 40 0 EDABLO Cn1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 ZINC000585268991 485894051 /nfs/dbraw/zinc/89/40/51/485894051.db2.gz GSKJRXDSTVSJPX-QGZVFWFLSA-N 1 2 335.379 1.202 40 0 EDABLO Cn1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 ZINC000585268991 485894058 /nfs/dbraw/zinc/89/40/58/485894058.db2.gz GSKJRXDSTVSJPX-QGZVFWFLSA-N 1 2 335.379 1.202 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cn2cccnc2=O)cc[nH+]1 ZINC000257303868 536145679 /nfs/dbraw/zinc/14/56/79/536145679.db2.gz SJCNEPYQJYEWAY-AWEZNQCLSA-N 1 2 327.388 1.068 40 0 EDABLO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072383601 216184505 /nfs/dbraw/zinc/18/45/05/216184505.db2.gz LMIVLYDWMIKYBZ-CYBMUJFWSA-N 1 2 327.388 1.637 40 0 EDABLO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072383601 216184508 /nfs/dbraw/zinc/18/45/08/216184508.db2.gz LMIVLYDWMIKYBZ-CYBMUJFWSA-N 1 2 327.388 1.637 40 0 EDABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)cc1 ZINC000072388114 216187597 /nfs/dbraw/zinc/18/75/97/216187597.db2.gz WCRREGDJESPBNJ-QGZVFWFLSA-N 1 2 327.384 1.763 40 0 EDABLO COc1ccc(C[N@H+]2CCO[C@@H](c3ccc(C(N)=O)cn3)C2)cc1 ZINC000072388114 216187601 /nfs/dbraw/zinc/18/76/01/216187601.db2.gz WCRREGDJESPBNJ-QGZVFWFLSA-N 1 2 327.384 1.763 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)cn1 ZINC000257207456 244139691 /nfs/dbraw/zinc/13/96/91/244139691.db2.gz BHVLHTMOKXACHB-SFHVURJKSA-N 1 2 336.399 1.846 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)cn1 ZINC000257207456 244139700 /nfs/dbraw/zinc/13/97/00/244139700.db2.gz BHVLHTMOKXACHB-SFHVURJKSA-N 1 2 336.399 1.846 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)cn1 ZINC000257207455 244140716 /nfs/dbraw/zinc/14/07/16/244140716.db2.gz BHVLHTMOKXACHB-GOSISDBHSA-N 1 2 336.399 1.846 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)cn1 ZINC000257207455 244140721 /nfs/dbraw/zinc/14/07/21/244140721.db2.gz BHVLHTMOKXACHB-GOSISDBHSA-N 1 2 336.399 1.846 40 0 EDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257242761 244248059 /nfs/dbraw/zinc/24/80/59/244248059.db2.gz IEAFQXAVRHVIIT-ZDUSSCGKSA-N 1 2 326.400 1.948 40 0 EDABLO Cc1ncsc1C(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257255416 244282880 /nfs/dbraw/zinc/28/28/80/244282880.db2.gz KHJVDVWBBVBKOF-INIZCTEOSA-N 1 2 347.444 1.263 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3nccs3)CC[N@@H+]2C)c1 ZINC000257274599 244389108 /nfs/dbraw/zinc/38/91/08/244389108.db2.gz NLUMUFJTFJKUTI-OAHLLOKOSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3nccs3)CC[N@H+]2C)c1 ZINC000257274599 244389113 /nfs/dbraw/zinc/38/91/13/244389113.db2.gz NLUMUFJTFJKUTI-OAHLLOKOSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3nccs3)CCN2C)c1 ZINC000257274599 244389117 /nfs/dbraw/zinc/38/91/17/244389117.db2.gz NLUMUFJTFJKUTI-OAHLLOKOSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3nccs3)CCN2C)c1 ZINC000257274599 244389122 /nfs/dbraw/zinc/38/91/22/244389122.db2.gz NLUMUFJTFJKUTI-OAHLLOKOSA-N 1 2 330.457 1.991 40 0 EDABLO CCn1cc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)c(C)n1 ZINC000012222307 211323679 /nfs/dbraw/zinc/32/36/79/211323679.db2.gz BGFMFQAPSHNNBB-UHFFFAOYSA-N 1 2 341.463 1.742 40 0 EDABLO CCn1cc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c(C)n1 ZINC000012222307 211323683 /nfs/dbraw/zinc/32/36/83/211323683.db2.gz BGFMFQAPSHNNBB-UHFFFAOYSA-N 1 2 341.463 1.742 40 0 EDABLO CCn1cc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)c(C)n1 ZINC000012222307 211323689 /nfs/dbraw/zinc/32/36/89/211323689.db2.gz BGFMFQAPSHNNBB-UHFFFAOYSA-N 1 2 341.463 1.742 40 0 EDABLO CC[NH+]1CCN(C(=O)Nc2c[nH]c3cc(OC)ccc3c2=O)CC1 ZINC000004908211 210319881 /nfs/dbraw/zinc/31/98/81/210319881.db2.gz MXENTJIZGGDRKX-UHFFFAOYSA-N 1 2 330.388 1.706 40 0 EDABLO O=C(NCCc1c[nH+]c[nH]1)C(=Cc1ccc[nH]1)NC(=O)c1ccco1 ZINC000004902949 210317582 /nfs/dbraw/zinc/31/75/82/210317582.db2.gz IBVLHTPYKMLQBU-ZROIWOOFSA-N 1 2 339.355 1.461 40 0 EDABLO O=C(NCCc1c[nH]c[nH+]1)C(=Cc1ccc[nH]1)NC(=O)c1ccco1 ZINC000004902949 210317587 /nfs/dbraw/zinc/31/75/87/210317587.db2.gz IBVLHTPYKMLQBU-ZROIWOOFSA-N 1 2 339.355 1.461 40 0 EDABLO Cc1cc2nsnc2c(S(=O)(=O)N2CC[NH+](C)CC2)c1C ZINC000036056663 292026547 /nfs/dbraw/zinc/02/65/47/292026547.db2.gz ZGHNNSFCEHBVMN-UHFFFAOYSA-N 1 2 326.447 1.244 40 0 EDABLO Cc1n[nH]cc1C[N@@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257318258 293136543 /nfs/dbraw/zinc/13/65/43/293136543.db2.gz VNCYBOUCMCHFIX-IAGOWNOFSA-N 1 2 326.400 1.330 40 0 EDABLO Cc1n[nH]cc1C[N@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257318258 293136548 /nfs/dbraw/zinc/13/65/48/293136548.db2.gz VNCYBOUCMCHFIX-IAGOWNOFSA-N 1 2 326.400 1.330 40 0 EDABLO Cc1ccccc1S(=O)(=O)N1CC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000107226676 441404504 /nfs/dbraw/zinc/40/45/04/441404504.db2.gz IALOJYFQXSJLHM-NVXWUHKLSA-N 1 2 347.440 1.986 40 0 EDABLO O=S(=O)(c1ccccc1)N1CC[C@]2(C[C@@H](n3cc[nH+]c3)CO2)C1 ZINC000107226663 441404763 /nfs/dbraw/zinc/40/47/63/441404763.db2.gz SNSLZVGOSMSTGX-ZBFHGGJFSA-N 1 2 333.413 1.678 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 ZINC000096042791 441990832 /nfs/dbraw/zinc/99/08/32/441990832.db2.gz DWBQJTYSIFWFLA-IAOVAPTHSA-N 1 2 345.399 1.872 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 ZINC000096042791 441990837 /nfs/dbraw/zinc/99/08/37/441990837.db2.gz DWBQJTYSIFWFLA-IAOVAPTHSA-N 1 2 345.399 1.872 40 0 EDABLO CCOC[C@H]1Cn2cc[nH+]c2CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000096187817 442064757 /nfs/dbraw/zinc/06/47/57/442064757.db2.gz PJBMJPIEUDZGOA-ZDUSSCGKSA-N 1 2 343.383 1.921 40 0 EDABLO Fc1cnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccnc2)CCO3)nc1 ZINC000096226580 442095382 /nfs/dbraw/zinc/09/53/82/442095382.db2.gz QKCITDDPUDFHMJ-GOSISDBHSA-N 1 2 343.406 1.882 40 0 EDABLO Fc1cnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)nc1 ZINC000096226580 442095384 /nfs/dbraw/zinc/09/53/84/442095384.db2.gz QKCITDDPUDFHMJ-GOSISDBHSA-N 1 2 343.406 1.882 40 0 EDABLO O=C(c1ccncc1)N1CCCn2c(C[NH+]3CCCC3)nnc2C1 ZINC000096259626 442106813 /nfs/dbraw/zinc/10/68/13/442106813.db2.gz IVYYDOFROPOVBE-UHFFFAOYSA-N 1 2 326.404 1.315 40 0 EDABLO O=S(=O)(C1CC1)N1CC2(C1)OCC[C@@H]2CCNc1cccc[nH+]1 ZINC000247331887 442847422 /nfs/dbraw/zinc/84/74/22/442847422.db2.gz PDFBYLVEPCWFRU-ZDUSSCGKSA-N 1 2 337.445 1.467 40 0 EDABLO Cc1cn(C)c([C@@H]2C[N@H+](Cc3cnn4c3nc(C)cc4C)CCO2)n1 ZINC000257307413 443140481 /nfs/dbraw/zinc/14/04/81/443140481.db2.gz SYNWDGSHWOUFLF-INIZCTEOSA-N 1 2 340.431 1.962 40 0 EDABLO Cc1cn(C)c([C@@H]2C[N@@H+](Cc3cnn4c3nc(C)cc4C)CCO2)n1 ZINC000257307413 443140483 /nfs/dbraw/zinc/14/04/83/443140483.db2.gz SYNWDGSHWOUFLF-INIZCTEOSA-N 1 2 340.431 1.962 40 0 EDABLO CNc1cc([C@H]2CCCN2C(=O)Cn2nc(C)ccc2=O)cc[nH+]1 ZINC000257315244 443144215 /nfs/dbraw/zinc/14/42/15/443144215.db2.gz VANCAPLGJMWYLY-CQSZACIVSA-N 1 2 327.388 1.352 40 0 EDABLO CCn1cc(C[N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257317732 443145216 /nfs/dbraw/zinc/14/52/16/443145216.db2.gz VKXNPECAHHKYEQ-LBPRGKRZSA-N 1 2 337.449 1.328 40 0 EDABLO CCn1cc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c(C)n1 ZINC000257317732 443145220 /nfs/dbraw/zinc/14/52/20/443145220.db2.gz VKXNPECAHHKYEQ-LBPRGKRZSA-N 1 2 337.449 1.328 40 0 EDABLO CO[C@@H]1CCCC[C@@H](NC(=O)Cc2c(C)[nH+]c3ccccn32)[C@H]1O ZINC000257329993 443150365 /nfs/dbraw/zinc/15/03/65/443150365.db2.gz XMHZPGZMXZKCSB-DDUZABMNSA-N 1 2 331.416 1.620 40 0 EDABLO O=C(N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccnc(N2CCCC2)c1 ZINC000257342119 443155816 /nfs/dbraw/zinc/15/58/16/443155816.db2.gz ZNDVCUYLVQQLPO-BFYDXBDKSA-N 1 2 341.415 1.373 40 0 EDABLO CNc1cc([C@H]2CCCN(C(=O)Cn3nc(C)ccc3=O)C2)cc[nH+]1 ZINC000257344657 443156891 /nfs/dbraw/zinc/15/68/91/443156891.db2.gz ZYEMOAVZXCBYLO-HNNXBMFYSA-N 1 2 341.415 1.395 40 0 EDABLO COCCN1CC[C@@]2(C[N@H+](CC3=CCCOC3)CC(F)(F)C2)C1=O ZINC000585093348 448675666 /nfs/dbraw/zinc/67/56/66/448675666.db2.gz QJFHRVNNTAOKRQ-MRXNPFEDSA-N 1 2 344.402 1.539 40 0 EDABLO COCCN1CC[C@@]2(C[N@@H+](CC3=CCCOC3)CC(F)(F)C2)C1=O ZINC000585093348 448675668 /nfs/dbraw/zinc/67/56/68/448675668.db2.gz QJFHRVNNTAOKRQ-MRXNPFEDSA-N 1 2 344.402 1.539 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)no1 ZINC000585102104 448686464 /nfs/dbraw/zinc/68/64/64/448686464.db2.gz RQYXSXDWKLKYBC-SFHVURJKSA-N 1 2 346.431 1.286 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)no1 ZINC000585102104 448686471 /nfs/dbraw/zinc/68/64/71/448686471.db2.gz RQYXSXDWKLKYBC-SFHVURJKSA-N 1 2 346.431 1.286 40 0 EDABLO C[C@H]1c2nnc(COc3ccccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000585098338 448684311 /nfs/dbraw/zinc/68/43/11/448684311.db2.gz WMRCINRAOFUDFO-ZDUSSCGKSA-N 1 2 339.403 1.562 40 0 EDABLO C[C@H]1c2nnc(COc3ccccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000585098338 448684316 /nfs/dbraw/zinc/68/43/16/448684316.db2.gz WMRCINRAOFUDFO-ZDUSSCGKSA-N 1 2 339.403 1.562 40 0 EDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)Nc2nc[nH]n2)C1 ZINC000072324286 216151237 /nfs/dbraw/zinc/15/12/37/216151237.db2.gz ILTVPPFQNQRTAE-NSHDSACASA-N 1 2 325.376 1.547 40 0 EDABLO CN(C)C(=O)[C@]1(C)C[N@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000072379910 216183186 /nfs/dbraw/zinc/18/31/86/216183186.db2.gz UQBPDKDBLULPKA-IBGZPJMESA-N 1 2 340.427 1.823 40 0 EDABLO CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2cnc(-c3ccccc3)nc2)CCO1 ZINC000072379910 216183189 /nfs/dbraw/zinc/18/31/89/216183189.db2.gz UQBPDKDBLULPKA-IBGZPJMESA-N 1 2 340.427 1.823 40 0 EDABLO CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000257271569 244379892 /nfs/dbraw/zinc/37/98/92/244379892.db2.gz MYWOEQMMHUQIFL-JFIYKMOQSA-N 1 2 344.415 1.488 40 0 EDABLO CN(C(=O)c1ccco1)C(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000001635194 440849451 /nfs/dbraw/zinc/84/94/51/440849451.db2.gz SDNKPARPWRJSEK-UHFFFAOYSA-N 1 2 330.413 1.854 40 0 EDABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000009937852 441108471 /nfs/dbraw/zinc/10/84/71/441108471.db2.gz QYGPNHBRGNMNFR-GFCCVEGCSA-N 1 2 341.415 1.776 40 0 EDABLO CC(=O)N1CC[C@@H](c2ccnc3c(C[NH+]4CCOCC4)c(C)nn32)C1 ZINC000019707944 441259553 /nfs/dbraw/zinc/25/95/53/441259553.db2.gz YQWYSJHKHLTADQ-OAHLLOKOSA-N 1 2 343.431 1.206 40 0 EDABLO Cc1ccc(C(=O)N2Cc3[nH+]ccn3C[C@@H](CN3CCCC3=O)C2)o1 ZINC000096066985 442014007 /nfs/dbraw/zinc/01/40/07/442014007.db2.gz ZBNFYVXBFDJHOV-AWEZNQCLSA-N 1 2 342.399 1.679 40 0 EDABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cs1 ZINC000096071557 442019141 /nfs/dbraw/zinc/01/91/41/442019141.db2.gz WIXVVFFKDOEJKK-CQSZACIVSA-N 1 2 329.491 1.842 40 0 EDABLO Cc1nc(C[N@H+]2CCC[C@@]3(CCCN3S(C)(=O)=O)C2)cs1 ZINC000096071557 442019149 /nfs/dbraw/zinc/01/91/49/442019149.db2.gz WIXVVFFKDOEJKK-CQSZACIVSA-N 1 2 329.491 1.842 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@@]23CCN(C(=O)c2nccn2C)C3)cs1 ZINC000096076053 442021952 /nfs/dbraw/zinc/02/19/52/442021952.db2.gz YAQLLJSLEIOZEI-MRXNPFEDSA-N 1 2 331.445 1.676 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@@]23CCN(C(=O)c2nccn2C)C3)cs1 ZINC000096076053 442021960 /nfs/dbraw/zinc/02/19/60/442021960.db2.gz YAQLLJSLEIOZEI-MRXNPFEDSA-N 1 2 331.445 1.676 40 0 EDABLO Cn1cccc1C(=O)N1CC[C@@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219089 442090328 /nfs/dbraw/zinc/09/03/28/442090328.db2.gz KXUVOLYAJGAFII-KBXCAEBGSA-N 1 2 326.400 1.906 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1nncs1)C2 ZINC000096229254 442096370 /nfs/dbraw/zinc/09/63/70/442096370.db2.gz YIUBFLZFYILBHY-MRXNPFEDSA-N 1 2 348.476 1.391 40 0 EDABLO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2nccn2C)C3)nn1 ZINC000096223177 442093004 /nfs/dbraw/zinc/09/30/04/442093004.db2.gz SWOXDCJMXKPDPM-MAUKXSAKSA-N 1 2 342.447 1.754 40 0 EDABLO Cc1ccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2nccn2C)C3)nn1 ZINC000096223177 442093009 /nfs/dbraw/zinc/09/30/09/442093009.db2.gz SWOXDCJMXKPDPM-MAUKXSAKSA-N 1 2 342.447 1.754 40 0 EDABLO O=C(N1CCCC1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158856 442048524 /nfs/dbraw/zinc/04/85/24/442048524.db2.gz LUQOXXCFXWSPLM-UHFFFAOYSA-N 1 2 344.459 1.964 40 0 EDABLO O=C(N1CCCC1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158856 442048529 /nfs/dbraw/zinc/04/85/29/442048529.db2.gz LUQOXXCFXWSPLM-UHFFFAOYSA-N 1 2 344.459 1.964 40 0 EDABLO O=C(c1ccnnc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159003 442048967 /nfs/dbraw/zinc/04/89/67/442048967.db2.gz UVUYPZUQOIEEIL-UHFFFAOYSA-N 1 2 339.399 1.383 40 0 EDABLO c1cn2c(n1)C[N@@H+]([C@@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000096188142 442065648 /nfs/dbraw/zinc/06/56/48/442065648.db2.gz NNPROJCPTNVQQQ-DOTOQJQBSA-N 1 2 328.416 1.716 40 0 EDABLO c1cn2c(n1)C[N@H+]([C@@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000096188142 442065656 /nfs/dbraw/zinc/06/56/56/442065656.db2.gz NNPROJCPTNVQQQ-DOTOQJQBSA-N 1 2 328.416 1.716 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1nncs1)C2 ZINC000096229254 442096366 /nfs/dbraw/zinc/09/63/66/442096366.db2.gz YIUBFLZFYILBHY-MRXNPFEDSA-N 1 2 348.476 1.391 40 0 EDABLO CC1(C)[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)[C@@H]2CCO[C@@H]21 ZINC000097096561 442167499 /nfs/dbraw/zinc/16/74/99/442167499.db2.gz DEHVXHIQZUXYGN-ULQDDVLXSA-N 1 2 344.459 1.722 40 0 EDABLO O=C(NC1CC1)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000247726711 442866463 /nfs/dbraw/zinc/86/64/63/442866463.db2.gz DYCPQEFSJGXSHE-HNNXBMFYSA-N 1 2 340.383 1.447 40 0 EDABLO COc1cc(N2Cc3c[nH+]cn3[C@H](CNC(=O)CC3CC3)C2)ncn1 ZINC000247876576 442871743 /nfs/dbraw/zinc/87/17/43/442871743.db2.gz GYMGQTDFMPTMTC-CQSZACIVSA-N 1 2 342.403 1.159 40 0 EDABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N(C)C)CS3)no1 ZINC000247981575 442876072 /nfs/dbraw/zinc/87/60/72/442876072.db2.gz JMGQBMCNFJGKPD-ZDUSSCGKSA-N 1 2 325.434 1.148 40 0 EDABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N(C)C)CCO3)n1 ZINC000248014762 442877379 /nfs/dbraw/zinc/87/73/79/442877379.db2.gz QCZHKYBUFOVFMZ-MRXNPFEDSA-N 1 2 333.432 1.228 40 0 EDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)CC1(O)CCCCC1 ZINC000257313925 443143257 /nfs/dbraw/zinc/14/32/57/443143257.db2.gz UURRBHPKYHHDDU-IBGZPJMESA-N 1 2 347.459 1.567 40 0 EDABLO CNC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2Br)CCO1 ZINC000257330601 443150066 /nfs/dbraw/zinc/15/00/66/443150066.db2.gz XPAYKWYAKVSHHN-CQSZACIVSA-N 1 2 327.222 1.786 40 0 EDABLO CNC(=O)[C@@]1(C)C[N@@H+](Cc2ccccc2Br)CCO1 ZINC000257330601 443150068 /nfs/dbraw/zinc/15/00/68/443150068.db2.gz XPAYKWYAKVSHHN-CQSZACIVSA-N 1 2 327.222 1.786 40 0 EDABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@H+](C3COC3)C[C@H]21 ZINC000514288679 448161101 /nfs/dbraw/zinc/16/11/01/448161101.db2.gz RIOPZTVIEDYCDM-OCCSQVGLSA-N 1 2 342.317 1.621 40 0 biogenic,in-vitro EDABLO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](C3COC3)C[C@H]21 ZINC000514288679 448161106 /nfs/dbraw/zinc/16/11/06/448161106.db2.gz RIOPZTVIEDYCDM-OCCSQVGLSA-N 1 2 342.317 1.621 40 0 biogenic,in-vitro EDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000585110863 448691021 /nfs/dbraw/zinc/69/10/21/448691021.db2.gz RDBASHXRFXIZKB-OAHLLOKOSA-N 1 2 328.391 1.891 40 0 EDABLO Cn1cnc2c1[C@H](C(=O)N1CCC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000585110863 448691026 /nfs/dbraw/zinc/69/10/26/448691026.db2.gz RDBASHXRFXIZKB-OAHLLOKOSA-N 1 2 328.391 1.891 40 0 EDABLO Cc1[nH+]cc(-c2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n2)n1C ZINC000585260990 448715486 /nfs/dbraw/zinc/71/54/86/448715486.db2.gz JOANMHWMFNPOAW-UHFFFAOYSA-N 1 2 349.460 1.633 40 0 EDABLO Cn1cnc2c1C[C@H](C[NH+]1CCOCC1)N(C(=O)C1=CCCC1)C2 ZINC000585094910 448677525 /nfs/dbraw/zinc/67/75/25/448677525.db2.gz TZGAFJQLRPJLNC-OAHLLOKOSA-N 1 2 330.432 1.116 40 0 EDABLO CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585277788 448725338 /nfs/dbraw/zinc/72/53/38/448725338.db2.gz PEVXIQWFVJJWFA-KRWDZBQOSA-N 1 2 333.363 1.788 40 0 EDABLO O=S(=O)(Cc1ccon1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679939893 486678137 /nfs/dbraw/zinc/67/81/37/486678137.db2.gz JKCZBGIGSHKWFT-UHFFFAOYSA-N 1 2 338.433 1.893 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072388396 216188018 /nfs/dbraw/zinc/18/80/18/216188018.db2.gz VJTRHNWHBVABAH-GOSISDBHSA-N 1 2 342.447 1.732 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072388396 216188021 /nfs/dbraw/zinc/18/80/21/216188021.db2.gz VJTRHNWHBVABAH-GOSISDBHSA-N 1 2 342.447 1.732 40 0 EDABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)cc[nH+]1 ZINC000257205696 244133860 /nfs/dbraw/zinc/13/38/60/244133860.db2.gz BAFNXUNBFVRNRM-ZDUSSCGKSA-N 1 2 335.433 1.691 40 0 EDABLO Cc1cc(CC2CCN(S(=O)(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC000257232347 244216691 /nfs/dbraw/zinc/21/66/91/244216691.db2.gz GKMXFOTVZOFORL-UHFFFAOYSA-N 1 2 339.461 1.222 40 0 EDABLO CCn1cc(-c2cc(N[C@@H](C)C(=O)N3CCCCC3)nc(N)[nH+]2)cn1 ZINC000019718061 212056709 /nfs/dbraw/zinc/05/67/09/212056709.db2.gz GEEXTQRCBMQJSV-LBPRGKRZSA-N 1 2 343.435 1.755 40 0 EDABLO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2cncn2C)n1 ZINC000019573795 212046218 /nfs/dbraw/zinc/04/62/18/212046218.db2.gz YQVIFWWQELDTPM-QGZVFWFLSA-N 1 2 343.431 1.890 40 0 EDABLO Cc1cc(C)n(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2cncn2C)n1 ZINC000019573795 212046219 /nfs/dbraw/zinc/04/62/19/212046219.db2.gz YQVIFWWQELDTPM-QGZVFWFLSA-N 1 2 343.431 1.890 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044866 441993751 /nfs/dbraw/zinc/99/37/51/441993751.db2.gz SJBZHOVYAHNARS-AWEZNQCLSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044866 441993755 /nfs/dbraw/zinc/99/37/55/441993755.db2.gz SJBZHOVYAHNARS-AWEZNQCLSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)c1[nH+]c2c(cc1C(=O)[O-])CC[N@H+](Cc1nccn1C)CC2 ZINC000096067477 442015803 /nfs/dbraw/zinc/01/58/03/442015803.db2.gz YANZQSCFFSAVCJ-UHFFFAOYSA-N 1 2 329.404 1.180 40 0 EDABLO CN(C)c1[nH+]c2c(cc1C(=O)[O-])CC[N@@H+](Cc1nccn1C)CC2 ZINC000096067477 442015808 /nfs/dbraw/zinc/01/58/08/442015808.db2.gz YANZQSCFFSAVCJ-UHFFFAOYSA-N 1 2 329.404 1.180 40 0 EDABLO Cc1cc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@@H]2C)no1 ZINC000096070149 442017452 /nfs/dbraw/zinc/01/74/52/442017452.db2.gz HEKYNLAABBOCEX-LBPRGKRZSA-N 1 2 326.360 1.641 40 0 EDABLO O=C(c1ccccc1F)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096246497 442102105 /nfs/dbraw/zinc/10/21/05/442102105.db2.gz KOSKZNNHXCCDDP-XKQJLSEDSA-N 1 2 334.391 1.530 40 0 EDABLO O=C(c1ccccc1F)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096246497 442102110 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CC(C)[N@@H+]1CCN(C(=O)c2cccc(N3CCCC3)c2)C[C@@H]1C(N)=O ZINC000257314773 443143484 /nfs/dbraw/zinc/14/34/84/443143484.db2.gz UYJSHGRERHPDDG-QGZVFWFLSA-N 1 2 344.459 1.307 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)c2cccc(N3CCCC3)c2)C[C@@H]1C(N)=O ZINC000257314773 443143487 /nfs/dbraw/zinc/14/34/87/443143487.db2.gz UYJSHGRERHPDDG-QGZVFWFLSA-N 1 2 344.459 1.307 40 0 EDABLO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)OCC1(CC1)CO2 ZINC000225368090 443100202 /nfs/dbraw/zinc/10/02/02/443100202.db2.gz KCMOYBYNISPKQC-UHFFFAOYSA-N 1 2 332.400 1.300 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)n1 ZINC000257325652 443147601 /nfs/dbraw/zinc/14/76/01/443147601.db2.gz WTUUPJNUZNEEHC-HNNXBMFYSA-N 1 2 342.403 1.063 40 0 EDABLO CCn1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257284445 443129975 /nfs/dbraw/zinc/12/99/75/443129975.db2.gz PCTCZGTXTXMSHI-QGZVFWFLSA-N 1 2 329.404 1.011 40 0 EDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)C[C@H]1O)c1cnc[nH]1 ZINC000257341235 443154933 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Cc1cc(C[N@H+]2CCOC[C@](O)(COc3ccc(F)cc3)C2)no1 ZINC000585268918 485893945 /nfs/dbraw/zinc/89/39/45/485893945.db2.gz DPOYJMNTCNVUMJ-KRWDZBQOSA-N 1 2 336.363 1.764 40 0 EDABLO CCn1ncc(S(=O)(=O)N2CCC[C@H]2c2[nH+]c(C)cn2C)c1C ZINC000257232665 535828598 /nfs/dbraw/zinc/82/85/98/535828598.db2.gz GLWILMBVTIWVAU-ZDUSSCGKSA-N 1 2 337.449 1.779 40 0 EDABLO CN(C)c1cccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257202910 536152104 /nfs/dbraw/zinc/15/21/04/536152104.db2.gz ANWPBWSQRCIQTQ-MRXNPFEDSA-N 1 2 343.431 1.724 40 0 EDABLO O=C1CO[C@H]2CN(Cc3[nH]cc[nH+]3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897195 215245306 /nfs/dbraw/zinc/24/53/06/215245306.db2.gz FXQUIVQYFGPYLQ-CABCVRRESA-N 1 2 330.363 1.161 40 0 biogenic,in-vitro EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccn2C)C3)C1 ZINC000072335613 216157470 /nfs/dbraw/zinc/15/74/70/216157470.db2.gz XJJAFRWAEQZFFI-CQSZACIVSA-N 1 2 341.459 1.903 40 0 EDABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccn2C)C3)C1 ZINC000072335613 216157474 /nfs/dbraw/zinc/15/74/74/216157474.db2.gz XJJAFRWAEQZFFI-CQSZACIVSA-N 1 2 341.459 1.903 40 0 EDABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361803 216168611 /nfs/dbraw/zinc/16/86/11/216168611.db2.gz QYALZKLALQTMQS-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO COc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361803 216168614 /nfs/dbraw/zinc/16/86/14/216168614.db2.gz QYALZKLALQTMQS-ZDUSSCGKSA-N 1 2 342.399 1.942 40 0 EDABLO CCS(=O)(=O)NC[C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000253490372 244002276 /nfs/dbraw/zinc/00/22/76/244002276.db2.gz ILHSHEBMDKTZNN-CYBMUJFWSA-N 1 2 340.474 1.441 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3ccsc3)C2)nc[nH+]1 ZINC000257210339 244147450 /nfs/dbraw/zinc/14/74/50/244147450.db2.gz BUEWPOYOKTWLFW-INIZCTEOSA-N 1 2 332.429 1.608 40 0 EDABLO CN(C)c1cnc(C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)CC2)cn1 ZINC000257216400 244167684 /nfs/dbraw/zinc/16/76/84/244167684.db2.gz CUKFCPFIQOHSHR-OAHLLOKOSA-N 1 2 342.447 1.611 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccnc3C)C2)nc[nH+]1 ZINC000257221257 244184603 /nfs/dbraw/zinc/18/46/03/244184603.db2.gz DODXCDNMEKZVDY-SFHVURJKSA-N 1 2 341.415 1.250 40 0 EDABLO Cc1cc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)no1 ZINC000019119510 212000836 /nfs/dbraw/zinc/00/08/36/212000836.db2.gz PFXOGDIENSOVFO-MPYYAJLASA-N 1 2 345.403 1.170 40 0 EDABLO Cc1cc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)no1 ZINC000019119510 212000837 /nfs/dbraw/zinc/00/08/37/212000837.db2.gz PFXOGDIENSOVFO-MPYYAJLASA-N 1 2 345.403 1.170 40 0 EDABLO CC(C)(C)C(=O)N1CCN(c2ccc([NH3+])cc2-n2cnnc2)CC1 ZINC000070461823 441112905 /nfs/dbraw/zinc/11/29/05/441112905.db2.gz NNLXBJBTEMJJTI-UHFFFAOYSA-N 1 2 328.420 1.544 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@]2(CCCN(c3ncccn3)C2)C1 ZINC000096226469 442094957 /nfs/dbraw/zinc/09/49/57/442094957.db2.gz WMBSYCZEXYYKRX-SFHVURJKSA-N 1 2 343.431 1.953 40 0 EDABLO Cc1noc(C)c1C[N@H+]1CCO[C@@]2(CCCN(c3ncccn3)C2)C1 ZINC000096226469 442094962 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CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](Cc1ccoc1)CCC2 ZINC000096197608 442071455 /nfs/dbraw/zinc/07/14/55/442071455.db2.gz IELZIVHTTYWGKC-UHFFFAOYSA-N 1 2 345.403 1.013 40 0 EDABLO O=C(c1cccnc1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202263 442078338 /nfs/dbraw/zinc/07/83/38/442078338.db2.gz XBSVIEHVDTUBIK-LJQANCHMSA-N 1 2 338.411 1.846 40 0 EDABLO O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000247510968 442859203 /nfs/dbraw/zinc/85/92/03/442859203.db2.gz SXSUUYVHKASKHN-QAPCUYQASA-N 1 2 344.415 1.098 40 0 EDABLO O=C(NC[C@H]1CCCO1)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000247510968 442859206 /nfs/dbraw/zinc/85/92/06/442859206.db2.gz SXSUUYVHKASKHN-QAPCUYQASA-N 1 2 344.415 1.098 40 0 EDABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCC(=O)N(C)C)cc1 ZINC000247975075 442875723 /nfs/dbraw/zinc/87/57/23/442875723.db2.gz IGZOQELBRUXJAL-INIZCTEOSA-N 1 2 348.443 1.391 40 0 EDABLO COCCNC(=O)[C@@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248022236 442877618 /nfs/dbraw/zinc/87/76/18/442877618.db2.gz IDVDIJVAGFHZEB-CYBMUJFWSA-N 1 2 334.445 1.344 40 0 EDABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000248022236 442877624 /nfs/dbraw/zinc/87/76/24/442877624.db2.gz IDVDIJVAGFHZEB-CYBMUJFWSA-N 1 2 334.445 1.344 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccn3C)C2)nc[nH+]1 ZINC000257339172 443153864 /nfs/dbraw/zinc/15/38/64/443153864.db2.gz ZAMCGFGAAUHMCZ-SFHVURJKSA-N 1 2 343.431 1.227 40 0 EDABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2Oc2ncccc21 ZINC000514289395 448159842 /nfs/dbraw/zinc/15/98/42/448159842.db2.gz JYQPUGVRFPWZCC-NEPJUHHUSA-N 1 2 337.426 1.067 40 0 biogenic,in-vitro EDABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2Oc2ncccc21 ZINC000514289395 448159845 /nfs/dbraw/zinc/15/98/45/448159845.db2.gz JYQPUGVRFPWZCC-NEPJUHHUSA-N 1 2 337.426 1.067 40 0 biogenic,in-vitro EDABLO O=C1N(c2ncccn2)C[C@@]12CCC[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099389 448684216 /nfs/dbraw/zinc/68/42/16/448684216.db2.gz HVHBEPBNKIGTBF-INIZCTEOSA-N 1 2 344.806 1.549 40 0 EDABLO O=C1N(c2ncccn2)C[C@@]12CCC[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099389 448684220 /nfs/dbraw/zinc/68/42/20/448684220.db2.gz HVHBEPBNKIGTBF-INIZCTEOSA-N 1 2 344.806 1.549 40 0 EDABLO CN(C)S(=O)(=O)N1CCC(c2cccc(-c3c[nH+]cn3C)n2)CC1 ZINC000257241580 536092744 /nfs/dbraw/zinc/09/27/44/536092744.db2.gz HYPMMEMFQUFRRR-UHFFFAOYSA-N 1 2 349.460 1.468 40 0 EDABLO O=c1cc(-c2cc(C3CC3)[nH]n2)nc(NCC[NH+]2CCOCC2)[nH]1 ZINC000100222362 219095171 /nfs/dbraw/zinc/09/51/71/219095171.db2.gz ZVIMASRNFNBPLG-UHFFFAOYSA-N 1 2 330.392 1.194 40 0 EDABLO Cc1cc(N2CCC[C@@](CCCc3cnccn3)(C(N)=O)C2)nc[nH+]1 ZINC000072369022 216175852 /nfs/dbraw/zinc/17/58/52/216175852.db2.gz HFUMPZJENWSAKR-GOSISDBHSA-N 1 2 340.431 1.670 40 0 EDABLO Cc1nc(N2CCO[C@@H](c3ccc(CCC(N)=O)cn3)C2)cc[nH+]1 ZINC000072378809 216181549 /nfs/dbraw/zinc/18/15/49/216181549.db2.gz BSRQMXHCYFWFTJ-OAHLLOKOSA-N 1 2 327.388 1.176 40 0 EDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3c(C)cc(C)cc32)CC1 ZINC000225757518 242021055 /nfs/dbraw/zinc/02/10/55/242021055.db2.gz ZNMOFPCYZQHOHW-UHFFFAOYSA-N 1 2 327.428 1.782 40 0 EDABLO C[N@@H+]1CCO[C@H](c2nccc(CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000257256752 244284409 /nfs/dbraw/zinc/28/44/09/244284409.db2.gz KMTHJMPWPOXSJL-INIZCTEOSA-N 1 2 344.390 1.478 40 0 EDABLO C[N@H+]1CCO[C@H](c2nccc(CNC(=O)Cc3cccc(F)c3)n2)C1 ZINC000257256752 244284416 /nfs/dbraw/zinc/28/44/16/244284416.db2.gz KMTHJMPWPOXSJL-INIZCTEOSA-N 1 2 344.390 1.478 40 0 EDABLO CNc1ncccc1C[N@@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265778 244360936 /nfs/dbraw/zinc/36/09/36/244360936.db2.gz MAFIZEXIHARHCA-HNNXBMFYSA-N 1 2 329.404 1.453 40 0 EDABLO CNc1ncccc1C[N@H+]1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265778 244360947 /nfs/dbraw/zinc/36/09/47/244360947.db2.gz MAFIZEXIHARHCA-HNNXBMFYSA-N 1 2 329.404 1.453 40 0 EDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cncs1 ZINC000257271489 244379344 /nfs/dbraw/zinc/37/93/44/244379344.db2.gz MYOFTHLODFOCMH-MRXNPFEDSA-N 1 2 332.429 1.642 40 0 EDABLO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@@H]2C1 ZINC000096042886 441991429 /nfs/dbraw/zinc/99/14/29/441991429.db2.gz VEWYCRUHKOMZBX-CWRNSKLLSA-N 1 2 333.432 1.594 40 0 EDABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@@H](C(=O)NC(C)C)O[C@@H]2C1 ZINC000096042886 441991433 /nfs/dbraw/zinc/99/14/33/441991433.db2.gz VEWYCRUHKOMZBX-CWRNSKLLSA-N 1 2 333.432 1.594 40 0 EDABLO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1nccs1)C2 ZINC000096036134 441983460 /nfs/dbraw/zinc/98/34/60/441983460.db2.gz ZHTNXPMLDPRBMP-MRXNPFEDSA-N 1 2 336.461 1.046 40 0 EDABLO CCN1C[C@]2(CC1=O)CN(C(C)=O)CC[N@@H+](Cc1nccs1)C2 ZINC000096036134 441983463 /nfs/dbraw/zinc/98/34/63/441983463.db2.gz ZHTNXPMLDPRBMP-MRXNPFEDSA-N 1 2 336.461 1.046 40 0 EDABLO Cn1ccnc1C(=O)N[C@@H]1C[N@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056349 442002499 /nfs/dbraw/zinc/00/24/99/442002499.db2.gz ANYWQVMLMZMLOX-RBSFLKMASA-N 1 2 330.388 1.175 40 0 EDABLO Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056349 442002505 /nfs/dbraw/zinc/00/25/05/442002505.db2.gz ANYWQVMLMZMLOX-RBSFLKMASA-N 1 2 330.388 1.175 40 0 EDABLO Cc1ccc(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)cn1 ZINC000096067089 442016547 /nfs/dbraw/zinc/01/65/47/442016547.db2.gz NXZHKAVDCWTYNS-CQSZACIVSA-N 1 2 337.387 1.150 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccccn2)CCO3)o1 ZINC000096226644 442095179 /nfs/dbraw/zinc/09/51/79/442095179.db2.gz JFIGCPWXBFRAEB-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)o1 ZINC000096226644 442095181 /nfs/dbraw/zinc/09/51/81/442095181.db2.gz JFIGCPWXBFRAEB-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188050 442065775 /nfs/dbraw/zinc/06/57/75/442065775.db2.gz AHAOHJHFCRBSPO-ZDUSSCGKSA-N 1 2 348.428 1.281 40 0 EDABLO O=C(NCC1CC1)[C@@H]1Cn2c[nH+]cc2CN(C(=O)NC2CCCC2)C1 ZINC000096260692 442108721 /nfs/dbraw/zinc/10/87/21/442108721.db2.gz WRFRAIJKKSTTDM-AWEZNQCLSA-N 1 2 345.447 1.493 40 0 EDABLO Cc1csc(Nc2cc([C@H]3CC[N@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000257285408 443131324 /nfs/dbraw/zinc/13/13/24/443131324.db2.gz PGYONDZVPUUGSJ-NSHDSACASA-N 1 2 332.433 1.568 40 0 EDABLO Cc1csc(Nc2cc([C@H]3CC[N@@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000257285408 443131328 /nfs/dbraw/zinc/13/13/28/443131328.db2.gz PGYONDZVPUUGSJ-NSHDSACASA-N 1 2 332.433 1.568 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cnn(C)c3)CC[N@@H+]2C)c1 ZINC000257305651 443139932 /nfs/dbraw/zinc/13/99/32/443139932.db2.gz SQWUNXRPKVRWGP-QGZVFWFLSA-N 1 2 327.432 1.268 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cnn(C)c3)CC[N@H+]2C)c1 ZINC000257305651 443139936 /nfs/dbraw/zinc/13/99/36/443139936.db2.gz SQWUNXRPKVRWGP-QGZVFWFLSA-N 1 2 327.432 1.268 40 0 EDABLO CCCc1nnsc1C(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257320487 443145923 /nfs/dbraw/zinc/14/59/23/443145923.db2.gz VXBAEZUFXJPTII-INIZCTEOSA-N 1 2 347.444 1.257 40 0 EDABLO CC(=O)NCc1cnc([C@H]2C[N@H+](CCc3ccc(F)cc3)CCO2)[nH]1 ZINC000257321486 443146063 /nfs/dbraw/zinc/14/60/63/443146063.db2.gz WBWVWIJHWMOAGY-QGZVFWFLSA-N 1 2 346.406 1.801 40 0 EDABLO CC(=O)NCc1cnc([C@H]2C[N@@H+](CCc3ccc(F)cc3)CCO2)[nH]1 ZINC000257321486 443146066 /nfs/dbraw/zinc/14/60/66/443146066.db2.gz WBWVWIJHWMOAGY-QGZVFWFLSA-N 1 2 346.406 1.801 40 0 EDABLO C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CC[NH+](C)CC1 ZINC000225435355 443103706 /nfs/dbraw/zinc/10/37/06/443103706.db2.gz JMLBGVGPFBXIJO-NSHDSACASA-N 1 2 333.363 1.922 40 0 biogenic,in-vitro EDABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccn3C)CC[N@@H+]2C)c1 ZINC000257282673 443129527 /nfs/dbraw/zinc/12/95/27/443129527.db2.gz OUTIIDPHCYBIIQ-QGZVFWFLSA-N 1 2 340.427 1.514 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccn3C)CC[N@H+]2C)c1 ZINC000257282673 443129530 /nfs/dbraw/zinc/12/95/30/443129530.db2.gz OUTIIDPHCYBIIQ-QGZVFWFLSA-N 1 2 340.427 1.514 40 0 EDABLO CCn1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257284444 443130643 /nfs/dbraw/zinc/13/06/43/443130643.db2.gz PCTCZGTXTXMSHI-KRWDZBQOSA-N 1 2 329.404 1.011 40 0 EDABLO COc1cc(CCC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000257326218 443149400 /nfs/dbraw/zinc/14/94/00/443149400.db2.gz WWHYLLHVNOXTQI-CYBMUJFWSA-N 1 2 330.388 1.796 40 0 EDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)C1CCOCC1 ZINC000257344783 443156659 /nfs/dbraw/zinc/15/66/59/443156659.db2.gz ZYQWPVWKTRAVLS-SFHVURJKSA-N 1 2 333.432 1.298 40 0 EDABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2cnn(C)c2)C3)nc1 ZINC000306123415 444284555 /nfs/dbraw/zinc/28/45/55/444284555.db2.gz AMIRGJPAINZQNQ-INIZCTEOSA-N 1 2 342.447 1.612 40 0 EDABLO Cc1ccc(C[NH2+]Cc2nnn3c2C(=O)N(CC2CC2)CC3)s1 ZINC000306142676 444287930 /nfs/dbraw/zinc/28/79/30/444287930.db2.gz XGFDGXYCPOXVBL-UHFFFAOYSA-N 1 2 331.445 1.804 40 0 EDABLO C[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000329044228 444456330 /nfs/dbraw/zinc/45/63/30/444456330.db2.gz SVFANCUNBIOEBG-ZFWWWQNUSA-N 1 2 328.416 1.371 40 0 EDABLO CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccc(C)o1)C2 ZINC000585103116 448686181 /nfs/dbraw/zinc/68/61/81/448686181.db2.gz QOZKPPMJROYRDF-AWEZNQCLSA-N 1 2 342.461 1.508 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+]3CC(=O)N3CCCC3)C2)no1 ZINC000585102103 448686937 /nfs/dbraw/zinc/68/69/37/448686937.db2.gz RQYXSXDWKLKYBC-GOSISDBHSA-N 1 2 346.431 1.286 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(=O)N3CCCC3)C2)no1 ZINC000585102103 448686942 /nfs/dbraw/zinc/68/69/42/448686942.db2.gz RQYXSXDWKLKYBC-GOSISDBHSA-N 1 2 346.431 1.286 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109341 448689818 /nfs/dbraw/zinc/68/98/18/448689818.db2.gz KQEQULVAIMDWIF-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109341 448689821 /nfs/dbraw/zinc/68/98/21/448689821.db2.gz KQEQULVAIMDWIF-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)CN1CC1CC1 ZINC000585109341 448689825 /nfs/dbraw/zinc/68/98/25/448689825.db2.gz KQEQULVAIMDWIF-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CCn1cc(C[N@@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585276837 448722992 /nfs/dbraw/zinc/72/29/92/448722992.db2.gz RMGLHPYZPMBDER-GOSISDBHSA-N 1 2 333.407 1.848 40 0 EDABLO CCn1cc(C[N@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585276837 448722996 /nfs/dbraw/zinc/72/29/96/448722996.db2.gz RMGLHPYZPMBDER-GOSISDBHSA-N 1 2 333.407 1.848 40 0 EDABLO CN(C)c1cccc(CC[C@H]2CCCCN2S(=O)(=O)N(C)C)[nH+]1 ZINC000585178907 448715693 /nfs/dbraw/zinc/71/56/93/448715693.db2.gz LGJCIFLCPRXFFQ-OAHLLOKOSA-N 1 2 340.493 1.741 40 0 EDABLO C[N@@H+]1C[C@H](CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000585093878 448677401 /nfs/dbraw/zinc/67/74/01/448677401.db2.gz MIVCOKNBDXZOMI-LLVKDONJSA-N 1 2 330.837 1.027 40 0 EDABLO C[N@H+]1C[C@H](CO)CC12CN(S(=O)(=O)c1cccc(Cl)c1)C2 ZINC000585093878 448677404 /nfs/dbraw/zinc/67/74/04/448677404.db2.gz MIVCOKNBDXZOMI-LLVKDONJSA-N 1 2 330.837 1.027 40 0 EDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccc(F)cc1OC ZINC000585094786 448677752 /nfs/dbraw/zinc/67/77/52/448677752.db2.gz MUPZPLKWIJPCMB-CQSZACIVSA-N 1 2 347.390 1.710 40 0 EDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C(=O)NC(C)C)C2)c1 ZINC000585095976 448679005 /nfs/dbraw/zinc/67/90/05/448679005.db2.gz WERGJALALJSYEI-MRXNPFEDSA-N 1 2 326.400 1.913 40 0 EDABLO COCCc1c[nH+]c2n1CCN(C(=O)c1cccnc1OC)[C@H]2C ZINC000585097549 448682909 /nfs/dbraw/zinc/68/29/09/448682909.db2.gz LOJCHVMRCSKGDX-LBPRGKRZSA-N 1 2 330.388 1.693 40 0 EDABLO CCS(=O)(=O)NC[C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000253490373 535673969 /nfs/dbraw/zinc/67/39/69/535673969.db2.gz ILHSHEBMDKTZNN-ZDUSSCGKSA-N 1 2 340.474 1.441 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)cc[nH+]1 ZINC000257202365 536144882 /nfs/dbraw/zinc/14/48/82/536144882.db2.gz ALLMSCSAYIGUPH-HNNXBMFYSA-N 1 2 326.400 1.824 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257257565 536944559 /nfs/dbraw/zinc/94/45/59/536944559.db2.gz KQDXEUPXBBBURS-CQSZACIVSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3c[nH]c(=O)[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257257565 536944561 /nfs/dbraw/zinc/94/45/61/536944561.db2.gz KQDXEUPXBBBURS-CQSZACIVSA-N 1 2 344.371 1.025 40 0 EDABLO Cc1[nH+]cc(CN2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)n1C ZINC000072339862 216157571 /nfs/dbraw/zinc/15/75/71/216157571.db2.gz NWABFCSILQOTIY-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)n1C ZINC000072339862 216157575 /nfs/dbraw/zinc/15/75/75/216157575.db2.gz NWABFCSILQOTIY-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)n1C ZINC000072339862 216157578 /nfs/dbraw/zinc/15/75/78/216157578.db2.gz NWABFCSILQOTIY-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1cccnc1Nc1cc([C@@H]2CC[N@H+](CC(N)=O)C2)nc(C)n1 ZINC000072383582 216184644 /nfs/dbraw/zinc/18/46/44/216184644.db2.gz XYDWEMYRZVWGQW-CYBMUJFWSA-N 1 2 326.404 1.507 40 0 EDABLO Cc1cccnc1Nc1cc([C@@H]2CC[N@@H+](CC(N)=O)C2)nc(C)n1 ZINC000072383582 216184647 /nfs/dbraw/zinc/18/46/47/216184647.db2.gz XYDWEMYRZVWGQW-CYBMUJFWSA-N 1 2 326.404 1.507 40 0 EDABLO C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CC[N@@H+]1C1CCOCC1 ZINC000253591868 244029593 /nfs/dbraw/zinc/02/95/93/244029593.db2.gz RARCTNOWGHNUOX-CYBMUJFWSA-N 1 2 332.448 1.507 40 0 EDABLO C[C@@H]1c2nc(CC(=O)NCC3CC3)cn2CC[N@H+]1C1CCOCC1 ZINC000253591868 244029601 /nfs/dbraw/zinc/02/96/01/244029601.db2.gz RARCTNOWGHNUOX-CYBMUJFWSA-N 1 2 332.448 1.507 40 0 EDABLO Cc1noc(C)c1CC(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257204951 244131398 /nfs/dbraw/zinc/13/13/98/244131398.db2.gz AXANTSRYNQCPFV-GOSISDBHSA-N 1 2 344.415 1.329 40 0 EDABLO CO[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C[C@@]12CCCO2 ZINC000257200891 244119174 /nfs/dbraw/zinc/11/91/74/244119174.db2.gz AFGPZMRFXJFZRB-YOEHRIQHSA-N 1 2 328.372 1.287 40 0 EDABLO Cc1ccc(=O)n(CC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257203258 244126274 /nfs/dbraw/zinc/12/62/74/244126274.db2.gz APGGLKYERKXCLR-OAHLLOKOSA-N 1 2 341.415 1.074 40 0 EDABLO Cc1nc(CC(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257209805 244146867 /nfs/dbraw/zinc/14/68/67/244146867.db2.gz BRYJCQBYZWNVTJ-KRWDZBQOSA-N 1 2 346.456 1.489 40 0 EDABLO CC(C)C(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12 ZINC000514290446 257845567 /nfs/dbraw/zinc/84/55/67/257845567.db2.gz ZWYWQHNXKXUGRA-ZWKOTPCHSA-N 1 2 343.471 1.174 40 0 biogenic,in-vitro EDABLO CC(C)C(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290446 257845568 /nfs/dbraw/zinc/84/55/68/257845568.db2.gz ZWYWQHNXKXUGRA-ZWKOTPCHSA-N 1 2 343.471 1.174 40 0 biogenic,in-vitro EDABLO COC[C@H]1CN(C(=O)c2cc(C)on2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045085 285458936 /nfs/dbraw/zinc/45/89/36/285458936.db2.gz VISUCBAJXZARFN-CYBMUJFWSA-N 1 2 330.388 1.976 40 0 EDABLO CNc1nc(C2CCN(C(=O)CCOC)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711113 277045787 /nfs/dbraw/zinc/04/57/87/277045787.db2.gz UOSXGLBPBVLVID-UHFFFAOYSA-N 1 2 347.463 1.249 40 0 EDABLO CNc1nc(C2CCN(C(=O)CCOC)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711113 277045788 /nfs/dbraw/zinc/04/57/88/277045788.db2.gz UOSXGLBPBVLVID-UHFFFAOYSA-N 1 2 347.463 1.249 40 0 EDABLO CCCOc1c(C[N@@H+]2CCn3c(CO)nnc3C2)cccc1OC ZINC000057823002 441136580 /nfs/dbraw/zinc/13/65/80/441136580.db2.gz LAQXSFGVPVYOSV-UHFFFAOYSA-N 1 2 332.404 1.584 40 0 EDABLO CCCOc1c(C[N@H+]2CCn3c(CO)nnc3C2)cccc1OC ZINC000057823002 441136583 /nfs/dbraw/zinc/13/65/83/441136583.db2.gz LAQXSFGVPVYOSV-UHFFFAOYSA-N 1 2 332.404 1.584 40 0 EDABLO C[NH+]1CCN(C2=C(Cl)[C@]3(OCCS3)C(F)(F)C2(F)F)CC1 ZINC000073332730 441309788 /nfs/dbraw/zinc/30/97/88/441309788.db2.gz MHRMAHXWWOASEL-LLVKDONJSA-N 1 2 346.777 1.900 40 0 EDABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1)c1cnccn1 ZINC000107257530 441405256 /nfs/dbraw/zinc/40/52/56/441405256.db2.gz QUGJCTWPLFNNTM-RRQGHBQHSA-N 1 2 342.399 1.479 40 0 EDABLO O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCC[N@H+]2Cc1ccco1)c1cnccn1 ZINC000107257530 441405259 /nfs/dbraw/zinc/40/52/59/441405259.db2.gz QUGJCTWPLFNNTM-RRQGHBQHSA-N 1 2 342.399 1.479 40 0 EDABLO CC[C@H](Oc1ccccc1Cl)C(=O)NCC[NH+]1CCOCC1 ZINC000030851827 441504757 /nfs/dbraw/zinc/50/47/57/441504757.db2.gz URQGFGNBVSBGJS-AWEZNQCLSA-N 1 2 326.824 1.946 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@H+](Cc2cccnc2)C1 ZINC000096066839 442014733 /nfs/dbraw/zinc/01/47/33/442014733.db2.gz DYTAIZDICLAWJN-MRXNPFEDSA-N 1 2 343.431 1.015 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@@H+](Cc2cccnc2)C1 ZINC000096066839 442014740 /nfs/dbraw/zinc/01/47/40/442014740.db2.gz DYTAIZDICLAWJN-MRXNPFEDSA-N 1 2 343.431 1.015 40 0 EDABLO O=C(c1cocn1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096220412 442091922 /nfs/dbraw/zinc/09/19/22/442091922.db2.gz NUCOLECJGDLIHK-CXAGYDPISA-N 1 2 328.372 1.945 40 0 EDABLO Fc1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000247550951 442861875 /nfs/dbraw/zinc/86/18/75/442861875.db2.gz VZYJJESTLNYUTC-SJORKVTESA-N 1 2 343.406 1.881 40 0 EDABLO Fc1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3Cc2cccnc2)nc1 ZINC000247550951 442861879 /nfs/dbraw/zinc/86/18/79/442861879.db2.gz VZYJJESTLNYUTC-SJORKVTESA-N 1 2 343.406 1.881 40 0 EDABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3cccs3)C2)nc[nH+]1 ZINC000257286103 443131443 /nfs/dbraw/zinc/13/14/43/443131443.db2.gz PKGZWBHLFWCHBW-MRXNPFEDSA-N 1 2 332.429 1.560 40 0 EDABLO Cc1ccnn1CCC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257293492 443134482 /nfs/dbraw/zinc/13/44/82/443134482.db2.gz QPRYTYYXMRCNKQ-SFHVURJKSA-N 1 2 343.431 1.124 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257295699 443135408 /nfs/dbraw/zinc/13/54/08/443135408.db2.gz QZMRXRBYMNODDG-AWEZNQCLSA-N 1 2 340.387 1.591 40 0 EDABLO Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CC[N@@H+](C)Cc1cccnc1 ZINC000257304796 443139681 /nfs/dbraw/zinc/13/96/81/443139681.db2.gz SNEQOQJFZRJKGR-INIZCTEOSA-N 1 2 343.431 1.535 40 0 EDABLO Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CC[N@H+](C)Cc1cccnc1 ZINC000257304796 443139684 /nfs/dbraw/zinc/13/96/84/443139684.db2.gz SNEQOQJFZRJKGR-INIZCTEOSA-N 1 2 343.431 1.535 40 0 EDABLO CNc1cccc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257306807 443140412 /nfs/dbraw/zinc/14/04/12/443140412.db2.gz SVZYDMBSOUBBMK-OAHLLOKOSA-N 1 2 329.404 1.700 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257317547 443145531 /nfs/dbraw/zinc/14/55/31/443145531.db2.gz VKEZAIOWDSIEFQ-INIZCTEOSA-N 1 2 335.423 1.555 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)CCCc2ccc(F)cc2)C[C@H]1C(N)=O ZINC000257317547 443145535 /nfs/dbraw/zinc/14/55/35/443145535.db2.gz VKEZAIOWDSIEFQ-INIZCTEOSA-N 1 2 335.423 1.555 40 0 EDABLO C[N@H+](CC(=O)N1CCC[C@@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257321255 443145914 /nfs/dbraw/zinc/14/59/14/443145914.db2.gz WAWBWLSASAONIP-MRXNPFEDSA-N 1 2 325.416 1.710 40 0 EDABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2cnccn2)C1)Cc1cccnc1 ZINC000257321255 443145918 /nfs/dbraw/zinc/14/59/18/443145918.db2.gz WAWBWLSASAONIP-MRXNPFEDSA-N 1 2 325.416 1.710 40 0 EDABLO CNC(=O)[C@@H](Cc1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCC1CC1 ZINC000225401722 443100977 /nfs/dbraw/zinc/10/09/77/443100977.db2.gz BDLRANITPJDKMR-DLBZAZTESA-N 1 2 329.444 1.334 40 0 biogenic,in-vitro EDABLO CNC(=O)[C@@H](Cc1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCC1CC1 ZINC000225401722 443100981 /nfs/dbraw/zinc/10/09/81/443100981.db2.gz BDLRANITPJDKMR-DLBZAZTESA-N 1 2 329.444 1.334 40 0 biogenic,in-vitro EDABLO Cc1ccn(CCC(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)n1 ZINC000257280247 443128234 /nfs/dbraw/zinc/12/82/34/443128234.db2.gz OKBDKUGJTJOADD-SFHVURJKSA-N 1 2 343.431 1.124 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[N@@H+]1C ZINC000257334929 443151631 /nfs/dbraw/zinc/15/16/31/443151631.db2.gz YHXJWNYMCPVZRX-HNNXBMFYSA-N 1 2 327.384 1.925 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)c2cccc(=O)[nH]2)CC[N@H+]1C ZINC000257334929 443151638 /nfs/dbraw/zinc/15/16/38/443151638.db2.gz YHXJWNYMCPVZRX-HNNXBMFYSA-N 1 2 327.384 1.925 40 0 EDABLO CN(C)c1nccnc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000257341330 443154832 /nfs/dbraw/zinc/15/48/32/443154832.db2.gz ZJWZXWJKOUITFN-AWEZNQCLSA-N 1 2 344.419 1.119 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 ZINC000306127298 444285353 /nfs/dbraw/zinc/28/53/53/444285353.db2.gz FUOFZDQSFRBYAD-YSVLISHTSA-N 1 2 344.415 1.198 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccn4C)[C@H]3C2)no1 ZINC000306127298 444285354 /nfs/dbraw/zinc/28/53/54/444285354.db2.gz FUOFZDQSFRBYAD-YSVLISHTSA-N 1 2 344.415 1.198 40 0 EDABLO C[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575419528 447856749 /nfs/dbraw/zinc/85/67/49/447856749.db2.gz CLSJWHUXBNNPBD-IAGOWNOFSA-N 1 2 331.437 1.866 40 0 EDABLO C[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@H]1O ZINC000575419528 447856754 /nfs/dbraw/zinc/85/67/54/447856754.db2.gz CLSJWHUXBNNPBD-IAGOWNOFSA-N 1 2 331.437 1.866 40 0 EDABLO CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585277167 448723034 /nfs/dbraw/zinc/72/30/34/448723034.db2.gz MQKLKIDKKZKJRV-QGZVFWFLSA-N 1 2 333.363 1.788 40 0 EDABLO Cc1ncc(C[N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585269471 448717842 /nfs/dbraw/zinc/71/78/42/448717842.db2.gz VRFXFJBLMBAFJV-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ncc(C[N@H+]2CCOC[C@](O)(COc3ccccc3)C2)cn1 ZINC000585269471 448717846 /nfs/dbraw/zinc/71/78/46/448717846.db2.gz VRFXFJBLMBAFJV-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000585096179 448680123 /nfs/dbraw/zinc/68/01/23/448680123.db2.gz XCOLDAPUYOPJMJ-HNNXBMFYSA-N 1 2 346.456 1.843 40 0 EDABLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000585292064 448735400 /nfs/dbraw/zinc/73/54/00/448735400.db2.gz WQUOYEPSLUOCHQ-QJGZVHSTSA-N 1 2 328.372 1.295 40 0 EDABLO COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4[nH]cc[nH+]4)C[C@H]32)cc1 ZINC000067897233 215246039 /nfs/dbraw/zinc/24/60/39/215246039.db2.gz ZNVULDQXCYOZHK-CVEARBPZSA-N 1 2 342.399 1.030 40 0 biogenic,in-vitro EDABLO CCOc1ccc2c(c1)c(=O)c(C(=O)N1CC[NH+](C)CC1)cn2C ZINC000022237308 212285352 /nfs/dbraw/zinc/28/53/52/212285352.db2.gz MJOMGVXDZKJZJZ-UHFFFAOYSA-N 1 2 329.400 1.325 40 0 EDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2cnccn2)C1 ZINC000257224164 244195380 /nfs/dbraw/zinc/19/53/80/244195380.db2.gz FAODTHPAAYZKKB-KRWDZBQOSA-N 1 2 337.383 1.735 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCOCC3)CC[N@@H+]2C)c1 ZINC000257233773 244222777 /nfs/dbraw/zinc/22/27/77/244222777.db2.gz GQRCQSAJTYTUGS-QGZVFWFLSA-N 1 2 345.443 1.288 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3CCOCC3)CC[N@H+]2C)c1 ZINC000257233773 244222786 /nfs/dbraw/zinc/22/27/86/244222786.db2.gz GQRCQSAJTYTUGS-QGZVFWFLSA-N 1 2 345.443 1.288 40 0 EDABLO CCc1noc(C)c1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257259390 244294075 /nfs/dbraw/zinc/29/40/75/244294075.db2.gz KYDWCFUCWDMVAG-GOSISDBHSA-N 1 2 344.415 1.702 40 0 EDABLO Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257250150 244268547 /nfs/dbraw/zinc/26/85/47/244268547.db2.gz JLFZJWVZIGBZQL-KRWDZBQOSA-N 1 2 330.388 1.400 40 0 EDABLO CC(C)n1nccc1C(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257265093 244359384 /nfs/dbraw/zinc/35/93/84/244359384.db2.gz LXHXOKFXJPSFCN-GOSISDBHSA-N 1 2 343.431 1.620 40 0 EDABLO CC(=O)N1CCC[C@@H]1c1cncc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000257270205 244374784 /nfs/dbraw/zinc/37/47/84/244374784.db2.gz MTDXBEZXYYXJCU-MRXNPFEDSA-N 1 2 342.403 1.063 40 0 EDABLO O=C(c1c[nH]cn1)N1CC[C@H]2OCC[N@H+](Cc3ccncc3)[C@@H]2CC1 ZINC000107255185 296166080 /nfs/dbraw/zinc/16/60/80/296166080.db2.gz UPCWQWBJRPFEDQ-IAGOWNOFSA-N 1 2 341.415 1.310 40 0 EDABLO O=C(c1c[nH]cn1)N1CC[C@H]2OCC[N@@H+](Cc3ccncc3)[C@@H]2CC1 ZINC000107255185 296166085 /nfs/dbraw/zinc/16/60/85/296166085.db2.gz UPCWQWBJRPFEDQ-IAGOWNOFSA-N 1 2 341.415 1.310 40 0 EDABLO O=C(c1cnc[nH]1)N1CC[C@H]2OCC[N@H+](Cc3ccncc3)[C@@H]2CC1 ZINC000107255185 296166086 /nfs/dbraw/zinc/16/60/86/296166086.db2.gz UPCWQWBJRPFEDQ-IAGOWNOFSA-N 1 2 341.415 1.310 40 0 EDABLO O=C(c1cnc[nH]1)N1CC[C@H]2OCC[N@@H+](Cc3ccncc3)[C@@H]2CC1 ZINC000107255185 296166089 /nfs/dbraw/zinc/16/60/89/296166089.db2.gz UPCWQWBJRPFEDQ-IAGOWNOFSA-N 1 2 341.415 1.310 40 0 EDABLO COc1ccc2c(C[N@H+]3CCn4c(CO)nnc4C3)cn(C)c2c1 ZINC000012293055 211335775 /nfs/dbraw/zinc/33/57/75/211335775.db2.gz FOHMJFVTKLBXBA-UHFFFAOYSA-N 1 2 327.388 1.287 40 0 EDABLO COc1ccc2c(C[N@@H+]3CCn4c(CO)nnc4C3)cn(C)c2c1 ZINC000012293055 211335769 /nfs/dbraw/zinc/33/57/69/211335769.db2.gz FOHMJFVTKLBXBA-UHFFFAOYSA-N 1 2 327.388 1.287 40 0 EDABLO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCCCC1 ZINC000012183423 211312101 /nfs/dbraw/zinc/31/21/01/211312101.db2.gz AINAIQCDXPYRRW-UHFFFAOYSA-N 1 2 343.427 1.613 40 0 EDABLO Cn1cc[nH+]c1[C@H](NC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000012114984 211295008 /nfs/dbraw/zinc/29/50/08/211295008.db2.gz LMYRKOGURKGBLG-CQSZACIVSA-N 1 2 336.342 1.830 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@@H](C)O)C1 ZINC000012145844 211305657 /nfs/dbraw/zinc/30/56/57/211305657.db2.gz DLBRBTCKTBGDOD-KGLIPLIRSA-N 1 2 330.432 1.770 40 0 EDABLO O=C(c1ccno1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096070090 218568356 /nfs/dbraw/zinc/56/83/56/218568356.db2.gz KAYZEQBIUYHUCP-CVEARBPZSA-N 1 2 342.399 1.228 40 0 EDABLO COc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000331408588 141019379 /nfs/dbraw/zinc/01/93/79/141019379.db2.gz IWMMFINKABWFDO-GFCCVEGCSA-N 1 2 339.392 1.884 40 0 EDABLO Cc1cccc(Nc2nc(NCCO)[nH+]c(N3CCOCC3)n2)c1 ZINC000005007269 440933633 /nfs/dbraw/zinc/93/36/33/440933633.db2.gz HWSDEDHTXCICDP-UHFFFAOYSA-N 1 2 330.392 1.164 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 ZINC000017946111 441245714 /nfs/dbraw/zinc/24/57/14/441245714.db2.gz CBVAXCUXFRGPMX-MRXNPFEDSA-N 1 2 344.411 1.902 40 0 EDABLO C[C@@H]1C[C@@H]1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1 ZINC000019495875 441257782 /nfs/dbraw/zinc/25/77/82/441257782.db2.gz QBSNBZHUYZBAHB-DOMZBBRYSA-N 1 2 345.447 1.202 40 0 EDABLO CC1(C)[C@H]2CC[C@]1(C)[C@H](O[C@H](O)C[NH+]1CCN(CCO)CC1)C2 ZINC000041689814 441668501 /nfs/dbraw/zinc/66/85/01/441668501.db2.gz UNIVYCDNGGXPIN-UIBIWLFHSA-N 1 2 326.481 1.146 40 0 EDABLO CCOc1ccc([C@H]([NH3+])c2nnc(Cn3cncn3)[nH]2)cc1OCC ZINC000095534544 441951887 /nfs/dbraw/zinc/95/18/87/441951887.db2.gz UBIFZZZJMJAORN-HNNXBMFYSA-N 1 2 343.391 1.290 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccncc2)C1 ZINC000096066841 442014283 /nfs/dbraw/zinc/01/42/83/442014283.db2.gz DRMISEZWZDTSMZ-MRXNPFEDSA-N 1 2 343.431 1.015 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccncc2)C1 ZINC000096066841 442014287 /nfs/dbraw/zinc/01/42/87/442014287.db2.gz DRMISEZWZDTSMZ-MRXNPFEDSA-N 1 2 343.431 1.015 40 0 EDABLO Cn1cccc1C(=O)N[C@@H]1C[N@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185912 442060608 /nfs/dbraw/zinc/06/06/08/442060608.db2.gz XAJHAYFGTMRESQ-XJKCOSOUSA-N 1 2 346.456 1.643 40 0 EDABLO Cn1cccc1C(=O)N[C@@H]1C[N@@H+](Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096185912 442060612 /nfs/dbraw/zinc/06/06/12/442060612.db2.gz XAJHAYFGTMRESQ-XJKCOSOUSA-N 1 2 346.456 1.643 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2cccs2)C1 ZINC000096187868 442063960 /nfs/dbraw/zinc/06/39/60/442063960.db2.gz RLLJZSSDVXJQJU-AWEZNQCLSA-N 1 2 348.472 1.681 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2cccs2)C1 ZINC000096187868 442063963 /nfs/dbraw/zinc/06/39/63/442063963.db2.gz RLLJZSSDVXJQJU-AWEZNQCLSA-N 1 2 348.472 1.681 40 0 EDABLO CCC[N@H+]1Cc2nccn2C[C@H](CNS(=O)(=O)c2ccccc2)C1 ZINC000096188686 442066742 /nfs/dbraw/zinc/06/67/42/442066742.db2.gz XSBBVWVQWKPOBF-OAHLLOKOSA-N 1 2 348.472 1.703 40 0 EDABLO CCC[N@@H+]1Cc2nccn2C[C@H](CNS(=O)(=O)c2ccccc2)C1 ZINC000096188686 442066748 /nfs/dbraw/zinc/06/67/48/442066748.db2.gz XSBBVWVQWKPOBF-OAHLLOKOSA-N 1 2 348.472 1.703 40 0 EDABLO O=C(c1ccnnc1)N1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197117 442070877 /nfs/dbraw/zinc/07/08/77/442070877.db2.gz WJVFETXLRSKXJL-UHFFFAOYSA-N 1 2 349.398 1.379 40 0 EDABLO Cc1nc(CN2CCn3c(Cn4cncn4)c[nH+]c3[C@H]2C)cs1 ZINC000096201275 442076569 /nfs/dbraw/zinc/07/65/69/442076569.db2.gz IUSHVEGIYNUFHR-LLVKDONJSA-N 1 2 329.433 1.865 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccco1)C2 ZINC000096202080 442077526 /nfs/dbraw/zinc/07/75/26/442077526.db2.gz SMJSRGJVBCYUDL-SFHVURJKSA-N 1 2 344.415 1.378 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C1)COCCN(C(=O)c1ccco1)C2 ZINC000096202080 442077528 /nfs/dbraw/zinc/07/75/28/442077528.db2.gz SMJSRGJVBCYUDL-SFHVURJKSA-N 1 2 344.415 1.378 40 0 EDABLO CCC[C@]1(C)C(=O)NCC[N@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000189039187 442865106 /nfs/dbraw/zinc/86/51/06/442865106.db2.gz XPAGOIMMCPMXAV-GOSISDBHSA-N 1 2 334.416 1.957 40 0 EDABLO CCC[C@]1(C)C(=O)NCC[N@@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000189039187 442865111 /nfs/dbraw/zinc/86/51/11/442865111.db2.gz XPAGOIMMCPMXAV-GOSISDBHSA-N 1 2 334.416 1.957 40 0 EDABLO Cc1ccc(=O)n(CC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)n1 ZINC000257296073 443135917 /nfs/dbraw/zinc/13/59/17/443135917.db2.gz RBCKKDRBQRHTCQ-OAHLLOKOSA-N 1 2 341.415 1.376 40 0 EDABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2c2cc[nH+]c(C)n2)n1 ZINC000257313150 443143176 /nfs/dbraw/zinc/14/31/76/443143176.db2.gz URFFEDMLJVMKGG-KRWDZBQOSA-N 1 2 326.404 1.759 40 0 EDABLO Cc1ncccc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257319575 443145253 /nfs/dbraw/zinc/14/52/53/443145253.db2.gz VTBZTIUKCPXNEA-IBGZPJMESA-N 1 2 340.427 1.889 40 0 EDABLO Cc1cc2nc([C@H]3CCCC[N@@H+]3CC3(O)CCOCC3)cc(=O)n2[nH]1 ZINC000257330829 443150945 /nfs/dbraw/zinc/15/09/45/443150945.db2.gz XQFNUPKRQVZFNK-OAHLLOKOSA-N 1 2 346.431 1.812 40 0 EDABLO Cc1cc2nc([C@H]3CCCC[N@H+]3CC3(O)CCOCC3)cc(=O)n2[nH]1 ZINC000257330829 443150949 /nfs/dbraw/zinc/15/09/49/443150949.db2.gz XQFNUPKRQVZFNK-OAHLLOKOSA-N 1 2 346.431 1.812 40 0 EDABLO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000257344243 443156478 /nfs/dbraw/zinc/15/64/78/443156478.db2.gz ZWGDMTRSNWZQMC-INIZCTEOSA-N 1 2 339.399 1.976 40 0 EDABLO C[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575419527 447856787 /nfs/dbraw/zinc/85/67/87/447856787.db2.gz CLSJWHUXBNNPBD-DLBZAZTESA-N 1 2 331.437 1.866 40 0 EDABLO C[N@@H+](C(c1ccccc1)c1ccccc1)[C@H]1CS(=O)(=O)C[C@H]1O ZINC000575419527 447856789 /nfs/dbraw/zinc/85/67/89/447856789.db2.gz CLSJWHUXBNNPBD-DLBZAZTESA-N 1 2 331.437 1.866 40 0 EDABLO Cc1ncc(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585269470 448718019 /nfs/dbraw/zinc/71/80/19/448718019.db2.gz VRFXFJBLMBAFJV-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ncc(C[N@H+]2CCOC[C@@](O)(COc3ccccc3)C2)cn1 ZINC000585269470 448718021 /nfs/dbraw/zinc/71/80/21/448718021.db2.gz VRFXFJBLMBAFJV-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000257270097 536399998 /nfs/dbraw/zinc/39/99/98/536399998.db2.gz MSTBJISUJHXZGU-ZDUSSCGKSA-N 1 2 341.814 1.505 40 0 EDABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000257270097 536400000 /nfs/dbraw/zinc/40/00/00/536400000.db2.gz MSTBJISUJHXZGU-ZDUSSCGKSA-N 1 2 341.814 1.505 40 0 EDABLO Cc1noc(C)c1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066871828 215088105 /nfs/dbraw/zinc/08/81/05/215088105.db2.gz GICLNWYHBWNKID-UHFFFAOYSA-N 1 2 332.385 1.956 40 0 EDABLO Cn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)Nc2nc[nH]n2)C1 ZINC000072324287 216151334 /nfs/dbraw/zinc/15/13/34/216151334.db2.gz ILTVPPFQNQRTAE-LLVKDONJSA-N 1 2 325.376 1.547 40 0 EDABLO Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257222904 244191838 /nfs/dbraw/zinc/19/18/38/244191838.db2.gz DVCNHWFHQDPHKA-IBGZPJMESA-N 1 2 340.427 1.889 40 0 EDABLO CN(C)c1cncc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2)n1 ZINC000257220251 244180773 /nfs/dbraw/zinc/18/07/73/244180773.db2.gz DKENVIOFWWQQTQ-OAHLLOKOSA-N 1 2 328.420 1.883 40 0 EDABLO Cc1ccsc1C(=O)NC[C@@]1(O)CCCN(c2cc(C)[nH+]cn2)C1 ZINC000257243414 244250699 /nfs/dbraw/zinc/25/06/99/244250699.db2.gz IGWNPJDEDLDTHE-KRWDZBQOSA-N 1 2 346.456 1.916 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3nccs3)CC[N@@H+]2C)c1 ZINC000257274598 244389218 /nfs/dbraw/zinc/38/92/18/244389218.db2.gz NLUMUFJTFJKUTI-HNNXBMFYSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3nccs3)CC[N@H+]2C)c1 ZINC000257274598 244389223 /nfs/dbraw/zinc/38/92/23/244389223.db2.gz NLUMUFJTFJKUTI-HNNXBMFYSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3nccs3)CCN2C)c1 ZINC000257274598 244389229 /nfs/dbraw/zinc/38/92/29/244389229.db2.gz NLUMUFJTFJKUTI-HNNXBMFYSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3nccs3)CCN2C)c1 ZINC000257274598 244389234 /nfs/dbraw/zinc/38/92/34/244389234.db2.gz NLUMUFJTFJKUTI-HNNXBMFYSA-N 1 2 330.457 1.991 40 0 EDABLO C[N@@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 ZINC000019707064 212056313 /nfs/dbraw/zinc/05/63/13/212056313.db2.gz GWRQMIQBIVDHNS-MRXNPFEDSA-N 1 2 339.443 1.672 40 0 EDABLO C[N@H+]1CCC[C@@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 ZINC000019707064 212056314 /nfs/dbraw/zinc/05/63/14/212056314.db2.gz GWRQMIQBIVDHNS-MRXNPFEDSA-N 1 2 339.443 1.672 40 0 EDABLO C[NH+]1CCN(C(=O)CSc2n[nH]c(COc3ccccc3)n2)CC1 ZINC000408558940 250305305 /nfs/dbraw/zinc/30/53/05/250305305.db2.gz WSORVXWRMKMVFM-UHFFFAOYSA-N 1 2 347.444 1.250 40 0 EDABLO COC(=O)c1cc(Br)c(N2CC[NH+](C)CC2)nc1C ZINC000095097590 218280675 /nfs/dbraw/zinc/28/06/75/218280675.db2.gz WXAMWDMWPGSPAY-UHFFFAOYSA-N 1 2 328.210 1.691 40 0 EDABLO CCNC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)NCc1ccccc1 ZINC000012530141 441134233 /nfs/dbraw/zinc/13/42/33/441134233.db2.gz RWKMINIRHAZENB-HNNXBMFYSA-N 1 2 327.388 1.182 40 0 biogenic,in-vitro EDABLO CCNC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)NCc1ccccc1 ZINC000012530141 441134239 /nfs/dbraw/zinc/13/42/39/441134239.db2.gz RWKMINIRHAZENB-HNNXBMFYSA-N 1 2 327.388 1.182 40 0 biogenic,in-vitro EDABLO Cc1nc(C[N@H+]2CC[C@@H]3[C@H](CC2)OCCN3S(C)(=O)=O)cs1 ZINC000107255309 441405788 /nfs/dbraw/zinc/40/57/88/441405788.db2.gz NXLSTNJOKLYEQV-KGLIPLIRSA-N 1 2 345.490 1.076 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@@H]3[C@H](CC2)OCCN3S(C)(=O)=O)cs1 ZINC000107255309 441405793 /nfs/dbraw/zinc/40/57/93/441405793.db2.gz NXLSTNJOKLYEQV-KGLIPLIRSA-N 1 2 345.490 1.076 40 0 EDABLO COCC[N@@H+]1CCO[C@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC000108533622 441461921 /nfs/dbraw/zinc/46/19/21/441461921.db2.gz OWWISVGNGFWXMD-KBPBESRZSA-N 1 2 325.434 1.013 40 0 EDABLO COCC[N@H+]1CCO[C@H]2CCN(C(=O)c3csc(C)n3)C[C@@H]21 ZINC000108533622 441461925 /nfs/dbraw/zinc/46/19/25/441461925.db2.gz OWWISVGNGFWXMD-KBPBESRZSA-N 1 2 325.434 1.013 40 0 EDABLO CN(C)C(=O)COC[C@@H]1c2c([nH+]cn2C)CCN1Cc1ccsc1 ZINC000096066793 442014787 /nfs/dbraw/zinc/01/47/87/442014787.db2.gz OHBOKCZDTDJVCU-OAHLLOKOSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CC[N@H+]1Cc1ccsc1 ZINC000096066793 442014788 /nfs/dbraw/zinc/01/47/88/442014788.db2.gz OHBOKCZDTDJVCU-OAHLLOKOSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)C(=O)COC[C@@H]1c2c(ncn2C)CC[N@@H+]1Cc1ccsc1 ZINC000096066793 442014789 /nfs/dbraw/zinc/01/47/89/442014789.db2.gz OHBOKCZDTDJVCU-OAHLLOKOSA-N 1 2 348.472 1.686 40 0 EDABLO Cc1cc(C(=O)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)no1 ZINC000096067913 442015594 /nfs/dbraw/zinc/01/55/94/442015594.db2.gz FXXLYCXEEUPAKR-UHFFFAOYSA-N 1 2 326.360 1.123 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)no1 ZINC000096220423 442091889 /nfs/dbraw/zinc/09/18/89/442091889.db2.gz HKDVKRIPJAXRRK-OWCLPIDISA-N 1 2 331.372 1.339 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)no1 ZINC000096220423 442091893 /nfs/dbraw/zinc/09/18/93/442091893.db2.gz HKDVKRIPJAXRRK-OWCLPIDISA-N 1 2 331.372 1.339 40 0 EDABLO O=C(COC[C@H]1CC[C@H]2[C@H](CCN2c2cccc[nH+]2)O1)N1CCCC1 ZINC000096186719 442063134 /nfs/dbraw/zinc/06/31/34/442063134.db2.gz TZRQKFFFGAKJMV-IKGGRYGDSA-N 1 2 345.443 1.847 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188058 442065855 /nfs/dbraw/zinc/06/58/55/442065855.db2.gz BQBNOMMYPKVRAR-ZDUSSCGKSA-N 1 2 327.388 1.661 40 0 EDABLO CCCS(=O)(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096197526 442072071 /nfs/dbraw/zinc/07/20/71/442072071.db2.gz NMGBSUHQQUNWPK-UHFFFAOYSA-N 1 2 335.433 1.446 40 0 EDABLO Cn1cc([C@@H]2CC(=O)NC23CC[NH+](Cc2nccs2)CC3)cn1 ZINC000096199763 442074433 /nfs/dbraw/zinc/07/44/33/442074433.db2.gz MSKADRUPZPAQGU-ZDUSSCGKSA-N 1 2 331.445 1.515 40 0 EDABLO c1ncn(Cc2c[nH+]c3n2CCN(Cc2ccc4c(c2)OCO4)C3)n1 ZINC000096201137 442075259 /nfs/dbraw/zinc/07/52/59/442075259.db2.gz YNBBKBLEQJNZQE-UHFFFAOYSA-N 1 2 338.371 1.267 40 0 EDABLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000192885892 442695099 /nfs/dbraw/zinc/69/50/99/442695099.db2.gz OOYZEOVBZUGCBR-INIZCTEOSA-N 1 2 347.440 1.768 40 0 EDABLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000192885892 442695100 /nfs/dbraw/zinc/69/51/00/442695100.db2.gz OOYZEOVBZUGCBR-INIZCTEOSA-N 1 2 347.440 1.768 40 0 EDABLO CCOC[C@@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000253383381 443052306 /nfs/dbraw/zinc/05/23/06/443052306.db2.gz LJJGAPREZHTPQA-HNNXBMFYSA-N 1 2 343.383 1.774 40 0 EDABLO O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000257306580 443140180 /nfs/dbraw/zinc/14/01/80/443140180.db2.gz SUXKACYREMAIET-ZIAGYGMSSA-N 1 2 346.399 1.152 40 0 EDABLO CO[C@H]1CC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@]12CCCO2 ZINC000257317441 443144858 /nfs/dbraw/zinc/14/48/58/443144858.db2.gz VJTKCJHKHJURAF-IRXDYDNUSA-N 1 2 339.457 1.860 40 0 EDABLO CO[C@H]1CC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@]12CCCO2 ZINC000257317441 443144862 /nfs/dbraw/zinc/14/48/62/443144862.db2.gz VJTKCJHKHJURAF-IRXDYDNUSA-N 1 2 339.457 1.860 40 0 EDABLO CC(C)n1nccc1C[N@@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257321114 443146199 /nfs/dbraw/zinc/14/61/99/443146199.db2.gz WADKFQJTWUUGJX-IRXDYDNUSA-N 1 2 348.447 1.055 40 0 EDABLO CC(C)n1nccc1C[N@H+]1C[C@@H]2OCC(=O)N(C3CCOCC3)[C@H]2C1 ZINC000257321114 443146203 /nfs/dbraw/zinc/14/62/03/443146203.db2.gz WADKFQJTWUUGJX-IRXDYDNUSA-N 1 2 348.447 1.055 40 0 EDABLO CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC000257280653 443128001 /nfs/dbraw/zinc/12/80/01/443128001.db2.gz OLTJBSNSZBQZTB-OWCLPIDISA-N 1 2 340.431 1.437 40 0 EDABLO Cc1nc(C)c(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257280932 443128428 /nfs/dbraw/zinc/12/84/28/443128428.db2.gz OMZIIKLJBIYQMS-MRXNPFEDSA-N 1 2 332.429 1.526 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3cccs3)C2)nc[nH+]1 ZINC000257344401 443156797 /nfs/dbraw/zinc/15/67/97/443156797.db2.gz ZXBDMPSVFLKUSJ-QGZVFWFLSA-N 1 2 346.456 1.537 40 0 EDABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000257343963 443156920 /nfs/dbraw/zinc/15/69/20/443156920.db2.gz ZVCZDQGBTDWOAW-CYBMUJFWSA-N 1 2 335.433 1.105 40 0 EDABLO C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306130284 444285643 /nfs/dbraw/zinc/28/56/43/444285643.db2.gz JBGKKFDECJYLBY-LSDHHAIUSA-N 1 2 345.424 1.348 40 0 EDABLO C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000306130284 444285646 /nfs/dbraw/zinc/28/56/46/444285646.db2.gz JBGKKFDECJYLBY-LSDHHAIUSA-N 1 2 345.424 1.348 40 0 EDABLO COc1ccccc1C[N@H+]1Cc2ncnn2C[C@@H](C(=O)N(C)C)C1 ZINC000306136827 444287348 /nfs/dbraw/zinc/28/73/48/444287348.db2.gz QENNQJFYGVFCHS-AWEZNQCLSA-N 1 2 329.404 1.007 40 0 EDABLO COc1ccccc1C[N@@H+]1Cc2ncnn2C[C@@H](C(=O)N(C)C)C1 ZINC000306136827 444287350 /nfs/dbraw/zinc/28/73/50/444287350.db2.gz QENNQJFYGVFCHS-AWEZNQCLSA-N 1 2 329.404 1.007 40 0 EDABLO C[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329039789 444454551 /nfs/dbraw/zinc/45/45/51/444454551.db2.gz SAJJHLNTZOYEDT-LBPRGKRZSA-N 1 2 341.440 1.849 40 0 EDABLO COCCN1CC[C@@]2(C[N@H+](Cc3ccncc3)CC(F)(F)C2)C1=O ZINC000585093114 448674634 /nfs/dbraw/zinc/67/46/34/448674634.db2.gz CPWZZXUFAKOCIH-MRXNPFEDSA-N 1 2 339.386 1.788 40 0 EDABLO COCCN1CC[C@@]2(C[N@@H+](Cc3ccncc3)CC(F)(F)C2)C1=O ZINC000585093114 448674640 /nfs/dbraw/zinc/67/46/40/448674640.db2.gz CPWZZXUFAKOCIH-MRXNPFEDSA-N 1 2 339.386 1.788 40 0 EDABLO CC1CCC(C(=O)N2Cc3[nH+]ccn3C[C@@H](Cn3cncn3)C2)CC1 ZINC000585110680 448691407 /nfs/dbraw/zinc/69/14/07/448691407.db2.gz IVUUROYXJNZVIM-HWOWSKLDSA-N 1 2 342.447 1.960 40 0 EDABLO O[C@@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cncnc2)C1 ZINC000585269019 448716465 /nfs/dbraw/zinc/71/64/65/448716465.db2.gz HVPIJYSHPJSSIS-QGZVFWFLSA-N 1 2 333.363 1.258 40 0 EDABLO O[C@@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585269019 448716471 /nfs/dbraw/zinc/71/64/71/448716471.db2.gz HVPIJYSHPJSSIS-QGZVFWFLSA-N 1 2 333.363 1.258 40 0 EDABLO CCn1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 ZINC000585269296 448717019 /nfs/dbraw/zinc/71/70/19/448717019.db2.gz OKRWLAWRMWTSNC-GOSISDBHSA-N 1 2 349.406 1.684 40 0 EDABLO CCn1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(F)c3)C2)cn1 ZINC000585269296 448717024 /nfs/dbraw/zinc/71/70/24/448717024.db2.gz OKRWLAWRMWTSNC-GOSISDBHSA-N 1 2 349.406 1.684 40 0 EDABLO COC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000253613827 536588763 /nfs/dbraw/zinc/58/87/63/536588763.db2.gz OMPLRJPTBVXJHS-OAHLLOKOSA-N 1 2 335.429 1.490 40 0 EDABLO CCc1nnc(Nc2cc(C)nc([C@H]3CCN(C(=O)C[NH3+])C3)n2)s1 ZINC000072382994 216184060 /nfs/dbraw/zinc/18/40/60/216184060.db2.gz LLVINHMTQULYPE-JTQLQIEISA-N 1 2 347.448 1.217 40 0 EDABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)cc[nH+]1 ZINC000257202366 244125181 /nfs/dbraw/zinc/12/51/81/244125181.db2.gz ALLMSCSAYIGUPH-OAHLLOKOSA-N 1 2 326.400 1.824 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257222326 244188145 /nfs/dbraw/zinc/18/81/45/244188145.db2.gz DSVYRGNXOVWYNE-CQSZACIVSA-N 1 2 349.460 1.413 40 0 EDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCO[C@H](c2cnccn2)C1 ZINC000257225562 244197104 /nfs/dbraw/zinc/19/71/04/244197104.db2.gz FGTFCIPZJISUIH-HNNXBMFYSA-N 1 2 336.355 1.271 40 0 EDABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257250972 244268633 /nfs/dbraw/zinc/26/86/33/244268633.db2.gz JOURPLMBNMCGCM-KRWDZBQOSA-N 1 2 328.420 1.389 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cc(C)on3)CC[N@@H+]2C)c1 ZINC000257260960 244347205 /nfs/dbraw/zinc/34/72/05/244347205.db2.gz LFFBFVDEXVNXPK-QGZVFWFLSA-N 1 2 328.416 1.831 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cc(C)on3)CC[N@H+]2C)c1 ZINC000257260960 244347210 /nfs/dbraw/zinc/34/72/10/244347210.db2.gz LFFBFVDEXVNXPK-QGZVFWFLSA-N 1 2 328.416 1.831 40 0 EDABLO OCCCNc1nc(NCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000329014350 257905322 /nfs/dbraw/zinc/90/53/22/257905322.db2.gz MUXWVGQXIWIDSN-UHFFFAOYSA-N 1 2 335.411 1.789 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3oc(=O)n(C)c3c2)[nH+]1 ZINC000257285963 301025296 /nfs/dbraw/zinc/02/52/96/301025296.db2.gz PJOPNFGCNBQUGR-CYBMUJFWSA-N 1 2 342.355 1.377 40 0 EDABLO C[C@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)[NH+]1CCOCC1 ZINC000019078410 441253929 /nfs/dbraw/zinc/25/39/29/441253929.db2.gz VNSFDOHQQXRYGE-ZBFHGGJFSA-N 1 2 342.443 1.990 40 0 EDABLO CCOC(=O)c1ccc(N2C(=O)[C@@H]3Cc4[nH]c[nH+]c4CN3C2=O)cc1 ZINC000077261586 441742545 /nfs/dbraw/zinc/74/25/45/441742545.db2.gz ZUDPHMWMLZLBMG-AWEZNQCLSA-N 1 2 340.339 1.480 40 0 biogenic,in-vitro EDABLO c1coc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049849 441997438 /nfs/dbraw/zinc/99/74/38/441997438.db2.gz KKBJRIMOPHHOQP-SFHVURJKSA-N 1 2 329.400 1.782 40 0 EDABLO c1coc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049849 441997440 /nfs/dbraw/zinc/99/74/40/441997440.db2.gz KKBJRIMOPHHOQP-SFHVURJKSA-N 1 2 329.400 1.782 40 0 EDABLO CC[N@@H+]1CC(=O)NC[C@]12CCN(C(=O)Nc1cccc(OC)c1)C2 ZINC000096050498 441999971 /nfs/dbraw/zinc/99/99/71/441999971.db2.gz SGKABWSNTDBMLZ-KRWDZBQOSA-N 1 2 332.404 1.123 40 0 EDABLO CC[N@H+]1CC(=O)NC[C@]12CCN(C(=O)Nc1cccc(OC)c1)C2 ZINC000096050498 441999973 /nfs/dbraw/zinc/99/99/73/441999973.db2.gz SGKABWSNTDBMLZ-KRWDZBQOSA-N 1 2 332.404 1.123 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccsc2)C1 ZINC000096059125 442006829 /nfs/dbraw/zinc/00/68/29/442006829.db2.gz AYIUDJGEZLGIRX-HNNXBMFYSA-N 1 2 348.472 1.681 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccsc2)C1 ZINC000096059125 442006832 /nfs/dbraw/zinc/00/68/32/442006832.db2.gz AYIUDJGEZLGIRX-HNNXBMFYSA-N 1 2 348.472 1.681 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096065725 442013926 /nfs/dbraw/zinc/01/39/26/442013926.db2.gz CAUUJRCZOSDWHS-BZSNNMDCSA-N 1 2 328.416 1.764 40 0 EDABLO O=C(C1CCOCC1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062497 442010550 /nfs/dbraw/zinc/01/05/50/442010550.db2.gz MUBJTDONWGAHMT-IBGZPJMESA-N 1 2 345.443 1.564 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096065725 442013932 /nfs/dbraw/zinc/01/39/32/442013932.db2.gz CAUUJRCZOSDWHS-BZSNNMDCSA-N 1 2 328.416 1.764 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)no1 ZINC000096108071 442031449 /nfs/dbraw/zinc/03/14/49/442031449.db2.gz IXHPZORRKPZBHH-RHSMWYFYSA-N 1 2 344.415 1.295 40 0 EDABLO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4cccn4C)CCO[C@@H]3C2)no1 ZINC000096108071 442031460 /nfs/dbraw/zinc/03/14/60/442031460.db2.gz IXHPZORRKPZBHH-RHSMWYFYSA-N 1 2 344.415 1.295 40 0 EDABLO O=C(NC1CCCC1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188482 442065168 /nfs/dbraw/zinc/06/51/68/442065168.db2.gz FGDICXLDUIJAOK-AWEZNQCLSA-N 1 2 345.447 1.590 40 0 EDABLO O=C(Cc1ccsc1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196964 442071118 /nfs/dbraw/zinc/07/11/18/442071118.db2.gz AEWCOVUKWNXZDC-UHFFFAOYSA-N 1 2 341.440 1.817 40 0 EDABLO O=C1CCCN1Cc1nnc2n1CCC[N@@H+](Cc1cccs1)C2 ZINC000096259628 442106940 /nfs/dbraw/zinc/10/69/40/442106940.db2.gz ASQLGYHORLLMGH-UHFFFAOYSA-N 1 2 331.445 1.868 40 0 EDABLO O=C1CCCN1Cc1nnc2n1CCC[N@H+](Cc1cccs1)C2 ZINC000096259628 442106945 /nfs/dbraw/zinc/10/69/45/442106945.db2.gz ASQLGYHORLLMGH-UHFFFAOYSA-N 1 2 331.445 1.868 40 0 EDABLO CNC(=O)C[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247942905 442873718 /nfs/dbraw/zinc/87/37/18/442873718.db2.gz JCDXKWQLEJQFJU-KRWDZBQOSA-N 1 2 328.416 1.593 40 0 EDABLO CNC(=O)C[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247942905 442873720 /nfs/dbraw/zinc/87/37/20/442873720.db2.gz JCDXKWQLEJQFJU-KRWDZBQOSA-N 1 2 328.416 1.593 40 0 EDABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNS(C)(=O)=O)o1 ZINC000248133095 442883948 /nfs/dbraw/zinc/88/39/48/442883948.db2.gz ZKPGQFJKWIIKCA-CYBMUJFWSA-N 1 2 328.434 1.118 40 0 EDABLO CNC(=O)[C@@H]1COC2(C[NH+](Cc3ccccc3C)C2)CN1CC1CC1 ZINC000248142716 442884148 /nfs/dbraw/zinc/88/41/48/442884148.db2.gz GAZIKNGMQLFMHQ-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3C)C2)C[N@@H+]1CC1CC1 ZINC000248142716 442884151 /nfs/dbraw/zinc/88/41/51/442884151.db2.gz GAZIKNGMQLFMHQ-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccccc3C)C2)C[N@H+]1CC1CC1 ZINC000248142716 442884154 /nfs/dbraw/zinc/88/41/54/442884154.db2.gz GAZIKNGMQLFMHQ-SFHVURJKSA-N 1 2 343.471 1.406 40 0 EDABLO CC(=O)NCc1cccc([C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC000257318057 443144831 /nfs/dbraw/zinc/14/48/31/443144831.db2.gz VMHGTVDDUMLSAI-MRXNPFEDSA-N 1 2 327.388 1.347 40 0 EDABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257279700 443128264 /nfs/dbraw/zinc/12/82/64/443128264.db2.gz OHTZUSMCAKUIIV-WMZOPIPTSA-N 1 2 334.416 1.558 40 0 EDABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257279700 443128273 /nfs/dbraw/zinc/12/82/73/443128273.db2.gz OHTZUSMCAKUIIV-WMZOPIPTSA-N 1 2 334.416 1.558 40 0 EDABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000257331881 443151301 /nfs/dbraw/zinc/15/13/01/443151301.db2.gz XUQZJJIDCAWWQS-CYBMUJFWSA-N 1 2 336.399 1.820 40 0 EDABLO COc1cc([C@H]2NC(=O)CC[NH2+]2)cc(I)c1O ZINC000408737855 447680471 /nfs/dbraw/zinc/68/04/71/447680471.db2.gz PETLCRJYZFAJRR-LLVKDONJSA-N 1 2 348.140 1.114 40 0 EDABLO CCS(=O)(=O)NC[C@H]1C[N@H+](CCc2ccccc2)Cc2ccnn21 ZINC000585112308 448692752 /nfs/dbraw/zinc/69/27/52/448692752.db2.gz OIIJGXZBHPCUSF-KRWDZBQOSA-N 1 2 348.472 1.422 40 0 EDABLO CCS(=O)(=O)NC[C@H]1C[N@@H+](CCc2ccccc2)Cc2ccnn21 ZINC000585112308 448692756 /nfs/dbraw/zinc/69/27/56/448692756.db2.gz OIIJGXZBHPCUSF-KRWDZBQOSA-N 1 2 348.472 1.422 40 0 EDABLO O=C(NCC1CC1)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096087 448680390 /nfs/dbraw/zinc/68/03/90/448680390.db2.gz ZVZMVHKZGWHVIF-MRXNPFEDSA-N 1 2 340.383 1.312 40 0 EDABLO COCC(=O)NC[C@H]1CCn2nccc2C[N@@H+]1Cc1c(C)noc1C ZINC000585096959 448681419 /nfs/dbraw/zinc/68/14/19/448681419.db2.gz FZCQTRAWLKVHLY-CQSZACIVSA-N 1 2 347.419 1.025 40 0 EDABLO COCC(=O)NC[C@H]1CCn2nccc2C[N@H+]1Cc1c(C)noc1C ZINC000585096959 448681426 /nfs/dbraw/zinc/68/14/26/448681426.db2.gz FZCQTRAWLKVHLY-CQSZACIVSA-N 1 2 347.419 1.025 40 0 EDABLO C[NH2+]CC(=O)N1CCC[C@H]1c1cc(Nc2nncs2)nc(C)n1 ZINC000072360928 290638569 /nfs/dbraw/zinc/63/85/69/290638569.db2.gz TUBPCPOSKLAPQJ-NSHDSACASA-N 1 2 333.421 1.263 40 0 EDABLO CCCS(=O)(=O)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000097953511 219063943 /nfs/dbraw/zinc/06/39/43/219063943.db2.gz FGPBENFMODTGSF-LZWOXQAQSA-N 1 2 339.461 1.713 40 0 EDABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072367837 216174570 /nfs/dbraw/zinc/17/45/70/216174570.db2.gz QJNUKGYSOFVKEI-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072367837 216174572 /nfs/dbraw/zinc/17/45/72/216174572.db2.gz QJNUKGYSOFVKEI-NSHDSACASA-N 1 2 332.433 1.650 40 0 EDABLO Cc1cccc(C[N@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 ZINC000072368819 216176407 /nfs/dbraw/zinc/17/64/07/216176407.db2.gz OQOMMWZDKIGSCF-UHFFFAOYSA-N 1 2 349.460 1.020 40 0 EDABLO Cc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3cn(C)cn3)CC2)n1 ZINC000072368819 216176408 /nfs/dbraw/zinc/17/64/08/216176408.db2.gz OQOMMWZDKIGSCF-UHFFFAOYSA-N 1 2 349.460 1.020 40 0 EDABLO COCCNc1cc([C@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nc(C)n1 ZINC000072387726 216186800 /nfs/dbraw/zinc/18/68/00/216186800.db2.gz WDHRRUZWTJLHOX-OAHLLOKOSA-N 1 2 332.408 1.140 40 0 EDABLO COCCNc1cc([C@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nc(C)n1 ZINC000072387726 216186802 /nfs/dbraw/zinc/18/68/02/216186802.db2.gz WDHRRUZWTJLHOX-OAHLLOKOSA-N 1 2 332.408 1.140 40 0 EDABLO Cn1cc(C(=O)NCCC[NH+]2CCOCC2)c(=O)c2cc(F)ccc21 ZINC000022236529 212283670 /nfs/dbraw/zinc/28/36/70/212283670.db2.gz RKCGBTXCULRXKY-UHFFFAOYSA-N 1 2 347.390 1.130 40 0 EDABLO Cc1[nH+]c[nH]c1CN1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257212477 244151658 /nfs/dbraw/zinc/15/16/58/244151658.db2.gz CDPSDVMPPFYFJV-GFCCVEGCSA-N 1 2 337.449 1.299 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3nccn3C)CC[N@@H+]2C)c1 ZINC000257270034 244374568 /nfs/dbraw/zinc/37/45/68/244374568.db2.gz MSNLRWIYONNZNI-MRXNPFEDSA-N 1 2 327.432 1.268 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3nccn3C)CC[N@H+]2C)c1 ZINC000257270034 244374572 /nfs/dbraw/zinc/37/45/72/244374572.db2.gz MSNLRWIYONNZNI-MRXNPFEDSA-N 1 2 327.432 1.268 40 0 EDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257261239 244347621 /nfs/dbraw/zinc/34/76/21/244347621.db2.gz LGHUOOAIQAZXFS-GFCCVEGCSA-N 1 2 337.383 1.595 40 0 EDABLO O=C(CCCN1CCCC1=O)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257263059 244353627 /nfs/dbraw/zinc/35/36/27/244353627.db2.gz LOFGXLKPGJVDKT-HNNXBMFYSA-N 1 2 330.432 1.569 40 0 EDABLO Cc1c(NC(=O)C[NH+]2CCC(Oc3cnccn3)CC2)cnn1C ZINC000019658900 212054929 /nfs/dbraw/zinc/05/49/29/212054929.db2.gz JGSVQXUZFLIAAI-UHFFFAOYSA-N 1 2 330.392 1.000 40 0 EDABLO COc1cccc(CN2CC[N@H+](CC(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000019575644 212045573 /nfs/dbraw/zinc/04/55/73/212045573.db2.gz YGNVUEIKJBDCPA-INIZCTEOSA-N 1 2 347.459 1.060 40 0 EDABLO COc1cccc(CN2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000019575644 212045577 /nfs/dbraw/zinc/04/55/77/212045577.db2.gz YGNVUEIKJBDCPA-INIZCTEOSA-N 1 2 347.459 1.060 40 0 EDABLO Nc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121860 211300272 /nfs/dbraw/zinc/30/02/72/211300272.db2.gz BSWXFWMHFMMSSB-UHFFFAOYSA-N 1 2 335.371 1.175 40 0 EDABLO Nc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121860 211300275 /nfs/dbraw/zinc/30/02/75/211300275.db2.gz BSWXFWMHFMMSSB-UHFFFAOYSA-N 1 2 335.371 1.175 40 0 EDABLO O=C(c1cncnc1)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128294 211299378 /nfs/dbraw/zinc/29/93/78/211299378.db2.gz IKDJHDNLXPEFDK-MRXNPFEDSA-N 1 2 335.367 1.777 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3C)C2=O)CC1 ZINC000009288912 211062008 /nfs/dbraw/zinc/06/20/08/211062008.db2.gz CBVAXCUXFRGPMX-INIZCTEOSA-N 1 2 344.411 1.902 40 0 EDABLO CNP1(NC)=[NH+][P@](NC)(N2CC2)=N[P@@](NC)(N2CC2)=N1 ZINC000005996465 440978315 /nfs/dbraw/zinc/97/83/15/440978315.db2.gz AWFLVMILNQNDCC-PMACEKPBSA-N 1 2 339.265 1.347 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cn1 ZINC000096041639 441990202 /nfs/dbraw/zinc/99/02/02/441990202.db2.gz ILVAFNBHFHFJCM-RCCFBDPRSA-N 1 2 335.448 1.595 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cn1 ZINC000096041639 441990204 /nfs/dbraw/zinc/99/02/04/441990204.db2.gz ILVAFNBHFHFJCM-RCCFBDPRSA-N 1 2 335.448 1.595 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3cc[nH+]c3CN(C(=O)C3CC=CC3)C2)n1 ZINC000096188715 442066275 /nfs/dbraw/zinc/06/62/75/442066275.db2.gz RALPSVNTOMABLA-HNNXBMFYSA-N 1 2 340.431 1.716 40 0 EDABLO Cc1nc(C)n(C[C@@H]2Cn3cc[nH+]c3CN(C(=O)c3ccco3)C2)n1 ZINC000096188710 442066390 /nfs/dbraw/zinc/06/63/90/442066390.db2.gz YTSBLPBBMNIAPO-CQSZACIVSA-N 1 2 340.387 1.657 40 0 EDABLO O=C(Cc1cccs1)N1CCn2c(Cn3cccn3)c[nH+]c2C1 ZINC000096201112 442074872 /nfs/dbraw/zinc/07/48/72/442074872.db2.gz LAPCGIIOKOBDFH-UHFFFAOYSA-N 1 2 327.413 1.774 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000096206465 442080565 /nfs/dbraw/zinc/08/05/65/442080565.db2.gz FRYDUTDRBLAXHB-CQSZACIVSA-N 1 2 343.383 1.459 40 0 EDABLO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000189039210 442865027 /nfs/dbraw/zinc/86/50/27/442865027.db2.gz XPAGOIMMCPMXAV-SFHVURJKSA-N 1 2 334.416 1.957 40 0 EDABLO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000189039210 442865029 /nfs/dbraw/zinc/86/50/29/442865029.db2.gz XPAGOIMMCPMXAV-SFHVURJKSA-N 1 2 334.416 1.957 40 0 EDABLO C[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000248135071 442883823 /nfs/dbraw/zinc/88/38/23/442883823.db2.gz OGUYOGIGFGLAEX-MKNHVETJSA-N 1 2 340.423 1.821 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC[C@H](C)O)C1 ZINC000248265512 442886981 /nfs/dbraw/zinc/88/69/81/442886981.db2.gz DLBRBTCKTBGDOD-UONOGXRCSA-N 1 2 330.432 1.770 40 0 EDABLO O=c1cc([C@H]2CCCC[N@H+]2CC2(O)CCOCC2)nc2cc[nH]n21 ZINC000257232100 443126106 /nfs/dbraw/zinc/12/61/06/443126106.db2.gz GJKSTCPHNJXIEP-CQSZACIVSA-N 1 2 332.404 1.503 40 0 EDABLO O=c1cc([C@H]2CCCC[N@@H+]2CC2(O)CCOCC2)nc2cc[nH]n21 ZINC000257232100 443126108 /nfs/dbraw/zinc/12/61/08/443126108.db2.gz GJKSTCPHNJXIEP-CQSZACIVSA-N 1 2 332.404 1.503 40 0 EDABLO C[C@@]1(O)CCN(C(=O)CCn2cc[nH+]c2)C[C@H]1Oc1ccccc1 ZINC000257325409 443148033 /nfs/dbraw/zinc/14/80/33/443148033.db2.gz WSUVDHGXVUQSKH-SJLPKXTDSA-N 1 2 329.400 1.704 40 0 EDABLO O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257343480 443155822 /nfs/dbraw/zinc/15/58/22/443155822.db2.gz ZTEQZDLARLYXFW-JFIYKMOQSA-N 1 2 329.400 1.750 40 0 EDABLO COc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 ZINC000585110788 448691309 /nfs/dbraw/zinc/69/13/09/448691309.db2.gz GNELERLUFJNQAV-INIZCTEOSA-N 1 2 340.427 1.760 40 0 EDABLO COc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 ZINC000585110788 448691314 /nfs/dbraw/zinc/69/13/14/448691314.db2.gz GNELERLUFJNQAV-INIZCTEOSA-N 1 2 340.427 1.760 40 0 EDABLO c1ccc(CN2C[C@@H]3COCCN3C3(C[NH+](C4CCC4)C3)C2)cc1 ZINC000604381012 449219752 /nfs/dbraw/zinc/21/97/52/449219752.db2.gz BHXRSBGBHJUEQO-LJQANCHMSA-N 1 2 327.472 1.810 40 0 biogenic,in-vitro EDABLO CC(C)(O)c1cc(CC2([NH2+]Cc3cccc4c3OCO4)COC2)no1 ZINC000067897924 202037617 /nfs/dbraw/zinc/03/76/17/202037617.db2.gz KSDWITCEBNHLES-UHFFFAOYSA-N 1 2 346.383 1.732 40 0 biogenic,in-vitro EDABLO Cc1csc(CN2Cc3c[nH+]cn3[C@@H](COCC(=O)N(C)C)C2)n1 ZINC000248037453 243506727 /nfs/dbraw/zinc/50/67/27/243506727.db2.gz UYVPPSQWAMSMAJ-CQSZACIVSA-N 1 2 349.460 1.310 40 0 EDABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1ccc2[nH]cnc2c1 ZINC000257225903 244202050 /nfs/dbraw/zinc/20/20/50/244202050.db2.gz FIHRCOYHALVPDJ-FVQBIDKESA-N 1 2 325.372 1.644 40 0 EDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CC1CCOCC1 ZINC000257226937 244203741 /nfs/dbraw/zinc/20/37/41/244203741.db2.gz FMVQEQWUXYAOKX-IBGZPJMESA-N 1 2 347.459 1.688 40 0 EDABLO CC(=O)N1CCN(C(=O)CCn2cc[nH+]c2)C[C@@H]1c1ccccc1 ZINC000257229846 244209223 /nfs/dbraw/zinc/20/92/23/244209223.db2.gz FZRYKEVURFOKJE-QGZVFWFLSA-N 1 2 326.400 1.705 40 0 EDABLO CC(=O)N(C)Cc1cncc([C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072366124 203207584 /nfs/dbraw/zinc/20/75/84/203207584.db2.gz SQLDGIHDOYLWAR-INIZCTEOSA-N 1 2 328.420 1.526 40 0 EDABLO Cc1c[nH+]c(N)c(C(=O)C2CCN(C(=O)c3cnc(C)cn3)CC2)c1 ZINC000072373410 203208625 /nfs/dbraw/zinc/20/86/25/203208625.db2.gz BOJDAZQKRWVYKL-UHFFFAOYSA-N 1 2 339.399 1.806 40 0 EDABLO O=C(CCCn1cccn1)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257257837 244288777 /nfs/dbraw/zinc/28/87/77/244288777.db2.gz KRHHQOSIAMMWBY-GOSISDBHSA-N 1 2 343.431 1.206 40 0 EDABLO Cc1cc2nc([C@H]3CCCC[N@@H+]3CC(=O)N3CCCC3)cc(=O)n2[nH]1 ZINC000257263577 244353903 /nfs/dbraw/zinc/35/39/03/244353903.db2.gz LQQCUOBALMURGT-OAHLLOKOSA-N 1 2 343.431 1.893 40 0 EDABLO Cc1cc2nc([C@H]3CCCC[N@H+]3CC(=O)N3CCCC3)cc(=O)n2[nH]1 ZINC000257263577 244353907 /nfs/dbraw/zinc/35/39/07/244353907.db2.gz LQQCUOBALMURGT-OAHLLOKOSA-N 1 2 343.431 1.893 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 ZINC000102241891 204035065 /nfs/dbraw/zinc/03/50/65/204035065.db2.gz IVCSWHQSGBIMFZ-HNNXBMFYSA-N 1 2 348.374 1.733 40 0 EDABLO COc1cc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)ncn1 ZINC000096158993 277824996 /nfs/dbraw/zinc/82/49/96/277824996.db2.gz BVNUGOGLIFEBPX-UHFFFAOYSA-N 1 2 341.415 1.756 40 0 EDABLO Cn1c[nH+]cc1CN1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1 ZINC000096226401 303027127 /nfs/dbraw/zinc/02/71/27/303027127.db2.gz QMDUNMPJQZFJKW-SFHVURJKSA-N 1 2 345.422 1.826 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000017946105 441245564 /nfs/dbraw/zinc/24/55/64/441245564.db2.gz CQPWUVRQNOGDBD-MRXNPFEDSA-N 1 2 344.411 1.902 40 0 EDABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1OC ZINC000111929400 441543936 /nfs/dbraw/zinc/54/39/36/441543936.db2.gz OBBHBTKGKMRDEV-UHFFFAOYSA-N 1 2 325.390 1.269 40 0 EDABLO CCOC[C@@H]1CN(C(=O)c2ccnnc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045132 441993560 /nfs/dbraw/zinc/99/35/60/441993560.db2.gz YPKCVDAFXGMTCT-HNNXBMFYSA-N 1 2 341.415 1.859 40 0 EDABLO C[C@@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccsc1 ZINC000096062100 442009774 /nfs/dbraw/zinc/00/97/74/442009774.db2.gz YAEZHRZFZXLXOF-LLVKDONJSA-N 1 2 328.401 1.801 40 0 EDABLO CCS(=O)(=O)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158809 442048358 /nfs/dbraw/zinc/04/83/58/442048358.db2.gz OQQARWNOZGMSOC-UHFFFAOYSA-N 1 2 339.461 1.098 40 0 EDABLO CCS(=O)(=O)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158809 442048362 /nfs/dbraw/zinc/04/83/62/442048362.db2.gz OQQARWNOZGMSOC-UHFFFAOYSA-N 1 2 339.461 1.098 40 0 EDABLO O=C(N[C@@H]1C[N@H+](Cc2ccccn2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185139 442059627 /nfs/dbraw/zinc/05/96/27/442059627.db2.gz AIOCNIPEPJDIFO-BZUAXINKSA-N 1 2 329.425 1.772 40 0 EDABLO O=C(N[C@@H]1C[N@@H+](Cc2ccccn2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000096185139 442059634 /nfs/dbraw/zinc/05/96/34/442059634.db2.gz AIOCNIPEPJDIFO-BZUAXINKSA-N 1 2 329.425 1.772 40 0 EDABLO O=C(c1ccc[nH]1)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096187976 442065403 /nfs/dbraw/zinc/06/54/03/442065403.db2.gz RABNSOPXUXAKLT-CQSZACIVSA-N 1 2 337.383 1.957 40 0 EDABLO CC(C)Nc1[nH+]c2c(cc1C(=O)[O-])CC[N@H+](Cc1cnn(C)c1)CC2 ZINC000096189573 442068497 /nfs/dbraw/zinc/06/84/97/442068497.db2.gz URTRCSOMDJKDDE-UHFFFAOYSA-N 1 2 343.431 1.934 40 0 EDABLO CC(C)Nc1[nH+]c2c(cc1C(=O)[O-])CC[N@@H+](Cc1cnn(C)c1)CC2 ZINC000096189573 442068500 /nfs/dbraw/zinc/06/85/00/442068500.db2.gz URTRCSOMDJKDDE-UHFFFAOYSA-N 1 2 343.431 1.934 40 0 EDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1Cc1cccnc1 ZINC000096201306 442076808 /nfs/dbraw/zinc/07/68/08/442076808.db2.gz OTRZLVJYMAMTEW-CYBMUJFWSA-N 1 2 325.416 1.881 40 0 EDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096201306 442076816 /nfs/dbraw/zinc/07/68/16/442076816.db2.gz OTRZLVJYMAMTEW-CYBMUJFWSA-N 1 2 325.416 1.881 40 0 EDABLO CCCS(=O)(=O)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202285 442077665 /nfs/dbraw/zinc/07/76/65/442077665.db2.gz ZXEDOBDAUNQTGD-INIZCTEOSA-N 1 2 339.461 1.350 40 0 EDABLO Fc1cnc(N2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)nc1 ZINC000096208330 442082928 /nfs/dbraw/zinc/08/29/28/442082928.db2.gz BDZWRXFVXDMUKU-ZDUSSCGKSA-N 1 2 340.362 1.923 40 0 EDABLO O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246504 442101682 /nfs/dbraw/zinc/10/16/82/442101682.db2.gz WWVMGOGSMWXFMT-ZACQAIPSSA-N 1 2 334.391 1.530 40 0 EDABLO O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246504 442101690 /nfs/dbraw/zinc/10/16/90/442101690.db2.gz WWVMGOGSMWXFMT-ZACQAIPSSA-N 1 2 334.391 1.530 40 0 EDABLO O=C(Cc1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246492 442102163 /nfs/dbraw/zinc/10/21/63/442102163.db2.gz RODLSUMYFIKYDV-KURKYZTESA-N 1 2 330.428 1.320 40 0 EDABLO O=C(Cc1ccccc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246492 442102170 /nfs/dbraw/zinc/10/21/70/442102170.db2.gz RODLSUMYFIKYDV-KURKYZTESA-N 1 2 330.428 1.320 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3F)C2)C[N@@H+]1CC1CC1 ZINC000247954697 442874058 /nfs/dbraw/zinc/87/40/58/442874058.db2.gz NNASCGIMDQXNHA-QGZVFWFLSA-N 1 2 347.434 1.237 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccccc3F)C2)C[N@H+]1CC1CC1 ZINC000247954697 442874062 /nfs/dbraw/zinc/87/40/62/442874062.db2.gz NNASCGIMDQXNHA-QGZVFWFLSA-N 1 2 347.434 1.237 40 0 EDABLO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N(C)C)CCO3)s1 ZINC000247972401 442875649 /nfs/dbraw/zinc/87/56/49/442875649.db2.gz HXAPNDAEROTMSQ-AWEZNQCLSA-N 1 2 338.473 1.895 40 0 EDABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](C(=O)NC(C)C)C1 ZINC000248031545 442878549 /nfs/dbraw/zinc/87/85/49/442878549.db2.gz XRKNYQPUGOIBGQ-MRXNPFEDSA-N 1 2 328.416 1.973 40 0 EDABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](C(=O)NC(C)C)C1 ZINC000248031545 442878552 /nfs/dbraw/zinc/87/85/52/442878552.db2.gz XRKNYQPUGOIBGQ-MRXNPFEDSA-N 1 2 328.416 1.973 40 0 EDABLO COCC(=O)N1CCC[C@H](Cc2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257293648 443134272 /nfs/dbraw/zinc/13/42/72/443134272.db2.gz QQNXXIJHJDJTNB-CQSZACIVSA-N 1 2 343.431 1.613 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2cncnc2C)CC[N@@H+]1C ZINC000257297834 443136988 /nfs/dbraw/zinc/13/69/88/443136988.db2.gz RIYMJUKCUSPLDX-MRXNPFEDSA-N 1 2 326.400 1.923 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2cncnc2C)CC[N@H+]1C ZINC000257297834 443136992 /nfs/dbraw/zinc/13/69/92/443136992.db2.gz RIYMJUKCUSPLDX-MRXNPFEDSA-N 1 2 326.400 1.923 40 0 EDABLO CCn1c2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2sc1=O ZINC000225691002 443118616 /nfs/dbraw/zinc/11/86/16/443118616.db2.gz YIDMMKKTMLOOSN-UHFFFAOYSA-N 1 2 341.458 1.019 40 0 EDABLO CCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000257325376 443147900 /nfs/dbraw/zinc/14/79/00/443147900.db2.gz WSSGBGGZPPVZPQ-QGZVFWFLSA-N 1 2 345.403 1.049 40 0 EDABLO Cc1cc(CC2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc[nH+]1 ZINC000257327423 443149189 /nfs/dbraw/zinc/14/91/89/443149189.db2.gz XBGRREDGAFNDIU-MRXNPFEDSA-N 1 2 336.457 1.606 40 0 EDABLO CCn1cc(C[N@H+]2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 ZINC000585112118 448692195 /nfs/dbraw/zinc/69/21/95/448692195.db2.gz LPPJJDBTLPCKLC-KRWDZBQOSA-N 1 2 338.415 1.958 40 0 EDABLO CCn1cc(C[N@@H+]2Cc3cccn3C[C@@H](Oc3ncccn3)C2)cn1 ZINC000585112118 448692202 /nfs/dbraw/zinc/69/22/02/448692202.db2.gz LPPJJDBTLPCKLC-KRWDZBQOSA-N 1 2 338.415 1.958 40 0 EDABLO O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Nc1ccccn1 ZINC000585279863 448729066 /nfs/dbraw/zinc/72/90/66/448729066.db2.gz RDKFFUAGJLHPTF-SJORKVTESA-N 1 2 325.412 1.946 40 0 EDABLO O=C(C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H](O)C1)Nc1ccccn1 ZINC000585279863 448729072 /nfs/dbraw/zinc/72/90/72/448729072.db2.gz RDKFFUAGJLHPTF-SJORKVTESA-N 1 2 325.412 1.946 40 0 EDABLO O=C(C=Cc1c[nH]c[nH+]1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585289016 448734676 /nfs/dbraw/zinc/73/46/76/448734676.db2.gz MGSNINRJZNIMCP-IPLHWJFFSA-N 1 2 327.384 1.256 40 0 EDABLO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000216260808 535818194 /nfs/dbraw/zinc/81/81/94/535818194.db2.gz ZHSKWLKRDLCDJA-OAHLLOKOSA-N 1 2 326.824 1.946 40 0 EDABLO CNc1cnc(C[C@H]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000257246842 536421812 /nfs/dbraw/zinc/42/18/12/536421812.db2.gz IWBDVEOGRYQRCS-HNNXBMFYSA-N 1 2 342.447 1.976 40 0 EDABLO CCOc1ccc2c(c1)c(=O)c(C(=O)N1CC[NH+](CC)CC1)cn2C ZINC000022237352 202081050 /nfs/dbraw/zinc/08/10/50/202081050.db2.gz IUJKBOSWUWOCES-UHFFFAOYSA-N 1 2 343.427 1.715 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3F)CC[N@@H+]2C(C)(C)C1 ZINC000253403928 201187156 /nfs/dbraw/zinc/18/71/56/201187156.db2.gz QQUUOAAJYXOALJ-AWEZNQCLSA-N 1 2 333.407 1.593 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3F)CC[N@H+]2C(C)(C)C1 ZINC000253403928 201187158 /nfs/dbraw/zinc/18/71/58/201187158.db2.gz QQUUOAAJYXOALJ-AWEZNQCLSA-N 1 2 333.407 1.593 40 0 biogenic,in-vitro EDABLO CCOC(=O)N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000023643518 212387706 /nfs/dbraw/zinc/38/77/06/212387706.db2.gz CQHOMNPZOKULPG-CYBMUJFWSA-N 1 2 342.823 1.854 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257202635 244125165 /nfs/dbraw/zinc/12/51/65/244125165.db2.gz AMRURNJMPONYKP-AWEZNQCLSA-N 1 2 326.404 1.154 40 0 EDABLO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2ccc3nccn3n2)C1 ZINC000257202635 244125169 /nfs/dbraw/zinc/12/51/69/244125169.db2.gz AMRURNJMPONYKP-AWEZNQCLSA-N 1 2 326.404 1.154 40 0 EDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH+]1 ZINC000257242760 244248173 /nfs/dbraw/zinc/24/81/73/244248173.db2.gz IEAFQXAVRHVIIT-CYBMUJFWSA-N 1 2 326.400 1.948 40 0 EDABLO COCCNc1cc([C@H]2C[N@@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387738 203212302 /nfs/dbraw/zinc/21/23/02/203212302.db2.gz MOZHCNHNUMCMML-MRXNPFEDSA-N 1 2 336.436 1.396 40 0 EDABLO COCCNc1cc([C@H]2C[N@H+](C3CCOCC3)CCO2)nc(C)n1 ZINC000072387738 203212303 /nfs/dbraw/zinc/21/23/03/203212303.db2.gz MOZHCNHNUMCMML-MRXNPFEDSA-N 1 2 336.436 1.396 40 0 EDABLO Cc1noc(C)c1CC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257235112 244226850 /nfs/dbraw/zinc/22/68/50/244226850.db2.gz GWMDXGYAJPEISN-SFHVURJKSA-N 1 2 344.415 1.377 40 0 EDABLO Cc1nc(N2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cc[nH+]1 ZINC000257260902 244346623 /nfs/dbraw/zinc/34/66/23/244346623.db2.gz LEYSYVIGEJVNAA-LBPRGKRZSA-N 1 2 335.433 1.371 40 0 EDABLO CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@@H]3CCC[N@H+]3C)n2)CC1 ZINC000072387221 278002638 /nfs/dbraw/zinc/00/26/38/278002638.db2.gz HVUJVJLFLKIGSM-INIZCTEOSA-N 1 2 345.447 1.246 40 0 EDABLO CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@@H]3CCC[N@@H+]3C)n2)CC1 ZINC000072387221 278002640 /nfs/dbraw/zinc/00/26/40/278002640.db2.gz HVUJVJLFLKIGSM-INIZCTEOSA-N 1 2 345.447 1.246 40 0 EDABLO O=C(c1cnccn1)N1CCOC2(CCN(c3cccc[nH+]3)CC2)C1 ZINC000096158968 280232464 /nfs/dbraw/zinc/23/24/64/280232464.db2.gz AKZBFULAPPMKIT-UHFFFAOYSA-N 1 2 339.399 1.383 40 0 EDABLO Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000012142564 441127188 /nfs/dbraw/zinc/12/71/88/441127188.db2.gz IPRMIXZIZFSEBG-SUMWQHHRSA-N 1 2 340.431 1.309 40 0 EDABLO Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1Cc1nc(N3CCOCC3)ncc12 ZINC000012142564 441127192 /nfs/dbraw/zinc/12/71/92/441127192.db2.gz IPRMIXZIZFSEBG-SUMWQHHRSA-N 1 2 340.431 1.309 40 0 EDABLO CCN1CCn2c(C)c[nH+]c2C12CCN(S(=O)(=O)CC)CC2 ZINC000096037067 441983379 /nfs/dbraw/zinc/98/33/79/441983379.db2.gz BKCWRFWMRCHWJD-UHFFFAOYSA-N 1 2 326.466 1.168 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076533 442021132 /nfs/dbraw/zinc/02/11/32/442021132.db2.gz RVBPUQXAXKQTHN-GOSISDBHSA-N 1 2 342.447 1.329 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096076533 442021135 /nfs/dbraw/zinc/02/11/35/442021135.db2.gz RVBPUQXAXKQTHN-GOSISDBHSA-N 1 2 342.447 1.329 40 0 EDABLO Cc1ccccc1S(=O)(=O)N1CC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1 ZINC000096219688 442090472 /nfs/dbraw/zinc/09/04/72/442090472.db2.gz IALOJYFQXSJLHM-RDJZCZTQSA-N 1 2 347.440 1.986 40 0 EDABLO Fc1cnc(N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC000096158991 442049153 /nfs/dbraw/zinc/04/91/53/442049153.db2.gz DIDFNFJKBZCQLB-UHFFFAOYSA-N 1 2 329.379 1.887 40 0 EDABLO CCOC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)Cc2ccccc2)C1 ZINC000096187807 442063840 /nfs/dbraw/zinc/06/38/40/442063840.db2.gz RFUNBDRHIIITJV-INIZCTEOSA-N 1 2 349.456 1.881 40 0 EDABLO O=C(c1ccnnc1)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198975 442073381 /nfs/dbraw/zinc/07/33/81/442073381.db2.gz QXZMGVQLIWVQIJ-UHFFFAOYSA-N 1 2 346.394 1.929 40 0 EDABLO O=S(=O)(C1CC1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202287 442078026 /nfs/dbraw/zinc/07/80/26/442078026.db2.gz VIOLYWYLKNJQGS-MRXNPFEDSA-N 1 2 337.445 1.103 40 0 EDABLO c1ccc(C[N@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)nc1 ZINC000096250003 442102586 /nfs/dbraw/zinc/10/25/86/442102586.db2.gz GQGQZMXRLXLLMC-HYVNUMGLSA-N 1 2 326.400 1.930 40 0 EDABLO c1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COc4ncccn4)CC[C@@H]32)nc1 ZINC000096250003 442102592 /nfs/dbraw/zinc/10/25/92/442102592.db2.gz GQGQZMXRLXLLMC-HYVNUMGLSA-N 1 2 326.400 1.930 40 0 EDABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccccn3)C2)OC1)c1ccno1 ZINC000247468222 442855203 /nfs/dbraw/zinc/85/52/03/442855203.db2.gz DJDIIJYRCSWSJD-CQSZACIVSA-N 1 2 342.399 1.481 40 0 EDABLO CC(C)c1ncc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257281458 443129636 /nfs/dbraw/zinc/12/96/36/443129636.db2.gz OPHCKSBLKMWTEV-GOSISDBHSA-N 1 2 341.415 1.366 40 0 EDABLO Cc1ncoc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257284385 443129910 /nfs/dbraw/zinc/12/99/10/443129910.db2.gz PCLYINRJQYLJJU-QGZVFWFLSA-N 1 2 330.388 1.482 40 0 EDABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(S(C)(=O)=O)C2)n1C ZINC000257329600 443150453 /nfs/dbraw/zinc/15/04/53/443150453.db2.gz XKRVAGFSSCYBNE-GFCCVEGCSA-N 1 2 335.433 1.325 40 0 EDABLO OCCCNc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000328995268 444438489 /nfs/dbraw/zinc/43/84/89/444438489.db2.gz JHXPXJYHEXELTF-UHFFFAOYSA-N 1 2 336.399 1.184 40 0 EDABLO Cc1cccc(C[C@@]2(CO)CN(C(=O)Cn3cc[nH+]c3)CCO2)c1 ZINC000585276597 448721868 /nfs/dbraw/zinc/72/18/68/448721868.db2.gz QEQHGWKFWFOZAS-SFHVURJKSA-N 1 2 329.400 1.024 40 0 EDABLO CC(C)NC(=O)[C@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585095873 448678951 /nfs/dbraw/zinc/67/89/51/448678951.db2.gz RCYNPCPGKQCCEL-OAHLLOKOSA-N 1 2 328.372 1.310 40 0 EDABLO O=C(C=Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585291262 448736353 /nfs/dbraw/zinc/73/63/53/448736353.db2.gz OBNPZEACWUCJRH-HFHBSVTDSA-N 1 2 327.384 1.900 40 0 EDABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000036741468 202330297 /nfs/dbraw/zinc/33/02/97/202330297.db2.gz NJUOCHAFXMSVFA-SFHVURJKSA-N 1 2 346.471 1.962 40 0 EDABLO Cc1nc2cc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)ccc2[nH]1 ZINC000257213925 244159911 /nfs/dbraw/zinc/15/99/11/244159911.db2.gz CJSSXVVDUPZGQW-IRXDYDNUSA-N 1 2 339.399 1.906 40 0 EDABLO CNC(=O)c1cnn2c1nccc2[C@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000257225741 244197794 /nfs/dbraw/zinc/19/77/94/244197794.db2.gz FHOJOJOYTPGAOZ-LBPRGKRZSA-N 1 2 337.387 1.181 40 0 EDABLO Cc1cnc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257265559 244362338 /nfs/dbraw/zinc/36/23/38/244362338.db2.gz LZEFFMJXVGBOOM-GOSISDBHSA-N 1 2 341.415 1.284 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCN2C(C)=O)c1 ZINC000257261778 244350486 /nfs/dbraw/zinc/35/04/86/244350486.db2.gz LITYHZVIROZTSL-MRXNPFEDSA-N 1 2 341.415 1.175 40 0 EDABLO Cc1cc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)nc(C)n1 ZINC000257303785 244469211 /nfs/dbraw/zinc/46/92/11/244469211.db2.gz SISNLFOYFLVJPT-INIZCTEOSA-N 1 2 329.404 1.670 40 0 EDABLO CCCS(=O)(=O)N1C[C@@H]2COC[C@]2(CNc2cccc[nH+]2)C1 ZINC000096218408 203873270 /nfs/dbraw/zinc/87/32/70/203873270.db2.gz YYEOVJPOXHIREK-HIFRSBDPSA-N 1 2 325.434 1.182 40 0 EDABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000107723575 204245417 /nfs/dbraw/zinc/24/54/17/204245417.db2.gz HFDXOIOBWDSANI-ZFWWWQNUSA-N 1 2 329.404 1.115 40 0 EDABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@H+]([C@H]1CCOC1)C2 ZINC000107723575 204245419 /nfs/dbraw/zinc/24/54/19/204245419.db2.gz HFDXOIOBWDSANI-ZFWWWQNUSA-N 1 2 329.404 1.115 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329016803 257905355 /nfs/dbraw/zinc/90/53/55/257905355.db2.gz NHOKKDSTWGRRJP-CQSZACIVSA-N 1 2 335.411 1.787 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3nc(C)cc(C)n3n2)[nH+]1 ZINC000257295700 301025472 /nfs/dbraw/zinc/02/54/72/301025472.db2.gz QZMRXRBYMNODDG-CQSZACIVSA-N 1 2 340.387 1.591 40 0 EDABLO Cn1c[nH+]cc1CN1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 ZINC000257269159 303027104 /nfs/dbraw/zinc/02/71/04/303027104.db2.gz MOVBYDLXYNNKAL-SFHVURJKSA-N 1 2 340.431 1.324 40 0 EDABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)cc1 ZINC000012184540 441128262 /nfs/dbraw/zinc/12/82/62/441128262.db2.gz IDEAFPHYESVJNO-UHFFFAOYSA-N 1 2 340.427 1.937 40 0 EDABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)cc1 ZINC000012184540 441128266 /nfs/dbraw/zinc/12/82/66/441128266.db2.gz IDEAFPHYESVJNO-UHFFFAOYSA-N 1 2 340.427 1.937 40 0 EDABLO Cc1[nH+]cc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)n1C ZINC000012121802 441127314 /nfs/dbraw/zinc/12/73/14/441127314.db2.gz DOFSEEMKZDSZON-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)n1C ZINC000012121802 441127319 /nfs/dbraw/zinc/12/73/19/441127319.db2.gz DOFSEEMKZDSZON-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)n1C ZINC000012121802 441127324 /nfs/dbraw/zinc/12/73/24/441127324.db2.gz DOFSEEMKZDSZON-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cn1cc[nH+]c1[C@@H](NC(=O)N1CCOCC1)c1ccc(F)c(F)c1 ZINC000012114983 441127923 /nfs/dbraw/zinc/12/79/23/441127923.db2.gz LMYRKOGURKGBLG-AWEZNQCLSA-N 1 2 336.342 1.830 40 0 EDABLO Cn1nccc1C[NH+]1CC(C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000019745201 441260314 /nfs/dbraw/zinc/26/03/14/441260314.db2.gz HUUJQJZYLXNHSQ-UHFFFAOYSA-N 1 2 339.443 1.201 40 0 EDABLO c1coc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049850 441998187 /nfs/dbraw/zinc/99/81/87/441998187.db2.gz KKBJRIMOPHHOQP-GOSISDBHSA-N 1 2 329.400 1.782 40 0 EDABLO c1coc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)c1 ZINC000096049850 441998192 /nfs/dbraw/zinc/99/81/92/441998192.db2.gz KKBJRIMOPHHOQP-GOSISDBHSA-N 1 2 329.400 1.782 40 0 EDABLO O=c1cc(Cn2cc[nH+]c2)nc2n1CCCN(Cc1cccnc1)C2 ZINC000096059603 442008210 /nfs/dbraw/zinc/00/82/10/442008210.db2.gz DOQXKGWTMUWRMT-UHFFFAOYSA-N 1 2 336.399 1.289 40 0 EDABLO c1coc(C[N@@H+]2CCCn3nnc(CNc4ncccn4)c3C2)c1 ZINC000096084699 442024677 /nfs/dbraw/zinc/02/46/77/442024677.db2.gz KRQGASOQZAWZCG-UHFFFAOYSA-N 1 2 325.376 1.679 40 0 EDABLO c1coc(C[N@H+]2CCCn3nnc(CNc4ncccn4)c3C2)c1 ZINC000096084699 442024683 /nfs/dbraw/zinc/02/46/83/442024683.db2.gz KRQGASOQZAWZCG-UHFFFAOYSA-N 1 2 325.376 1.679 40 0 EDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096158823 442047729 /nfs/dbraw/zinc/04/77/29/442047729.db2.gz IEDGPHTZTLWUAZ-UHFFFAOYSA-N 1 2 342.399 1.577 40 0 EDABLO O=C(c1cnccn1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096158823 442047734 /nfs/dbraw/zinc/04/77/34/442047734.db2.gz IEDGPHTZTLWUAZ-UHFFFAOYSA-N 1 2 342.399 1.577 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccccn2)CCO3)o1 ZINC000096226645 442095081 /nfs/dbraw/zinc/09/50/81/442095081.db2.gz JFIGCPWXBFRAEB-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)o1 ZINC000096226645 442095084 /nfs/dbraw/zinc/09/50/84/442095084.db2.gz JFIGCPWXBFRAEB-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](C)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251990 442104783 /nfs/dbraw/zinc/10/47/83/442104783.db2.gz ZDFBFUWCHJKNNZ-KWCYVHTRSA-N 1 2 336.461 1.039 40 0 EDABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](C)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251990 442104784 /nfs/dbraw/zinc/10/47/84/442104784.db2.gz ZDFBFUWCHJKNNZ-KWCYVHTRSA-N 1 2 336.461 1.039 40 0 EDABLO CS(=O)(=O)NC[C@H]1C[N@H+](CC2CCCCC2)Cc2cncn21 ZINC000247493680 442856846 /nfs/dbraw/zinc/85/68/46/442856846.db2.gz CJGCYZMOADSPGC-HNNXBMFYSA-N 1 2 326.466 1.369 40 0 EDABLO CS(=O)(=O)NC[C@H]1C[N@@H+](CC2CCCCC2)Cc2cncn21 ZINC000247493680 442856852 /nfs/dbraw/zinc/85/68/52/442856852.db2.gz CJGCYZMOADSPGC-HNNXBMFYSA-N 1 2 326.466 1.369 40 0 EDABLO CS(=O)(=O)NC[C@H]1CN(CC2CCCCC2)Cc2c[nH+]cn21 ZINC000247493680 442856858 /nfs/dbraw/zinc/85/68/58/442856858.db2.gz CJGCYZMOADSPGC-HNNXBMFYSA-N 1 2 326.466 1.369 40 0 EDABLO COc1ncccc1CN1Cc2c[nH+]cn2[C@@H](CN2CCCC2=O)C1 ZINC000247839295 442869426 /nfs/dbraw/zinc/86/94/26/442869426.db2.gz KJJWIAUMGVAMIU-MRXNPFEDSA-N 1 2 341.415 1.466 40 0 EDABLO O=C([C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21)N1CCC1 ZINC000247864377 442870674 /nfs/dbraw/zinc/87/06/74/442870674.db2.gz NWJNEHJOHHXDDL-OAHLLOKOSA-N 1 2 340.383 1.401 40 0 EDABLO Cc1cc(C)n(CCCC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)n1 ZINC000257325548 443148110 /nfs/dbraw/zinc/14/81/10/443148110.db2.gz WTKYHWAHBRLYSN-IRXDYDNUSA-N 1 2 345.447 1.701 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(F)cc2)[nH+]1 ZINC000257242786 443126053 /nfs/dbraw/zinc/12/60/53/443126053.db2.gz IEDDNWBIFQIJRY-CYBMUJFWSA-N 1 2 325.365 1.619 40 0 EDABLO Fc1cccnc1N1CC[C@H](Nc2cc(N3CCOCC3)nc[nH+]2)C1 ZINC000302882641 444229353 /nfs/dbraw/zinc/22/93/53/444229353.db2.gz IXBZTAKKHXMSCX-ZDUSSCGKSA-N 1 2 344.394 1.538 40 0 EDABLO Fc1cccnc1N1CC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000302882641 444229356 /nfs/dbraw/zinc/22/93/56/444229356.db2.gz IXBZTAKKHXMSCX-ZDUSSCGKSA-N 1 2 344.394 1.538 40 0 EDABLO Cc1ncc(C(=O)N2CCC3(CO[C@H](C[NH+]4CCOCC4)C3)CC2)[nH]1 ZINC000585104055 448687040 /nfs/dbraw/zinc/68/70/40/448687040.db2.gz KZVUCHAFAFMMEY-HNNXBMFYSA-N 1 2 348.447 1.062 40 0 EDABLO C[C@@H]1c2nnc(COc3cccnc3)n2CC[N@@H+]1C1CCOCC1 ZINC000585097898 448682970 /nfs/dbraw/zinc/68/29/70/448682970.db2.gz SQDMUGJCGWZUML-CYBMUJFWSA-N 1 2 329.404 1.808 40 0 EDABLO C[C@@H]1c2nnc(COc3cccnc3)n2CC[N@H+]1C1CCOCC1 ZINC000585097898 448682974 /nfs/dbraw/zinc/68/29/74/448682974.db2.gz SQDMUGJCGWZUML-CYBMUJFWSA-N 1 2 329.404 1.808 40 0 EDABLO COCC(=O)N1CCn2c(CCOc3cccnc3)c[nH+]c2[C@@H]1C ZINC000585098660 448683416 /nfs/dbraw/zinc/68/34/16/448683416.db2.gz WKBPCENJRJJYGP-ZDUSSCGKSA-N 1 2 330.388 1.449 40 0 EDABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000019500378 202009230 /nfs/dbraw/zinc/00/92/30/202009230.db2.gz JQBWHJLYKPWIAL-QGZVFWFLSA-N 1 2 348.443 1.667 40 0 EDABLO c1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3Cc2cccnc2)nc1 ZINC000253603638 244034317 /nfs/dbraw/zinc/03/43/17/244034317.db2.gz ZXQQEGDPMKIJRO-SJORKVTESA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3Cc2cccnc2)nc1 ZINC000253603638 244034320 /nfs/dbraw/zinc/03/43/20/244034320.db2.gz ZXQQEGDPMKIJRO-SJORKVTESA-N 1 2 325.416 1.741 40 0 EDABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3CC(N)=O)n2)cc1 ZINC000072383618 203211370 /nfs/dbraw/zinc/21/13/70/203211370.db2.gz QNFPZQMCSDIYQH-HNNXBMFYSA-N 1 2 328.372 1.900 40 0 EDABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3CC(N)=O)n2)cc1 ZINC000072383618 203211374 /nfs/dbraw/zinc/21/13/74/203211374.db2.gz QNFPZQMCSDIYQH-HNNXBMFYSA-N 1 2 328.372 1.900 40 0 EDABLO COCCNc1cc([C@H]2CN(Cc3[nH+]ccn3C)CCO2)nc(C)n1 ZINC000072387770 203212031 /nfs/dbraw/zinc/21/20/31/203212031.db2.gz SJTRIDLSGQWTHY-OAHLLOKOSA-N 1 2 346.435 1.150 40 0 EDABLO CNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009937846 441108760 /nfs/dbraw/zinc/10/87/60/441108760.db2.gz QYGPNHBRGNMNFR-LBPRGKRZSA-N 1 2 341.415 1.776 40 0 EDABLO Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 ZINC000014406000 441184896 /nfs/dbraw/zinc/18/48/96/441184896.db2.gz CBGUEZYIXHFZCE-HNNXBMFYSA-N 1 2 341.346 1.172 40 0 EDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000014607403 441186221 /nfs/dbraw/zinc/18/62/21/441186221.db2.gz HLHAWHLEKDKHAY-SWLSCSKDSA-N 1 2 348.374 1.733 40 0 EDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3F)C2=O)C1 ZINC000014607403 441186228 /nfs/dbraw/zinc/18/62/28/441186228.db2.gz HLHAWHLEKDKHAY-SWLSCSKDSA-N 1 2 348.374 1.733 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@@H](COCc2cccnc2)C1 ZINC000096188098 442065287 /nfs/dbraw/zinc/06/52/87/442065287.db2.gz ZQNUIKLIDGWEQC-OAHLLOKOSA-N 1 2 341.415 1.799 40 0 EDABLO O=C(c1cccs1)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196961 442070251 /nfs/dbraw/zinc/07/02/51/442070251.db2.gz CVOYHQQNCCCOCP-UHFFFAOYSA-N 1 2 327.413 1.888 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@]2(CCCN(c3ncc(F)cn3)C2)C1 ZINC000096226572 442095350 /nfs/dbraw/zinc/09/53/50/442095350.db2.gz SWLWKQONLQOFEF-QGZVFWFLSA-N 1 2 346.410 1.221 40 0 EDABLO CCS(=O)(=O)N1CCn2cc(C[N@H+](C)Cc3ccco3)nc2C1 ZINC000096197481 442071755 /nfs/dbraw/zinc/07/17/55/442071755.db2.gz GAMNIEPEHZNTNP-UHFFFAOYSA-N 1 2 338.433 1.273 40 0 EDABLO CCS(=O)(=O)N1CCn2cc(C[N@@H+](C)Cc3ccco3)nc2C1 ZINC000096197481 442071762 /nfs/dbraw/zinc/07/17/62/442071762.db2.gz GAMNIEPEHZNTNP-UHFFFAOYSA-N 1 2 338.433 1.273 40 0 EDABLO Cn1nccc1C(=O)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096209655 442085683 /nfs/dbraw/zinc/08/56/83/442085683.db2.gz WZXNRJKJNUOQRL-RDTXWAMCSA-N 1 2 341.415 1.691 40 0 EDABLO CN(C)C(=O)CO[C@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247948315 442873999 /nfs/dbraw/zinc/87/39/99/442873999.db2.gz BOALMLXOJULREI-LLVKDONJSA-N 1 2 327.475 1.308 40 0 EDABLO COCCNC(=O)[C@H]1C[N@H+](Cc2scnc2C)Cc2ncn(C)c21 ZINC000248029516 442877906 /nfs/dbraw/zinc/87/79/06/442877906.db2.gz KUAHZYKBZDJLTO-LBPRGKRZSA-N 1 2 349.460 1.047 40 0 EDABLO COCCNC(=O)[C@H]1C[N@@H+](Cc2scnc2C)Cc2ncn(C)c21 ZINC000248029516 442877910 /nfs/dbraw/zinc/87/79/10/442877910.db2.gz KUAHZYKBZDJLTO-LBPRGKRZSA-N 1 2 349.460 1.047 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000257286957 443131417 /nfs/dbraw/zinc/13/14/17/443131417.db2.gz PNUWEAUIVYBCBC-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000257286957 443131421 /nfs/dbraw/zinc/13/14/21/443131421.db2.gz PNUWEAUIVYBCBC-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CNC(=O)c3cccs3)C2)nc[nH+]1 ZINC000257309075 443141564 /nfs/dbraw/zinc/14/15/64/443141564.db2.gz TZLAWADSOAUATE-INIZCTEOSA-N 1 2 332.429 1.608 40 0 EDABLO CN1C(=O)C2(C[C@@H]1Cc1cnccn1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257273191 443126559 /nfs/dbraw/zinc/12/65/59/443126559.db2.gz NFPFCTUFJRPNCZ-HNNXBMFYSA-N 1 2 340.431 1.255 40 0 EDABLO Cc1cncc([C@@H]2CCCN2C(=O)C[N@@H+](C)Cc2cccnc2)n1 ZINC000257282574 443129605 /nfs/dbraw/zinc/12/96/05/443129605.db2.gz OUILAYRBZNIFLQ-KRWDZBQOSA-N 1 2 325.416 1.976 40 0 EDABLO Cc1cncc([C@@H]2CCCN2C(=O)C[N@H+](C)Cc2cccnc2)n1 ZINC000257282574 443129606 /nfs/dbraw/zinc/12/96/06/443129606.db2.gz OUILAYRBZNIFLQ-KRWDZBQOSA-N 1 2 325.416 1.976 40 0 EDABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)CNC(C)=O ZINC000257337447 443153043 /nfs/dbraw/zinc/15/30/43/443153043.db2.gz YSUGJIIOTMFEGS-OAHLLOKOSA-N 1 2 342.399 1.420 40 0 EDABLO COc1ccccc1[C@@H]1C[N@H+](Cc2cnn(C)c2)CCN1C(C)=O ZINC000257338965 443154418 /nfs/dbraw/zinc/15/44/18/443154418.db2.gz YZQLZQRVWRWJGQ-KRWDZBQOSA-N 1 2 328.416 1.834 40 0 EDABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cnn(C)c2)CCN1C(C)=O ZINC000257338965 443154423 /nfs/dbraw/zinc/15/44/23/443154423.db2.gz YZQLZQRVWRWJGQ-KRWDZBQOSA-N 1 2 328.416 1.834 40 0 EDABLO COc1ccccc1[C@@H]1C[N@H+](Cc2cncnc2)CCN1C(C)=O ZINC000257339966 443155174 /nfs/dbraw/zinc/15/51/74/443155174.db2.gz ZDYFYJUAJOMISO-KRWDZBQOSA-N 1 2 326.400 1.891 40 0 EDABLO COc1ccccc1[C@@H]1C[N@@H+](Cc2cncnc2)CCN1C(C)=O ZINC000257339966 443155177 /nfs/dbraw/zinc/15/51/77/443155177.db2.gz ZDYFYJUAJOMISO-KRWDZBQOSA-N 1 2 326.400 1.891 40 0 EDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)c(OC)c1 ZINC000329065098 444462313 /nfs/dbraw/zinc/46/23/13/444462313.db2.gz XPKSXWXMUXHHCB-NSHDSACASA-N 1 2 344.415 1.751 40 0 EDABLO CC(C)(C)Nc1nc(NCC[NH+]2CCOCC2)cc(C(F)(F)F)n1 ZINC000328996620 444438278 /nfs/dbraw/zinc/43/82/78/444438278.db2.gz JKQNGTXZCUFAGZ-UHFFFAOYSA-N 1 2 347.385 2.450 40 0 EDABLO CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514288994 448160477 /nfs/dbraw/zinc/16/04/77/448160477.db2.gz HWVNBWPPEFDGTO-QZTJIDSGSA-N 1 2 343.471 1.288 40 0 biogenic,in-vitro EDABLO CC(C)CN1CC2(C1)CN(C(=O)c1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514288994 448160481 /nfs/dbraw/zinc/16/04/81/448160481.db2.gz HWVNBWPPEFDGTO-QZTJIDSGSA-N 1 2 343.471 1.288 40 0 biogenic,in-vitro EDABLO Cc1ccccc1C[C@]1(CO)CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC000585276144 448721689 /nfs/dbraw/zinc/72/16/89/448721689.db2.gz MKXXCVGOXIMWQP-GOSISDBHSA-N 1 2 329.400 1.093 40 0 EDABLO CCOCC[C@H]1Cn2cccc2C[N@H+](CCS(=O)(=O)CC)C1 ZINC000585095030 448677793 /nfs/dbraw/zinc/67/77/93/448677793.db2.gz AMYQAFKALCMHLE-OAHLLOKOSA-N 1 2 328.478 1.781 40 0 EDABLO CCOCC[C@H]1Cn2cccc2C[N@@H+](CCS(=O)(=O)CC)C1 ZINC000585095030 448677799 /nfs/dbraw/zinc/67/77/99/448677799.db2.gz AMYQAFKALCMHLE-OAHLLOKOSA-N 1 2 328.478 1.781 40 0 EDABLO COC(=O)C1CCN(C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000020108904 202031945 /nfs/dbraw/zinc/03/19/45/202031945.db2.gz QIUYGNYIFHVGIU-UHFFFAOYSA-N 1 2 346.427 1.544 40 0 EDABLO O=C(NCCCn1cc[nH+]c1)c1ccc(CN2CCCC2=O)cc1 ZINC000022516300 202086324 /nfs/dbraw/zinc/08/63/24/202086324.db2.gz KVJYUDFJFXSKON-UHFFFAOYSA-N 1 2 326.400 1.826 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000257227658 244204561 /nfs/dbraw/zinc/20/45/61/244204561.db2.gz FQHRPGISOVWOSP-CYBMUJFWSA-N 1 2 335.429 1.682 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CCOc2ccccc2)C1 ZINC000257227658 244204567 /nfs/dbraw/zinc/20/45/67/244204567.db2.gz FQHRPGISOVWOSP-CYBMUJFWSA-N 1 2 335.429 1.682 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)Cn2nnc3ccccc32)[nH+]1 ZINC000257238794 244234809 /nfs/dbraw/zinc/23/48/09/244234809.db2.gz HMODXVIYQOBGDB-AWEZNQCLSA-N 1 2 326.360 1.063 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2Cc2ccnc(N3CCCC3)n2)[nH+]1 ZINC000257238928 244239614 /nfs/dbraw/zinc/23/96/14/244239614.db2.gz HNDUPGBUHLWTTB-HNNXBMFYSA-N 1 2 328.420 1.682 40 0 EDABLO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2cccnc2)C1 ZINC000072362446 203206001 /nfs/dbraw/zinc/20/60/01/203206001.db2.gz OKUFZXYALXWDON-AWEZNQCLSA-N 1 2 341.415 1.932 40 0 EDABLO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2cccnc2)C1 ZINC000072362446 203206004 /nfs/dbraw/zinc/20/60/04/203206004.db2.gz OKUFZXYALXWDON-AWEZNQCLSA-N 1 2 341.415 1.932 40 0 EDABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072360946 203206501 /nfs/dbraw/zinc/20/65/01/203206501.db2.gz POYJQFSUNRFSDF-CQSZACIVSA-N 1 2 340.431 1.897 40 0 EDABLO Cc1cc(Nc2ncccc2C)nc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072360946 203206505 /nfs/dbraw/zinc/20/65/05/203206505.db2.gz POYJQFSUNRFSDF-CQSZACIVSA-N 1 2 340.431 1.897 40 0 EDABLO CNC(=O)CCc1cc(C)nc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000072367036 203208144 /nfs/dbraw/zinc/20/81/44/203208144.db2.gz RTPBICPGFXIRPM-UHFFFAOYSA-N 1 2 342.447 1.566 40 0 EDABLO CNc1cnc(C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000257246843 244258673 /nfs/dbraw/zinc/25/86/73/244258673.db2.gz IWBDVEOGRYQRCS-OAHLLOKOSA-N 1 2 342.447 1.976 40 0 EDABLO O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1Cc1c[nH+]c[nH]1 ZINC000257277875 244397266 /nfs/dbraw/zinc/39/72/66/244397266.db2.gz NZWDIGMBNKQEPJ-QGZVFWFLSA-N 1 2 326.404 1.313 40 0 EDABLO O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1Cc1c[nH]c[nH+]1 ZINC000257277875 244397270 /nfs/dbraw/zinc/39/72/70/244397270.db2.gz NZWDIGMBNKQEPJ-QGZVFWFLSA-N 1 2 326.404 1.313 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2S(=O)(=O)c2ccc(F)c(F)c2)[nH+]1 ZINC000257309478 301025587 /nfs/dbraw/zinc/02/55/87/301025587.db2.gz UBBQSVJKSKKVOP-CYBMUJFWSA-N 1 2 343.355 1.759 40 0 EDABLO CC(=O)c1ccc(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)cc1 ZINC000004815624 440928598 /nfs/dbraw/zinc/92/85/98/440928598.db2.gz IDBSMNWITVOZEX-HRCADAONSA-N 1 2 329.400 1.617 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(C)c3)C2=O)CC1 ZINC000009288886 441104721 /nfs/dbraw/zinc/10/47/21/441104721.db2.gz CQPWUVRQNOGDBD-INIZCTEOSA-N 1 2 344.411 1.902 40 0 EDABLO CNc1ncc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122184 441127403 /nfs/dbraw/zinc/12/74/03/441127403.db2.gz YFFJDYCZXHLFBH-UHFFFAOYSA-N 1 2 349.398 1.634 40 0 EDABLO CNc1ncc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cn1 ZINC000012122184 441127407 /nfs/dbraw/zinc/12/74/07/441127407.db2.gz YFFJDYCZXHLFBH-UHFFFAOYSA-N 1 2 349.398 1.634 40 0 EDABLO Cn1cc[nH+]c1CNC(=O)/C=C/S(=O)(=O)c1ccc(Cl)cc1 ZINC000014000504 441168963 /nfs/dbraw/zinc/16/89/63/441168963.db2.gz TZMBBRJLOZXDGF-RMKNXTFCSA-N 1 2 339.804 1.677 40 0 EDABLO O=C([O-])[C@H](CC(=O)Nc1cccc(O)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000016768148 441232745 /nfs/dbraw/zinc/23/27/45/441232745.db2.gz BLXNZWMFTLUWGY-AWEZNQCLSA-N 1 2 332.360 1.050 40 0 EDABLO C[NH+](C)/C=C/c1nnnn1-c1ccc(I)cc1 ZINC000055120931 441620692 /nfs/dbraw/zinc/62/06/92/441620692.db2.gz SGZNOQTWBIMLDO-BQYQJAHWSA-N 1 2 341.156 1.799 40 0 EDABLO c1cc(C[N@@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049851 441998704 /nfs/dbraw/zinc/99/87/04/441998704.db2.gz SORHIOWFYTYAHG-SFHVURJKSA-N 1 2 329.400 1.782 40 0 EDABLO c1cc(C[N@H+]2CCO[C@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049851 441998708 /nfs/dbraw/zinc/99/87/08/441998708.db2.gz SORHIOWFYTYAHG-SFHVURJKSA-N 1 2 329.400 1.782 40 0 EDABLO CN(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064217 442011254 /nfs/dbraw/zinc/01/12/54/442011254.db2.gz HBUGPYNUZBAVSQ-LPHOPBHVSA-N 1 2 346.475 1.242 40 0 EDABLO CN(C)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064217 442011258 /nfs/dbraw/zinc/01/12/58/442011258.db2.gz HBUGPYNUZBAVSQ-LPHOPBHVSA-N 1 2 346.475 1.242 40 0 EDABLO CN(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064217 442011264 /nfs/dbraw/zinc/01/12/64/442011264.db2.gz HBUGPYNUZBAVSQ-LPHOPBHVSA-N 1 2 346.475 1.242 40 0 EDABLO CN(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)CCC[C@]2(C(=O)[O-])C1 ZINC000096064217 442011266 /nfs/dbraw/zinc/01/12/66/442011266.db2.gz HBUGPYNUZBAVSQ-LPHOPBHVSA-N 1 2 346.475 1.242 40 0 EDABLO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@H+]1Cc1ccncc1 ZINC000096109719 442034421 /nfs/dbraw/zinc/03/44/21/442034421.db2.gz KPUWXSICGHNAMH-AWEZNQCLSA-N 1 2 343.431 1.460 40 0 EDABLO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@@H+]1Cc1ccncc1 ZINC000096109719 442034427 /nfs/dbraw/zinc/03/44/27/442034427.db2.gz KPUWXSICGHNAMH-AWEZNQCLSA-N 1 2 343.431 1.460 40 0 EDABLO Cc1ccc(C(=O)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cn1 ZINC000096196955 442070904 /nfs/dbraw/zinc/07/09/04/442070904.db2.gz AZAMECUDAJNPMT-UHFFFAOYSA-N 1 2 336.399 1.530 40 0 EDABLO O=C(c1cnccn1)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202265 442077998 /nfs/dbraw/zinc/07/79/98/442077998.db2.gz NZOBGUAFUMISBN-GOSISDBHSA-N 1 2 339.399 1.241 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccco2)cn1 ZINC000248158174 442885338 /nfs/dbraw/zinc/88/53/38/442885338.db2.gz WGUDOSHJBBSDQT-ZMSDIMECSA-N 1 2 344.415 1.423 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccco2)cn1 ZINC000248158174 442885342 /nfs/dbraw/zinc/88/53/42/442885342.db2.gz WGUDOSHJBBSDQT-ZMSDIMECSA-N 1 2 344.415 1.423 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257296123 443135332 /nfs/dbraw/zinc/13/53/32/443135332.db2.gz RBJIYDBFIOLQMH-AWEZNQCLSA-N 1 2 338.371 1.513 40 0 EDABLO Cc1nc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)cc(=O)[nH]1 ZINC000257297901 443136366 /nfs/dbraw/zinc/13/63/66/443136366.db2.gz RJHGTCNSNNGDFS-QGZVFWFLSA-N 1 2 345.399 1.435 40 0 EDABLO Cc1nc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)cc(=O)[nH]1 ZINC000257297901 443136371 /nfs/dbraw/zinc/13/63/71/443136371.db2.gz RJHGTCNSNNGDFS-QGZVFWFLSA-N 1 2 345.399 1.435 40 0 EDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3ncc[nH]3)C2)nc[nH+]1 ZINC000257328093 443149205 /nfs/dbraw/zinc/14/92/05/443149205.db2.gz XEBVBCCSIBKWMG-INIZCTEOSA-N 1 2 329.408 1.511 40 0 EDABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)Nc3ncc[nH]3)C2)[nH+]cn1 ZINC000257328093 443149210 /nfs/dbraw/zinc/14/92/10/443149210.db2.gz XEBVBCCSIBKWMG-INIZCTEOSA-N 1 2 329.408 1.511 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1c1cc(=O)n2cc[nH]c2n1 ZINC000257331775 443150741 /nfs/dbraw/zinc/15/07/41/443150741.db2.gz XUFIDGIBOYIAQF-AWEZNQCLSA-N 1 2 340.387 1.775 40 0 EDABLO COc1ccc(C(=O)C[NH2+][C@@]2(C)CCS(=O)(=O)C2)cc1OC ZINC000575425024 447859409 /nfs/dbraw/zinc/85/94/09/447859409.db2.gz WUARCLAMYSSXQE-HNNXBMFYSA-N 1 2 327.402 1.053 40 0 EDABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@H+](Cc1ccco1)C2 ZINC000585110884 448691138 /nfs/dbraw/zinc/69/11/38/448691138.db2.gz UCVWLFWECOEKCB-GFCCVEGCSA-N 1 2 336.342 1.590 40 0 EDABLO Cn1cnc2c1[C@H](C(=O)N1CC(F)(F)C1)C[N@@H+](Cc1ccco1)C2 ZINC000585110884 448691143 /nfs/dbraw/zinc/69/11/43/448691143.db2.gz UCVWLFWECOEKCB-GFCCVEGCSA-N 1 2 336.342 1.590 40 0 EDABLO Cc1ccccc1OC[C@]1(O)COCCN(c2cc[nH+]c(C)n2)C1 ZINC000585275345 448719479 /nfs/dbraw/zinc/71/94/79/448719479.db2.gz CSFQXVJLXRAXRY-GOSISDBHSA-N 1 2 329.400 1.740 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1cn3cc(Cl)ccc3n1)C2 ZINC000585094797 448677313 /nfs/dbraw/zinc/67/73/13/448677313.db2.gz NFAHPRVMKZHTAB-LLVKDONJSA-N 1 2 345.790 1.281 40 0 EDABLO c1cc2n(n1)CC[C@@H](CN1CCOCC1)[N@H+](CC1CCOCC1)C2 ZINC000585097178 448681644 /nfs/dbraw/zinc/68/16/44/448681644.db2.gz IGFBVMQKTOPYPW-KRWDZBQOSA-N 1 2 334.464 1.216 40 0 EDABLO c1cc2n(n1)CC[C@@H](CN1CCOCC1)[N@@H+](CC1CCOCC1)C2 ZINC000585097178 448681646 /nfs/dbraw/zinc/68/16/46/448681646.db2.gz IGFBVMQKTOPYPW-KRWDZBQOSA-N 1 2 334.464 1.216 40 0 EDABLO Cc1nc(N2CCOC[C@@](O)(COc3ccc(F)cc3)C2)cc[nH+]1 ZINC000585277795 448725329 /nfs/dbraw/zinc/72/53/29/448725329.db2.gz XYZIPGWYIQHZNS-QGZVFWFLSA-N 1 2 333.363 1.571 40 0 EDABLO CCn1cncc1C[N@@H+]1CCOC[C@@](O)(COc2ccccc2C)C1 ZINC000585277745 448725539 /nfs/dbraw/zinc/72/55/39/448725539.db2.gz XNJAQJSKDIPDJR-LJQANCHMSA-N 1 2 345.443 1.854 40 0 EDABLO CCn1cncc1C[N@H+]1CCOC[C@@](O)(COc2ccccc2C)C1 ZINC000585277745 448725542 /nfs/dbraw/zinc/72/55/42/448725542.db2.gz XNJAQJSKDIPDJR-LJQANCHMSA-N 1 2 345.443 1.854 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@@H]1C(N)=O ZINC000257218996 535192319 /nfs/dbraw/zinc/19/23/19/535192319.db2.gz DFEVOUPMNRLBIS-OAHLLOKOSA-N 1 2 332.379 1.327 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C[C@@H]1C(N)=O ZINC000257218996 535192327 /nfs/dbraw/zinc/19/23/27/535192327.db2.gz DFEVOUPMNRLBIS-OAHLLOKOSA-N 1 2 332.379 1.327 40 0 EDABLO CO[C@H]1CCN(C(=O)C[N@H+](C)Cc2cccnc2)C[C@@]12CCCO2 ZINC000257233024 536736672 /nfs/dbraw/zinc/73/66/72/536736672.db2.gz GNKLGMMNNJWIOM-WMZOPIPTSA-N 1 2 333.432 1.310 40 0 EDABLO CO[C@H]1CCN(C(=O)C[N@@H+](C)Cc2cccnc2)C[C@@]12CCCO2 ZINC000257233024 536736675 /nfs/dbraw/zinc/73/66/75/536736675.db2.gz GNKLGMMNNJWIOM-WMZOPIPTSA-N 1 2 333.432 1.310 40 0 EDABLO Cn1nnc2c1CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000070503664 203078813 /nfs/dbraw/zinc/07/88/13/203078813.db2.gz BKUYIHCLYZEXOD-AWEZNQCLSA-N 1 2 337.221 1.669 40 0 EDABLO Cn1nnc2c1CC[N@@H+](C[C@H](O)c1ccc(Br)cc1)C2 ZINC000070503664 203078814 /nfs/dbraw/zinc/07/88/14/203078814.db2.gz BKUYIHCLYZEXOD-AWEZNQCLSA-N 1 2 337.221 1.669 40 0 EDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)Cc1cccnc1 ZINC000257204738 244129105 /nfs/dbraw/zinc/12/91/05/244129105.db2.gz AWCVPRANVGOEBE-IBGZPJMESA-N 1 2 340.427 1.509 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000257218171 244175415 /nfs/dbraw/zinc/17/54/15/244175415.db2.gz DCDGLGNMRAEOTL-LBPRGKRZSA-N 1 2 333.392 1.757 40 0 EDABLO NC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000257208856 244142710 /nfs/dbraw/zinc/14/27/10/244142710.db2.gz BNVMVMCYYAENGQ-HNNXBMFYSA-N 1 2 336.399 1.950 40 0 EDABLO NC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1ccccn1 ZINC000257208856 244142714 /nfs/dbraw/zinc/14/27/14/244142714.db2.gz BNVMVMCYYAENGQ-HNNXBMFYSA-N 1 2 336.399 1.950 40 0 EDABLO Cc1[nH+]c[nH]c1CN1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257212478 244154866 /nfs/dbraw/zinc/15/48/66/244154866.db2.gz CDPSDVMPPFYFJV-LBPRGKRZSA-N 1 2 337.449 1.299 40 0 EDABLO C[NH2+]CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nncs3)n2)C1 ZINC000072360916 203206051 /nfs/dbraw/zinc/20/60/51/203206051.db2.gz UQHIWYZANUIZRT-LLVKDONJSA-N 1 2 347.448 1.306 40 0 EDABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257247853 244260102 /nfs/dbraw/zinc/26/01/02/244260102.db2.gz JAVZKCOVXUEWKK-WMZOPIPTSA-N 1 2 334.416 1.558 40 0 EDABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257247853 244260107 /nfs/dbraw/zinc/26/01/07/244260107.db2.gz JAVZKCOVXUEWKK-WMZOPIPTSA-N 1 2 334.416 1.558 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(N)=O ZINC000257249578 244266511 /nfs/dbraw/zinc/26/65/11/244266511.db2.gz JIZBUFABMINMCH-INIZCTEOSA-N 1 2 328.416 1.117 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C(N)=O ZINC000257249578 244266515 /nfs/dbraw/zinc/26/65/15/244266515.db2.gz JIZBUFABMINMCH-INIZCTEOSA-N 1 2 328.416 1.117 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCN2C(C)=O)c1 ZINC000257261777 244350346 /nfs/dbraw/zinc/35/03/46/244350346.db2.gz LITYHZVIROZTSL-INIZCTEOSA-N 1 2 341.415 1.175 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)Cc3ccsc3)C2)nc[nH+]1 ZINC000257276753 244394867 /nfs/dbraw/zinc/39/48/67/244394867.db2.gz NUYQRHHZGHWZTE-QGZVFWFLSA-N 1 2 346.456 1.537 40 0 EDABLO C[C@@H]1CCCN(c2ncccc2C(=O)NCC[NH+]2CCOCC2)C1 ZINC000036740107 132392699 /nfs/dbraw/zinc/39/26/99/132392699.db2.gz SXBAZMBNSAXYFJ-OAHLLOKOSA-N 1 2 332.448 1.380 40 0 EDABLO CN(C)c1ccc(S(=O)(=O)c2ccc3[nH+]c(N)nc(N)c3c2)cc1 ZINC000006162682 440983292 /nfs/dbraw/zinc/98/32/92/440983292.db2.gz BJYNCZFYNGHMGD-UHFFFAOYSA-N 1 2 343.412 1.693 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H](C)O)CC1 ZINC000012116407 441127906 /nfs/dbraw/zinc/12/79/06/441127906.db2.gz UYERNNCUMQKIQY-ZDUSSCGKSA-N 1 2 330.432 1.770 40 0 EDABLO Cc1nn(-c2ccc(C)c(Cl)c2)nc1C(=O)N1CC[NH+](C)CC1 ZINC000059843349 441230600 /nfs/dbraw/zinc/23/06/00/441230600.db2.gz PQUOJSHAIPRZCU-UHFFFAOYSA-N 1 2 333.823 1.925 40 0 EDABLO Cc1cc(CNC(=O)OC(C)(C)C)c[nH+]c1N1CCN(C=O)CC1 ZINC000072222634 441207398 /nfs/dbraw/zinc/20/73/98/441207398.db2.gz SRDWOPSAVUHUOL-UHFFFAOYSA-N 1 2 334.420 1.693 40 0 EDABLO O=C(Nc1cnccn1)[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12 ZINC000096219481 442090902 /nfs/dbraw/zinc/09/09/02/442090902.db2.gz JUJJKYSUHICKFV-GRYCIOLGSA-N 1 2 331.401 1.019 40 0 EDABLO O=C(Nc1cnccn1)[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12 ZINC000096219481 442090907 /nfs/dbraw/zinc/09/09/07/442090907.db2.gz JUJJKYSUHICKFV-GRYCIOLGSA-N 1 2 331.401 1.019 40 0 EDABLO COc1ncccc1C[N@@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225521 442093829 /nfs/dbraw/zinc/09/38/29/442093829.db2.gz UHAFSGGDIWYPRN-SFHVURJKSA-N 1 2 346.431 1.678 40 0 EDABLO COc1ncccc1C[N@H+]1CC[C@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225521 442093833 /nfs/dbraw/zinc/09/38/33/442093833.db2.gz UHAFSGGDIWYPRN-SFHVURJKSA-N 1 2 346.431 1.678 40 0 EDABLO CCS(=O)(=O)N1C[C@H]([N@H+](C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 ZINC000096185993 442060683 /nfs/dbraw/zinc/06/06/83/442060683.db2.gz YIEWUGGMTTUPEO-SOUVJXGZSA-N 1 2 328.434 1.293 40 0 EDABLO CCS(=O)(=O)N1C[C@H]([N@@H+](C)Cc2ccco2)[C@@H]2OCCC[C@@H]21 ZINC000096185993 442060685 /nfs/dbraw/zinc/06/06/85/442060685.db2.gz YIEWUGGMTTUPEO-SOUVJXGZSA-N 1 2 328.434 1.293 40 0 EDABLO Cc1ccsc1C(=O)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096197003 442070604 /nfs/dbraw/zinc/07/06/04/442070604.db2.gz UBCPEMLSAKLAIH-UHFFFAOYSA-N 1 2 342.428 1.591 40 0 EDABLO O=C(c1ccco1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196906 442071103 /nfs/dbraw/zinc/07/11/03/442071103.db2.gz SXUODEICBQSYLF-UHFFFAOYSA-N 1 2 330.388 1.007 40 0 EDABLO COCC(=O)NC[C@H]1C[N@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000248086477 442880128 /nfs/dbraw/zinc/88/01/28/442880128.db2.gz KKSUBAIGONATGX-AWEZNQCLSA-N 1 2 334.445 1.573 40 0 EDABLO COCC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C)s2)Cc2ccnn21 ZINC000248086477 442880133 /nfs/dbraw/zinc/88/01/33/442880133.db2.gz KKSUBAIGONATGX-AWEZNQCLSA-N 1 2 334.445 1.573 40 0 EDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)CCCn1cccn1 ZINC000257290599 443133677 /nfs/dbraw/zinc/13/36/77/443133677.db2.gz QDNSRMJWYDQVKO-SFHVURJKSA-N 1 2 343.431 1.158 40 0 EDABLO Cc1cc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)nc(C)n1 ZINC000257303786 443138863 /nfs/dbraw/zinc/13/88/63/443138863.db2.gz SISNLFOYFLVJPT-MRXNPFEDSA-N 1 2 329.404 1.670 40 0 EDABLO CCc1cc(C(=O)NC[C@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)on1 ZINC000257308105 443140378 /nfs/dbraw/zinc/14/03/78/443140378.db2.gz 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ZINC000585110924 448691569 /nfs/dbraw/zinc/69/15/69/448691569.db2.gz ZNAAVXUVIKVABZ-CYBMUJFWSA-N 1 2 334.445 1.344 40 0 EDABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2cccs2)Cc2ncn(C)c21 ZINC000585110924 448691574 /nfs/dbraw/zinc/69/15/74/448691574.db2.gz ZNAAVXUVIKVABZ-CYBMUJFWSA-N 1 2 334.445 1.344 40 0 EDABLO Cc1cc(N2CCOC[C@](O)(COc3cccc(F)c3)C2)nc[nH+]1 ZINC000585276075 448720822 /nfs/dbraw/zinc/72/08/22/448720822.db2.gz LTBQUVUACOCEPS-KRWDZBQOSA-N 1 2 333.363 1.571 40 0 EDABLO C[C@@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1S(C)(=O)=O ZINC000585097289 448681787 /nfs/dbraw/zinc/68/17/87/448681787.db2.gz IBADELOPJNUAAQ-GFCCVEGCSA-N 1 2 336.417 1.236 40 0 EDABLO Cc1cc(C[N@H+]2CCn3c(COCC4CC4)nnc3C[C@H]2C)n[nH]1 ZINC000585097459 448683094 /nfs/dbraw/zinc/68/30/94/448683094.db2.gz KENNAFCUXPTPBE-CYBMUJFWSA-N 1 2 330.436 1.683 40 0 EDABLO Cc1cc(C[N@@H+]2CCn3c(COCC4CC4)nnc3C[C@H]2C)n[nH]1 ZINC000585097459 448683099 /nfs/dbraw/zinc/68/30/99/448683099.db2.gz KENNAFCUXPTPBE-CYBMUJFWSA-N 1 2 330.436 1.683 40 0 EDABLO CO[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1CC(=O)N(C)C ZINC000585288452 448734353 /nfs/dbraw/zinc/73/43/53/448734353.db2.gz AWXHPEKLESQUAN-GRJAPKLVSA-N 1 2 334.420 1.155 40 0 EDABLO C[NH+]1CC2(C1)CN(C(=O)c1ccc(Cl)cc1)C[C@@H]1COCCN12 ZINC000604381796 449220545 /nfs/dbraw/zinc/22/05/45/449220545.db2.gz OURCUAXJIUKIOX-OAHLLOKOSA-N 1 2 335.835 1.181 40 0 biogenic,in-vitro EDABLO O=C(Cn1cc[nH+]c1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000019335960 202003690 /nfs/dbraw/zinc/00/36/90/202003690.db2.gz PAGJGBTZUBRXIE-UHFFFAOYSA-N 1 2 348.834 1.760 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000020634570 202050841 /nfs/dbraw/zinc/05/08/41/202050841.db2.gz BGHLRQHETZWOMH-OAHLLOKOSA-N 1 2 348.374 1.733 40 0 EDABLO COc1ccc2c(C)cc(=O)oc2c1OC[C@H](O)C[NH+]1CCOCC1 ZINC000031794094 202209630 /nfs/dbraw/zinc/20/96/30/202209630.db2.gz HHRUWTNKMQEHDO-CYBMUJFWSA-N 1 2 349.383 1.182 40 0 EDABLO CN(C)c1cc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc[nH+]1 ZINC000072369435 203209102 /nfs/dbraw/zinc/20/91/02/203209102.db2.gz CIBPTIICQAWPHK-INIZCTEOSA-N 1 2 332.448 1.186 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)cc[nH+]1 ZINC000072369434 203209362 /nfs/dbraw/zinc/20/93/62/203209362.db2.gz CIBPTIICQAWPHK-MRXNPFEDSA-N 1 2 332.448 1.186 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(c3cc(C)ncn3)CC[N@@H+]2C)c1 ZINC000072367680 203207343 /nfs/dbraw/zinc/20/73/43/203207343.db2.gz BGPMWWTZIHJZEM-INIZCTEOSA-N 1 2 325.416 1.638 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(c3cc(C)ncn3)CC[N@H+]2C)c1 ZINC000072367680 203207347 /nfs/dbraw/zinc/20/73/47/203207347.db2.gz BGPMWWTZIHJZEM-INIZCTEOSA-N 1 2 325.416 1.638 40 0 EDABLO CNc1cc([C@@H]2CCCN(S(=O)(=O)c3cn(C)nc3C)C2)cc[nH+]1 ZINC000257250413 244268749 /nfs/dbraw/zinc/26/87/49/244268749.db2.gz JMKIBEISBROJLU-CQSZACIVSA-N 1 2 349.460 1.734 40 0 EDABLO COc1ccc([C@@H]2CN(Cc3[nH+]ccn3C)CCN2C(C)=O)cc1 ZINC000257253953 244275370 /nfs/dbraw/zinc/27/53/70/244275370.db2.gz KAZXTJLDVFLZBK-KRWDZBQOSA-N 1 2 328.416 1.834 40 0 EDABLO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c(C)n1 ZINC000257278544 244401549 /nfs/dbraw/zinc/40/15/49/244401549.db2.gz OCQQBHZMNVKOOM-QGZVFWFLSA-N 1 2 342.447 1.975 40 0 EDABLO CCn1cc(C[N@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c(C)n1 ZINC000257278544 244401553 /nfs/dbraw/zinc/40/15/53/244401553.db2.gz OCQQBHZMNVKOOM-QGZVFWFLSA-N 1 2 342.447 1.975 40 0 EDABLO Cc1ccc(NCc2c[nH+]c3n2CCN(C(=O)CC2CC2)CC3)nn1 ZINC000096197137 203860860 /nfs/dbraw/zinc/86/08/60/203860860.db2.gz PKBXYNVCHGFIQJ-UHFFFAOYSA-N 1 2 340.431 1.778 40 0 EDABLO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccccc1F ZINC000013636683 441162443 /nfs/dbraw/zinc/16/24/43/441162443.db2.gz AWMQZCVBOVJEPD-CQSZACIVSA-N 1 2 334.347 1.297 40 0 EDABLO c1cc(C[N@@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049852 441998083 /nfs/dbraw/zinc/99/80/83/441998083.db2.gz SORHIOWFYTYAHG-GOSISDBHSA-N 1 2 329.400 1.782 40 0 EDABLO c1cc(C[N@H+]2CCO[C@@]3(C2)COCCN(c2cccnc2)C3)co1 ZINC000096049852 441998090 /nfs/dbraw/zinc/99/80/90/441998090.db2.gz SORHIOWFYTYAHG-GOSISDBHSA-N 1 2 329.400 1.782 40 0 EDABLO c1csc(C[N@H+]2CCc3nnc(COc4ccccn4)n3CC2)n1 ZINC000096058876 442006490 /nfs/dbraw/zinc/00/64/90/442006490.db2.gz QDKQGKRWYKWIFH-UHFFFAOYSA-N 1 2 342.428 1.767 40 0 EDABLO c1csc(C[N@@H+]2CCc3nnc(COc4ccccn4)n3CC2)n1 ZINC000096058876 442006495 /nfs/dbraw/zinc/00/64/95/442006495.db2.gz QDKQGKRWYKWIFH-UHFFFAOYSA-N 1 2 342.428 1.767 40 0 EDABLO O=C(c1ccoc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084730 442024163 /nfs/dbraw/zinc/02/41/63/442024163.db2.gz HOEFPNHBLMLLQA-UHFFFAOYSA-N 1 2 329.404 1.903 40 0 EDABLO CCCC(=O)N1CCc2[nH+]cc(CN(C)Cc3cncnc3)n2CC1 ZINC000096197140 442070944 /nfs/dbraw/zinc/07/09/44/442070944.db2.gz KIRIPRASXWECMP-UHFFFAOYSA-N 1 2 342.447 1.490 40 0 EDABLO CCCC(=O)N1CCc2ncc(C[N@H+](C)Cc3cncnc3)n2CC1 ZINC000096197140 442070949 /nfs/dbraw/zinc/07/09/49/442070949.db2.gz KIRIPRASXWECMP-UHFFFAOYSA-N 1 2 342.447 1.490 40 0 EDABLO CCCC(=O)N1CCc2ncc(C[N@@H+](C)Cc3cncnc3)n2CC1 ZINC000096197140 442070952 /nfs/dbraw/zinc/07/09/52/442070952.db2.gz KIRIPRASXWECMP-UHFFFAOYSA-N 1 2 342.447 1.490 40 0 EDABLO O=C(c1cccnc1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202264 442077567 /nfs/dbraw/zinc/07/75/67/442077567.db2.gz XBSVIEHVDTUBIK-IBGZPJMESA-N 1 2 338.411 1.846 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)no1 ZINC000096207868 442081353 /nfs/dbraw/zinc/08/13/53/442081353.db2.gz SKSDNYVWJUYOGP-CRAIPNDOSA-N 1 2 348.447 1.912 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)N2CCCC2)CCO3)no1 ZINC000096207868 442081357 /nfs/dbraw/zinc/08/13/57/442081357.db2.gz SKSDNYVWJUYOGP-CRAIPNDOSA-N 1 2 348.447 1.912 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CC(=O)Nc4cnccn4)[C@H]3C2)no1 ZINC000096218928 442088975 /nfs/dbraw/zinc/08/89/75/442088975.db2.gz AQOJXCXEXQSLIB-BPLDGKMQSA-N 1 2 343.387 1.249 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CC(=O)Nc4cnccn4)[C@H]3C2)no1 ZINC000096218928 442088981 /nfs/dbraw/zinc/08/89/81/442088981.db2.gz AQOJXCXEXQSLIB-BPLDGKMQSA-N 1 2 343.387 1.249 40 0 EDABLO O=C(NCc1cccnc1)[C@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000247521111 442860316 /nfs/dbraw/zinc/86/03/16/442860316.db2.gz XJRBYOVDZUGGAF-QGZVFWFLSA-N 1 2 337.383 1.744 40 0 EDABLO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCC(=O)N(C)C)CCO2 ZINC000247955920 442874047 /nfs/dbraw/zinc/87/40/47/442874047.db2.gz CUZZPLRFBRPBLL-AWEZNQCLSA-N 1 2 338.473 1.895 40 0 EDABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)cc[nH+]1 ZINC000257298506 443136465 /nfs/dbraw/zinc/13/64/65/443136465.db2.gz RLZODJCIKDELPW-ZDUSSCGKSA-N 1 2 343.387 1.908 40 0 EDABLO Cc1[nH+]cc(-c2cccc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1C ZINC000257311267 443142535 /nfs/dbraw/zinc/14/25/35/443142535.db2.gz UITAAVHHDDDCMV-CYBMUJFWSA-N 1 2 334.445 1.930 40 0 EDABLO Cc1nc(C)c(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257316390 443144614 /nfs/dbraw/zinc/14/46/14/443144614.db2.gz VFKCSRUVFOWEBD-KRWDZBQOSA-N 1 2 346.456 1.916 40 0 EDABLO CCCc1nnsc1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257320488 443145751 /nfs/dbraw/zinc/14/57/51/443145751.db2.gz VXBAEZUFXJPTII-MRXNPFEDSA-N 1 2 347.444 1.257 40 0 EDABLO CCOCC(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257337816 443154362 /nfs/dbraw/zinc/15/43/62/443154362.db2.gz YUNJBLCEANQNCL-QGZVFWFLSA-N 1 2 333.432 1.614 40 0 EDABLO Cc1c[nH]nc1[C@H]1COCCN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000257344244 443156830 /nfs/dbraw/zinc/15/68/30/443156830.db2.gz ZWGDMTRSNWZQMC-MRXNPFEDSA-N 1 2 339.399 1.976 40 0 EDABLO CC(C)n1cc(C[N@H+]2Cc3ncn(C)c3[C@H](C(=O)N(C)C)C2)cn1 ZINC000306144964 444288102 /nfs/dbraw/zinc/28/81/02/444288102.db2.gz ZTKXQNUQHIGUJQ-CQSZACIVSA-N 1 2 330.436 1.385 40 0 EDABLO CC(C)n1cc(C[N@@H+]2Cc3ncn(C)c3[C@H](C(=O)N(C)C)C2)cn1 ZINC000306144964 444288104 /nfs/dbraw/zinc/28/81/04/444288104.db2.gz ZTKXQNUQHIGUJQ-CQSZACIVSA-N 1 2 330.436 1.385 40 0 EDABLO C[C@@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000328962506 444425107 /nfs/dbraw/zinc/42/51/07/444425107.db2.gz BIJIBGADPDBUGJ-HNNXBMFYSA-N 1 2 349.438 1.830 40 0 EDABLO C[C@H](CO)Nc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329022134 444448390 /nfs/dbraw/zinc/44/83/90/444448390.db2.gz OKXXYQXDJJFASM-SNVBAGLBSA-N 1 2 328.372 1.463 40 0 EDABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2Oc2ncccc21 ZINC000514289382 448160530 /nfs/dbraw/zinc/16/05/30/448160530.db2.gz JIEDTXMKGFEXSZ-KGLIPLIRSA-N 1 2 349.387 1.144 40 0 biogenic,in-vitro EDABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]2Oc2ncccc21 ZINC000514289382 448160536 /nfs/dbraw/zinc/16/05/36/448160536.db2.gz JIEDTXMKGFEXSZ-KGLIPLIRSA-N 1 2 349.387 1.144 40 0 biogenic,in-vitro EDABLO CC1CCC(C(=O)N2Cc3[nH+]ccn3C[C@H](Cn3cncn3)C2)CC1 ZINC000585110681 448690690 /nfs/dbraw/zinc/69/06/90/448690690.db2.gz IVUUROYXJNZVIM-PCKAHOCUSA-N 1 2 342.447 1.960 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111772 448692295 /nfs/dbraw/zinc/69/22/95/448692295.db2.gz BOOSLRONIUXODG-CYBMUJFWSA-N 1 2 334.445 1.654 40 0 EDABLO COCC(=O)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111772 448692301 /nfs/dbraw/zinc/69/23/01/448692301.db2.gz BOOSLRONIUXODG-CYBMUJFWSA-N 1 2 334.445 1.654 40 0 EDABLO CN(C)c1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[nH+]1 ZINC000585178906 448715339 /nfs/dbraw/zinc/71/53/39/448715339.db2.gz LGJCIFLCPRXFFQ-HNNXBMFYSA-N 1 2 340.493 1.741 40 0 EDABLO CC(C)C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096153 448680357 /nfs/dbraw/zinc/68/03/57/448680357.db2.gz VVTMRWWWFQFGQY-CQSZACIVSA-N 1 2 332.429 1.800 40 0 EDABLO C[C@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1C(=O)C1CC(O)C1 ZINC000585097082 448681242 /nfs/dbraw/zinc/68/12/42/448681242.db2.gz FLCUGODWPKZDCG-YGONEPDPSA-N 1 2 333.432 1.526 40 0 EDABLO Cc1ccc(OC[C@@H]2CCn3nccc3C[N@H+]2CC(=O)N(C)C)cn1 ZINC000585097845 448682248 /nfs/dbraw/zinc/68/22/48/448682248.db2.gz RUWKLVOZGJVDGO-INIZCTEOSA-N 1 2 343.431 1.328 40 0 EDABLO Cc1ccc(OC[C@@H]2CCn3nccc3C[N@@H+]2CC(=O)N(C)C)cn1 ZINC000585097845 448682251 /nfs/dbraw/zinc/68/22/51/448682251.db2.gz RUWKLVOZGJVDGO-INIZCTEOSA-N 1 2 343.431 1.328 40 0 EDABLO O=C(C=Cc1c[nH]c[nH+]1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585287675 448733448 /nfs/dbraw/zinc/73/34/48/448733448.db2.gz AGYANBVWKRCZQG-QQGHKFRYSA-N 1 2 339.395 1.569 40 0 EDABLO Cc1cncc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257213832 244160283 /nfs/dbraw/zinc/16/02/83/244160283.db2.gz CJGFROAQEUZUJR-IBGZPJMESA-N 1 2 340.427 1.889 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)C2CCCC2)CC[N@@H+]1CCc1ccccc1 ZINC000257224726 244193751 /nfs/dbraw/zinc/19/37/51/244193751.db2.gz FDBJZPYRRKYHDK-GOSISDBHSA-N 1 2 343.471 1.678 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)C2CCCC2)CC[N@H+]1CCc1ccccc1 ZINC000257224726 244193754 /nfs/dbraw/zinc/19/37/54/244193754.db2.gz FDBJZPYRRKYHDK-GOSISDBHSA-N 1 2 343.471 1.678 40 0 EDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257224845 244197361 /nfs/dbraw/zinc/19/73/61/244197361.db2.gz FDQQWFAEGWPRLC-QGZVFWFLSA-N 1 2 341.459 1.962 40 0 EDABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257224845 244197366 /nfs/dbraw/zinc/19/73/66/244197366.db2.gz FDQQWFAEGWPRLC-QGZVFWFLSA-N 1 2 341.459 1.962 40 0 EDABLO Cc1cc(N2CCC[C@](CCCc3cnccn3)(C(N)=O)C2)nc[nH+]1 ZINC000072369023 203209304 /nfs/dbraw/zinc/20/93/04/203209304.db2.gz HFUMPZJENWSAKR-SFHVURJKSA-N 1 2 340.431 1.670 40 0 EDABLO CC(C)C(=O)N1CCO[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000072370841 203209397 /nfs/dbraw/zinc/20/93/97/203209397.db2.gz BKZHZPJZVHIXKN-AWEZNQCLSA-N 1 2 327.388 1.677 40 0 EDABLO Cc1cc(N2CCC(c3ncncc3S(C)(=O)=O)CC2)nc[nH+]1 ZINC000072368983 203208612 /nfs/dbraw/zinc/20/86/12/203208612.db2.gz NJDBOTOEQKKZMM-UHFFFAOYSA-N 1 2 333.417 1.363 40 0 EDABLO Cc1cc(N2CCC[C@@H](Cc3cc(C(N)=O)nc(C)n3)C2)nc[nH+]1 ZINC000257250408 244268567 /nfs/dbraw/zinc/26/85/67/244268567.db2.gz JMJUGXYJANWWOO-ZDUSSCGKSA-N 1 2 326.404 1.441 40 0 EDABLO CCn1cc(CN2CC[N@H+](C)[C@H](c3cccc(C(=O)NC)c3)C2)cn1 ZINC000257273840 244387033 /nfs/dbraw/zinc/38/70/33/244387033.db2.gz NILRWMGVWFLIIS-SFHVURJKSA-N 1 2 341.459 1.751 40 0 EDABLO CCn1cc(CN2CC[N@@H+](C)[C@H](c3cccc(C(=O)NC)c3)C2)cn1 ZINC000257273840 244387039 /nfs/dbraw/zinc/38/70/39/244387039.db2.gz NILRWMGVWFLIIS-SFHVURJKSA-N 1 2 341.459 1.751 40 0 EDABLO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@H]2c1cccnc1 ZINC000014607555 207777655 /nfs/dbraw/zinc/77/76/55/207777655.db2.gz YRDYBAYRZAXSPK-OAHLLOKOSA-N 1 2 336.355 1.524 40 0 EDABLO O=C(C[NH+]1CCC(O)(c2cccnc2)CC1)Nc1cccc(O)c1 ZINC000012113217 441127391 /nfs/dbraw/zinc/12/73/91/441127391.db2.gz BILIHWUVVKINNQ-UHFFFAOYSA-N 1 2 327.384 1.709 40 0 EDABLO O=C(CCCOc1ccc(Cl)cc1)NCC[NH+]1CCOCC1 ZINC000014399243 441184804 /nfs/dbraw/zinc/18/48/04/441184804.db2.gz YDMJVNJUMMFPJB-UHFFFAOYSA-N 1 2 326.824 1.947 40 0 EDABLO O=C(CC1CC1)NCc1cn2c(n1)C[N@@H+](Cc1cccnc1)CC2 ZINC000096059443 442006676 /nfs/dbraw/zinc/00/66/76/442006676.db2.gz NQIZZDYTGKXEOA-UHFFFAOYSA-N 1 2 325.416 1.710 40 0 EDABLO O=C(CC1CC1)NCc1cn2c(n1)C[N@H+](Cc1cccnc1)CC2 ZINC000096059443 442006680 /nfs/dbraw/zinc/00/66/80/442006680.db2.gz NQIZZDYTGKXEOA-UHFFFAOYSA-N 1 2 325.416 1.710 40 0 EDABLO C[NH+]1CCN(C(=O)c2n[nH]c3c2CCN(Cc2ccccc2)C3)CC1 ZINC000096066660 442014749 /nfs/dbraw/zinc/01/47/49/442014749.db2.gz SASHALKKTSDVGJ-UHFFFAOYSA-N 1 2 339.443 1.356 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000096082246 442022866 /nfs/dbraw/zinc/02/28/66/442022866.db2.gz LRYSOELNLJUUDQ-DLBZAZTESA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000096082246 442022871 /nfs/dbraw/zinc/02/28/71/442022871.db2.gz LRYSOELNLJUUDQ-DLBZAZTESA-N 1 2 325.416 1.741 40 0 EDABLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(c4ccc(C)nn4)C[C@@H]3C2)cs1 ZINC000096108140 442031712 /nfs/dbraw/zinc/03/17/12/442031712.db2.gz WMCJSORWZSWDNN-GOEBONIOSA-N 1 2 345.472 1.887 40 0 EDABLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(c4ccc(C)nn4)C[C@@H]3C2)cs1 ZINC000096108140 442031716 /nfs/dbraw/zinc/03/17/16/442031716.db2.gz WMCJSORWZSWDNN-GOEBONIOSA-N 1 2 345.472 1.887 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccncc2)CCO3)o1 ZINC000096226651 442094838 /nfs/dbraw/zinc/09/48/38/442094838.db2.gz ANYFGRQSGTXDFW-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)o1 ZINC000096226651 442094845 /nfs/dbraw/zinc/09/48/45/442094845.db2.gz ANYFGRQSGTXDFW-QGZVFWFLSA-N 1 2 329.404 1.644 40 0 EDABLO c1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 ZINC000096226460 442095098 /nfs/dbraw/zinc/09/50/98/442095098.db2.gz KIJGXAHJTQXXAH-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO c1ccc(C[N@H+]2CCO[C@]3(CCCN(c4ncccn4)C3)C2)nc1 ZINC000096226460 442095106 /nfs/dbraw/zinc/09/51/06/442095106.db2.gz KIJGXAHJTQXXAH-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO O=C(CC1CCCC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096188670 442065139 /nfs/dbraw/zinc/06/51/39/442065139.db2.gz AWLOQCMQSKATLX-OAHLLOKOSA-N 1 2 328.420 1.714 40 0 EDABLO Cc1nc(C)n(C[C@H]2Cn3cc[nH+]c3CN(Cc3nccs3)C2)n1 ZINC000096188703 442066292 /nfs/dbraw/zinc/06/62/92/442066292.db2.gz CJZYFFRGOATADR-CQSZACIVSA-N 1 2 343.460 1.880 40 0 EDABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197479 442072247 /nfs/dbraw/zinc/07/22/47/442072247.db2.gz XQUJLIWZIDAMRG-CQSZACIVSA-N 1 2 344.415 1.487 40 0 EDABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)[C@@H]1CCOC1)CC2)Cc1ccco1 ZINC000096197479 442072250 /nfs/dbraw/zinc/07/22/50/442072250.db2.gz XQUJLIWZIDAMRG-CQSZACIVSA-N 1 2 344.415 1.487 40 0 EDABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)C1CC1)CC2)Cc1cccnc1 ZINC000096197494 442072293 /nfs/dbraw/zinc/07/22/93/442072293.db2.gz YGPASEVJIPCGOX-UHFFFAOYSA-N 1 2 325.416 1.662 40 0 EDABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)C1CC1)CC2)Cc1cccnc1 ZINC000096197494 442072296 /nfs/dbraw/zinc/07/22/96/442072296.db2.gz YGPASEVJIPCGOX-UHFFFAOYSA-N 1 2 325.416 1.662 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C1)COCCN(C(=O)c1ccoc1)C2 ZINC000096202081 442077391 /nfs/dbraw/zinc/07/73/91/442077391.db2.gz KSWGWQWCLUOAQK-GOSISDBHSA-N 1 2 344.415 1.378 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C1)COCCN(C(=O)c1ccoc1)C2 ZINC000096202081 442077395 /nfs/dbraw/zinc/07/73/95/442077395.db2.gz KSWGWQWCLUOAQK-GOSISDBHSA-N 1 2 344.415 1.378 40 0 EDABLO CN(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@@H](COCC2CCCC2)C1 ZINC000247923744 442873163 /nfs/dbraw/zinc/87/31/63/442873163.db2.gz CWSPYQXYJHORCI-OAHLLOKOSA-N 1 2 342.465 1.253 40 0 EDABLO Cc1ncsc1C[N@H+]1Cc2ccnn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000247968464 442875532 /nfs/dbraw/zinc/87/55/32/442875532.db2.gz GYASVGNUWPKQFK-AWEZNQCLSA-N 1 2 349.460 1.137 40 0 EDABLO Cc1ncsc1C[N@@H+]1Cc2ccnn2C[C@@H](OCC(=O)N(C)C)C1 ZINC000247968464 442875535 /nfs/dbraw/zinc/87/55/35/442875535.db2.gz GYASVGNUWPKQFK-AWEZNQCLSA-N 1 2 349.460 1.137 40 0 EDABLO Cc1nn(C)c(C)c1CN1CCO[C@@H](c2ncc(C[NH+](C)C)[nH]2)C1 ZINC000257320476 443145995 /nfs/dbraw/zinc/14/59/95/443145995.db2.gz VWZCZLFWFAPAFR-MRXNPFEDSA-N 1 2 332.452 1.395 40 0 EDABLO Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257327231 443148791 /nfs/dbraw/zinc/14/87/91/443148791.db2.gz XAOJUYCSGGXYCU-OAHLLOKOSA-N 1 2 334.383 1.995 40 0 EDABLO CNc1cc(N2CC[C@@](O)(CNC(=O)c3cc(C)cs3)C2)nc[nH+]1 ZINC000257326067 443149083 /nfs/dbraw/zinc/14/90/83/443149083.db2.gz WVQURSPAGGRMIS-MRXNPFEDSA-N 1 2 347.444 1.259 40 0 EDABLO CNc1cc(N2CC[C@@](O)(CNC(=O)c3cc(C)cs3)C2)[nH+]cn1 ZINC000257326067 443149087 /nfs/dbraw/zinc/14/90/87/443149087.db2.gz WVQURSPAGGRMIS-MRXNPFEDSA-N 1 2 347.444 1.259 40 0 EDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccncc1F ZINC000306127570 444285434 /nfs/dbraw/zinc/28/54/34/444285434.db2.gz GCJAXLZLWMKDLH-NSHDSACASA-N 1 2 341.350 1.274 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)no1 ZINC000306133823 444285982 /nfs/dbraw/zinc/28/59/82/444285982.db2.gz MXGJHZISDPHIGC-FVQBIDKESA-N 1 2 347.440 1.921 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccsc4)[C@H]3C2)no1 ZINC000306133823 444285984 /nfs/dbraw/zinc/28/59/84/444285984.db2.gz MXGJHZISDPHIGC-FVQBIDKESA-N 1 2 347.440 1.921 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)no1 ZINC000306142559 444287768 /nfs/dbraw/zinc/28/77/68/444287768.db2.gz XDIPLWFXKSCCBP-NJZAAPMLSA-N 1 2 348.428 1.316 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CNC(=O)c4cscn4)[C@H]3C2)no1 ZINC000306142559 444287770 /nfs/dbraw/zinc/28/77/70/444287770.db2.gz XDIPLWFXKSCCBP-NJZAAPMLSA-N 1 2 348.428 1.316 40 0 EDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)[nH+]cn1)C2 ZINC000329031225 444451352 /nfs/dbraw/zinc/45/13/52/444451352.db2.gz QHWDFPWCMGNIRU-CHWSQXEVSA-N 1 2 328.416 1.885 40 0 EDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)nc[nH+]1)C2 ZINC000329031225 444451355 /nfs/dbraw/zinc/45/13/55/444451355.db2.gz QHWDFPWCMGNIRU-CHWSQXEVSA-N 1 2 328.416 1.885 40 0 EDABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]cn1)C2 ZINC000329047225 444456961 /nfs/dbraw/zinc/45/69/61/444456961.db2.gz UFPHCXBCLZBMRX-UHFFFAOYSA-N 1 2 342.399 1.620 40 0 EDABLO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc[nH+]1)C2 ZINC000329047225 444456963 /nfs/dbraw/zinc/45/69/63/444456963.db2.gz UFPHCXBCLZBMRX-UHFFFAOYSA-N 1 2 342.399 1.620 40 0 EDABLO Cc1cccc(C[C@]2(CO)CN(C(=O)Cc3c[nH+]c[nH]3)CCO2)c1 ZINC000585275609 448718868 /nfs/dbraw/zinc/71/88/68/448718868.db2.gz HHLBLMCKKVAEJU-GOSISDBHSA-N 1 2 329.400 1.093 40 0 EDABLO O=C(NCc1cccs1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096147 448680282 /nfs/dbraw/zinc/68/02/82/448680282.db2.gz VCFPTMVXICUKPW-OAHLLOKOSA-N 1 2 344.440 1.944 40 0 EDABLO COc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000331408589 536869592 /nfs/dbraw/zinc/86/95/92/536869592.db2.gz IWMMFINKABWFDO-LBPRGKRZSA-N 1 2 339.392 1.884 40 0 EDABLO Cc1nccnc1CC[C@H]1COCCN1C(=O)CCCn1cc[nH+]c1 ZINC000257205213 244129973 /nfs/dbraw/zinc/12/99/73/244129973.db2.gz AYCICNYGKBMSML-INIZCTEOSA-N 1 2 343.431 1.622 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 ZINC000257203457 244125783 /nfs/dbraw/zinc/12/57/83/244125783.db2.gz AQDGSQXPNDMXLK-GFCCVEGCSA-N 1 2 327.787 1.245 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 ZINC000257203457 244125792 /nfs/dbraw/zinc/12/57/92/244125792.db2.gz AQDGSQXPNDMXLK-GFCCVEGCSA-N 1 2 327.787 1.245 40 0 EDABLO Cc1ncccc1C(=O)NCc1ccnc([C@@H]2C[N@H+](C)CCO2)n1 ZINC000257214049 244161774 /nfs/dbraw/zinc/16/17/74/244161774.db2.gz CKHKXDSXCOTGPS-HNNXBMFYSA-N 1 2 327.388 1.113 40 0 EDABLO Cc1ncccc1C(=O)NCc1ccnc([C@@H]2C[N@@H+](C)CCO2)n1 ZINC000257214049 244161782 /nfs/dbraw/zinc/16/17/82/244161782.db2.gz CKHKXDSXCOTGPS-HNNXBMFYSA-N 1 2 327.388 1.113 40 0 EDABLO Cc1ccc(CC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257276444 244394955 /nfs/dbraw/zinc/39/49/55/244394955.db2.gz NTUANAHDGDFUQF-KRWDZBQOSA-N 1 2 331.441 1.752 40 0 EDABLO COCC[NH+]1CCN(c2c(C(C)=O)nnn2-c2ccc(F)cc2)CC1 ZINC000019023085 211998682 /nfs/dbraw/zinc/99/86/82/211998682.db2.gz KMEISIXCDGZEJM-UHFFFAOYSA-N 1 2 347.394 1.377 40 0 EDABLO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(N)=O)CC2)C1 ZINC000012365555 211356693 /nfs/dbraw/zinc/35/66/93/211356693.db2.gz VEPDIIDAFWCRAQ-UHFFFAOYSA-N 1 2 331.416 1.056 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCC(=O)OC)CC1 ZINC000012143612 211305062 /nfs/dbraw/zinc/30/50/62/211305062.db2.gz LNQVNIAEKKYMAK-UHFFFAOYSA-N 1 2 344.415 1.562 40 0 EDABLO Cc1cccc(-c2nnc(SCC(=O)N3CC[NH+](C)CC3)n2C)c1 ZINC000097528505 219032970 /nfs/dbraw/zinc/03/29/70/219032970.db2.gz YXLQEVXSJCTIGB-UHFFFAOYSA-N 1 2 345.472 1.657 40 0 EDABLO C[C@@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)[NH+]1CCOCC1 ZINC000019078407 441254420 /nfs/dbraw/zinc/25/44/20/441254420.db2.gz VNSFDOHQQXRYGE-GOEBONIOSA-N 1 2 342.443 1.990 40 0 EDABLO COc1ccccc1-c1nnc(SCC[NH+]2CCOCC2)n1C ZINC000019289294 441256801 /nfs/dbraw/zinc/25/68/01/441256801.db2.gz FSIRXKDHDVAIBH-UHFFFAOYSA-N 1 2 334.445 1.915 40 0 EDABLO c1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3Cc2ccncc2)nc1 ZINC000107803191 441431104 /nfs/dbraw/zinc/43/11/04/441431104.db2.gz LRYSOELNLJUUDQ-SJORKVTESA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000107803191 441431108 /nfs/dbraw/zinc/43/11/08/441431108.db2.gz LRYSOELNLJUUDQ-SJORKVTESA-N 1 2 325.416 1.741 40 0 EDABLO COc1ncccc1C[N@@H+]1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1 ZINC000096043138 441991797 /nfs/dbraw/zinc/99/17/97/441991797.db2.gz VEWYCRUHKOMZBX-IMJJTQAJSA-N 1 2 333.432 1.594 40 0 EDABLO COc1ncccc1C[N@H+]1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1 ZINC000096043138 441991799 /nfs/dbraw/zinc/99/17/99/441991799.db2.gz VEWYCRUHKOMZBX-IMJJTQAJSA-N 1 2 333.432 1.594 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059124 442007128 /nfs/dbraw/zinc/00/71/28/442007128.db2.gz YLSMMWIXFSNIDI-CQSZACIVSA-N 1 2 332.404 1.213 40 0 EDABLO CN(C)C(=O)COC[C@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059124 442007133 /nfs/dbraw/zinc/00/71/33/442007133.db2.gz YLSMMWIXFSNIDI-CQSZACIVSA-N 1 2 332.404 1.213 40 0 EDABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@@H+](Cc1ccsc1)C2 ZINC000096059614 442008085 /nfs/dbraw/zinc/00/80/85/442008085.db2.gz FJKJBWJPVIGDQU-UHFFFAOYSA-N 1 2 342.428 1.351 40 0 EDABLO O=c1cc(Cn2cncn2)nc2n1CCC[N@H+](Cc1ccsc1)C2 ZINC000096059614 442008089 /nfs/dbraw/zinc/00/80/89/442008089.db2.gz FJKJBWJPVIGDQU-UHFFFAOYSA-N 1 2 342.428 1.351 40 0 EDABLO O=C(N[C@H]1C[N@H+](Cc2ccco2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000096110732 442036222 /nfs/dbraw/zinc/03/62/22/442036222.db2.gz ICSZXDNNVFBVFM-JYJNAYRXSA-N 1 2 328.372 1.231 40 0 EDABLO O=C(N[C@H]1C[N@@H+](Cc2ccco2)[C@H]2CCCO[C@@H]12)c1cnccn1 ZINC000096110732 442036224 /nfs/dbraw/zinc/03/62/24/442036224.db2.gz ICSZXDNNVFBVFM-JYJNAYRXSA-N 1 2 328.372 1.231 40 0 EDABLO COCCNC(=O)[C@@H]1c2c([nH+]cn2C)CCN1Cc1ccccc1 ZINC000096147165 442045665 /nfs/dbraw/zinc/04/56/65/442045665.db2.gz OBRRHHCQDCIGBL-KRWDZBQOSA-N 1 2 328.416 1.282 40 0 EDABLO Cc1cc(C(=O)N2CCc3[nH+]cc(Cn4cncn4)n3CC2)c(C)o1 ZINC000096197002 442070635 /nfs/dbraw/zinc/07/06/35/442070635.db2.gz AGMCLXBZACTSIX-UHFFFAOYSA-N 1 2 340.387 1.431 40 0 EDABLO CN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)[nH+]cn1 ZINC000096197536 442071822 /nfs/dbraw/zinc/07/18/22/442071822.db2.gz IANYDHWIDZAULE-UHFFFAOYSA-N 1 2 341.419 1.103 40 0 EDABLO CN(C)c1cc(NCc2cn3c(n2)CN(C(=O)C2CC2)CC3)nc[nH+]1 ZINC000096197536 442071826 /nfs/dbraw/zinc/07/18/26/442071826.db2.gz IANYDHWIDZAULE-UHFFFAOYSA-N 1 2 341.419 1.103 40 0 EDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cccc3c2OCCO3)C1 ZINC000096207486 442081813 /nfs/dbraw/zinc/08/18/13/442081813.db2.gz VPCDXDJTJKXSCR-ZDUSSCGKSA-N 1 2 343.383 1.573 40 0 EDABLO C[C@H]1C[C@H]1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253999 442104502 /nfs/dbraw/zinc/10/45/02/442104502.db2.gz UVLMMARWGAEGAA-QWHCGFSZSA-N 1 2 329.448 1.684 40 0 EDABLO Cn1nc(CNc2ncccn2)c2c1C[N@H+](Cc1ccccn1)CC2 ZINC000096255924 442105748 /nfs/dbraw/zinc/10/57/48/442105748.db2.gz FWNXIPWIYSIJDW-UHFFFAOYSA-N 1 2 335.415 1.776 40 0 EDABLO Cn1nc(CNc2ncccn2)c2c1C[N@@H+](Cc1ccccn1)CC2 ZINC000096255924 442105749 /nfs/dbraw/zinc/10/57/49/442105749.db2.gz FWNXIPWIYSIJDW-UHFFFAOYSA-N 1 2 335.415 1.776 40 0 EDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000247928419 442873712 /nfs/dbraw/zinc/87/37/12/442873712.db2.gz PYWJOIWWRHGCOO-HNNXBMFYSA-N 1 2 328.416 1.943 40 0 EDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)no1 ZINC000247928419 442873714 /nfs/dbraw/zinc/87/37/14/442873714.db2.gz PYWJOIWWRHGCOO-HNNXBMFYSA-N 1 2 328.416 1.943 40 0 EDABLO CN(C)C(=O)C[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000248037558 442878172 /nfs/dbraw/zinc/87/81/72/442878172.db2.gz VBWNRALJOVDDBH-SFHVURJKSA-N 1 2 342.443 1.935 40 0 EDABLO CN(C)C(=O)C[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000248037558 442878177 /nfs/dbraw/zinc/87/81/77/442878177.db2.gz VBWNRALJOVDDBH-SFHVURJKSA-N 1 2 342.443 1.935 40 0 EDABLO CC(C)Oc1ccc([C@H]2CN(S(=O)(=O)N(C)C)CC[N@@H+]2C)cc1 ZINC000257295856 443135934 /nfs/dbraw/zinc/13/59/34/443135934.db2.gz RAEBGPFUOBJCGW-MRXNPFEDSA-N 1 2 341.477 1.569 40 0 EDABLO CC(C)Oc1ccc([C@H]2CN(S(=O)(=O)N(C)C)CC[N@H+]2C)cc1 ZINC000257295856 443135935 /nfs/dbraw/zinc/13/59/35/443135935.db2.gz RAEBGPFUOBJCGW-MRXNPFEDSA-N 1 2 341.477 1.569 40 0 EDABLO Cc1nc(C)c(CC(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)s1 ZINC000257303880 443138488 /nfs/dbraw/zinc/13/84/88/443138488.db2.gz SJDSIGDDFMUXEN-KRWDZBQOSA-N 1 2 346.456 1.455 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cscn3)CC[N@@H+]2C)c1 ZINC000257302727 443138494 /nfs/dbraw/zinc/13/84/94/443138494.db2.gz SEBGJYOIFLWSOP-MRXNPFEDSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cscn3)CC[N@H+]2C)c1 ZINC000257302727 443138497 /nfs/dbraw/zinc/13/84/97/443138497.db2.gz SEBGJYOIFLWSOP-MRXNPFEDSA-N 1 2 330.457 1.991 40 0 EDABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)n1C ZINC000257313572 443143797 /nfs/dbraw/zinc/14/37/97/443143797.db2.gz UTFUJWYRAATKMC-GFCCVEGCSA-N 1 2 335.433 1.325 40 0 EDABLO OCCCNc1nc(NCCc2ccccn2)cc(-c2ccccc2)[nH+]1 ZINC000329056025 444459971 /nfs/dbraw/zinc/45/99/71/444459971.db2.gz VQJBBMLBLSTNPO-UHFFFAOYSA-N 1 2 349.438 1.831 40 0 EDABLO Cc1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)no1 ZINC000585269549 448717899 /nfs/dbraw/zinc/71/78/99/448717899.db2.gz YPGSBDORKYWNRR-GOSISDBHSA-N 1 2 332.400 1.934 40 0 EDABLO Cc1cc(C[N@H+]2CCOC[C@@](O)(COc3ccc(C)cc3)C2)no1 ZINC000585269549 448717903 /nfs/dbraw/zinc/71/79/03/448717903.db2.gz YPGSBDORKYWNRR-GOSISDBHSA-N 1 2 332.400 1.934 40 0 EDABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2C[C@@H]1COCC1CC1 ZINC000585094784 448677413 /nfs/dbraw/zinc/67/74/13/448677413.db2.gz MRQUPRPTEVLIDO-CQSZACIVSA-N 1 2 328.416 1.752 40 0 EDABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 ZINC000585096914 448681667 /nfs/dbraw/zinc/68/16/67/448681667.db2.gz FMQRITKPZUWOND-MRXNPFEDSA-N 1 2 339.443 1.887 40 0 EDABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@@H]1CNC(=O)C1CC1 ZINC000585096914 448681672 /nfs/dbraw/zinc/68/16/72/448681672.db2.gz FMQRITKPZUWOND-MRXNPFEDSA-N 1 2 339.443 1.887 40 0 EDABLO CO[C@]1(COc2cccc(F)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC000585277246 448723943 /nfs/dbraw/zinc/72/39/43/448723943.db2.gz NQIMYXUQBQGEPH-QGZVFWFLSA-N 1 2 333.363 1.719 40 0 EDABLO O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585286274 448732607 /nfs/dbraw/zinc/73/26/07/448732607.db2.gz WETBUERDRLCRBF-RGYTYGDFSA-N 1 2 333.363 1.426 40 0 EDABLO O=C(Cc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585286274 448732613 /nfs/dbraw/zinc/73/26/13/448732613.db2.gz WETBUERDRLCRBF-RGYTYGDFSA-N 1 2 333.363 1.426 40 0 EDABLO CN(C(=O)/C=C/c1ccnn1C)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000585290094 448735655 /nfs/dbraw/zinc/73/56/55/448735655.db2.gz RVVQBTFXWOBOGC-QJGZVHSTSA-N 1 2 329.404 1.243 40 0 EDABLO O=c1[nH]c(=S)[nH]c(O)c1[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000223812592 485807111 /nfs/dbraw/zinc/80/71/11/485807111.db2.gz UXIADGDMGDTMFX-CQSZACIVSA-N 1 2 331.441 1.797 40 0 EDABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)C[NH3+])C3)n2)s1 ZINC000072382993 216184134 /nfs/dbraw/zinc/18/41/34/216184134.db2.gz LLVINHMTQULYPE-SNVBAGLBSA-N 1 2 347.448 1.217 40 0 EDABLO O=C(CCc1nc(-c2cccc(F)c2)no1)NCC[NH+]1CCOCC1 ZINC000225801753 242043891 /nfs/dbraw/zinc/04/38/91/242043891.db2.gz ZDLILOATCMQOOA-UHFFFAOYSA-N 1 2 348.378 1.257 40 0 EDABLO O=C(c1cocn1)N1Cc2c[nH+]cn2[C@@H](COCC2CCOCC2)C1 ZINC000247866926 243468668 /nfs/dbraw/zinc/46/86/68/243468668.db2.gz PADLWVWWOZURAH-OAHLLOKOSA-N 1 2 346.387 1.511 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CC[N@@H+]1CCc1ccccc1 ZINC000257224727 244194060 /nfs/dbraw/zinc/19/40/60/244194060.db2.gz FDBJZPYRRKYHDK-SFHVURJKSA-N 1 2 343.471 1.678 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CC[N@H+]1CCc1ccccc1 ZINC000257224727 244194069 /nfs/dbraw/zinc/19/40/69/244194069.db2.gz FDBJZPYRRKYHDK-SFHVURJKSA-N 1 2 343.471 1.678 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)COc2cccnc2)CC[N@@H+]1C ZINC000257230293 244210108 /nfs/dbraw/zinc/21/01/08/244210108.db2.gz GBPMRHDQTJSIJY-KRWDZBQOSA-N 1 2 341.411 1.984 40 0 EDABLO COc1ccccc1[C@@H]1CN(C(=O)COc2cccnc2)CC[N@H+]1C ZINC000257230293 244210117 /nfs/dbraw/zinc/21/01/17/244210117.db2.gz GBPMRHDQTJSIJY-KRWDZBQOSA-N 1 2 341.411 1.984 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257236326 244229997 /nfs/dbraw/zinc/22/99/97/244229997.db2.gz HBPRHQSNTUOHQZ-QGZVFWFLSA-N 1 2 328.420 1.721 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2c[nH]c[nH+]2)n1 ZINC000257236326 244230004 /nfs/dbraw/zinc/23/00/04/244230004.db2.gz HBPRHQSNTUOHQZ-QGZVFWFLSA-N 1 2 328.420 1.721 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCN2C(C)=O)c1 ZINC000257237448 244233816 /nfs/dbraw/zinc/23/38/16/244233816.db2.gz HGMQPOQICZIANG-KRWDZBQOSA-N 1 2 341.415 1.175 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCN2C(C)=O)c1 ZINC000257237448 244233821 /nfs/dbraw/zinc/23/38/21/244233821.db2.gz HGMQPOQICZIANG-KRWDZBQOSA-N 1 2 341.415 1.175 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)[nH]c(=O)n1 ZINC000257251349 244270546 /nfs/dbraw/zinc/27/05/46/244270546.db2.gz JQJOWEZVSRJMSH-CQSZACIVSA-N 1 2 341.415 1.971 40 0 EDABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cnccn3)C2)cc1CO ZINC000257258634 244291227 /nfs/dbraw/zinc/29/12/27/244291227.db2.gz KUWFBQJHIRRYIT-GOSISDBHSA-N 1 2 329.400 1.941 40 0 EDABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cnccn3)C2)cc1CO ZINC000257258634 244291235 /nfs/dbraw/zinc/29/12/35/244291235.db2.gz KUWFBQJHIRRYIT-GOSISDBHSA-N 1 2 329.400 1.941 40 0 EDABLO Cc1c(C(=O)N2CC[NH+](C)CC2)nnc2c(-c3ccccc3)cnn21 ZINC000019817074 212072231 /nfs/dbraw/zinc/07/22/31/212072231.db2.gz FIOCMOVTJAYJMV-UHFFFAOYSA-N 1 2 336.399 1.487 40 0 EDABLO C[C@H](CNC(=O)CCc1cn(C)c2ccccc12)[NH+]1CCOCC1 ZINC000019657537 212053870 /nfs/dbraw/zinc/05/38/70/212053870.db2.gz ONPDJFPWWKIQBM-OAHLLOKOSA-N 1 2 329.444 1.948 40 0 EDABLO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCOCC3)ccc2N1C(=O)C1CC1 ZINC000019497839 212032625 /nfs/dbraw/zinc/03/26/25/212032625.db2.gz JYLDVVWUAVSJSG-SCLBCKFNSA-N 1 2 330.428 1.740 40 0 EDABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1Cl ZINC000010339067 211165967 /nfs/dbraw/zinc/16/59/67/211165967.db2.gz LUZJQLVNYYDAPC-MRVPVSSYSA-N 1 2 346.778 1.667 40 0 EDABLO c1cnc(N2CC[C@@H]3OCC[N@@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000107803187 441431204 /nfs/dbraw/zinc/43/12/04/441431204.db2.gz LRYSOELNLJUUDQ-IRXDYDNUSA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@@H]3OCC[N@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000107803187 441431207 /nfs/dbraw/zinc/43/12/07/441431207.db2.gz LRYSOELNLJUUDQ-IRXDYDNUSA-N 1 2 325.416 1.741 40 0 EDABLO CCN1C(=O)[C@@H]2[C@H](c3cccs3)[NH2+][C@](CC)(C(=O)OC)[C@H]2C1=O ZINC000033938621 441598470 /nfs/dbraw/zinc/59/84/70/441598470.db2.gz GZXCRRNMERKSMR-BUWBCJGYSA-N 1 2 336.413 1.335 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)oc1C ZINC000096185893 442060955 /nfs/dbraw/zinc/06/09/55/442060955.db2.gz FQKLFJJTMSNSLE-KKUMJFAQSA-N 1 2 328.434 1.177 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)oc1C ZINC000096185893 442060959 /nfs/dbraw/zinc/06/09/59/442060959.db2.gz FQKLFJJTMSNSLE-KKUMJFAQSA-N 1 2 328.434 1.177 40 0 EDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@H](Cn2ncccc2=O)C1 ZINC000096188731 442067183 /nfs/dbraw/zinc/06/71/83/442067183.db2.gz GQBSZIIOGDSYOS-ZDUSSCGKSA-N 1 2 339.355 1.005 40 0 EDABLO O=C(c1cnccn1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202266 442078212 /nfs/dbraw/zinc/07/82/12/442078212.db2.gz NZOBGUAFUMISBN-SFHVURJKSA-N 1 2 339.399 1.241 40 0 EDABLO COC[C@@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096208131 442083107 /nfs/dbraw/zinc/08/31/07/442083107.db2.gz ZBEBNMXGPAFQHA-GFCCVEGCSA-N 1 2 339.392 1.489 40 0 EDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)cc1 ZINC000096252998 442104692 /nfs/dbraw/zinc/10/46/92/442104692.db2.gz LTRKTKUFGPTYDI-FGTMMUONSA-N 1 2 330.428 1.811 40 0 EDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCC4CC4)[C@@H](C2)O3)cc1 ZINC000096252998 442104695 /nfs/dbraw/zinc/10/46/95/442104695.db2.gz LTRKTKUFGPTYDI-FGTMMUONSA-N 1 2 330.428 1.811 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247310812 442846729 /nfs/dbraw/zinc/84/67/29/442846729.db2.gz INRWYTLABDWXHK-ZDUSSCGKSA-N 1 2 347.444 1.314 40 0 EDABLO O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1 ZINC000247510966 442858727 /nfs/dbraw/zinc/85/87/27/442858727.db2.gz SXSUUYVHKASKHN-CRAIPNDOSA-N 1 2 344.415 1.098 40 0 EDABLO O=C(NC[C@H]1CCCO1)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1 ZINC000247510966 442858732 /nfs/dbraw/zinc/85/87/32/442858732.db2.gz SXSUUYVHKASKHN-CRAIPNDOSA-N 1 2 344.415 1.098 40 0 EDABLO CN(C)C(=O)[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000248016068 442876973 /nfs/dbraw/zinc/87/69/73/442876973.db2.gz QFXIKUDRDQCCHX-AWEZNQCLSA-N 1 2 328.372 1.257 40 0 EDABLO Cc1ccc(C[N@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1 ZINC000257285554 443131790 /nfs/dbraw/zinc/13/17/90/443131790.db2.gz PHSASOUSMCTRTJ-SFHVURJKSA-N 1 2 325.416 1.760 40 0 EDABLO Cc1ccc(C[N@@H+]2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cn1 ZINC000257285554 443131794 /nfs/dbraw/zinc/13/17/94/443131794.db2.gz PHSASOUSMCTRTJ-SFHVURJKSA-N 1 2 325.416 1.760 40 0 EDABLO CCn1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257292329 443134590 /nfs/dbraw/zinc/13/45/90/443134590.db2.gz QKZWPFLYPRPQFR-QGZVFWFLSA-N 1 2 329.404 1.059 40 0 EDABLO CCc1[nH]c(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)c(C)[nH+]1 ZINC000257292544 443134847 /nfs/dbraw/zinc/13/48/47/443134847.db2.gz QMAPOWRFDOUQAV-HZPDHXFCSA-N 1 2 345.399 1.603 40 0 EDABLO CCc1[nH]c(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)c(C)[nH+]1 ZINC000257292544 443134850 /nfs/dbraw/zinc/13/48/50/443134850.db2.gz QMAPOWRFDOUQAV-HZPDHXFCSA-N 1 2 345.399 1.603 40 0 EDABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2c2cc(C)[nH+]cn2)n1 ZINC000257306626 443140723 /nfs/dbraw/zinc/14/07/23/443140723.db2.gz SVCDBXNAJSQMQB-KRWDZBQOSA-N 1 2 326.404 1.759 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cncs3)C2)nc[nH+]1 ZINC000257311947 443142228 /nfs/dbraw/zinc/14/22/28/443142228.db2.gz ULSQUDVCXUZWFE-OAHLLOKOSA-N 1 2 333.417 1.003 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2n[nH]c(=O)c3ccccc32)[nH+]1 ZINC000257330481 443150397 /nfs/dbraw/zinc/15/03/97/443150397.db2.gz XOPUBQXWRCWOSY-CYBMUJFWSA-N 1 2 339.355 1.168 40 0 EDABLO COc1ccccc1C[N@H+]1Cc2ncnn2C[C@H](C(=O)N(C)C)C1 ZINC000306136828 444287198 /nfs/dbraw/zinc/28/71/98/444287198.db2.gz QENNQJFYGVFCHS-CQSZACIVSA-N 1 2 329.404 1.007 40 0 EDABLO COc1ccccc1C[N@@H+]1Cc2ncnn2C[C@H](C(=O)N(C)C)C1 ZINC000306136828 444287199 /nfs/dbraw/zinc/28/71/99/444287199.db2.gz QENNQJFYGVFCHS-CQSZACIVSA-N 1 2 329.404 1.007 40 0 EDABLO Cn1nccc1C(=O)N1C[C@@H]2c3[nH+]cc(-c4ccncc4)n3C[C@@H]2C1 ZINC000306144583 444288291 /nfs/dbraw/zinc/28/82/91/444288291.db2.gz ZJKYPKDQTDJOGM-KBPBESRZSA-N 1 2 334.383 1.548 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ccccn2)cn1 ZINC000585102585 448686060 /nfs/dbraw/zinc/68/60/60/448686060.db2.gz AOFIUTQPWDVVFY-MRXNPFEDSA-N 1 2 328.416 1.875 40 0 EDABLO O=S(=O)(NCC[C@H]1CCOC12C[NH+](Cc1ccoc1)C2)C1CC1 ZINC000585103016 448687112 /nfs/dbraw/zinc/68/71/12/448687112.db2.gz OECSJVVPMHUJQX-AWEZNQCLSA-N 1 2 340.445 1.342 40 0 EDABLO CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275364 448719199 /nfs/dbraw/zinc/71/91/99/448719199.db2.gz AVYDIUDABUZRQP-SFHVURJKSA-N 1 2 329.400 1.957 40 0 EDABLO COCCN1CC[C@]2(C[N@H+](Cc3cccnc3)CC(F)(F)C2)C1=O ZINC000585093205 448676172 /nfs/dbraw/zinc/67/61/72/448676172.db2.gz JDGOBJWADGKYBA-INIZCTEOSA-N 1 2 339.386 1.788 40 0 EDABLO COCCN1CC[C@]2(C[N@@H+](Cc3cccnc3)CC(F)(F)C2)C1=O ZINC000585093205 448676177 /nfs/dbraw/zinc/67/61/77/448676177.db2.gz JDGOBJWADGKYBA-INIZCTEOSA-N 1 2 339.386 1.788 40 0 EDABLO Cn1cnc2c1C[C@H](CNS(C)(=O)=O)[N@H+](CC1CCCCC1)C2 ZINC000585094988 448677970 /nfs/dbraw/zinc/67/79/70/448677970.db2.gz YHXWYKMUOJCURQ-CQSZACIVSA-N 1 2 340.493 1.276 40 0 EDABLO Cn1cnc2c1C[C@H](CNS(C)(=O)=O)[N@@H+](CC1CCCCC1)C2 ZINC000585094988 448677976 /nfs/dbraw/zinc/67/79/76/448677976.db2.gz YHXWYKMUOJCURQ-CQSZACIVSA-N 1 2 340.493 1.276 40 0 EDABLO O=C(NCC1CC1)[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2c[nH+]cn21 ZINC000585096086 448680405 /nfs/dbraw/zinc/68/04/05/448680405.db2.gz ZVZMVHKZGWHVIF-INIZCTEOSA-N 1 2 340.383 1.312 40 0 EDABLO O=C1[C@@H]2Cc3ccccc3CN2C(=S)N1CCC[NH+]1CCOCC1 ZINC000036611067 213100978 /nfs/dbraw/zinc/10/09/78/213100978.db2.gz LPRNXZANTFQQPP-INIZCTEOSA-N 1 2 345.468 1.263 40 0 EDABLO Cc1cc(Nc2nncs2)nc([C@@H]2CCCN(C(=O)C[NH3+])C2)n1 ZINC000072360887 216166770 /nfs/dbraw/zinc/16/67/70/216166770.db2.gz NEHQJTZZBVHVTA-SNVBAGLBSA-N 1 2 333.421 1.045 40 0 EDABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000072379187 216181760 /nfs/dbraw/zinc/18/17/60/216181760.db2.gz BOZFSEWVCDOYKV-CQSZACIVSA-N 1 2 349.460 1.773 40 0 EDABLO CC(C)CCOC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCC(C)C ZINC000022584270 212308937 /nfs/dbraw/zinc/30/89/37/212308937.db2.gz OXAYASBURPDVLO-ROUUACIJSA-N 1 2 348.528 1.013 40 0 EDABLO Cc1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257217385 244169842 /nfs/dbraw/zinc/16/98/42/244169842.db2.gz CYSJYVVMMKPAOM-QGZVFWFLSA-N 1 2 330.388 1.482 40 0 EDABLO O=C(N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O)C1(c2ccccc2F)CC1 ZINC000257269658 244374732 /nfs/dbraw/zinc/37/47/32/244374732.db2.gz MQVGJRRDVKYKFL-BZUAXINKSA-N 1 2 329.375 1.935 40 0 EDABLO CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257262871 244352028 /nfs/dbraw/zinc/35/20/28/244352028.db2.gz LNHYKQOJLVTYRI-IIAWOOMASA-N 1 2 343.383 1.491 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1c1cc(=O)n2nccc2[nH]1 ZINC000257278120 244397599 /nfs/dbraw/zinc/39/75/99/244397599.db2.gz OAWWDBCVWSMYGQ-CQSZACIVSA-N 1 2 340.387 1.775 40 0 EDABLO COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257335827 244560802 /nfs/dbraw/zinc/56/08/02/244560802.db2.gz YMAYRGVTHKIOOH-JFIYKMOQSA-N 1 2 329.400 1.705 40 0 EDABLO C[C@@H](CNC(=O)c1ccc(Oc2ncccn2)cc1)[NH+]1CCOCC1 ZINC000019456510 212029389 /nfs/dbraw/zinc/02/93/89/212029389.db2.gz WBYMRXXETWXWAG-AWEZNQCLSA-N 1 2 342.399 1.719 40 0 EDABLO COc1ccccc1[C@H](CNS(=O)(=O)N1CCCC1)[NH+](C)C ZINC000012362302 211355796 /nfs/dbraw/zinc/35/57/96/211355796.db2.gz BMCUFKPRRRKMFK-AWEZNQCLSA-N 1 2 327.450 1.228 40 0 EDABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1 ZINC000085436230 286306023 /nfs/dbraw/zinc/30/60/23/286306023.db2.gz YIOWRXAYGOARNB-MRXNPFEDSA-N 1 2 346.431 1.191 40 0 biogenic,in-vitro EDABLO COc1ccc(C[N@H+]2CCN3C(=O)N(C4CCOCC4)C[C@H]3C2)cn1 ZINC000085436230 286306024 /nfs/dbraw/zinc/30/60/24/286306024.db2.gz YIOWRXAYGOARNB-MRXNPFEDSA-N 1 2 346.431 1.191 40 0 biogenic,in-vitro EDABLO Cn1cccc1C(=O)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096066854 294379818 /nfs/dbraw/zinc/37/98/18/294379818.db2.gz HPQYKAKXJYRXGM-HNNXBMFYSA-N 1 2 328.416 1.920 40 0 EDABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnc(N2CCOCC2)nc1 ZINC000019719335 441259569 /nfs/dbraw/zinc/25/95/69/441259569.db2.gz QULVQVDOXREFDY-UHFFFAOYSA-N 1 2 345.447 1.975 40 0 EDABLO Cc1ccc(C[NH2+]C2(Cc3cc(CN4CCOCC4)on3)COC2)o1 ZINC000067898404 441693889 /nfs/dbraw/zinc/69/38/89/441693889.db2.gz VUZQBOHZHUGTDC-UHFFFAOYSA-N 1 2 347.415 1.510 40 0 biogenic,in-vitro EDABLO CS(=O)(=O)c1ccc(O[C@H]2COCC[N@@H+](C3CCC3)C2)cc1 ZINC000077265871 441744223 /nfs/dbraw/zinc/74/42/23/441744223.db2.gz DLODKJLMQXMVPD-OAHLLOKOSA-N 1 2 325.430 1.722 40 0 biogenic,in-vitro EDABLO CS(=O)(=O)c1ccc(O[C@H]2COCC[N@H+](C3CCC3)C2)cc1 ZINC000077265871 441744227 /nfs/dbraw/zinc/74/42/27/441744227.db2.gz DLODKJLMQXMVPD-OAHLLOKOSA-N 1 2 325.430 1.722 40 0 biogenic,in-vitro EDABLO COC[C@@H]1CN(C(=O)COc2ccccc2C)Cc2[nH+]cn(C)c21 ZINC000096044808 441992438 /nfs/dbraw/zinc/99/24/38/441992438.db2.gz JNERVBWJDORNNA-AWEZNQCLSA-N 1 2 329.400 1.880 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cn1 ZINC000096042301 441990013 /nfs/dbraw/zinc/99/00/13/441990013.db2.gz QYZWTTCZZVOWSZ-HRCADAONSA-N 1 2 332.379 1.765 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)cn1 ZINC000096042301 441990016 /nfs/dbraw/zinc/99/00/16/441990016.db2.gz QYZWTTCZZVOWSZ-HRCADAONSA-N 1 2 332.379 1.765 40 0 EDABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(S(C)(=O)=O)CC2 ZINC000096083827 442024711 /nfs/dbraw/zinc/02/47/11/442024711.db2.gz HHNJVPUPKMSYLZ-UHFFFAOYSA-N 1 2 339.465 1.231 40 0 EDABLO c1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)s1 ZINC000096226623 442094687 /nfs/dbraw/zinc/09/46/87/442094687.db2.gz QDRNBXMJARTTNP-INIZCTEOSA-N 1 2 331.445 1.805 40 0 EDABLO c1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)s1 ZINC000096226623 442094690 /nfs/dbraw/zinc/09/46/90/442094690.db2.gz QDRNBXMJARTTNP-INIZCTEOSA-N 1 2 331.445 1.805 40 0 EDABLO Cc1occc1C(=O)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC000096196950 442071068 /nfs/dbraw/zinc/07/10/68/442071068.db2.gz UFVQELLBWHMOBK-UHFFFAOYSA-N 1 2 325.372 1.728 40 0 EDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1Cc1ccncc1 ZINC000096201308 442076175 /nfs/dbraw/zinc/07/61/75/442076175.db2.gz BGTLUFYHDGSOCE-CYBMUJFWSA-N 1 2 325.416 1.881 40 0 EDABLO C[C@@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096201308 442076180 /nfs/dbraw/zinc/07/61/80/442076180.db2.gz BGTLUFYHDGSOCE-CYBMUJFWSA-N 1 2 325.416 1.881 40 0 EDABLO CCCS(=O)(=O)N1CCOC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202286 442077794 /nfs/dbraw/zinc/07/77/94/442077794.db2.gz ZXEDOBDAUNQTGD-MRXNPFEDSA-N 1 2 339.461 1.350 40 0 EDABLO CCS(=O)(=O)N1CCOC[C@@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096202228 442077807 /nfs/dbraw/zinc/07/78/07/442077807.db2.gz IWZQJXMHCFCDOB-CQSZACIVSA-N 1 2 345.490 1.017 40 0 EDABLO CCS(=O)(=O)N1CCOC[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096202228 442077812 /nfs/dbraw/zinc/07/78/12/442077812.db2.gz IWZQJXMHCFCDOB-CQSZACIVSA-N 1 2 345.490 1.017 40 0 EDABLO COCC(=O)N1Cc2c[nH+]cn2C[C@H](COCc2ccncc2)C1 ZINC000096208319 442083621 /nfs/dbraw/zinc/08/36/21/442083621.db2.gz AQZCQGUNKDCQIN-OAHLLOKOSA-N 1 2 330.388 1.100 40 0 EDABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOCC(=O)N(C)C)n1 ZINC000248046094 442878979 /nfs/dbraw/zinc/87/89/79/442878979.db2.gz WKSHTQNCMKTFSV-MRXNPFEDSA-N 1 2 347.459 1.476 40 0 EDABLO CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(C(F)(F)F)n1 ZINC000329066907 444463024 /nfs/dbraw/zinc/46/30/24/444463024.db2.gz YEPLRDANWIOJRB-LLVKDONJSA-N 1 2 347.385 1.294 40 0 EDABLO CC(C)C(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12 ZINC000514290445 448162398 /nfs/dbraw/zinc/16/23/98/448162398.db2.gz ZWYWQHNXKXUGRA-QZTJIDSGSA-N 1 2 343.471 1.174 40 0 biogenic,in-vitro EDABLO CC(C)C(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@@H+]12 ZINC000514290445 448162401 /nfs/dbraw/zinc/16/24/01/448162401.db2.gz ZWYWQHNXKXUGRA-QZTJIDSGSA-N 1 2 343.471 1.174 40 0 biogenic,in-vitro EDABLO CCn1cc(C[N@@H+]2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585275361 448718933 /nfs/dbraw/zinc/71/89/33/448718933.db2.gz DBJBKUPUQVWSFG-GOSISDBHSA-N 1 2 333.407 1.848 40 0 EDABLO CCn1cc(C[N@H+]2CCO[C@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585275361 448718937 /nfs/dbraw/zinc/71/89/37/448718937.db2.gz DBJBKUPUQVWSFG-GOSISDBHSA-N 1 2 333.407 1.848 40 0 EDABLO CCn1cncc1C[N@@H+]1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585275225 448719783 /nfs/dbraw/zinc/71/97/83/448719783.db2.gz ASQVRQPQFDNSAM-SFHVURJKSA-N 1 2 349.406 1.684 40 0 EDABLO CCn1cncc1C[N@H+]1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585275225 448719786 /nfs/dbraw/zinc/71/97/86/448719786.db2.gz ASQVRQPQFDNSAM-SFHVURJKSA-N 1 2 349.406 1.684 40 0 EDABLO CC(C)COCCc1c[nH+]c2n1CCN(C(=O)C1CC(O)C1)[C@@H]2C ZINC000585096866 448681655 /nfs/dbraw/zinc/68/16/55/448681655.db2.gz BSENSPOIJIUTTF-VQCLRJIVSA-N 1 2 335.448 1.772 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585097844 448682522 /nfs/dbraw/zinc/68/25/22/448682522.db2.gz RTLYYIKQWGLSFI-OAHLLOKOSA-N 1 2 344.415 1.531 40 0 EDABLO O=C(CCc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H]([NH+]2CCOCC2)C1 ZINC000216520198 485707715 /nfs/dbraw/zinc/70/77/15/485707715.db2.gz QAZIKZBFRXCQLE-QZTJIDSGSA-N 1 2 343.427 1.004 40 0 EDABLO CS(=O)(=O)c1cccc(C[C@@H]([NH3+])C(=O)OCc2ccccc2)c1 ZINC000206472683 486365529 /nfs/dbraw/zinc/36/55/29/486365529.db2.gz NAHLQFJKVQKZSA-MRXNPFEDSA-N 1 2 333.409 1.703 40 0 EDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccco2)C3)C[C@@H](C)O1 ZINC000072335461 216158212 /nfs/dbraw/zinc/15/82/12/216158212.db2.gz XZXNHUPHSJLHJB-CHWSQXEVSA-N 1 2 344.415 1.947 40 0 EDABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccco2)C3)C[C@@H](C)O1 ZINC000072335461 216158214 /nfs/dbraw/zinc/15/82/14/216158214.db2.gz XZXNHUPHSJLHJB-CHWSQXEVSA-N 1 2 344.415 1.947 40 0 EDABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072360947 216167660 /nfs/dbraw/zinc/16/76/60/216167660.db2.gz POYJQFSUNRFSDF-AWEZNQCLSA-N 1 2 340.431 1.897 40 0 EDABLO Cc1cc(Nc2ncccc2C)nc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072360947 216167663 /nfs/dbraw/zinc/16/76/63/216167663.db2.gz POYJQFSUNRFSDF-AWEZNQCLSA-N 1 2 340.431 1.897 40 0 EDABLO Cc1cc(N2CCC[C@H]2c2cc(CCC(N)=O)nc(C)n2)nc[nH+]1 ZINC000072367095 216173139 /nfs/dbraw/zinc/17/31/39/216173139.db2.gz LWNRRUICNHTGPU-HNNXBMFYSA-N 1 2 326.404 1.643 40 0 EDABLO CNC(=O)CCc1cc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000072367059 216173508 /nfs/dbraw/zinc/17/35/08/216173508.db2.gz SEQVOYSVYBQMDP-INIZCTEOSA-N 1 2 347.463 1.079 40 0 EDABLO CNC(=O)CCc1cc([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000072367059 216173511 /nfs/dbraw/zinc/17/35/11/216173511.db2.gz SEQVOYSVYBQMDP-INIZCTEOSA-N 1 2 347.463 1.079 40 0 EDABLO Cn1cc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257207606 244141128 /nfs/dbraw/zinc/14/11/28/244141128.db2.gz BILUULUKDFLQLO-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cn1cc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257207606 244141133 /nfs/dbraw/zinc/14/11/33/244141133.db2.gz BILUULUKDFLQLO-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO COc1ccccc1C[N@@H+]1CC[C@@]1(CCCc1cnccn1)C(N)=O ZINC000257248000 244260377 /nfs/dbraw/zinc/26/03/77/244260377.db2.gz JBPWAFWTXKUEQR-IBGZPJMESA-N 1 2 340.427 1.938 40 0 EDABLO COc1ccccc1C[N@H+]1CC[C@@]1(CCCc1cnccn1)C(N)=O ZINC000257248000 244260383 /nfs/dbraw/zinc/26/03/83/244260383.db2.gz JBPWAFWTXKUEQR-IBGZPJMESA-N 1 2 340.427 1.938 40 0 EDABLO COc1ccccc1[C@H]1CN(CC(=O)N2CCCCC2)CC[N@@H+]1C ZINC000257252459 244273825 /nfs/dbraw/zinc/27/38/25/244273825.db2.gz JUVHMZHNORBISF-QGZVFWFLSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccccc1[C@H]1CN(CC(=O)N2CCCCC2)CC[N@H+]1C ZINC000257252459 244273829 /nfs/dbraw/zinc/27/38/29/244273829.db2.gz JUVHMZHNORBISF-QGZVFWFLSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccccc1[C@H]1C[N@H+](CC(=O)N2CCCCC2)CCN1C ZINC000257252459 244273836 /nfs/dbraw/zinc/27/38/36/244273836.db2.gz JUVHMZHNORBISF-QGZVFWFLSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccccc1[C@H]1C[N@@H+](CC(=O)N2CCCCC2)CCN1C ZINC000257252459 244273841 /nfs/dbraw/zinc/27/38/41/244273841.db2.gz JUVHMZHNORBISF-QGZVFWFLSA-N 1 2 331.460 1.996 40 0 EDABLO Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)[nH]c(=O)n1 ZINC000257257517 244286721 /nfs/dbraw/zinc/28/67/21/244286721.db2.gz KPZIJWZVBHBXLE-CYBMUJFWSA-N 1 2 327.388 1.627 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2Cc2c[nH+]c[nH]2)c1 ZINC000257261678 244351093 /nfs/dbraw/zinc/35/10/93/244351093.db2.gz LIJUAQRZJOECDA-KRWDZBQOSA-N 1 2 341.415 1.175 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(C)=O)CCN2Cc2c[nH]c[nH+]2)c1 ZINC000257261678 244351098 /nfs/dbraw/zinc/35/10/98/244351098.db2.gz LIJUAQRZJOECDA-KRWDZBQOSA-N 1 2 341.415 1.175 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@@H+]2C)c1 ZINC000257273289 244385281 /nfs/dbraw/zinc/38/52/81/244385281.db2.gz NFZUTERDDFNYCV-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccncc3)CC[N@H+]2C)c1 ZINC000257273289 244385290 /nfs/dbraw/zinc/38/52/90/244385290.db2.gz NFZUTERDDFNYCV-KRWDZBQOSA-N 1 2 338.411 1.570 40 0 EDABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)OC3(C)C)CC2)c(C)n1 ZINC000019524565 212038442 /nfs/dbraw/zinc/03/84/42/212038442.db2.gz FXCNGYREOQWSGD-HNNXBMFYSA-N 1 2 348.447 1.197 40 0 EDABLO CCn1ncc(-c2cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)no2)c1C ZINC000019524049 212037838 /nfs/dbraw/zinc/03/78/38/212037838.db2.gz ABQUKJKGQAUGLH-LBPRGKRZSA-N 1 2 347.419 1.317 40 0 EDABLO C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(F)c2)C1)[NH+]1CCOCC1 ZINC000019456439 212029798 /nfs/dbraw/zinc/02/97/98/212029798.db2.gz DTLSBQQPTNBJRF-KGLIPLIRSA-N 1 2 349.406 1.016 40 0 EDABLO CCNc1nc2nc(=S)n(C[NH+]3CCCCC3)n2c(NCC)n1 ZINC000008653748 441097237 /nfs/dbraw/zinc/09/72/37/441097237.db2.gz PNNZCHICKIVOEV-UHFFFAOYSA-N 1 2 336.469 1.962 40 0 EDABLO CCOc1ccc([C@@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095534267 441952087 /nfs/dbraw/zinc/95/20/87/441952087.db2.gz PQSNFOLSVDADNZ-OAHLLOKOSA-N 1 2 328.376 1.505 40 0 EDABLO Cc1cnc(C(=O)N2Cc3[nH+]cn(C)c3[C@H](COCC(C)C)C2)cn1 ZINC000096044850 441992968 /nfs/dbraw/zinc/99/29/68/441992968.db2.gz FNWGKMMCCOHWAO-AWEZNQCLSA-N 1 2 343.431 1.931 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)no1 ZINC000096041281 441988800 /nfs/dbraw/zinc/98/88/00/441988800.db2.gz FMBFNUQRBUNZGK-IAOVAPTHSA-N 1 2 345.399 1.872 40 0 EDABLO Cc1cc(C[N@H+]2C[C@@H](C(=O)NCc3ccco3)C[C@H]3OCC[C@H]32)no1 ZINC000096041281 441988803 /nfs/dbraw/zinc/98/88/03/441988803.db2.gz FMBFNUQRBUNZGK-IAOVAPTHSA-N 1 2 345.399 1.872 40 0 EDABLO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccccn1)N1CCCC1 ZINC000096041672 441990034 /nfs/dbraw/zinc/99/00/34/441990034.db2.gz ZCWGAHFMLQOTLB-YQVWRLOYSA-N 1 2 345.443 1.452 40 0 EDABLO O=C(CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccccn1)N1CCCC1 ZINC000096041672 441990038 /nfs/dbraw/zinc/99/00/38/441990038.db2.gz ZCWGAHFMLQOTLB-YQVWRLOYSA-N 1 2 345.443 1.452 40 0 EDABLO Cn1cccc1C(=O)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096066855 442014869 /nfs/dbraw/zinc/01/48/69/442014869.db2.gz HPQYKAKXJYRXGM-OAHLLOKOSA-N 1 2 328.416 1.920 40 0 EDABLO COC[C@H]1CN(C(=O)COc2ccc(C)cc2)Cc2[nH+]cn(C)c21 ZINC000096068616 442015918 /nfs/dbraw/zinc/01/59/18/442015918.db2.gz FPDPJTSBGMYIIJ-CQSZACIVSA-N 1 2 329.400 1.880 40 0 EDABLO O=C([C@@H]1CCOC1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158851 442048464 /nfs/dbraw/zinc/04/84/64/442048464.db2.gz UAQXPOFMMMAARU-MRXNPFEDSA-N 1 2 345.443 1.312 40 0 EDABLO O=C([C@@H]1CCOC1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158851 442048471 /nfs/dbraw/zinc/04/84/71/442048471.db2.gz UAQXPOFMMMAARU-MRXNPFEDSA-N 1 2 345.443 1.312 40 0 EDABLO O=S(=O)(C1CC1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159010 442049757 /nfs/dbraw/zinc/04/97/57/442049757.db2.gz FDDIYNZBAPYBDX-UHFFFAOYSA-N 1 2 337.445 1.245 40 0 EDABLO Cc1ccc(CN2CCc3n[nH]c(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187421 442064413 /nfs/dbraw/zinc/06/44/13/442064413.db2.gz OQRPDVROXGFIBS-UHFFFAOYSA-N 1 2 343.431 1.257 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)o1 ZINC000096226646 442095417 /nfs/dbraw/zinc/09/54/17/442095417.db2.gz WZDRSBXVVFWQJS-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)o1 ZINC000096226646 442095420 /nfs/dbraw/zinc/09/54/20/442095420.db2.gz WZDRSBXVVFWQJS-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO O=C(c1cc[nH]n1)N1CCC[C@@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096229058 442095754 /nfs/dbraw/zinc/09/57/54/442095754.db2.gz FOKNOFOWHQUJLS-GOSISDBHSA-N 1 2 341.415 1.564 40 0 EDABLO O=C(c1ccn[nH]1)N1CCC[C@@]2(C1)COCCN(c1cccc[nH+]1)C2 ZINC000096229058 442095759 /nfs/dbraw/zinc/09/57/59/442095759.db2.gz FOKNOFOWHQUJLS-GOSISDBHSA-N 1 2 341.415 1.564 40 0 EDABLO O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3nccs3)C[C@H]2O1)N1CCCCO1 ZINC000096209151 442084325 /nfs/dbraw/zinc/08/43/25/442084325.db2.gz KSWQPUZDMQOJRJ-MELADBBJSA-N 1 2 337.445 1.677 40 0 EDABLO O=C(C[C@@H]1C[C@H]2C[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCCCO1 ZINC000096209151 442084328 /nfs/dbraw/zinc/08/43/28/442084328.db2.gz KSWQPUZDMQOJRJ-MELADBBJSA-N 1 2 337.445 1.677 40 0 EDABLO O=S(=O)(NC[C@@H]1C[N@H+](CC2CCCC2)Cc2ccnn21)C1CC1 ZINC000247319844 442846829 /nfs/dbraw/zinc/84/68/29/442846829.db2.gz LHGODIREACIOPY-OAHLLOKOSA-N 1 2 338.477 1.512 40 0 EDABLO O=S(=O)(NC[C@@H]1C[N@@H+](CC2CCCC2)Cc2ccnn21)C1CC1 ZINC000247319844 442846833 /nfs/dbraw/zinc/84/68/33/442846833.db2.gz LHGODIREACIOPY-OAHLLOKOSA-N 1 2 338.477 1.512 40 0 EDABLO O=C(CN1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1)N1CCCC1 ZINC000247796760 442868906 /nfs/dbraw/zinc/86/89/06/442868906.db2.gz RYCWMSCDFUIRRI-INIZCTEOSA-N 1 2 341.415 1.336 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccsc3)C2)nc[nH+]1 ZINC000257289515 443133496 /nfs/dbraw/zinc/13/34/96/443133496.db2.gz PYYVQVIQMNPWHO-QGZVFWFLSA-N 1 2 346.456 1.950 40 0 EDABLO Cc1ccnn1CCC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257293491 443134403 /nfs/dbraw/zinc/13/44/03/443134403.db2.gz QPRYTYYXMRCNKQ-GOSISDBHSA-N 1 2 343.431 1.124 40 0 EDABLO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257295021 443134752 /nfs/dbraw/zinc/13/47/52/443134752.db2.gz QWPWUEKAFFNILG-AWEZNQCLSA-N 1 2 326.466 1.871 40 0 EDABLO Cc1nc([C@H]2C[N@@H+](C3CCOCC3)CCO2)cc(N2CCOCC2)n1 ZINC000257312285 443142123 /nfs/dbraw/zinc/14/21/23/443142123.db2.gz UNERAGWCXQSRTN-QGZVFWFLSA-N 1 2 348.447 1.174 40 0 EDABLO Cc1nc([C@H]2C[N@H+](C3CCOCC3)CCO2)cc(N2CCOCC2)n1 ZINC000257312285 443142127 /nfs/dbraw/zinc/14/21/27/443142127.db2.gz UNERAGWCXQSRTN-QGZVFWFLSA-N 1 2 348.447 1.174 40 0 EDABLO Cc1nc(C)c(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)s1 ZINC000257316391 443144464 /nfs/dbraw/zinc/14/44/64/443144464.db2.gz VFKCSRUVFOWEBD-QGZVFWFLSA-N 1 2 346.456 1.916 40 0 EDABLO COc1ccc([C@H]2CN(S(=O)(=O)N3CCCC3)CC[N@@H+]2C)cc1 ZINC000257320425 443146395 /nfs/dbraw/zinc/14/63/95/443146395.db2.gz VWTIMOOMLAXZMN-MRXNPFEDSA-N 1 2 339.461 1.324 40 0 EDABLO COc1ccc([C@H]2CN(S(=O)(=O)N3CCCC3)CC[N@H+]2C)cc1 ZINC000257320425 443146398 /nfs/dbraw/zinc/14/63/98/443146398.db2.gz VWTIMOOMLAXZMN-MRXNPFEDSA-N 1 2 339.461 1.324 40 0 EDABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2Oc2ccccc21 ZINC000514288886 448160842 /nfs/dbraw/zinc/16/08/42/448160842.db2.gz CTLHEGLGYUZWIF-ZBFHGGJFSA-N 1 2 330.409 1.610 40 0 biogenic,in-vitro EDABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2Oc2ccccc21 ZINC000514288886 448160846 /nfs/dbraw/zinc/16/08/46/448160846.db2.gz CTLHEGLGYUZWIF-ZBFHGGJFSA-N 1 2 330.409 1.610 40 0 biogenic,in-vitro EDABLO O=C(N1CCCn2nnc(C[NH+]3CCCCC3)c2C1)C1(F)CCC1 ZINC000585110553 448691586 /nfs/dbraw/zinc/69/15/86/448691586.db2.gz WBGCCBCOYNOOKI-UHFFFAOYSA-N 1 2 335.427 1.889 40 0 EDABLO O=C(CC1CC1)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000585096220 448679806 /nfs/dbraw/zinc/67/98/06/448679806.db2.gz ZIQBPLYFXDQOOR-MRXNPFEDSA-N 1 2 339.399 1.278 40 0 EDABLO O=C1N(c2ncccn2)C[C@]12CCC[N@@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099392 448684071 /nfs/dbraw/zinc/68/40/71/448684071.db2.gz HVHBEPBNKIGTBF-MRXNPFEDSA-N 1 2 344.806 1.549 40 0 EDABLO O=C1N(c2ncccn2)C[C@]12CCC[N@H+](Cc1cnc(Cl)cn1)C2 ZINC000585099392 448684076 /nfs/dbraw/zinc/68/40/76/448684076.db2.gz HVHBEPBNKIGTBF-MRXNPFEDSA-N 1 2 344.806 1.549 40 0 EDABLO O=C(c1ccc(Cl)cc1)N1CC[C@@H](O)[C@](O)(Cn2cc[nH+]c2)C1 ZINC000585284044 448731964 /nfs/dbraw/zinc/73/19/64/448731964.db2.gz FAPIEQATMWDXEY-ZBFHGGJFSA-N 1 2 335.791 1.175 40 0 EDABLO Cc1cccc(OC[C@]2(O)COCCN(Cc3[nH+]ccn3C)C2)c1 ZINC000585268854 485893681 /nfs/dbraw/zinc/89/36/81/485893681.db2.gz BLCSLFAZGWIOKZ-GOSISDBHSA-N 1 2 331.416 1.371 40 0 EDABLO CCn1ncc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1C ZINC000100775101 219106392 /nfs/dbraw/zinc/10/63/92/219106392.db2.gz PARPMTQJERUEHP-UHFFFAOYSA-N 1 2 340.431 1.869 40 0 EDABLO CCn1ncc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)c1C ZINC000100775101 219106396 /nfs/dbraw/zinc/10/63/96/219106396.db2.gz PARPMTQJERUEHP-UHFFFAOYSA-N 1 2 340.431 1.869 40 0 EDABLO CN(C)c1ncc(C[N@@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000072355271 216163739 /nfs/dbraw/zinc/16/37/39/216163739.db2.gz OGQIXCAVXXOCFI-SFHVURJKSA-N 1 2 347.463 1.192 40 0 EDABLO CN(C)c1ncc(C[N@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000072355271 216163740 /nfs/dbraw/zinc/16/37/40/216163740.db2.gz OGQIXCAVXXOCFI-SFHVURJKSA-N 1 2 347.463 1.192 40 0 EDABLO CN(C)S(=O)(=O)N1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1 ZINC000072378763 216180484 /nfs/dbraw/zinc/18/04/84/216180484.db2.gz DCRUNJODKIXUPU-ZDUSSCGKSA-N 1 2 335.433 1.253 40 0 EDABLO Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257221365 244186253 /nfs/dbraw/zinc/18/62/53/244186253.db2.gz DOTFAAJFCLTVTO-BFYDXBDKSA-N 1 2 332.404 1.644 40 0 EDABLO CCCn1cc(C[N@@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257259642 284131262 /nfs/dbraw/zinc/13/12/62/284131262.db2.gz KZHWUFXPTABMGG-CYBMUJFWSA-N 1 2 337.449 1.409 40 0 EDABLO CCCn1cc(C[N@H+]2CC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257259642 284131264 /nfs/dbraw/zinc/13/12/64/284131264.db2.gz KZHWUFXPTABMGG-CYBMUJFWSA-N 1 2 337.449 1.409 40 0 EDABLO O=C1CO[C@@H]2CC[N@@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257267797 244367023 /nfs/dbraw/zinc/36/70/23/244367023.db2.gz MITSBVRCLGMJBA-QWHCGFSZSA-N 1 2 325.206 1.538 40 0 EDABLO O=C1CO[C@@H]2CC[N@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257267797 244367027 /nfs/dbraw/zinc/36/70/27/244367027.db2.gz MITSBVRCLGMJBA-QWHCGFSZSA-N 1 2 325.206 1.538 40 0 EDABLO COCCc1ncc(C[NH+]2CCC(O)(c3cccnc3F)CC2)cn1 ZINC000012327368 211349735 /nfs/dbraw/zinc/34/97/35/211349735.db2.gz BOCPIGSVZJXRPT-UHFFFAOYSA-N 1 2 346.406 1.683 40 0 EDABLO CS(=O)(=O)c1snnc1[C@@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000012221432 211324451 /nfs/dbraw/zinc/32/44/51/211324451.db2.gz RFILROUYJAMUQM-SECBINFHSA-N 1 2 327.435 1.044 40 0 EDABLO O=S1(=O)NC2(CC[NH+](Cc3ccncc3)CC2)Nc2ccccc21 ZINC000012142380 211304818 /nfs/dbraw/zinc/30/48/18/211304818.db2.gz HKMGCBOZYGMREH-UHFFFAOYSA-N 1 2 344.440 1.778 40 0 EDABLO Cc1c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C ZINC000012122361 211299042 /nfs/dbraw/zinc/29/90/42/211299042.db2.gz VASWHBKSXGQABL-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cnn1C ZINC000012122361 211299048 /nfs/dbraw/zinc/29/90/48/211299048.db2.gz VASWHBKSXGQABL-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cn1ccnc1C1(O)CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000012114431 211293576 /nfs/dbraw/zinc/29/35/76/211293576.db2.gz MBUOKCGNOROJLK-UHFFFAOYSA-N 1 2 332.379 1.481 40 0 EDABLO CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000329004761 257906700 /nfs/dbraw/zinc/90/67/00/257906700.db2.gz KTBMUNITASPOSH-UHFFFAOYSA-N 1 2 333.417 1.119 40 0 EDABLO CCNc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000329004761 257906702 /nfs/dbraw/zinc/90/67/02/257906702.db2.gz KTBMUNITASPOSH-UHFFFAOYSA-N 1 2 333.417 1.119 40 0 EDABLO CCN1C(=O)[C@@H]2[C@H](c3ccccc3C)[NH2+][C@@](C)(C(=O)OC)[C@H]2C1=O ZINC000245230457 279251775 /nfs/dbraw/zinc/25/17/75/279251775.db2.gz SEKYBLVOEUSLDW-MOROJQBDSA-N 1 2 330.384 1.192 40 0 EDABLO CCOC(=O)c1ccc(NC(=O)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000048598524 441316730 /nfs/dbraw/zinc/31/67/30/441316730.db2.gz QNYQFBSKERSGGK-UHFFFAOYSA-N 1 2 344.371 1.205 40 0 EDABLO CCc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)o1 ZINC000107715802 441427787 /nfs/dbraw/zinc/42/77/87/441427787.db2.gz CJWUWMYITYUILI-LZLYRXPVSA-N 1 2 336.432 1.679 40 0 EDABLO CCc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC(=O)N(C)C)CC[C@@H]32)o1 ZINC000107715802 441427791 /nfs/dbraw/zinc/42/77/91/441427791.db2.gz CJWUWMYITYUILI-LZLYRXPVSA-N 1 2 336.432 1.679 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cn1 ZINC000096041713 441989856 /nfs/dbraw/zinc/98/98/56/441989856.db2.gz VCTZHLDDWHUJLP-RCCFBDPRSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4cccnc4)CC[C@@H]32)cn1 ZINC000096041713 441989859 /nfs/dbraw/zinc/98/98/59/441989859.db2.gz VCTZHLDDWHUJLP-RCCFBDPRSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCN(CCn2cccn2)c2ncccc2C1 ZINC000096069209 442017646 /nfs/dbraw/zinc/01/76/46/442017646.db2.gz WGFQIRYRQCMERO-UHFFFAOYSA-N 1 2 337.431 1.534 40 0 EDABLO Cn1ccnc1C[N@H+]1CCN(CCn2cccn2)c2ncccc2C1 ZINC000096069209 442017652 /nfs/dbraw/zinc/01/76/52/442017652.db2.gz WGFQIRYRQCMERO-UHFFFAOYSA-N 1 2 337.431 1.534 40 0 EDABLO CNC(=O)c1cc2c([nH+]c1NC(C)C)CCN(c1ccncn1)CC2 ZINC000096086802 442024266 /nfs/dbraw/zinc/02/42/66/442024266.db2.gz PMCSVPAHNOIOIF-UHFFFAOYSA-N 1 2 340.431 1.657 40 0 EDABLO CCc1ccc(C[N@@H+]2CCc3c(CNS(C)(=O)=O)cncc3C2)o1 ZINC000096189477 442068452 /nfs/dbraw/zinc/06/84/52/442068452.db2.gz VSMWEPVVZZNVPF-UHFFFAOYSA-N 1 2 349.456 1.845 40 0 EDABLO CCc1ccc(C[N@H+]2CCc3c(CNS(C)(=O)=O)cncc3C2)o1 ZINC000096189477 442068456 /nfs/dbraw/zinc/06/84/56/442068456.db2.gz VSMWEPVVZZNVPF-UHFFFAOYSA-N 1 2 349.456 1.845 40 0 EDABLO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2ccsc2)C1 ZINC000247510663 442859064 /nfs/dbraw/zinc/85/90/64/442859064.db2.gz IIFFIEKRJALDOK-ZDUSSCGKSA-N 1 2 340.474 1.126 40 0 EDABLO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2ccsc2)C1 ZINC000247510663 442859068 /nfs/dbraw/zinc/85/90/68/442859068.db2.gz IIFFIEKRJALDOK-ZDUSSCGKSA-N 1 2 340.474 1.126 40 0 EDABLO CNC(=O)C[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247942909 442874526 /nfs/dbraw/zinc/87/45/26/442874526.db2.gz JCDXKWQLEJQFJU-QGZVFWFLSA-N 1 2 328.416 1.593 40 0 EDABLO CNC(=O)C[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247942909 442874532 /nfs/dbraw/zinc/87/45/32/442874532.db2.gz JCDXKWQLEJQFJU-QGZVFWFLSA-N 1 2 328.416 1.593 40 0 EDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCN2CCCC2=O)nc[nH+]1 ZINC000248111225 442881305 /nfs/dbraw/zinc/88/13/05/442881305.db2.gz KEJFQCPEDPWYPS-CQSZACIVSA-N 1 2 345.447 1.150 40 0 EDABLO CN(C)c1cc(N2CC3(C2)OCC[C@H]3CCN2CCCC2=O)[nH+]cn1 ZINC000248111225 442881310 /nfs/dbraw/zinc/88/13/10/442881310.db2.gz KEJFQCPEDPWYPS-CQSZACIVSA-N 1 2 345.447 1.150 40 0 EDABLO c1ccc(C[NH+]2CC3(C2)CC[C@@H](CNc2ncccn2)CO3)nc1 ZINC000248107329 442881463 /nfs/dbraw/zinc/88/14/63/442881463.db2.gz PNBZRHMKBOSACM-HNNXBMFYSA-N 1 2 325.416 1.965 40 0 EDABLO CC(C)c1cc(C(=O)NC[C@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257295968 443135962 /nfs/dbraw/zinc/13/59/62/443135962.db2.gz RAQIAKBOTVNUBZ-QGZVFWFLSA-N 1 2 330.388 1.564 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257303949 443138882 /nfs/dbraw/zinc/13/88/82/443138882.db2.gz SJLFBEBYGOOLCF-QGZVFWFLSA-N 1 2 328.420 1.721 40 0 EDABLO Cc1ncccc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257319576 443145174 /nfs/dbraw/zinc/14/51/74/443145174.db2.gz VTBZTIUKCPXNEA-LJQANCHMSA-N 1 2 340.427 1.889 40 0 EDABLO COc1ccc([C@H]2C[N@H+](Cc3cncnc3)CCN2C(C)=O)cc1 ZINC000257319698 443145282 /nfs/dbraw/zinc/14/52/82/443145282.db2.gz VTQWRWMCMLFHNP-GOSISDBHSA-N 1 2 326.400 1.891 40 0 EDABLO COc1ccc([C@H]2C[N@@H+](Cc3cncnc3)CCN2C(C)=O)cc1 ZINC000257319698 443145287 /nfs/dbraw/zinc/14/52/87/443145287.db2.gz VTQWRWMCMLFHNP-GOSISDBHSA-N 1 2 326.400 1.891 40 0 EDABLO OCCCNc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329062934 444461836 /nfs/dbraw/zinc/46/18/36/444461836.db2.gz XAXXPVRWJIXIMG-UHFFFAOYSA-N 1 2 325.372 1.382 40 0 EDABLO O=S1(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc21 ZINC000514290162 448160491 /nfs/dbraw/zinc/16/04/91/448160491.db2.gz TTZDBEAORHLQKM-KGLIPLIRSA-N 1 2 331.397 1.005 40 0 biogenic,in-vitro EDABLO O=S1(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2Oc2ncccc21 ZINC000514290162 448160495 /nfs/dbraw/zinc/16/04/95/448160495.db2.gz TTZDBEAORHLQKM-KGLIPLIRSA-N 1 2 331.397 1.005 40 0 biogenic,in-vitro EDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(F)c3)C2)C[N@@H+]1CC1CC1 ZINC000585109385 448690329 /nfs/dbraw/zinc/69/03/29/448690329.db2.gz MLBIBNQTLZPDFX-QGZVFWFLSA-N 1 2 347.434 1.237 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3cccc(F)c3)C2)C[N@H+]1CC1CC1 ZINC000585109385 448690334 /nfs/dbraw/zinc/69/03/34/448690334.db2.gz MLBIBNQTLZPDFX-QGZVFWFLSA-N 1 2 347.434 1.237 40 0 EDABLO Cc1cccc(C(=O)N2Cc3c[nH+]cn3[C@H](C(=O)NCC3CC3)C2)c1 ZINC000585095909 448678763 /nfs/dbraw/zinc/67/87/63/448678763.db2.gz UGOCOCDLYVNACA-KRWDZBQOSA-N 1 2 338.411 1.915 40 0 EDABLO Cc1cc(C[N@H+]2CCn3c(COCC4CC4)nnc3C[C@@H]2C)n[nH]1 ZINC000585097462 448682419 /nfs/dbraw/zinc/68/24/19/448682419.db2.gz KENNAFCUXPTPBE-ZDUSSCGKSA-N 1 2 330.436 1.683 40 0 EDABLO Cc1cc(C[N@@H+]2CCn3c(COCC4CC4)nnc3C[C@@H]2C)n[nH]1 ZINC000585097462 448682424 /nfs/dbraw/zinc/68/24/24/448682424.db2.gz KENNAFCUXPTPBE-ZDUSSCGKSA-N 1 2 330.436 1.683 40 0 EDABLO C[C@@H]1c2nnc(COc3ccccn3)n2CC[N@H+]1Cc1cnn(C)c1 ZINC000585098335 448683523 /nfs/dbraw/zinc/68/35/23/448683523.db2.gz WMRCINRAOFUDFO-CYBMUJFWSA-N 1 2 339.403 1.562 40 0 EDABLO C[C@@H]1c2nnc(COc3ccccn3)n2CC[N@@H+]1Cc1cnn(C)c1 ZINC000585098335 448683525 /nfs/dbraw/zinc/68/35/25/448683525.db2.gz WMRCINRAOFUDFO-CYBMUJFWSA-N 1 2 339.403 1.562 40 0 EDABLO Cc1ccccc1OC[C@]1(O)COCC[N@H+](Cc2cncnc2)C1 ZINC000585277321 448724248 /nfs/dbraw/zinc/72/42/48/448724248.db2.gz UMRIOGXMGAPEGF-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ccccc1OC[C@]1(O)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585277321 448724252 /nfs/dbraw/zinc/72/42/52/448724252.db2.gz UMRIOGXMGAPEGF-GOSISDBHSA-N 1 2 329.400 1.427 40 0 EDABLO CN1C(=O)C2(C[C@H]1Cc1cnccn1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257273192 536307176 /nfs/dbraw/zinc/30/71/76/536307176.db2.gz NFPFCTUFJRPNCZ-OAHLLOKOSA-N 1 2 340.431 1.255 40 0 EDABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2CC(N)=O)nc(C)n1 ZINC000072360954 216167264 /nfs/dbraw/zinc/16/72/64/216167264.db2.gz OQJGWQLCVMZNMF-AWEZNQCLSA-N 1 2 326.404 1.854 40 0 EDABLO Cc1cccnc1Nc1cc([C@@H]2CCC[N@H+]2CC(N)=O)nc(C)n1 ZINC000072360954 216167265 /nfs/dbraw/zinc/16/72/65/216167265.db2.gz OQJGWQLCVMZNMF-AWEZNQCLSA-N 1 2 326.404 1.854 40 0 EDABLO CC(=O)N(C)Cc1cncc([C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000072366125 216172049 /nfs/dbraw/zinc/17/20/49/216172049.db2.gz SQLDGIHDOYLWAR-MRXNPFEDSA-N 1 2 328.420 1.526 40 0 EDABLO COC[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000253613826 244039639 /nfs/dbraw/zinc/03/96/39/244039639.db2.gz OMPLRJPTBVXJHS-HNNXBMFYSA-N 1 2 335.429 1.490 40 0 EDABLO Cc1cnc([C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)cn1 ZINC000257217639 244172942 /nfs/dbraw/zinc/17/29/42/244172942.db2.gz CZXCMILKLOYPRC-GOSISDBHSA-N 1 2 329.400 1.730 40 0 EDABLO Cc1cnc([C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)cn1 ZINC000257217639 244172948 /nfs/dbraw/zinc/17/29/48/244172948.db2.gz CZXCMILKLOYPRC-GOSISDBHSA-N 1 2 329.400 1.730 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000257210361 244147163 /nfs/dbraw/zinc/14/71/63/244147163.db2.gz BUHISFFQUYFPNY-QZTJIDSGSA-N 1 2 347.436 1.714 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC000257210361 244147167 /nfs/dbraw/zinc/14/71/67/244147167.db2.gz BUHISFFQUYFPNY-QZTJIDSGSA-N 1 2 347.436 1.714 40 0 EDABLO Cc1cncc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)c1 ZINC000257213833 244160708 /nfs/dbraw/zinc/16/07/08/244160708.db2.gz CJGFROAQEUZUJR-LJQANCHMSA-N 1 2 340.427 1.889 40 0 EDABLO O=C(COc1cccc(F)c1)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257253378 244276886 /nfs/dbraw/zinc/27/68/86/244276886.db2.gz JYQGLMCQERSQEJ-BFYDXBDKSA-N 1 2 333.363 1.672 40 0 EDABLO CNc1nccnc1[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257266813 244364759 /nfs/dbraw/zinc/36/47/59/244364759.db2.gz MEQAJNZZONRBGE-MRXNPFEDSA-N 1 2 342.399 1.863 40 0 EDABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257266813 244364765 /nfs/dbraw/zinc/36/47/65/244364765.db2.gz MEQAJNZZONRBGE-MRXNPFEDSA-N 1 2 342.399 1.863 40 0 EDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1Cc1[nH+]ccn1C ZINC000257266562 244364877 /nfs/dbraw/zinc/36/48/77/244364877.db2.gz MDNXCYLDHWVPAT-OAHLLOKOSA-N 1 2 328.420 1.492 40 0 EDABLO CNc1nccnc1C[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257260731 244347646 /nfs/dbraw/zinc/34/76/46/244347646.db2.gz LECJILIZDFCWCB-HNNXBMFYSA-N 1 2 342.447 1.976 40 0 EDABLO Cc1cc2nc([C@@H]3CCCC[N@@H+]3CC(=O)N3CCCC3)cc(=O)n2[nH]1 ZINC000257263576 244352325 /nfs/dbraw/zinc/35/23/25/244352325.db2.gz LQQCUOBALMURGT-HNNXBMFYSA-N 1 2 343.431 1.893 40 0 EDABLO Cc1cc2nc([C@@H]3CCCC[N@H+]3CC(=O)N3CCCC3)cc(=O)n2[nH]1 ZINC000257263576 244352330 /nfs/dbraw/zinc/35/23/30/244352330.db2.gz LQQCUOBALMURGT-HNNXBMFYSA-N 1 2 343.431 1.893 40 0 EDABLO Nc1cc(Nc2ccc(I)cc2)nc(N)[nH+]1 ZINC000013283021 441156566 /nfs/dbraw/zinc/15/65/66/441156566.db2.gz GIRSJLPMGZMXHZ-UHFFFAOYSA-N 1 2 327.129 1.989 40 0 EDABLO Nc1cc(Nc2ccc(I)cc2)[nH+]c(N)n1 ZINC000013283021 441156568 /nfs/dbraw/zinc/15/65/68/441156568.db2.gz GIRSJLPMGZMXHZ-UHFFFAOYSA-N 1 2 327.129 1.989 40 0 EDABLO O=C(NCCC[NH+]1CCOCC1)Nc1c[nH]c2ccccc2c1=O ZINC000013565863 441160617 /nfs/dbraw/zinc/16/06/17/441160617.db2.gz YWLGHHRLXJVPJB-UHFFFAOYSA-N 1 2 330.388 1.372 40 0 EDABLO CC(C)[NH+]1CCN(S(=O)(=O)c2c[nH]cc(Cl)c2=S)CC1 ZINC000072210803 441207548 /nfs/dbraw/zinc/20/75/48/441207548.db2.gz IEOZEDZECOBVJE-UHFFFAOYSA-N 1 2 335.882 1.738 40 0 EDABLO CNc1c(Cl)cncc1S(=O)(=O)N1CC[NH+](C(C)C)CC1 ZINC000072210800 441207616 /nfs/dbraw/zinc/20/76/16/441207616.db2.gz KARGRBNLLFYZDQ-UHFFFAOYSA-N 1 2 332.857 1.491 40 0 EDABLO COc1cc(C)c(S(=O)(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000073743441 441348904 /nfs/dbraw/zinc/34/89/04/441348904.db2.gz KFOSHFQSWPVJIW-UHFFFAOYSA-N 1 2 342.461 1.313 40 0 EDABLO Cc1cnc(C(=O)N2Cc3[nH+]cn(C)c3[C@@H](COCC(C)C)C2)cn1 ZINC000096044851 441993635 /nfs/dbraw/zinc/99/36/35/441993635.db2.gz FNWGKMMCCOHWAO-CQSZACIVSA-N 1 2 343.431 1.931 40 0 EDABLO O=C(N1CCCC1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096062495 442011569 /nfs/dbraw/zinc/01/15/69/442011569.db2.gz HDJKCHXAFSAXMZ-SFHVURJKSA-N 1 2 330.432 1.826 40 0 EDABLO O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096065355 442012742 /nfs/dbraw/zinc/01/27/42/442012742.db2.gz JKVZLESXRPRYBR-UPJWGTAASA-N 1 2 345.428 1.694 40 0 EDABLO O=C(Nc1cnccn1)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096065355 442012749 /nfs/dbraw/zinc/01/27/49/442012749.db2.gz JKVZLESXRPRYBR-UPJWGTAASA-N 1 2 345.428 1.694 40 0 EDABLO O=C(c1ccncn1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096220762 442091457 /nfs/dbraw/zinc/09/14/57/442091457.db2.gz DYMGOZAHJRRZMQ-RDTXWAMCSA-N 1 2 339.399 1.747 40 0 EDABLO O=C(N[C@H]1C[N@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186912 442064623 /nfs/dbraw/zinc/06/46/23/442064623.db2.gz COTFGXCREBHVLJ-GVDBMIGSSA-N 1 2 339.399 1.033 40 0 EDABLO O=C(N[C@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21)c1cnccn1 ZINC000096186912 442064626 /nfs/dbraw/zinc/06/46/26/442064626.db2.gz COTFGXCREBHVLJ-GVDBMIGSSA-N 1 2 339.399 1.033 40 0 EDABLO CCS(=O)(=O)N1CCO[C@]2(CCCN(c3cccc[nH+]3)C2)C1 ZINC000096226386 442095324 /nfs/dbraw/zinc/09/53/24/442095324.db2.gz URRZMNQKCPTKAA-HNNXBMFYSA-N 1 2 325.434 1.103 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2nn(C)c3ccccc32)C1 ZINC000096208954 442084460 /nfs/dbraw/zinc/08/44/60/442084460.db2.gz PMGFUEAOXMUPOB-CYBMUJFWSA-N 1 2 339.399 1.688 40 0 EDABLO CS(=O)(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)Cc2cncn21 ZINC000247493699 442858093 /nfs/dbraw/zinc/85/80/93/442858093.db2.gz CJGCYZMOADSPGC-OAHLLOKOSA-N 1 2 326.466 1.369 40 0 EDABLO CS(=O)(=O)NC[C@@H]1C[N@@H+](CC2CCCCC2)Cc2cncn21 ZINC000247493699 442858094 /nfs/dbraw/zinc/85/80/94/442858094.db2.gz CJGCYZMOADSPGC-OAHLLOKOSA-N 1 2 326.466 1.369 40 0 EDABLO CS(=O)(=O)NC[C@@H]1CN(CC2CCCCC2)Cc2c[nH+]cn21 ZINC000247493699 442858095 /nfs/dbraw/zinc/85/80/95/442858095.db2.gz CJGCYZMOADSPGC-OAHLLOKOSA-N 1 2 326.466 1.369 40 0 EDABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 ZINC000247949615 442874577 /nfs/dbraw/zinc/87/45/77/442874577.db2.gz BTOWRFKFLFGQPL-OAHLLOKOSA-N 1 2 348.472 1.915 40 0 EDABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@@H](COCC(=O)N(C)C)C1 ZINC000247949615 442874579 /nfs/dbraw/zinc/87/45/79/442874579.db2.gz BTOWRFKFLFGQPL-OAHLLOKOSA-N 1 2 348.472 1.915 40 0 EDABLO CCS(=O)(=O)NC[C@@H]1CCC2(C[NH+](Cc3ccc(C)o3)C2)OC1 ZINC000248130674 442882822 /nfs/dbraw/zinc/88/28/22/442882822.db2.gz YKGFZPVSHDPGDF-AWEZNQCLSA-N 1 2 342.461 1.508 40 0 EDABLO CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCC[NH+]1CCOCC1 ZINC000222751227 443081619 /nfs/dbraw/zinc/08/16/19/443081619.db2.gz BAWRKBUGWPVHJQ-MRXNPFEDSA-N 1 2 347.459 1.262 40 0 EDABLO CNc1ncccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257231680 443125258 /nfs/dbraw/zinc/12/52/58/443125258.db2.gz GHVDBOUSKCFFQA-GFCCVEGCSA-N 1 2 349.460 1.630 40 0 EDABLO CNc1ncccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257231680 443125259 /nfs/dbraw/zinc/12/52/59/443125259.db2.gz GHVDBOUSKCFFQA-GFCCVEGCSA-N 1 2 349.460 1.630 40 0 EDABLO CNc1ncccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257231681 443125623 /nfs/dbraw/zinc/12/56/23/443125623.db2.gz GHVDBOUSKCFFQA-LBPRGKRZSA-N 1 2 349.460 1.630 40 0 EDABLO CNc1ncccc1C[N@H+]1CCC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257231681 443125628 /nfs/dbraw/zinc/12/56/28/443125628.db2.gz GHVDBOUSKCFFQA-LBPRGKRZSA-N 1 2 349.460 1.630 40 0 EDABLO Cc1nc(CC(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)cs1 ZINC000257327426 443149310 /nfs/dbraw/zinc/14/93/10/443149310.db2.gz XBHHQRSJZXUTGI-QGZVFWFLSA-N 1 2 346.456 1.537 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](COc1ncccn1)N(Cc1ccco1)C2 ZINC000585094852 448677274 /nfs/dbraw/zinc/67/72/74/448677274.db2.gz QDUPDECUBBRQFB-ZDUSSCGKSA-N 1 2 325.372 1.809 40 0 EDABLO CC(C)COCCc1c[nH+]c2n1CCN(C(=O)C1CC(O)C1)[C@H]2C ZINC000585096863 448681691 /nfs/dbraw/zinc/68/16/91/448681691.db2.gz BSENSPOIJIUTTF-HLIUYOAVSA-N 1 2 335.448 1.772 40 0 EDABLO Cc1cnc(Nc2cc([C@@H]3CCC[N@@H+]3CC(N)=O)nc(C)n2)s1 ZINC000072360958 216166862 /nfs/dbraw/zinc/16/68/62/216166862.db2.gz VCDWZEVXKUVZNB-LBPRGKRZSA-N 1 2 332.433 1.916 40 0 EDABLO Cc1cnc(Nc2cc([C@@H]3CCC[N@H+]3CC(N)=O)nc(C)n2)s1 ZINC000072360958 216166864 /nfs/dbraw/zinc/16/68/64/216166864.db2.gz VCDWZEVXKUVZNB-LBPRGKRZSA-N 1 2 332.433 1.916 40 0 EDABLO CCc1nnc(Nc2cc([C@H]3CCC[N@@H+]3CC(N)=O)nc(C)n2)s1 ZINC000072360963 216167417 /nfs/dbraw/zinc/16/74/17/216167417.db2.gz HNUOSXBZELLMFC-LLVKDONJSA-N 1 2 347.448 1.565 40 0 EDABLO CCc1nnc(Nc2cc([C@H]3CCC[N@H+]3CC(N)=O)nc(C)n2)s1 ZINC000072360963 216167421 /nfs/dbraw/zinc/16/74/21/216167421.db2.gz HNUOSXBZELLMFC-LLVKDONJSA-N 1 2 347.448 1.565 40 0 EDABLO Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2C(=O)C[NH+](C)C)n1 ZINC000072360389 216167652 /nfs/dbraw/zinc/16/76/52/216167652.db2.gz VOUBEMSXGMSCAX-LBPRGKRZSA-N 1 2 347.448 1.605 40 0 EDABLO CN(C)C(=O)C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247941555 243486252 /nfs/dbraw/zinc/48/62/52/243486252.db2.gz AFORUXZAZPGLCO-AWEZNQCLSA-N 1 2 328.478 1.078 40 0 EDABLO CN(C(=O)CCCn1cccn1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257229444 244207126 /nfs/dbraw/zinc/20/71/26/244207126.db2.gz FYDQBJNEKKJOBQ-JFIYKMOQSA-N 1 2 345.447 1.863 40 0 EDABLO Cc1cnc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257260064 244292424 /nfs/dbraw/zinc/29/24/24/244292424.db2.gz LBEMDZFKIVSFBA-QZTJIDSGSA-N 1 2 338.411 1.397 40 0 EDABLO Cc1cnc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)cn1 ZINC000257260064 244292427 /nfs/dbraw/zinc/29/24/27/244292427.db2.gz LBEMDZFKIVSFBA-QZTJIDSGSA-N 1 2 338.411 1.397 40 0 EDABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257266812 244363253 /nfs/dbraw/zinc/36/32/53/244363253.db2.gz MEQAJNZZONRBGE-INIZCTEOSA-N 1 2 342.399 1.863 40 0 EDABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1 ZINC000257266812 244363257 /nfs/dbraw/zinc/36/32/57/244363257.db2.gz MEQAJNZZONRBGE-INIZCTEOSA-N 1 2 342.399 1.863 40 0 EDABLO Cn1nccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257276515 244393332 /nfs/dbraw/zinc/39/33/32/244393332.db2.gz NUBUHAGYIWGCET-GOSISDBHSA-N 1 2 336.399 1.846 40 0 EDABLO Cn1nccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cncnc3)n2)C1 ZINC000257276515 244393343 /nfs/dbraw/zinc/39/33/43/244393343.db2.gz NUBUHAGYIWGCET-GOSISDBHSA-N 1 2 336.399 1.846 40 0 EDABLO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)[NH+]1CCOCC1 ZINC000019456441 212030233 /nfs/dbraw/zinc/03/02/33/212030233.db2.gz DTLSBQQPTNBJRF-UONOGXRCSA-N 1 2 349.406 1.016 40 0 EDABLO CCCCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000016740339 211932127 /nfs/dbraw/zinc/93/21/27/211932127.db2.gz YWDNMAJYNLWDAD-UHFFFAOYSA-N 1 2 339.461 1.751 40 0 EDABLO CCn1cc(C[N@@H+]2CCn3c(CO)nnc3C2)c2ccc(F)cc21 ZINC000012222308 211323860 /nfs/dbraw/zinc/32/38/60/211323860.db2.gz ILDOLPHMRFHIBA-UHFFFAOYSA-N 1 2 329.379 1.900 40 0 EDABLO CCn1cc(C[N@H+]2CCn3c(CO)nnc3C2)c2ccc(F)cc21 ZINC000012222308 211323862 /nfs/dbraw/zinc/32/38/62/211323862.db2.gz ILDOLPHMRFHIBA-UHFFFAOYSA-N 1 2 329.379 1.900 40 0 EDABLO COc1ccc(S(=O)(=O)N2CCOC[C@@H]2c2[nH]cc(C)[nH+]2)cc1 ZINC000257286905 295193195 /nfs/dbraw/zinc/19/31/95/295193195.db2.gz PNOYZNPMJXKAOL-CQSZACIVSA-N 1 2 337.401 1.489 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257266795 301079561 /nfs/dbraw/zinc/07/95/61/301079561.db2.gz MEOCJRYMQNLALW-SFHVURJKSA-N 1 2 342.447 1.732 40 0 EDABLO [NH3+]c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(-n2cnnc2)c1 ZINC000070461825 441112851 /nfs/dbraw/zinc/11/28/51/441112851.db2.gz CZXIQCNVRZCRON-UHFFFAOYSA-N 1 2 348.410 1.812 40 0 EDABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000096054359 442001136 /nfs/dbraw/zinc/00/11/36/442001136.db2.gz TWBYGZAIOVBLOP-MSOLQXFVSA-N 1 2 328.416 1.772 40 0 EDABLO Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000096054359 442001142 /nfs/dbraw/zinc/00/11/42/442001142.db2.gz TWBYGZAIOVBLOP-MSOLQXFVSA-N 1 2 328.416 1.772 40 0 EDABLO Cc1occc1C(=O)N1CCn2c(Cn3cncn3)c[nH+]c2[C@H]1C ZINC000096062099 442009330 /nfs/dbraw/zinc/00/93/30/442009330.db2.gz ARZKFQVPOMBITP-LLVKDONJSA-N 1 2 326.360 1.641 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@@H+](Cc4cccnc4)[C@H]3CC2)nc1 ZINC000096082234 442022755 /nfs/dbraw/zinc/02/27/55/442022755.db2.gz ZXQQEGDPMKIJRO-DLBZAZTESA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@H+](Cc4cccnc4)[C@H]3CC2)nc1 ZINC000096082234 442022763 /nfs/dbraw/zinc/02/27/63/442022763.db2.gz ZXQQEGDPMKIJRO-DLBZAZTESA-N 1 2 325.416 1.741 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 ZINC000096226570 442095287 /nfs/dbraw/zinc/09/52/87/442095287.db2.gz RUBQNXTTWAPDDC-QGZVFWFLSA-N 1 2 346.410 1.221 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ncc(F)cn4)C3)C2)cn1 ZINC000096226570 442095290 /nfs/dbraw/zinc/09/52/90/442095290.db2.gz RUBQNXTTWAPDDC-QGZVFWFLSA-N 1 2 346.410 1.221 40 0 EDABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000096198610 442073268 /nfs/dbraw/zinc/07/32/68/442073268.db2.gz KZDRHVIIGDEPPD-JKSUJKDBSA-N 1 2 328.416 1.720 40 0 EDABLO Cn1nnc2c1[C@H](COCc1ccccc1)C[N@H+]([C@@H]1CCOC1)C2 ZINC000096198610 442073276 /nfs/dbraw/zinc/07/32/76/442073276.db2.gz KZDRHVIIGDEPPD-JKSUJKDBSA-N 1 2 328.416 1.720 40 0 EDABLO O=C(c1ccno1)N1CC[C@@H]2OCC[N@H+](Cc3cccnc3)[C@H]2CC1 ZINC000096249387 442102651 /nfs/dbraw/zinc/10/26/51/442102651.db2.gz ZWELSOUNLGQTRH-HOTGVXAUSA-N 1 2 342.399 1.575 40 0 EDABLO O=C(c1ccno1)N1CC[C@@H]2OCC[N@@H+](Cc3cccnc3)[C@H]2CC1 ZINC000096249387 442102658 /nfs/dbraw/zinc/10/26/58/442102658.db2.gz ZWELSOUNLGQTRH-HOTGVXAUSA-N 1 2 342.399 1.575 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1cc[nH]n1)CC2 ZINC000096254605 442106284 /nfs/dbraw/zinc/10/62/84/442106284.db2.gz CHQDIVUSPHDYME-UHFFFAOYSA-N 1 2 343.435 1.327 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1ccn[nH]1)CC2 ZINC000096254605 442106286 /nfs/dbraw/zinc/10/62/86/442106286.db2.gz CHQDIVUSPHDYME-UHFFFAOYSA-N 1 2 343.435 1.327 40 0 EDABLO COCC(=O)NCC[C@H]1C[N@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000247880153 442871152 /nfs/dbraw/zinc/87/11/52/442871152.db2.gz BWXZEHZSVCTAMF-KRWDZBQOSA-N 1 2 342.443 1.901 40 0 EDABLO COCC(=O)NCC[C@H]1C[N@@H+](Cc2cccc(C)c2)Cc2ccnn21 ZINC000247880153 442871153 /nfs/dbraw/zinc/87/11/53/442871153.db2.gz BWXZEHZSVCTAMF-KRWDZBQOSA-N 1 2 342.443 1.901 40 0 EDABLO O=C(c1cocn1)N1Cc2c[nH+]cn2[C@H](COCc2ccncc2)C1 ZINC000247889817 442872587 /nfs/dbraw/zinc/87/25/87/442872587.db2.gz YCRZWDXUYHUPIK-HNNXBMFYSA-N 1 2 339.355 1.680 40 0 EDABLO Cn1nccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000248019442 442877163 /nfs/dbraw/zinc/87/71/63/442877163.db2.gz HFYWGASZGIBICT-CQSZACIVSA-N 1 2 344.415 1.424 40 0 EDABLO COCCNC(=O)[C@@H]1C[N@H+](Cc2scnc2C)Cc2ncn(C)c21 ZINC000248029512 442878089 /nfs/dbraw/zinc/87/80/89/442878089.db2.gz KUAHZYKBZDJLTO-GFCCVEGCSA-N 1 2 349.460 1.047 40 0 EDABLO COCCNC(=O)[C@@H]1C[N@@H+](Cc2scnc2C)Cc2ncn(C)c21 ZINC000248029512 442878092 /nfs/dbraw/zinc/87/80/92/442878092.db2.gz KUAHZYKBZDJLTO-GFCCVEGCSA-N 1 2 349.460 1.047 40 0 EDABLO CN(C)C(=O)COCC[C@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248029218 442878631 /nfs/dbraw/zinc/87/86/31/442878631.db2.gz STWHYFYTAXFDDU-HNNXBMFYSA-N 1 2 333.432 1.167 40 0 EDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)n(C)n1 ZINC000248070315 442880597 /nfs/dbraw/zinc/88/05/97/442880597.db2.gz XHODMJNTTMZTFG-INIZCTEOSA-N 1 2 341.459 1.688 40 0 EDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](C(=O)NCC3CC3)C2)n(C)n1 ZINC000248070315 442880601 /nfs/dbraw/zinc/88/06/01/442880601.db2.gz XHODMJNTTMZTFG-INIZCTEOSA-N 1 2 341.459 1.688 40 0 EDABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C)s3)C2)nc[nH+]1 ZINC000257228353 443124198 /nfs/dbraw/zinc/12/41/98/443124198.db2.gz FTMRLSFRNDMRMP-INIZCTEOSA-N 1 2 347.444 1.259 40 0 EDABLO CNc1cc(N2CC[C@](O)(CNC(=O)c3ccc(C)s3)C2)[nH+]cn1 ZINC000257228353 443124199 /nfs/dbraw/zinc/12/41/99/443124199.db2.gz FTMRLSFRNDMRMP-INIZCTEOSA-N 1 2 347.444 1.259 40 0 EDABLO Cc1nc(C[C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc(C(N)=O)n1 ZINC000257333397 443151696 /nfs/dbraw/zinc/15/16/96/443151696.db2.gz YBJDZBGWWRHEHQ-ZDUSSCGKSA-N 1 2 326.404 1.441 40 0 EDABLO C[N@@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306123442 444284598 /nfs/dbraw/zinc/28/45/98/444284598.db2.gz ANAMXKFZMSESGP-UHFFFAOYSA-N 1 2 341.415 1.711 40 0 EDABLO C[N@H+]1Cc2nnc(-c3ccco3)n2C2(CCN(C(=O)C3CC3)CC2)C1 ZINC000306123442 444284601 /nfs/dbraw/zinc/28/46/01/444284601.db2.gz ANAMXKFZMSESGP-UHFFFAOYSA-N 1 2 341.415 1.711 40 0 EDABLO OCCCNc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329017457 444446398 /nfs/dbraw/zinc/44/63/98/444446398.db2.gz NMGSCLMAUGIWLK-UHFFFAOYSA-N 1 2 336.399 1.184 40 0 EDABLO Cc1cc(CN2Cc3[nH+]cn(C)c3C[C@@H]2CNc2ncccn2)no1 ZINC000585094728 448676739 /nfs/dbraw/zinc/67/67/39/448676739.db2.gz JJWKMHLARBEGQL-CQSZACIVSA-N 1 2 339.403 1.546 40 0 EDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585096004 448678658 /nfs/dbraw/zinc/67/86/58/448678658.db2.gz KCQLBTPMLOXMQZ-DFBGVHRSSA-N 1 2 344.440 1.800 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCO2)C1 ZINC000585095997 448678871 /nfs/dbraw/zinc/67/88/71/448678871.db2.gz JZJJGCGMLXRWGZ-CYBMUJFWSA-N 1 2 330.344 1.146 40 0 EDABLO Cc1cc(N2CCC[C@@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)nc[nH+]1 ZINC000072378166 216179263 /nfs/dbraw/zinc/17/92/63/216179263.db2.gz PAWBEOQPZRBQAX-CQSZACIVSA-N 1 2 340.431 1.969 40 0 EDABLO COC(=O)C1CCN(C(=O)c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000022914017 212334461 /nfs/dbraw/zinc/33/44/61/212334461.db2.gz HEDSXFINCMEFMX-UHFFFAOYSA-N 1 2 346.427 1.544 40 0 EDABLO Cc1nccnc1CC[C@@H]1COCCN1C(=O)CCCn1cc[nH+]c1 ZINC000257205214 244131304 /nfs/dbraw/zinc/13/13/04/244131304.db2.gz AYCICNYGKBMSML-MRXNPFEDSA-N 1 2 343.431 1.622 40 0 EDABLO COCC(=O)N1CCC[C@H](Cc2nccnc2-c2c[nH+]c(C)n2C)C1 ZINC000257243209 244251202 /nfs/dbraw/zinc/25/12/02/244251202.db2.gz IFWSROFJTYBFLD-CQSZACIVSA-N 1 2 343.431 1.613 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O ZINC000257249579 244266665 /nfs/dbraw/zinc/26/66/65/244266665.db2.gz JIZBUFABMINMCH-MRXNPFEDSA-N 1 2 328.416 1.117 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O ZINC000257249579 244266670 /nfs/dbraw/zinc/26/66/70/244266670.db2.gz JIZBUFABMINMCH-MRXNPFEDSA-N 1 2 328.416 1.117 40 0 EDABLO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000257260048 244292912 /nfs/dbraw/zinc/29/29/12/244292912.db2.gz LBDAIZCNFAPAHT-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)C[N@H+](C)Cc1cccnc1 ZINC000257260048 244292918 /nfs/dbraw/zinc/29/29/18/244292918.db2.gz LBDAIZCNFAPAHT-HNNXBMFYSA-N 1 2 329.404 1.145 40 0 EDABLO C[C@@H](CNC(=O)CCc1cn(C)c2ccccc12)[NH+]1CCOCC1 ZINC000019657535 212054548 /nfs/dbraw/zinc/05/45/48/212054548.db2.gz ONPDJFPWWKIQBM-HNNXBMFYSA-N 1 2 329.444 1.948 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CCc2nc3ccccc3c(=O)n2CC1 ZINC000019375962 212024038 /nfs/dbraw/zinc/02/40/38/212024038.db2.gz UTDMBKYJIVIGFT-UHFFFAOYSA-N 1 2 337.383 1.068 40 0 EDABLO COc1c2c(cc(C[C@@H]3C[C@H]([NH2+]C(C)C)C(=O)O3)c1OC)OCO2 ZINC000012401609 211368079 /nfs/dbraw/zinc/36/80/79/211368079.db2.gz GJCMIHNMGVKQCR-NEPJUHHUSA-N 1 2 337.372 1.657 40 0 EDABLO O=C(NCC[NH+]1CCOCC1)c1ccnn1-c1ccc2ccccn21 ZINC000096266948 262508131 /nfs/dbraw/zinc/50/81/31/262508131.db2.gz PYEMNJQGYLTDNX-UHFFFAOYSA-N 1 2 339.399 1.187 40 0 EDABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042920 441991213 /nfs/dbraw/zinc/99/12/13/441991213.db2.gz ZATJDQJNOSFVDU-AEGPPILISA-N 1 2 339.461 1.194 40 0 EDABLO COCCNC(=O)[C@@H]1C[C@@H]2CC[N@@H+](Cc3csc(C)n3)C[C@H]2O1 ZINC000096042920 441991220 /nfs/dbraw/zinc/99/12/20/441991220.db2.gz ZATJDQJNOSFVDU-AEGPPILISA-N 1 2 339.461 1.194 40 0 EDABLO O=C(C1CC=CC1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096066990 442014842 /nfs/dbraw/zinc/01/48/42/442014842.db2.gz XIRMFVYGJHQJNI-AWEZNQCLSA-N 1 2 328.416 1.430 40 0 EDABLO Cn1ccnc1C[NH+]1CCC2(CC1)CN(C(=O)c1ccco1)CCO2 ZINC000096158896 442048606 /nfs/dbraw/zinc/04/86/06/442048606.db2.gz QLOMFOIAQREUIO-UHFFFAOYSA-N 1 2 344.415 1.520 40 0 EDABLO Cn1ccnc1C[NH+]1CCC2(CC1)NC(=O)C[C@@H]2c1ccncc1 ZINC000096199902 442073944 /nfs/dbraw/zinc/07/39/44/442073944.db2.gz VRYSHNFDLJBEGJ-OAHLLOKOSA-N 1 2 325.416 1.453 40 0 EDABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000096207242 442082031 /nfs/dbraw/zinc/08/20/31/442082031.db2.gz NLJZXUCLUYLSQZ-CYBMUJFWSA-N 1 2 343.383 1.921 40 0 EDABLO O=C(c1ccncn1)N1Cc2c[nH+]cn2C[C@H](COCC2CCC2)C1 ZINC000096207821 442082095 /nfs/dbraw/zinc/08/20/95/442082095.db2.gz DGHHEFOMOBQCAV-OAHLLOKOSA-N 1 2 341.415 1.762 40 0 EDABLO CC(C)NC(=O)N1CCOC[C@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240471 442099109 /nfs/dbraw/zinc/09/91/09/442099109.db2.gz QXEBQERSMXHXLR-QAPCUYQASA-N 1 2 348.447 1.719 40 0 EDABLO O=C(C1CCOCC1)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000247884140 442871432 /nfs/dbraw/zinc/87/14/32/442871432.db2.gz WMQGPFSCRATGTD-INIZCTEOSA-N 1 2 342.399 1.667 40 0 EDABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNS(C)(=O)=O)CO3)s1 ZINC000248125504 442883159 /nfs/dbraw/zinc/88/31/59/442883159.db2.gz WUQKIPBXOPRDQD-ZDUSSCGKSA-N 1 2 344.502 1.587 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3cncnc3)CCN2C)c1 ZINC000257304720 443139213 /nfs/dbraw/zinc/13/92/13/443139213.db2.gz SMVYPLQJSIKTNN-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3cncnc3)CCN2C)c1 ZINC000257304720 443139217 /nfs/dbraw/zinc/13/92/17/443139217.db2.gz SMVYPLQJSIKTNN-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cncnc3)CC[N@@H+]2C)c1 ZINC000257304720 443139219 /nfs/dbraw/zinc/13/92/19/443139219.db2.gz SMVYPLQJSIKTNN-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3cncnc3)CC[N@H+]2C)c1 ZINC000257304720 443139223 /nfs/dbraw/zinc/13/92/23/443139223.db2.gz SMVYPLQJSIKTNN-QGZVFWFLSA-N 1 2 325.416 1.325 40 0 EDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cn1 ZINC000257306924 443140812 /nfs/dbraw/zinc/14/08/12/443140812.db2.gz SWPBTKOYRITQFD-INIZCTEOSA-N 1 2 348.428 1.137 40 0 EDABLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(-c2cncnc2)n1 ZINC000257310989 443142068 /nfs/dbraw/zinc/14/20/68/443142068.db2.gz UHLCHAPCBOCOSS-UHFFFAOYSA-N 1 2 341.415 1.379 40 0 EDABLO CN(C)C(=O)c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1 ZINC000225522229 443109973 /nfs/dbraw/zinc/10/99/73/443109973.db2.gz LYRCCYBAFWPBAX-UHFFFAOYSA-N 1 2 331.445 1.962 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cccs3)C2)nc[nH+]1 ZINC000257278662 443126870 /nfs/dbraw/zinc/12/68/70/443126870.db2.gz ODCUOCWDZZUOQG-QGZVFWFLSA-N 1 2 346.456 1.950 40 0 EDABLO COCCC(=O)N1CCC[C@@H](c2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000257336117 443152606 /nfs/dbraw/zinc/15/26/06/443152606.db2.gz YNGNEEJUXIKTLP-CQSZACIVSA-N 1 2 343.431 1.928 40 0 EDABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000257344756 443156996 /nfs/dbraw/zinc/15/69/96/443156996.db2.gz ZYOAOMGUCPSCIG-ZDUSSCGKSA-N 1 2 341.814 1.505 40 0 EDABLO CNC(=O)[C@@H]1CN(C(C)=O)CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000257344756 443156999 /nfs/dbraw/zinc/15/69/99/443156999.db2.gz ZYOAOMGUCPSCIG-ZDUSSCGKSA-N 1 2 341.814 1.505 40 0 EDABLO CC(C)n1cc(C[N@@H+]2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)cn1 ZINC000306139661 444287299 /nfs/dbraw/zinc/28/72/99/444287299.db2.gz TWSYGKSWOLHQOE-CQSZACIVSA-N 1 2 344.463 1.868 40 0 EDABLO CC(C)n1cc(C[N@H+]2CCn3cc(CC(=O)N(C)C)nc3[C@H]2C)cn1 ZINC000306139661 444287301 /nfs/dbraw/zinc/28/73/01/444287301.db2.gz TWSYGKSWOLHQOE-CQSZACIVSA-N 1 2 344.463 1.868 40 0 EDABLO Cn1c[nH+]c(CNC(=O)c2cccn(Cc3ccccc3F)c2=O)c1 ZINC000585171881 448715389 /nfs/dbraw/zinc/71/53/89/448715389.db2.gz JTCKALWEGIPLNN-UHFFFAOYSA-N 1 2 340.358 1.699 40 0 EDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)Cc1ccc(F)cc1OC ZINC000585094785 448677325 /nfs/dbraw/zinc/67/73/25/448677325.db2.gz MUPZPLKWIJPCMB-AWEZNQCLSA-N 1 2 347.390 1.710 40 0 EDABLO COCCNC(=O)[C@H]1CN(C(=O)c2cccc(C)c2)Cc2c[nH+]cn21 ZINC000585095689 448678799 /nfs/dbraw/zinc/67/87/99/448678799.db2.gz BWNYPSWYOMEQEX-MRXNPFEDSA-N 1 2 342.399 1.151 40 0 EDABLO O=C(NCC1CCOCC1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095978 448678909 /nfs/dbraw/zinc/67/89/09/448678909.db2.gz HRTYFXRMYPUIMA-MRXNPFEDSA-N 1 2 346.431 1.109 40 0 EDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3ccc(Cl)cc32)CC1 ZINC000225736698 535623148 /nfs/dbraw/zinc/62/31/48/535623148.db2.gz TYNZGYSQLVSWTO-UHFFFAOYSA-N 1 2 333.819 1.819 40 0 EDABLO Cc1nc(=O)c2ccccc2n1C1=CC[N@H+](CC(=O)NC(C)C)CC1 ZINC000072348244 216160466 /nfs/dbraw/zinc/16/04/66/216160466.db2.gz LLHYTPUSJXUCBD-UHFFFAOYSA-N 1 2 340.427 1.776 40 0 EDABLO Cc1nc(=O)c2ccccc2n1C1=CC[N@@H+](CC(=O)NC(C)C)CC1 ZINC000072348244 216160468 /nfs/dbraw/zinc/16/04/68/216160468.db2.gz LLHYTPUSJXUCBD-UHFFFAOYSA-N 1 2 340.427 1.776 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc[nH+]1 ZINC000072369439 216175560 /nfs/dbraw/zinc/17/55/60/216175560.db2.gz USAPOULGTNZVEV-OAHLLOKOSA-N 1 2 340.427 1.866 40 0 EDABLO Cc1nc(N2CCC[C@H](c3ncncc3S(C)(=O)=O)C2)cc[nH+]1 ZINC000072369049 216176473 /nfs/dbraw/zinc/17/64/73/216176473.db2.gz PBJXJROLYAACNF-LBPRGKRZSA-N 1 2 333.417 1.363 40 0 EDABLO CCCn1cc[nH+]c1CN1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257206891 244136858 /nfs/dbraw/zinc/13/68/58/244136858.db2.gz BFIXHVGTEHKVTP-OAHLLOKOSA-N 1 2 331.420 1.622 40 0 EDABLO Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCN(c2cc(C)[nH+]cn2)C1 ZINC000257207238 244137226 /nfs/dbraw/zinc/13/72/26/244137226.db2.gz BGYZEFNZPLIRAK-KRWDZBQOSA-N 1 2 346.456 1.868 40 0 EDABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000257215685 244168240 /nfs/dbraw/zinc/16/82/40/244168240.db2.gz CRFBCSKVBVTQLC-LBPRGKRZSA-N 1 2 346.460 1.911 40 0 EDABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Nc2nc(C)cs2)C1 ZINC000257215685 244168247 /nfs/dbraw/zinc/16/82/47/244168247.db2.gz CRFBCSKVBVTQLC-LBPRGKRZSA-N 1 2 346.460 1.911 40 0 EDABLO CCCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257275562 244392129 /nfs/dbraw/zinc/39/21/29/244392129.db2.gz NPWZZIKDGDHEEK-SFHVURJKSA-N 1 2 344.415 1.736 40 0 EDABLO CCCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257275561 244392296 /nfs/dbraw/zinc/39/22/96/244392296.db2.gz NPWZZIKDGDHEEK-GOSISDBHSA-N 1 2 344.415 1.736 40 0 EDABLO O=C(c1cccs1)N1Cc2[nH+]ccn2C[C@H](Cn2cncn2)C1 ZINC000096188642 296268376 /nfs/dbraw/zinc/26/83/76/296268376.db2.gz WYWCTYSOIHRNRW-LBPRGKRZSA-N 1 2 328.401 1.509 40 0 EDABLO O=C(c1cncnc1)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128287 296291544 /nfs/dbraw/zinc/29/15/44/296291544.db2.gz IKDJHDNLXPEFDK-INIZCTEOSA-N 1 2 335.367 1.777 40 0 EDABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253592368 289099142 /nfs/dbraw/zinc/09/91/42/289099142.db2.gz VPKMQUAXEYGUHL-CQSZACIVSA-N 1 2 330.432 1.698 40 0 EDABLO C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253592368 289099146 /nfs/dbraw/zinc/09/91/46/289099146.db2.gz VPKMQUAXEYGUHL-CQSZACIVSA-N 1 2 330.432 1.698 40 0 EDABLO C[NH+]1CCN(C(=O)c2nnc3sc(-c4ccccc4F)nn32)CC1 ZINC000057354682 441110714 /nfs/dbraw/zinc/11/07/14/441110714.db2.gz QVVPRHADBGXSHQ-UHFFFAOYSA-N 1 2 346.391 1.380 40 0 EDABLO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@H+]1Cc1cccnc1 ZINC000096109717 442035012 /nfs/dbraw/zinc/03/50/12/442035012.db2.gz JOAAWDADLUBYQI-AWEZNQCLSA-N 1 2 343.431 1.460 40 0 EDABLO C[C@H]1c2ncc(COCC(=O)N(C)C)n2CC[N@@H+]1Cc1cccnc1 ZINC000096109717 442035016 /nfs/dbraw/zinc/03/50/16/442035016.db2.gz JOAAWDADLUBYQI-AWEZNQCLSA-N 1 2 343.431 1.460 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@]3(CCCN(c4ncccc4F)C3)C2)cn1 ZINC000096226396 442094763 /nfs/dbraw/zinc/09/47/63/442094763.db2.gz QHNNAOLRGBVUPE-GOSISDBHSA-N 1 2 345.422 1.826 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@]3(CCCN(c4ncccc4F)C3)C2)cn1 ZINC000096226396 442094769 /nfs/dbraw/zinc/09/47/69/442094769.db2.gz QHNNAOLRGBVUPE-GOSISDBHSA-N 1 2 345.422 1.826 40 0 EDABLO COCC[N@@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185173 442059334 /nfs/dbraw/zinc/05/93/34/442059334.db2.gz WYFLRHKQRZKZSG-BBRMVZONSA-N 1 2 339.461 1.388 40 0 EDABLO COCC[N@H+]1C[C@@H]2C[NH+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185173 442059336 /nfs/dbraw/zinc/05/93/36/442059336.db2.gz WYFLRHKQRZKZSG-BBRMVZONSA-N 1 2 339.461 1.388 40 0 EDABLO COCC[NH+]1C[C@@H]2C[N@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185173 442059338 /nfs/dbraw/zinc/05/93/38/442059338.db2.gz WYFLRHKQRZKZSG-BBRMVZONSA-N 1 2 339.461 1.388 40 0 EDABLO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3nccs3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185173 442059341 /nfs/dbraw/zinc/05/93/41/442059341.db2.gz WYFLRHKQRZKZSG-BBRMVZONSA-N 1 2 339.461 1.388 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187932 442065108 /nfs/dbraw/zinc/06/51/08/442065108.db2.gz XAALOYYZAOHODC-CYBMUJFWSA-N 1 2 325.434 1.234 40 0 EDABLO Cc1cnc(N2CCc3[nH+]cc(CNC(=O)C4CCC4)n3CC2)nc1 ZINC000096197064 442069863 /nfs/dbraw/zinc/06/98/63/442069863.db2.gz QEMWDDBOLZHQLL-UHFFFAOYSA-N 1 2 340.431 1.461 40 0 EDABLO O=C(c1cnccn1)N1CCN(Cc2cccnc2)c2[nH+]cccc2C1 ZINC000096198946 442072481 /nfs/dbraw/zinc/07/24/81/442072481.db2.gz YFYQFXZDVPVCDK-UHFFFAOYSA-N 1 2 346.394 1.929 40 0 EDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)CC1 ZINC000156779079 442520513 /nfs/dbraw/zinc/52/05/13/442520513.db2.gz ZVFQXUXWYWSDFO-UHFFFAOYSA-N 1 2 346.836 1.453 40 0 EDABLO Cc1nc(CN2Cc3c[nH+]cn3[C@H](C(=O)N3CCCCO3)C2)cs1 ZINC000247966971 442875578 /nfs/dbraw/zinc/87/55/78/442875578.db2.gz QXFNGZGRTPGVCV-HNNXBMFYSA-N 1 2 347.444 1.759 40 0 EDABLO CCOC[C@H]1CN(C(=O)Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000253383382 443052016 /nfs/dbraw/zinc/05/20/16/443052016.db2.gz LJJGAPREZHTPQA-OAHLLOKOSA-N 1 2 343.383 1.774 40 0 EDABLO Cc1[nH+]cc(-c2nccnc2C2CCN(S(C)(=O)=O)CC2)n1C ZINC000257324726 443148066 /nfs/dbraw/zinc/14/80/66/443148066.db2.gz WPWKGWVGCGLLJK-UHFFFAOYSA-N 1 2 335.433 1.325 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257300003 443137800 /nfs/dbraw/zinc/13/78/00/443137800.db2.gz RSNDGHIBLXZRLA-HOTGVXAUSA-N 1 2 325.430 1.206 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257300003 443137806 /nfs/dbraw/zinc/13/78/06/443137806.db2.gz RSNDGHIBLXZRLA-HOTGVXAUSA-N 1 2 325.430 1.206 40 0 EDABLO Cc1cccc(OC[C@]2(O)CC[N@H+](CC(=O)Nc3ccccn3)C2)c1 ZINC000585276106 448722068 /nfs/dbraw/zinc/72/20/68/448722068.db2.gz JVKXMFAYUCHCEQ-IBGZPJMESA-N 1 2 341.411 1.844 40 0 EDABLO Cc1cccc(OC[C@]2(O)CC[N@@H+](CC(=O)Nc3ccccn3)C2)c1 ZINC000585276106 448722074 /nfs/dbraw/zinc/72/20/74/448722074.db2.gz JVKXMFAYUCHCEQ-IBGZPJMESA-N 1 2 341.411 1.844 40 0 EDABLO Cc1cccc(OC[C@@]2(O)COCC[N@H+](Cc3cnccn3)C2)c1 ZINC000585269373 448717036 /nfs/dbraw/zinc/71/70/36/448717036.db2.gz QOZAPKPBDILWTF-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1cccc(OC[C@@]2(O)COCC[N@@H+](Cc3cnccn3)C2)c1 ZINC000585269373 448717042 /nfs/dbraw/zinc/71/70/42/448717042.db2.gz QOZAPKPBDILWTF-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO CCn1cncc1C[N@@H+]1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585275224 448719872 /nfs/dbraw/zinc/71/98/72/448719872.db2.gz ASQVRQPQFDNSAM-GOSISDBHSA-N 1 2 349.406 1.684 40 0 EDABLO CCn1cncc1C[N@H+]1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585275224 448719876 /nfs/dbraw/zinc/71/98/76/448719876.db2.gz ASQVRQPQFDNSAM-GOSISDBHSA-N 1 2 349.406 1.684 40 0 EDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccnc2)C1 ZINC000585095990 448678721 /nfs/dbraw/zinc/67/87/21/448678721.db2.gz IEEKHOLNKFHCJZ-OAHLLOKOSA-N 1 2 327.388 1.278 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)c2oc3ccccc3c2C)Cc2c[nH+]cn21 ZINC000585096058 448679818 /nfs/dbraw/zinc/67/98/18/448679818.db2.gz PKWNVAFPJWJVSA-CQSZACIVSA-N 1 2 338.367 1.881 40 0 EDABLO CCOCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096047 448680159 /nfs/dbraw/zinc/68/01/59/448680159.db2.gz OVWLWPGJYGNIKB-CQSZACIVSA-N 1 2 348.428 1.181 40 0 EDABLO COCC(=O)N1CCn2c(CCOc3ccccn3)c[nH+]c2[C@H]1C ZINC000585097063 448681368 /nfs/dbraw/zinc/68/13/68/448681368.db2.gz FHZVWOMAYSGQHF-CYBMUJFWSA-N 1 2 330.388 1.449 40 0 EDABLO Cn1cc[nH+]c1CN1CCOC[C@](O)(COc2ccc(F)cc2)C1 ZINC000585269007 485893704 /nfs/dbraw/zinc/89/37/04/485893704.db2.gz HFJYCHSOQLEDDF-KRWDZBQOSA-N 1 2 335.379 1.202 40 0 EDABLO CO[C@@]1(COc2ccccc2)COCC[N@H+](Cc2cncn2C)C1 ZINC000585268858 485893801 /nfs/dbraw/zinc/89/38/01/485893801.db2.gz BRFSRYREOVTBOB-GOSISDBHSA-N 1 2 331.416 1.717 40 0 EDABLO CO[C@@]1(COc2ccccc2)COCC[N@@H+](Cc2cncn2C)C1 ZINC000585268858 485893806 /nfs/dbraw/zinc/89/38/06/485893806.db2.gz BRFSRYREOVTBOB-GOSISDBHSA-N 1 2 331.416 1.717 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc[nH+]1 ZINC000257254418 536144681 /nfs/dbraw/zinc/14/46/81/536144681.db2.gz KCYRXVTYFOXBNX-CYBMUJFWSA-N 1 2 327.388 1.663 40 0 EDABLO Cc1noc(C)c1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257227810 244206841 /nfs/dbraw/zinc/20/68/41/244206841.db2.gz FQZMJJFLGVVZOX-SFHVURJKSA-N 1 2 344.415 1.790 40 0 EDABLO Cc1noc(C)c1CC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257235111 244226361 /nfs/dbraw/zinc/22/63/61/244226361.db2.gz GWMDXGYAJPEISN-GOSISDBHSA-N 1 2 344.415 1.377 40 0 EDABLO CCc1nnsc1C(=O)N(C)C[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257273258 244385883 /nfs/dbraw/zinc/38/58/83/244385883.db2.gz NFWNHECDCNJSMO-INIZCTEOSA-N 1 2 347.444 1.209 40 0 EDABLO CS(=O)(=O)c1snnc1[C@H]1CCCN(Cc2[nH]cc[nH+]2)C1 ZINC000012221433 211324292 /nfs/dbraw/zinc/32/42/92/211324292.db2.gz RFILROUYJAMUQM-VIFPVBQESA-N 1 2 327.435 1.044 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCCO)CC1 ZINC000012116390 211295510 /nfs/dbraw/zinc/29/55/10/211295510.db2.gz CSOAUBBWPCHHDR-UHFFFAOYSA-N 1 2 330.432 1.771 40 0 EDABLO COc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000248653310 286348759 /nfs/dbraw/zinc/34/87/59/286348759.db2.gz OOYZEOVBZUGCBR-MRXNPFEDSA-N 1 2 347.440 1.768 40 0 EDABLO COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000248653310 286348761 /nfs/dbraw/zinc/34/87/61/286348761.db2.gz OOYZEOVBZUGCBR-MRXNPFEDSA-N 1 2 347.440 1.768 40 0 EDABLO Cc1cccc(C(=O)N2CCn3c(Cn4cncn4)c[nH+]c3[C@H]2C)n1 ZINC000096062107 281192459 /nfs/dbraw/zinc/19/24/59/281192459.db2.gz URKQLAGYBRNVLO-CYBMUJFWSA-N 1 2 337.387 1.443 40 0 EDABLO Cc1n[nH]c2c1[C@H](c1ccccc1)N(CC[NH+]1CCOCC1)C2=O ZINC000015105844 441196444 /nfs/dbraw/zinc/19/64/44/441196444.db2.gz MKGQRZURBGZPEY-KRWDZBQOSA-N 1 2 326.400 1.596 40 0 EDABLO Cc1cc(NC(=O)C[NH+]2CCC3(CC2)CC=CCN(C)C3=O)no1 ZINC000019744753 441259518 /nfs/dbraw/zinc/25/95/18/441259518.db2.gz GUCDTCSJCSANTJ-UHFFFAOYSA-N 1 2 332.404 1.422 40 0 EDABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000096044869 441994280 /nfs/dbraw/zinc/99/42/80/441994280.db2.gz SEEIEBZDWIBNFC-CQSZACIVSA-N 1 2 346.431 1.526 40 0 EDABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000096044869 441994286 /nfs/dbraw/zinc/99/42/86/441994286.db2.gz SEEIEBZDWIBNFC-CQSZACIVSA-N 1 2 346.431 1.526 40 0 EDABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3[C@@H](COCC(=O)N(C)C)C2)o1 ZINC000096044869 441994290 /nfs/dbraw/zinc/99/42/90/441994290.db2.gz SEEIEBZDWIBNFC-CQSZACIVSA-N 1 2 346.431 1.526 40 0 EDABLO Cn1cc(CN2CCOC[C@]3(CC[N@H+](Cc4nccs4)C3)C2)cn1 ZINC000096062422 442010570 /nfs/dbraw/zinc/01/05/70/442010570.db2.gz KBJNUIPOSUPNHB-KRWDZBQOSA-N 1 2 347.488 1.601 40 0 EDABLO Cn1cc(CN2CCOC[C@]3(CC[N@@H+](Cc4nccs4)C3)C2)cn1 ZINC000096062422 442010577 /nfs/dbraw/zinc/01/05/77/442010577.db2.gz KBJNUIPOSUPNHB-KRWDZBQOSA-N 1 2 347.488 1.601 40 0 EDABLO O=C(Cc1ccccc1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096067059 442014758 /nfs/dbraw/zinc/01/47/58/442014758.db2.gz PYSBIJPFSWJKFU-QGZVFWFLSA-N 1 2 335.411 1.981 40 0 EDABLO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1[C@@H](C(=O)NC)c1cccc(O)c1 ZINC000096113050 442037984 /nfs/dbraw/zinc/03/79/84/442037984.db2.gz NIPRIDGITKBKMA-JKSUJKDBSA-N 1 2 333.432 1.512 40 0 biogenic,in-vitro EDABLO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1[C@@H](C(=O)NC)c1cccc(O)c1 ZINC000096113050 442037989 /nfs/dbraw/zinc/03/79/89/442037989.db2.gz NIPRIDGITKBKMA-JKSUJKDBSA-N 1 2 333.432 1.512 40 0 biogenic,in-vitro EDABLO COCCNc1ccnc([C@@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096220490 442091470 /nfs/dbraw/zinc/09/14/70/442091470.db2.gz ZYFFEGFEHCYMLR-HNNXBMFYSA-N 1 2 336.436 1.335 40 0 EDABLO COCCNc1ccnc([C@@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096220490 442091477 /nfs/dbraw/zinc/09/14/77/442091477.db2.gz ZYFFEGFEHCYMLR-HNNXBMFYSA-N 1 2 336.436 1.335 40 0 EDABLO c1nnc(N2CCC[C@]3(C2)C[N@H+](Cc2ccncc2)CCO3)s1 ZINC000096226626 442094795 /nfs/dbraw/zinc/09/47/95/442094795.db2.gz DICKWILIPLBOOQ-MRXNPFEDSA-N 1 2 331.445 1.805 40 0 EDABLO c1nnc(N2CCC[C@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)s1 ZINC000096226626 442094800 /nfs/dbraw/zinc/09/48/00/442094800.db2.gz DICKWILIPLBOOQ-MRXNPFEDSA-N 1 2 331.445 1.805 40 0 EDABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188034 442065272 /nfs/dbraw/zinc/06/52/72/442065272.db2.gz YDXFEMZBOXJEBZ-AWEZNQCLSA-N 1 2 330.388 1.352 40 0 EDABLO O=C(c1ccco1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188730 442067138 /nfs/dbraw/zinc/06/71/38/442067138.db2.gz GQBSZIIOGDSYOS-CYBMUJFWSA-N 1 2 339.355 1.005 40 0 EDABLO COc1cc(N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)ncn1 ZINC000247874504 442871583 /nfs/dbraw/zinc/87/15/83/442871583.db2.gz GLGXFAYZSFSPAQ-CQSZACIVSA-N 1 2 341.415 1.978 40 0 EDABLO CN(C)C(=O)[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2c[nH+]cn21 ZINC000248016074 442877020 /nfs/dbraw/zinc/87/70/20/442877020.db2.gz QFXIKUDRDQCCHX-CQSZACIVSA-N 1 2 328.372 1.257 40 0 EDABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N(C)C)CCO3)n1 ZINC000248014761 442877697 /nfs/dbraw/zinc/87/76/97/442877697.db2.gz QCZHKYBUFOVFMZ-INIZCTEOSA-N 1 2 333.432 1.228 40 0 EDABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N(C)C)CCO3)cc1 ZINC000248053435 442879019 /nfs/dbraw/zinc/87/90/19/442879019.db2.gz XWBVVOPKRXTGED-QGZVFWFLSA-N 1 2 348.443 1.533 40 0 EDABLO O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccncc1 ZINC000247430427 442853389 /nfs/dbraw/zinc/85/33/89/442853389.db2.gz UMBGXWNSKQACIP-RBSFLKMASA-N 1 2 344.440 1.415 40 0 EDABLO O=C(NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccncc1 ZINC000247430427 442853394 /nfs/dbraw/zinc/85/33/94/442853394.db2.gz UMBGXWNSKQACIP-RBSFLKMASA-N 1 2 344.440 1.415 40 0 EDABLO CNc1cc([C@H]2CCCN2C(=O)c2cc(OC)nc(OC)n2)cc[nH+]1 ZINC000257298505 443136682 /nfs/dbraw/zinc/13/66/82/443136682.db2.gz RLZODJCIKDELPW-CYBMUJFWSA-N 1 2 343.387 1.908 40 0 EDABLO CNc1ncccc1C[N@@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257238408 443125461 /nfs/dbraw/zinc/12/54/61/443125461.db2.gz HKWPWDLNFDHMDM-LLVKDONJSA-N 1 2 335.433 1.239 40 0 EDABLO CNc1ncccc1C[N@H+]1CC[C@@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257238408 443125464 /nfs/dbraw/zinc/12/54/64/443125464.db2.gz HKWPWDLNFDHMDM-LLVKDONJSA-N 1 2 335.433 1.239 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CC[N@@H+]1C(C)C ZINC000257281172 443127636 /nfs/dbraw/zinc/12/76/36/443127636.db2.gz ONYKERFNAUTZKO-KRWDZBQOSA-N 1 2 349.450 1.816 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)CCCc2ccc(F)cc2)CC[N@H+]1C(C)C ZINC000257281172 443127639 /nfs/dbraw/zinc/12/76/39/443127639.db2.gz ONYKERFNAUTZKO-KRWDZBQOSA-N 1 2 349.450 1.816 40 0 EDABLO Cc1csc(Nc2cc([C@@H]3CC[N@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000257285407 443131071 /nfs/dbraw/zinc/13/10/71/443131071.db2.gz PGYONDZVPUUGSJ-LLVKDONJSA-N 1 2 332.433 1.568 40 0 EDABLO Cc1csc(Nc2cc([C@@H]3CC[N@@H+](CC(N)=O)C3)nc(C)n2)n1 ZINC000257285407 443131076 /nfs/dbraw/zinc/13/10/76/443131076.db2.gz PGYONDZVPUUGSJ-LLVKDONJSA-N 1 2 332.433 1.568 40 0 EDABLO COCCN1CC[C@]2(C[N@H+](Cc3cnn(C)c3)CC(F)(F)C2)C1=O ZINC000585093169 448674490 /nfs/dbraw/zinc/67/44/90/448674490.db2.gz GYGWPINIHZONLB-HNNXBMFYSA-N 1 2 342.390 1.126 40 0 EDABLO COCCN1CC[C@]2(C[N@@H+](Cc3cnn(C)c3)CC(F)(F)C2)C1=O ZINC000585093169 448674495 /nfs/dbraw/zinc/67/44/95/448674495.db2.gz GYGWPINIHZONLB-HNNXBMFYSA-N 1 2 342.390 1.126 40 0 EDABLO Cn1cc(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585277477 448724447 /nfs/dbraw/zinc/72/44/47/448724447.db2.gz VMHKOSUQNWHXCN-RHSMWYFYSA-N 1 2 346.406 1.423 40 0 EDABLO Cn1cc(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585277477 448724453 /nfs/dbraw/zinc/72/44/53/448724453.db2.gz VMHKOSUQNWHXCN-RHSMWYFYSA-N 1 2 346.406 1.423 40 0 EDABLO Cn1cc(NC(=O)C[N@@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585277475 448724530 /nfs/dbraw/zinc/72/45/30/448724530.db2.gz VMHKOSUQNWHXCN-PBHICJAKSA-N 1 2 346.406 1.423 40 0 EDABLO Cn1cc(NC(=O)C[N@H+]2CC[C@H](O)[C@H](Cc3ccccc3F)C2)cn1 ZINC000585277475 448724536 /nfs/dbraw/zinc/72/45/36/448724536.db2.gz VMHKOSUQNWHXCN-PBHICJAKSA-N 1 2 346.406 1.423 40 0 EDABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)c(C)s1 ZINC000035784232 213049236 /nfs/dbraw/zinc/04/92/36/213049236.db2.gz YNXIEIOGPGCMAG-UHFFFAOYSA-N 1 2 345.490 1.132 40 0 EDABLO CC(=O)N1CCN(Cc2[nH]cc[nH+]2)C[C@H](COc2ccccc2)C1 ZINC000072374470 216177705 /nfs/dbraw/zinc/17/77/05/216177705.db2.gz PRYDBUXEJYTZAN-INIZCTEOSA-N 1 2 328.416 1.769 40 0 EDABLO CCc1[nH+]ccn1-c1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cn1 ZINC000257222846 244191804 /nfs/dbraw/zinc/19/18/04/244191804.db2.gz DUWSFYSDOJITMP-CYBMUJFWSA-N 1 2 348.428 1.089 40 0 EDABLO CO[C@H]1C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]12CCCO2 ZINC000257313734 244499432 /nfs/dbraw/zinc/49/94/32/244499432.db2.gz UTXALECYRNHVQZ-IRXDYDNUSA-N 1 2 339.457 1.860 40 0 EDABLO CO[C@H]1C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)CC[C@@]12CCCO2 ZINC000257313734 244499434 /nfs/dbraw/zinc/49/94/34/244499434.db2.gz UTXALECYRNHVQZ-IRXDYDNUSA-N 1 2 339.457 1.860 40 0 EDABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](CC)CC2)ccc1C ZINC000408627449 250307604 /nfs/dbraw/zinc/30/76/04/250307604.db2.gz ZTHICDWRIKADBX-UHFFFAOYSA-N 1 2 339.461 1.071 40 0 EDABLO O=C(c1ccno1)N1CC[C@H]2OCC[N@H+](Cc3cccnc3)[C@@H]2CC1 ZINC000107255111 280222088 /nfs/dbraw/zinc/22/20/88/280222088.db2.gz ZWELSOUNLGQTRH-HZPDHXFCSA-N 1 2 342.399 1.575 40 0 EDABLO O=C(c1ccno1)N1CC[C@H]2OCC[N@@H+](Cc3cccnc3)[C@@H]2CC1 ZINC000107255111 280222092 /nfs/dbraw/zinc/22/20/92/280222092.db2.gz ZWELSOUNLGQTRH-HZPDHXFCSA-N 1 2 342.399 1.575 40 0 EDABLO Cc1cc(=O)n2c(n1)NC(NCc1ccccn1)=[NH+][C@@H]2c1cccnc1 ZINC000014607550 441186508 /nfs/dbraw/zinc/18/65/08/441186508.db2.gz DSLKALQRYQRADC-INIZCTEOSA-N 1 2 347.382 1.460 40 0 EDABLO COc1ccc2c(c1)[nH]cc(NC(=O)NCCCn1cc[nH+]c1)c2=O ZINC000013566018 441161367 /nfs/dbraw/zinc/16/13/67/441161367.db2.gz UVHICAVMKMCELE-UHFFFAOYSA-N 1 2 341.371 1.945 40 0 EDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000019334419 441256842 /nfs/dbraw/zinc/25/68/42/441256842.db2.gz VUXVHCJSFHYSEQ-UHFFFAOYSA-N 1 2 342.399 1.283 40 0 EDABLO O=c1[nH]c(N2CCOCC2)nc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000019334419 441256844 /nfs/dbraw/zinc/25/68/44/441256844.db2.gz VUXVHCJSFHYSEQ-UHFFFAOYSA-N 1 2 342.399 1.283 40 0 EDABLO c1cn2c(n1)C[N@@H+]([C@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000107209066 441404196 /nfs/dbraw/zinc/40/41/96/441404196.db2.gz NNPROJCPTNVQQQ-RDJZCZTQSA-N 1 2 328.416 1.716 40 0 EDABLO c1cn2c(n1)C[N@H+]([C@H]1CCOC1)C[C@@H](COCc1ccccn1)C2 ZINC000107209066 441404198 /nfs/dbraw/zinc/40/41/98/441404198.db2.gz NNPROJCPTNVQQQ-RDJZCZTQSA-N 1 2 328.416 1.716 40 0 EDABLO CCOc1ccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095534266 441952180 /nfs/dbraw/zinc/95/21/80/441952180.db2.gz PQSNFOLSVDADNZ-HNNXBMFYSA-N 1 2 328.376 1.505 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044867 441993942 /nfs/dbraw/zinc/99/39/42/441993942.db2.gz SJBZHOVYAHNARS-CQSZACIVSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ncn(C)c21 ZINC000096044867 441993946 /nfs/dbraw/zinc/99/39/46/441993946.db2.gz SJBZHOVYAHNARS-CQSZACIVSA-N 1 2 348.472 1.686 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccco2)C1 ZINC000096059123 442007037 /nfs/dbraw/zinc/00/70/37/442007037.db2.gz YLSMMWIXFSNIDI-AWEZNQCLSA-N 1 2 332.404 1.213 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccco2)C1 ZINC000096059123 442007041 /nfs/dbraw/zinc/00/70/41/442007041.db2.gz YLSMMWIXFSNIDI-AWEZNQCLSA-N 1 2 332.404 1.213 40 0 EDABLO Cn1cccc1C(=O)N1CC[C@]2(C[C@@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219093 442090933 /nfs/dbraw/zinc/09/09/33/442090933.db2.gz KXUVOLYAJGAFII-KDOFPFPSSA-N 1 2 326.400 1.906 40 0 EDABLO O=C(c1ccncc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096159000 442049113 /nfs/dbraw/zinc/04/91/13/442049113.db2.gz CTIOGIKCXWVOPO-UHFFFAOYSA-N 1 2 338.411 1.988 40 0 EDABLO CCc1ccc(C[N@@H+]2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096185944 442060778 /nfs/dbraw/zinc/06/07/78/442060778.db2.gz FTTOCJABRVZRGY-ZOBUZTSGSA-N 1 2 345.399 1.992 40 0 EDABLO CCc1ccc(C[N@H+]2C[C@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096185944 442060781 /nfs/dbraw/zinc/06/07/81/442060781.db2.gz FTTOCJABRVZRGY-ZOBUZTSGSA-N 1 2 345.399 1.992 40 0 EDABLO COc1ncccc1C[N@@H+]1C[C@H](NC(=O)N(C)C)[C@@H]2OCCC[C@@H]21 ZINC000096185852 442061308 /nfs/dbraw/zinc/06/13/08/442061308.db2.gz GLLZVGDXRBALAT-KKUMJFAQSA-N 1 2 334.420 1.093 40 0 EDABLO COc1ncccc1C[N@H+]1C[C@H](NC(=O)N(C)C)[C@@H]2OCCC[C@@H]21 ZINC000096185852 442061315 /nfs/dbraw/zinc/06/13/15/442061315.db2.gz GLLZVGDXRBALAT-KKUMJFAQSA-N 1 2 334.420 1.093 40 0 EDABLO CCc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096186897 442063400 /nfs/dbraw/zinc/06/34/00/442063400.db2.gz FTTOCJABRVZRGY-VYDXJSESSA-N 1 2 345.399 1.992 40 0 EDABLO CCc1ccc(C[N@H+]2C[C@@H](NC(=O)c3ccno3)[C@@H]3OCCC[C@@H]32)o1 ZINC000096186897 442063402 /nfs/dbraw/zinc/06/34/02/442063402.db2.gz FTTOCJABRVZRGY-VYDXJSESSA-N 1 2 345.399 1.992 40 0 EDABLO O=C1CCCN1C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccccn2)C1 ZINC000096188427 442065890 /nfs/dbraw/zinc/06/58/90/442065890.db2.gz CUSRLRAUWNBDON-HNNXBMFYSA-N 1 2 325.416 1.533 40 0 EDABLO Cc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H](CN3CCCC3=O)C2)no1 ZINC000096188453 442065986 /nfs/dbraw/zinc/06/59/86/442065986.db2.gz SSSYPGPHVRMRJN-ZDUSSCGKSA-N 1 2 343.387 1.074 40 0 EDABLO CCOC(=O)C[NH+]1CCC2(CN(c3ccc4c(c3)OCO4)C2=O)CC1 ZINC000096202983 442079042 /nfs/dbraw/zinc/07/90/42/442079042.db2.gz LBACAFVNRLQWGU-UHFFFAOYSA-N 1 2 346.383 1.407 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@H]2[C@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000096250317 442104446 /nfs/dbraw/zinc/10/44/46/442104446.db2.gz SLDAZCPWSMHKSS-ZQIUZPCESA-N 1 2 344.415 1.423 40 0 EDABLO CN(C)C(=O)[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247985383 442876543 /nfs/dbraw/zinc/87/65/43/442876543.db2.gz KMYSEWITRKEAFN-KRWDZBQOSA-N 1 2 328.416 1.545 40 0 EDABLO CN(C)C(=O)[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247985383 442876548 /nfs/dbraw/zinc/87/65/48/442876548.db2.gz KMYSEWITRKEAFN-KRWDZBQOSA-N 1 2 328.416 1.545 40 0 EDABLO Cc1c[nH]c([C@H]2CCCN(C(=O)c3n[nH]c(=O)c4ccccc43)C2)[nH+]1 ZINC000257290630 443133510 /nfs/dbraw/zinc/13/35/10/443133510.db2.gz QDRHUTRMSVFNDB-LBPRGKRZSA-N 1 2 337.383 1.974 40 0 EDABLO CC(=O)NCc1cnc([C@@H]2C[N@H+](CCc3ccc(F)cc3)CCO2)[nH]1 ZINC000257321485 443145970 /nfs/dbraw/zinc/14/59/70/443145970.db2.gz WBWVWIJHWMOAGY-KRWDZBQOSA-N 1 2 346.406 1.801 40 0 EDABLO CC(=O)NCc1cnc([C@@H]2C[N@@H+](CCc3ccc(F)cc3)CCO2)[nH]1 ZINC000257321485 443145973 /nfs/dbraw/zinc/14/59/73/443145973.db2.gz WBWVWIJHWMOAGY-KRWDZBQOSA-N 1 2 346.406 1.801 40 0 EDABLO Cc1nccc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 ZINC000257332042 443151067 /nfs/dbraw/zinc/15/10/67/443151067.db2.gz XVMIJRWGTHFWNJ-QZTJIDSGSA-N 1 2 338.411 1.397 40 0 EDABLO Cc1nccc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 ZINC000257332042 443151069 /nfs/dbraw/zinc/15/10/69/443151069.db2.gz XVMIJRWGTHFWNJ-QZTJIDSGSA-N 1 2 338.411 1.397 40 0 EDABLO O=C1CO[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2N1Cc1ccccc1 ZINC000257336974 443153250 /nfs/dbraw/zinc/15/32/50/443153250.db2.gz YQWBHHRQRAJIKY-HZPDHXFCSA-N 1 2 329.425 1.755 40 0 EDABLO O=C1CO[C@@H]2C[N@@H+](Cc3cncs3)C[C@H]2N1Cc1ccccc1 ZINC000257336974 443153254 /nfs/dbraw/zinc/15/32/54/443153254.db2.gz YQWBHHRQRAJIKY-HZPDHXFCSA-N 1 2 329.425 1.755 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329052615 444458502 /nfs/dbraw/zinc/45/85/02/444458502.db2.gz VCXCQXLQANHZKW-CYBMUJFWSA-N 1 2 336.399 1.182 40 0 EDABLO COc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](C)CO)n2)cc(OC)c1 ZINC000329056771 444460629 /nfs/dbraw/zinc/46/06/29/444460629.db2.gz VUTGWYDOSIHFGH-LLVKDONJSA-N 1 2 344.415 1.751 40 0 EDABLO CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1ccccc1Cl ZINC000575420107 447857571 /nfs/dbraw/zinc/85/75/71/447857571.db2.gz FVSCTVJOIBIKNU-CHWSQXEVSA-N 1 2 346.836 1.341 40 0 EDABLO Cc1cccc(OC[C@@]2(O)CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC000585275425 448719727 /nfs/dbraw/zinc/71/97/27/448719727.db2.gz CCUWGOIHMIVEML-GOSISDBHSA-N 1 2 329.400 1.693 40 0 EDABLO CCOc1ccc(CCC(=O)N2Cc3[nH+]cn(C)c3C[C@H]2CO)cc1 ZINC000585094809 448677619 /nfs/dbraw/zinc/67/76/19/448677619.db2.gz NNWSRLUNLUMKRI-HNNXBMFYSA-N 1 2 343.427 1.697 40 0 EDABLO C[C@@H]1c2[nH+]cc(CCOc3ccccn3)n2CCN1S(C)(=O)=O ZINC000585097562 448682101 /nfs/dbraw/zinc/68/21/01/448682101.db2.gz LVCMFENGBJKABC-GFCCVEGCSA-N 1 2 336.417 1.236 40 0 EDABLO Cn1cc(CN2Cc3c[nH+]cn3CC[C@@H]2COc2ccccn2)cn1 ZINC000585097799 448683124 /nfs/dbraw/zinc/68/31/24/448683124.db2.gz QGACRDDFJZLBGM-MRXNPFEDSA-N 1 2 338.415 1.865 40 0 EDABLO CC(C)(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)[nH]n1 ZINC000257265617 535104594 /nfs/dbraw/zinc/10/45/94/535104594.db2.gz LZLSJSWADJBICP-SFHVURJKSA-N 1 2 343.431 1.473 40 0 EDABLO CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]12 ZINC000257250540 536299864 /nfs/dbraw/zinc/29/98/64/536299864.db2.gz JMXVUTKUNGOAAZ-OWCLPIDISA-N 1 2 340.431 1.437 40 0 EDABLO CCn1cc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cn1 ZINC000100775105 219106569 /nfs/dbraw/zinc/10/65/69/219106569.db2.gz OFXMSWKWMIKGOZ-UHFFFAOYSA-N 1 2 326.404 1.561 40 0 EDABLO CCn1cc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cn1 ZINC000100775105 219106570 /nfs/dbraw/zinc/10/65/70/219106570.db2.gz OFXMSWKWMIKGOZ-UHFFFAOYSA-N 1 2 326.404 1.561 40 0 EDABLO CN(C)c1ncc(C[N@@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000072355270 216164919 /nfs/dbraw/zinc/16/49/19/216164919.db2.gz OGQIXCAVXXOCFI-GOSISDBHSA-N 1 2 347.463 1.192 40 0 EDABLO CN(C)c1ncc(C[N@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)cn1 ZINC000072355270 216164922 /nfs/dbraw/zinc/16/49/22/216164922.db2.gz OGQIXCAVXXOCFI-GOSISDBHSA-N 1 2 347.463 1.192 40 0 EDABLO C[NH2+]CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3nncs3)n2)C1 ZINC000072360917 216167108 /nfs/dbraw/zinc/16/71/08/216167108.db2.gz UQHIWYZANUIZRT-NSHDSACASA-N 1 2 347.448 1.306 40 0 EDABLO O=C(CN1C(=O)N2CCC[NH+]=C2c2ccccc21)NCc1ccco1 ZINC000072335717 216157391 /nfs/dbraw/zinc/15/73/91/216157391.db2.gz LJQFXXKYHSMUOD-UHFFFAOYSA-N 1 2 338.367 1.988 40 0 EDABLO Cc1nn(CCC(=O)N[C@@H](C)C[NH+]2CCOCC2)c(C)c1Cl ZINC000022241431 212284877 /nfs/dbraw/zinc/28/48/77/212284877.db2.gz SATPLSHZPLBORP-NSHDSACASA-N 1 2 328.844 1.380 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000257208418 244142577 /nfs/dbraw/zinc/14/25/77/244142577.db2.gz BMBYDMLDMVXWLB-KRWDZBQOSA-N 1 2 326.400 1.686 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000257208418 244142583 /nfs/dbraw/zinc/14/25/83/244142583.db2.gz BMBYDMLDMVXWLB-KRWDZBQOSA-N 1 2 326.400 1.686 40 0 EDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccc(F)cn3)C[C@@H]2N1c1ccccc1 ZINC000257246141 244258725 /nfs/dbraw/zinc/25/87/25/244258725.db2.gz ISQLWCDPYXFCKC-IRXDYDNUSA-N 1 2 327.359 1.837 40 0 EDABLO O=C1CO[C@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2N1c1ccccc1 ZINC000257246141 244258731 /nfs/dbraw/zinc/25/87/31/244258731.db2.gz ISQLWCDPYXFCKC-IRXDYDNUSA-N 1 2 327.359 1.837 40 0 EDABLO CNc1ncccc1C[N@@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265779 244360855 /nfs/dbraw/zinc/36/08/55/244360855.db2.gz MAFIZEXIHARHCA-OAHLLOKOSA-N 1 2 329.404 1.453 40 0 EDABLO CNc1ncccc1C[N@H+]1CCO[C@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257265779 244360860 /nfs/dbraw/zinc/36/08/60/244360860.db2.gz MAFIZEXIHARHCA-OAHLLOKOSA-N 1 2 329.404 1.453 40 0 EDABLO Cc1c[nH]c([C@H]2CCCN2C(=O)Cn2c(=O)oc3ccccc32)[nH+]1 ZINC000257275738 244392301 /nfs/dbraw/zinc/39/23/01/244392301.db2.gz NQRLGOGDSTYILE-CYBMUJFWSA-N 1 2 326.356 1.990 40 0 EDABLO CNc1cccc([C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257306806 244478631 /nfs/dbraw/zinc/47/86/31/244478631.db2.gz SVZYDMBSOUBBMK-HNNXBMFYSA-N 1 2 329.404 1.700 40 0 EDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1C)[NH2+][C@@]2(C)C(=O)OC ZINC000019526742 285174874 /nfs/dbraw/zinc/17/48/74/285174874.db2.gz SEKYBLVOEUSLDW-UYAYXHRUSA-N 1 2 330.384 1.192 40 0 EDABLO O=C(NC1CCCC1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188600 295614880 /nfs/dbraw/zinc/61/48/80/295614880.db2.gz NIOMFOXOOBHRGS-CQSZACIVSA-N 1 2 328.420 1.864 40 0 EDABLO C[C@H]1C[NH+](CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)C[C@H](C)O1 ZINC000046237733 441094708 /nfs/dbraw/zinc/09/47/08/441094708.db2.gz HJLLRWIZYNEJAF-HRCADAONSA-N 1 2 345.443 1.265 40 0 EDABLO O=C([O-])[C@@H](CC(=O)Nc1cccc(O)c1)[NH2+]CCCn1cc[nH+]c1 ZINC000016768145 441232247 /nfs/dbraw/zinc/23/22/47/441232247.db2.gz BLXNZWMFTLUWGY-CQSZACIVSA-N 1 2 332.360 1.050 40 0 EDABLO OCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)o1 ZINC000015674498 441207544 /nfs/dbraw/zinc/20/75/44/441207544.db2.gz XDRBBILVLHIRKA-DOMZBBRYSA-N 1 2 342.355 1.525 40 0 biogenic,in-vitro EDABLO OCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3cccnc3)no2)o1 ZINC000015674498 441207546 /nfs/dbraw/zinc/20/75/46/441207546.db2.gz XDRBBILVLHIRKA-DOMZBBRYSA-N 1 2 342.355 1.525 40 0 biogenic,in-vitro EDABLO O=C1CO[C@@]2(CN1c1ccoc1)COCC[N@H+](Cc1ccccn1)C2 ZINC000096051403 441999142 /nfs/dbraw/zinc/99/91/42/441999142.db2.gz RVYZURWQMNSMHY-SFHVURJKSA-N 1 2 343.383 1.309 40 0 EDABLO O=C1CO[C@@]2(CN1c1ccoc1)COCC[N@@H+](Cc1ccccn1)C2 ZINC000096051403 441999149 /nfs/dbraw/zinc/99/91/49/441999149.db2.gz RVYZURWQMNSMHY-SFHVURJKSA-N 1 2 343.383 1.309 40 0 EDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000096113002 442037347 /nfs/dbraw/zinc/03/73/47/442037347.db2.gz OINNRSOCHLZRFF-JKSUJKDBSA-N 1 2 347.459 1.861 40 0 biogenic,in-vitro EDABLO CNC(=O)[C@@H](c1ccc(OC)cc1)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000096113002 442037348 /nfs/dbraw/zinc/03/73/48/442037348.db2.gz OINNRSOCHLZRFF-JKSUJKDBSA-N 1 2 347.459 1.861 40 0 biogenic,in-vitro EDABLO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1ccccn1)C2 ZINC000096229053 442096115 /nfs/dbraw/zinc/09/61/15/442096115.db2.gz QPBPDLDMCQELOL-IBGZPJMESA-N 1 2 341.459 1.934 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1ccccn1)C2 ZINC000096229053 442096125 /nfs/dbraw/zinc/09/61/25/442096125.db2.gz QPBPDLDMCQELOL-IBGZPJMESA-N 1 2 341.459 1.934 40 0 EDABLO O=C(c1ccoc1)N1Cc2[nH+]ccn2C[C@@H](Cn2ncccc2=O)C1 ZINC000096188732 442066931 /nfs/dbraw/zinc/06/69/31/442066931.db2.gz IIXHHVUTJRLRNB-CYBMUJFWSA-N 1 2 339.355 1.005 40 0 EDABLO C[NH+]1CCN(C(=O)c2nc3c(s2)CCCN3C(=O)C2CC2)CC1 ZINC000096264688 442109903 /nfs/dbraw/zinc/10/99/03/442109903.db2.gz BNWILWPDTIZLFO-UHFFFAOYSA-N 1 2 334.445 1.220 40 0 EDABLO COCC(=O)NC[C@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000247847705 442870432 /nfs/dbraw/zinc/87/04/32/442870432.db2.gz QBXWVQSPQGNWQP-HNNXBMFYSA-N 1 2 332.379 1.342 40 0 EDABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N(C)C)CS3)no1 ZINC000247981572 442876504 /nfs/dbraw/zinc/87/65/04/442876504.db2.gz JMGQBMCNFJGKPD-CYBMUJFWSA-N 1 2 325.434 1.148 40 0 EDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cccn1C ZINC000257300924 443137863 /nfs/dbraw/zinc/13/78/63/443137863.db2.gz RWGDCKGCNAJDJH-GOSISDBHSA-N 1 2 328.416 1.524 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccn3C)CC[N@@H+]2C)c1 ZINC000257282672 443129220 /nfs/dbraw/zinc/12/92/20/443129220.db2.gz OUTIIDPHCYBIIQ-KRWDZBQOSA-N 1 2 340.427 1.514 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccn3C)CC[N@H+]2C)c1 ZINC000257282672 443129225 /nfs/dbraw/zinc/12/92/25/443129225.db2.gz OUTIIDPHCYBIIQ-KRWDZBQOSA-N 1 2 340.427 1.514 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC[N@@H+]2C)cc1 ZINC000257333666 443152198 /nfs/dbraw/zinc/15/21/98/443152198.db2.gz YCNWEYLAPDADJP-AWEZNQCLSA-N 1 2 344.371 1.025 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)CC[N@H+]2C)cc1 ZINC000257333666 443152203 /nfs/dbraw/zinc/15/22/03/443152203.db2.gz YCNWEYLAPDADJP-AWEZNQCLSA-N 1 2 344.371 1.025 40 0 EDABLO C[C@H]1OCC[NH2+][C@@H]1c1nc(-c2cn(Cc3ccccc3)nn2)no1 ZINC000414642763 319335001 /nfs/dbraw/zinc/33/50/01/319335001.db2.gz WHXWIGZRYKHELP-RISCZKNCSA-N 1 2 326.360 1.426 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329055571 444460158 /nfs/dbraw/zinc/46/01/58/444460158.db2.gz VPHQGTZCGXNXHQ-CQSZACIVSA-N 1 2 335.411 1.787 40 0 EDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](C)CO)n2)cc1OC ZINC000329063355 444462104 /nfs/dbraw/zinc/46/21/04/444462104.db2.gz XDCZCIDITONUPJ-NSHDSACASA-N 1 2 344.415 1.751 40 0 EDABLO CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2 ZINC000585103123 448686541 /nfs/dbraw/zinc/68/65/41/448686541.db2.gz RFPVANRDRCSPKA-CYBMUJFWSA-N 1 2 344.502 1.668 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(F)c3)C2)C[N@@H+]1CC1CC1 ZINC000585109384 448689589 /nfs/dbraw/zinc/68/95/89/448689589.db2.gz MLBIBNQTLZPDFX-KRWDZBQOSA-N 1 2 347.434 1.237 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3cccc(F)c3)C2)C[N@H+]1CC1CC1 ZINC000585109384 448689592 /nfs/dbraw/zinc/68/95/92/448689592.db2.gz MLBIBNQTLZPDFX-KRWDZBQOSA-N 1 2 347.434 1.237 40 0 EDABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@@H]2C)CC3)ccn1 ZINC000585111096 448690877 /nfs/dbraw/zinc/69/08/77/448690877.db2.gz DELIARZNRAQQRT-JSGCOSHPSA-N 1 2 326.400 1.994 40 0 EDABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112694 448693662 /nfs/dbraw/zinc/69/36/62/448693662.db2.gz VIUDFRJRTFHKMZ-QGZVFWFLSA-N 1 2 348.472 1.688 40 0 EDABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCNS(C)(=O)=O)C2)c1 ZINC000585112694 448693667 /nfs/dbraw/zinc/69/36/67/448693667.db2.gz VIUDFRJRTFHKMZ-QGZVFWFLSA-N 1 2 348.472 1.688 40 0 EDABLO c1cc2n(n1)CC[C@@H](C[NH+]1CCOCC1)N(Cc1ccccn1)C2 ZINC000585096728 448680446 /nfs/dbraw/zinc/68/04/46/448680446.db2.gz BJZAQFRWVAHKHU-KRWDZBQOSA-N 1 2 327.432 1.385 40 0 EDABLO c1cc2n(n1)CC[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccn1)C2 ZINC000585096728 448680448 /nfs/dbraw/zinc/68/04/48/448680448.db2.gz BJZAQFRWVAHKHU-KRWDZBQOSA-N 1 2 327.432 1.385 40 0 EDABLO c1cc2n(n1)CC[C@@H](CN1CCOCC1)[N@H+](Cc1ccccn1)C2 ZINC000585096728 448680449 /nfs/dbraw/zinc/68/04/49/448680449.db2.gz BJZAQFRWVAHKHU-KRWDZBQOSA-N 1 2 327.432 1.385 40 0 EDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cnc(C)cn1)[C@H]2C ZINC000585098658 448684425 /nfs/dbraw/zinc/68/44/25/448684425.db2.gz WHXLMNGXQNXOQM-ZDUSSCGKSA-N 1 2 329.404 1.778 40 0 EDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccn2C)C3)C1 ZINC000072335614 216157931 /nfs/dbraw/zinc/15/79/31/216157931.db2.gz XJJAFRWAEQZFFI-AWEZNQCLSA-N 1 2 341.459 1.903 40 0 EDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccn2C)C3)C1 ZINC000072335614 216157934 /nfs/dbraw/zinc/15/79/34/216157934.db2.gz XJJAFRWAEQZFFI-AWEZNQCLSA-N 1 2 341.459 1.903 40 0 EDABLO Cc1nc(N2CCC[C@@H](c3ncncc3S(C)(=O)=O)C2)cc[nH+]1 ZINC000072369050 216175983 /nfs/dbraw/zinc/17/59/83/216175983.db2.gz PBJXJROLYAACNF-GFCCVEGCSA-N 1 2 333.417 1.363 40 0 EDABLO Cc1nonc1NC(=O)C[NH+]1CCC([C@H]2CCCCN(C)C2=O)CC1 ZINC000072372002 216177977 /nfs/dbraw/zinc/17/79/77/216177977.db2.gz GVPBCWGHMYOFKZ-CQSZACIVSA-N 1 2 349.435 1.287 40 0 EDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2CC(N)=O)n1 ZINC000072383616 216184049 /nfs/dbraw/zinc/18/40/49/216184049.db2.gz UTAJVZIIEJQJFY-CQSZACIVSA-N 1 2 326.404 1.936 40 0 EDABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2CC(N)=O)n1 ZINC000072383616 216184050 /nfs/dbraw/zinc/18/40/50/216184050.db2.gz UTAJVZIIEJQJFY-CQSZACIVSA-N 1 2 326.404 1.936 40 0 EDABLO CCN1C(=O)[C@@H]2[C@H](C1=O)[C@H](c1ccccc1C)[NH2+][C@]2(C)C(=O)OC ZINC000229994414 242222496 /nfs/dbraw/zinc/22/24/96/242222496.db2.gz SEKYBLVOEUSLDW-NUXNZHGMSA-N 1 2 330.384 1.192 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@@H+](Cc4cccnc4)[C@@H]3CC2)nc1 ZINC000253603637 244035177 /nfs/dbraw/zinc/03/51/77/244035177.db2.gz ZXQQEGDPMKIJRO-IAGOWNOFSA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@H+](Cc4cccnc4)[C@@H]3CC2)nc1 ZINC000253603637 244035185 /nfs/dbraw/zinc/03/51/85/244035185.db2.gz ZXQQEGDPMKIJRO-IAGOWNOFSA-N 1 2 325.416 1.741 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257209437 244145932 /nfs/dbraw/zinc/14/59/32/244145932.db2.gz BQJAOKOJFXJYLH-HOTGVXAUSA-N 1 2 325.430 1.206 40 0 EDABLO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1 ZINC000257209437 244145936 /nfs/dbraw/zinc/14/59/36/244145936.db2.gz BQJAOKOJFXJYLH-HOTGVXAUSA-N 1 2 325.430 1.206 40 0 EDABLO C[C@]1(c2nccc(C[NH+]3CCN(c4ncccn4)CC3)n2)CCCO1 ZINC000257218725 244177833 /nfs/dbraw/zinc/17/78/33/244177833.db2.gz DEFVWCZWQACPAA-GOSISDBHSA-N 1 2 340.431 1.614 40 0 EDABLO COc1ncc(C[NH+]2CC3(C2)CO[C@@H](Cc2cncnc2)C3)cn1 ZINC000257237856 244235567 /nfs/dbraw/zinc/23/55/67/244235567.db2.gz HIMXEDDBGQQUBZ-HNNXBMFYSA-N 1 2 327.388 1.109 40 0 EDABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](C(=O)N2CCCCC2)C1 ZINC000019747383 212061079 /nfs/dbraw/zinc/06/10/79/212061079.db2.gz QFFXZSBMDKOCLE-MRXNPFEDSA-N 1 2 332.448 1.361 40 0 EDABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](C(=O)N2CCCCC2)C1 ZINC000019747383 212061081 /nfs/dbraw/zinc/06/10/81/212061081.db2.gz QFFXZSBMDKOCLE-MRXNPFEDSA-N 1 2 332.448 1.361 40 0 EDABLO Cn1cccc1C[N@@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000057731352 132201491 /nfs/dbraw/zinc/20/14/91/132201491.db2.gz WZUFRKPBWUZXKY-UHFFFAOYSA-N 1 2 327.432 1.657 40 0 EDABLO Cn1cccc1C[N@H+]1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1 ZINC000057731352 132201493 /nfs/dbraw/zinc/20/14/93/132201493.db2.gz WZUFRKPBWUZXKY-UHFFFAOYSA-N 1 2 327.432 1.657 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc3c(c2)OCCO3)[nH+]1 ZINC000257247338 301025223 /nfs/dbraw/zinc/02/52/23/301025223.db2.gz IYNQCRQWKGFFFT-CYBMUJFWSA-N 1 2 329.356 1.703 40 0 EDABLO C[C@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)[NH+]1CCOCC1 ZINC000019078405 441254226 /nfs/dbraw/zinc/25/42/26/441254226.db2.gz VNSFDOHQQXRYGE-GDBMZVCRSA-N 1 2 342.443 1.990 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000107264674 441405607 /nfs/dbraw/zinc/40/56/07/441405607.db2.gz HPLVNYBENROBEM-BFYDXBDKSA-N 1 2 342.399 1.914 40 0 EDABLO Cc1noc(C)c1C[N@H+]1C[C@H]2C[C@@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000107264674 441405610 /nfs/dbraw/zinc/40/56/10/441405610.db2.gz HPLVNYBENROBEM-BFYDXBDKSA-N 1 2 342.399 1.914 40 0 EDABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096051392 441999678 /nfs/dbraw/zinc/99/96/78/441999678.db2.gz DHRTYEISIZZWMB-QGZVFWFLSA-N 1 2 332.356 1.507 40 0 EDABLO O=C1CO[C@]2(CN1c1ccoc1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096051392 441999684 /nfs/dbraw/zinc/99/96/84/441999684.db2.gz DHRTYEISIZZWMB-QGZVFWFLSA-N 1 2 332.356 1.507 40 0 EDABLO CCN1C[C@@]2(CC1=O)CN(C(C)=O)CC[N@H+](Cc1nccs1)C2 ZINC000096036135 441983839 /nfs/dbraw/zinc/98/38/39/441983839.db2.gz ZHTNXPMLDPRBMP-INIZCTEOSA-N 1 2 336.461 1.046 40 0 EDABLO CCN1C[C@@]2(CC1=O)CN(C(C)=O)CC[N@@H+](Cc1nccs1)C2 ZINC000096036135 441983841 /nfs/dbraw/zinc/98/38/41/441983841.db2.gz ZHTNXPMLDPRBMP-INIZCTEOSA-N 1 2 336.461 1.046 40 0 EDABLO Cc1ncsc1C[N@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC000096041575 441988764 /nfs/dbraw/zinc/98/87/64/441988764.db2.gz XNZPRZWKYCDLOD-WOSRLPQWSA-N 1 2 339.461 1.288 40 0 EDABLO Cc1ncsc1C[N@@H+]1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21 ZINC000096041575 441988769 /nfs/dbraw/zinc/98/87/69/441988769.db2.gz XNZPRZWKYCDLOD-WOSRLPQWSA-N 1 2 339.461 1.288 40 0 EDABLO CCS(=O)(=O)N1CCOC[C@]2(CC[N@H+](Cc3nccs3)C2)C1 ZINC000096202227 442077955 /nfs/dbraw/zinc/07/79/55/442077955.db2.gz IWZQJXMHCFCDOB-AWEZNQCLSA-N 1 2 345.490 1.017 40 0 EDABLO CCS(=O)(=O)N1CCOC[C@]2(CC[N@@H+](Cc3nccs3)C2)C1 ZINC000096202227 442077962 /nfs/dbraw/zinc/07/79/62/442077962.db2.gz IWZQJXMHCFCDOB-AWEZNQCLSA-N 1 2 345.490 1.017 40 0 EDABLO CNC(=O)c1cc(C[C@H]2CCCN(c3cccc[nH+]3)C2)nc(C)n1 ZINC000257293370 443134337 /nfs/dbraw/zinc/13/43/37/443134337.db2.gz QPEOZFNKDGFFTK-CQSZACIVSA-N 1 2 325.416 1.999 40 0 EDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@H]1c1cc[nH]n1 ZINC000257302521 443138945 /nfs/dbraw/zinc/13/89/45/443138945.db2.gz SDEZNYOQUILGPX-MRXNPFEDSA-N 1 2 325.372 1.668 40 0 EDABLO CNC(=O)[C@]1(C)C[N@H+](Cc2ccccc2Br)CCO1 ZINC000257330600 443149948 /nfs/dbraw/zinc/14/99/48/443149948.db2.gz XPAYKWYAKVSHHN-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO CNC(=O)[C@]1(C)C[N@@H+](Cc2ccccc2Br)CCO1 ZINC000257330600 443149950 /nfs/dbraw/zinc/14/99/50/443149950.db2.gz XPAYKWYAKVSHHN-AWEZNQCLSA-N 1 2 327.222 1.786 40 0 EDABLO CNc1cccc(CC[C@@H]2CCCCN2S(=O)(=O)N(C)C)[nH+]1 ZINC000257334905 443152084 /nfs/dbraw/zinc/15/20/84/443152084.db2.gz YHVJRGKMXRWJAJ-AWEZNQCLSA-N 1 2 326.466 1.717 40 0 EDABLO CN(C)C(=O)[C@]1(CCCc2ccccn2)CCN1Cc1[nH+]ccn1C ZINC000257340641 443155082 /nfs/dbraw/zinc/15/50/82/443155082.db2.gz ZGZYVOSDEYZFIY-IBGZPJMESA-N 1 2 341.459 1.871 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@@H+]1C(C)C ZINC000257341774 443155969 /nfs/dbraw/zinc/15/59/69/443155969.db2.gz ZLXPSOLVHAGCDZ-INIZCTEOSA-N 1 2 332.448 1.033 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CC[N@H+]1C(C)C ZINC000257341774 443155973 /nfs/dbraw/zinc/15/59/73/443155973.db2.gz ZLXPSOLVHAGCDZ-INIZCTEOSA-N 1 2 332.448 1.033 40 0 EDABLO Cn1ncc2c1nc(N1CCO[C@@H](c3ccc(F)cc3F)C1)[nH+]c2N ZINC000302877373 444229234 /nfs/dbraw/zinc/22/92/34/444229234.db2.gz GMTPGVBFUAFJPC-CYBMUJFWSA-N 1 2 346.341 1.802 40 0 EDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](C(=O)NCC3CC3)C2)n(C)n1 ZINC000306135870 444286833 /nfs/dbraw/zinc/28/68/33/444286833.db2.gz PDIRSUZOEIFKSC-MRXNPFEDSA-N 1 2 328.420 1.008 40 0 EDABLO C[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329068695 444464037 /nfs/dbraw/zinc/46/40/37/444464037.db2.gz YSBSUNHUZLQDPL-ZDUSSCGKSA-N 1 2 336.399 1.182 40 0 EDABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585111851 448692122 /nfs/dbraw/zinc/69/21/22/448692122.db2.gz CVNAXHCYEPPHLI-KRWDZBQOSA-N 1 2 348.472 1.688 40 0 EDABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNS(C)(=O)=O)C1 ZINC000585111851 448692126 /nfs/dbraw/zinc/69/21/26/448692126.db2.gz CVNAXHCYEPPHLI-KRWDZBQOSA-N 1 2 348.472 1.688 40 0 EDABLO COCC(=O)N1CCn2c(CCOc3ccccn3)c[nH+]c2[C@@H]1C ZINC000585097066 448681058 /nfs/dbraw/zinc/68/10/58/448681058.db2.gz FHZVWOMAYSGQHF-ZDUSSCGKSA-N 1 2 330.388 1.449 40 0 EDABLO CO[C@H]1CCC[N@H+](CC(=O)Nc2nonc2C)[C@H]1Cc1ccccc1 ZINC000585277473 448724610 /nfs/dbraw/zinc/72/46/10/448724610.db2.gz VLDGKCIYBPYSGU-HOTGVXAUSA-N 1 2 344.415 2.039 40 0 EDABLO CO[C@H]1CCC[N@@H+](CC(=O)Nc2nonc2C)[C@H]1Cc1ccccc1 ZINC000585277473 448724614 /nfs/dbraw/zinc/72/46/14/448724614.db2.gz VLDGKCIYBPYSGU-HOTGVXAUSA-N 1 2 344.415 2.039 40 0 EDABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1 ZINC000072379186 216180412 /nfs/dbraw/zinc/18/04/12/216180412.db2.gz BOZFSEWVCDOYKV-AWEZNQCLSA-N 1 2 349.460 1.773 40 0 EDABLO Cc1nc(N2CCO[C@H](c3ccc(CCC(N)=O)cn3)C2)cc[nH+]1 ZINC000072378808 216181375 /nfs/dbraw/zinc/18/13/75/216181375.db2.gz BSRQMXHCYFWFTJ-HNNXBMFYSA-N 1 2 327.388 1.176 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383073 216183593 /nfs/dbraw/zinc/18/35/93/216183593.db2.gz PVMUIGCLPQLWSY-CYBMUJFWSA-N 1 2 327.392 1.249 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383073 216183594 /nfs/dbraw/zinc/18/35/94/216183594.db2.gz PVMUIGCLPQLWSY-CYBMUJFWSA-N 1 2 327.392 1.249 40 0 EDABLO CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@H]3CCC[N@H+]3C)n2)CC1 ZINC000072387222 216186317 /nfs/dbraw/zinc/18/63/17/216186317.db2.gz HVUJVJLFLKIGSM-MRXNPFEDSA-N 1 2 345.447 1.246 40 0 EDABLO CC(=O)N1CCCN(C(=O)c2cc(C)nc([C@H]3CCC[N@@H+]3C)n2)CC1 ZINC000072387222 216186319 /nfs/dbraw/zinc/18/63/19/216186319.db2.gz HVUJVJLFLKIGSM-MRXNPFEDSA-N 1 2 345.447 1.246 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000257218170 244173901 /nfs/dbraw/zinc/17/39/01/244173901.db2.gz DCDGLGNMRAEOTL-GFCCVEGCSA-N 1 2 333.392 1.757 40 0 EDABLO Cc1ncncc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257227740 244207922 /nfs/dbraw/zinc/20/79/22/244207922.db2.gz FQRJDVIJVOAVQE-GOSISDBHSA-N 1 2 341.415 1.284 40 0 EDABLO CC(C)n1cc[nH+]c1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257237191 244233114 /nfs/dbraw/zinc/23/31/14/244233114.db2.gz HFNJKKMKKUVZEX-HNNXBMFYSA-N 1 2 331.420 1.793 40 0 EDABLO Cc1nc(Nc2cc(C)nc([C@@H]3CC[N@H+](CC(N)=O)C3)n2)sc1C ZINC000257240881 244241120 /nfs/dbraw/zinc/24/11/20/244241120.db2.gz HVOBADVWRVCGPZ-GFCCVEGCSA-N 1 2 346.460 1.877 40 0 EDABLO Cc1nc(Nc2cc(C)nc([C@@H]3CC[N@@H+](CC(N)=O)C3)n2)sc1C ZINC000257240881 244241128 /nfs/dbraw/zinc/24/11/28/244241128.db2.gz HVOBADVWRVCGPZ-GFCCVEGCSA-N 1 2 346.460 1.877 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257261105 244347452 /nfs/dbraw/zinc/34/74/52/244347452.db2.gz LFTCRIYAOGEJRD-UHFFFAOYSA-N 1 2 340.431 1.947 40 0 EDABLO CC(C)CN1C[C@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000019447131 212028112 /nfs/dbraw/zinc/02/81/12/212028112.db2.gz LQIYXGOUIWNBCZ-MRXNPFEDSA-N 1 2 340.427 1.993 40 0 EDABLO C[C@@H](CO)Nc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329007584 257906267 /nfs/dbraw/zinc/90/62/67/257906267.db2.gz LLHGHMAXJFELSA-LBPRGKRZSA-N 1 2 341.440 1.849 40 0 EDABLO Cc1ccccc1CNc1cc(-c2cccnc2)[nH+]c(NCCO)n1 ZINC000328957687 257910510 /nfs/dbraw/zinc/91/05/10/257910510.db2.gz AKYPHEWWOQNPPB-UHFFFAOYSA-N 1 2 335.411 1.707 40 0 EDABLO Cc1nn(C)cc1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000012122373 441127078 /nfs/dbraw/zinc/12/70/78/441127078.db2.gz VWKKVLCUMIORFP-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO Cc1nn(C)cc1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000012122373 441127081 /nfs/dbraw/zinc/12/70/81/441127081.db2.gz VWKKVLCUMIORFP-UHFFFAOYSA-N 1 2 336.399 1.844 40 0 EDABLO COc1ccc2cc(C(=O)NCC[NH+]3CCOCC3)c(C)nc2c1 ZINC000105623283 441261849 /nfs/dbraw/zinc/26/18/49/441261849.db2.gz RECWRDIKWSRQOE-UHFFFAOYSA-N 1 2 329.400 1.614 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060694 442008029 /nfs/dbraw/zinc/00/80/29/442008029.db2.gz DCVMFSJOJUEFPO-GFCCVEGCSA-N 1 2 349.460 1.081 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2cccs2)Cc2nnn(C)c21 ZINC000096060694 442008032 /nfs/dbraw/zinc/00/80/32/442008032.db2.gz DCVMFSJOJUEFPO-GFCCVEGCSA-N 1 2 349.460 1.081 40 0 EDABLO O=c1cccnn1C[C@H]1Cn2cc[nH+]c2CN(Cc2ccoc2)C1 ZINC000096067153 442015392 /nfs/dbraw/zinc/01/53/92/442015392.db2.gz VREUNMWEVGSINI-OAHLLOKOSA-N 1 2 325.372 1.365 40 0 EDABLO O=C(c1ccsc1)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096196996 442070211 /nfs/dbraw/zinc/07/02/11/442070211.db2.gz WDCNQQDNZDJWRG-UHFFFAOYSA-N 1 2 328.401 1.283 40 0 EDABLO Cc1nc(CN2CCn3c(Cn4cncn4)c[nH+]c3[C@@H]2C)cs1 ZINC000096201274 442076862 /nfs/dbraw/zinc/07/68/62/442076862.db2.gz IUSHVEGIYNUFHR-NSHDSACASA-N 1 2 329.433 1.865 40 0 EDABLO COC[C@@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2ccccc2C)C1 ZINC000096207998 442083761 /nfs/dbraw/zinc/08/37/61/442083761.db2.gz RPUCSDAMWWTUQZ-CQSZACIVSA-N 1 2 335.429 1.659 40 0 EDABLO Cc1ccnc(OC[C@@H]2Cn3c[nH+]cc3CN(C(=O)CC3CC3)C2)n1 ZINC000096216540 442087115 /nfs/dbraw/zinc/08/71/15/442087115.db2.gz BPOMMSFXODMTCW-HNNXBMFYSA-N 1 2 341.415 1.819 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1ccncc1)C2 ZINC000096254042 442104753 /nfs/dbraw/zinc/10/47/53/442104753.db2.gz ARUUQNHNLLHFSQ-UHFFFAOYSA-N 1 2 340.431 1.956 40 0 EDABLO Cn1c[nH+]cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000177231890 442317312 /nfs/dbraw/zinc/31/73/12/442317312.db2.gz ZIKULXNJJZBXEY-UHFFFAOYSA-N 1 2 334.445 1.068 40 0 EDABLO CN(C)C(=O)c1cccc([C@@H]2CN(c3ncccn3)CC[N@@H+]2C)c1 ZINC000247950674 442874510 /nfs/dbraw/zinc/87/45/10/442874510.db2.gz BWSZSFVTDKNLKQ-INIZCTEOSA-N 1 2 325.416 1.672 40 0 EDABLO CN(C)C(=O)c1cccc([C@@H]2CN(c3ncccn3)CC[N@H+]2C)c1 ZINC000247950674 442874514 /nfs/dbraw/zinc/87/45/14/442874514.db2.gz BWSZSFVTDKNLKQ-INIZCTEOSA-N 1 2 325.416 1.672 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC000257227659 443124416 /nfs/dbraw/zinc/12/44/16/443124416.db2.gz FQHRPGISOVWOSP-ZDUSSCGKSA-N 1 2 335.429 1.682 40 0 EDABLO CNC(=O)c1cc(C[C@@H]2CCCN(c3cc(C)[nH+]cn3)CC2)ncn1 ZINC000257284120 443130161 /nfs/dbraw/zinc/13/01/61/443130161.db2.gz PBHPUPNXVWBPQD-CQSZACIVSA-N 1 2 340.431 1.784 40 0 EDABLO CCS(=O)(=O)N1CCC[C@@H]1c1cccc(C[NH+]2CCOCC2)n1 ZINC000257284744 443130170 /nfs/dbraw/zinc/13/01/70/443130170.db2.gz PECMKRNIASHNQM-MRXNPFEDSA-N 1 2 339.461 1.400 40 0 EDABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585094920 448676888 /nfs/dbraw/zinc/67/68/88/448676888.db2.gz UMGUHMCTVBHICP-ZDUSSCGKSA-N 1 2 343.383 1.752 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2[C@H](C(=O)N2CCCO2)C1 ZINC000585095998 448678892 /nfs/dbraw/zinc/67/88/92/448678892.db2.gz JZJJGCGMLXRWGZ-ZDUSSCGKSA-N 1 2 330.344 1.146 40 0 EDABLO CCCCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000585096140 448680134 /nfs/dbraw/zinc/68/01/34/448680134.db2.gz UKFDVCLQAYTWHL-HNNXBMFYSA-N 1 2 330.388 1.866 40 0 EDABLO Cc1cccnc1C[N@@H+]1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 ZINC000585096911 448681765 /nfs/dbraw/zinc/68/17/65/448681765.db2.gz FMQRITKPZUWOND-INIZCTEOSA-N 1 2 339.443 1.887 40 0 EDABLO Cc1cccnc1C[N@H+]1Cc2ccnn2CC[C@H]1CNC(=O)C1CC1 ZINC000585096911 448681770 /nfs/dbraw/zinc/68/17/70/448681770.db2.gz FMQRITKPZUWOND-INIZCTEOSA-N 1 2 339.443 1.887 40 0 EDABLO Cc1ncccc1O[C@H]1CCN(C(=O)C=Cc2c[nH]c[nH+]2)CC[C@@H]1O ZINC000585292218 448735969 /nfs/dbraw/zinc/73/59/69/448735969.db2.gz ZALPDQTTWBKQMP-SBXOADHZSA-N 1 2 342.399 1.557 40 0 EDABLO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCC[NH+]1CCOCC1 ZINC000216260853 536048483 /nfs/dbraw/zinc/04/84/83/536048483.db2.gz ZHSKWLKRDLCDJA-HNNXBMFYSA-N 1 2 326.824 1.946 40 0 EDABLO CS(=O)(=O)N1CCC[C@H](Cc2c[nH+]cc(NCCO)c2)CC1 ZINC000072366273 216172098 /nfs/dbraw/zinc/17/20/98/216172098.db2.gz FHKFHHPBEZZJJK-ZDUSSCGKSA-N 1 2 327.450 1.090 40 0 EDABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072361839 216168312 /nfs/dbraw/zinc/16/83/12/216168312.db2.gz WEBIEZHGJHWEAD-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072361839 216168315 /nfs/dbraw/zinc/16/83/15/216168315.db2.gz WEBIEZHGJHWEAD-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO COCCNc1cc([C@@H]2CN(Cc3c[nH+]c[nH]3)CCO2)nc(C)n1 ZINC000072387725 216187048 /nfs/dbraw/zinc/18/70/48/216187048.db2.gz WDHRRUZWTJLHOX-HNNXBMFYSA-N 1 2 332.408 1.140 40 0 EDABLO COCCNc1cc([C@@H]2CN(Cc3c[nH]c[nH+]3)CCO2)nc(C)n1 ZINC000072387725 216187050 /nfs/dbraw/zinc/18/70/50/216187050.db2.gz WDHRRUZWTJLHOX-HNNXBMFYSA-N 1 2 332.408 1.140 40 0 EDABLO Cn1ccc(C[N@@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 ZINC000257203955 244128373 /nfs/dbraw/zinc/12/83/73/244128373.db2.gz ASJDDFZIAMVNJQ-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cn1ccc(C[N@H+]2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)n1 ZINC000257203955 244128380 /nfs/dbraw/zinc/12/83/80/244128380.db2.gz ASJDDFZIAMVNJQ-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cc1c[nH]c([C@@H]2CN(C(=O)Cc3c(C)[nH+]c4ccccn43)CCO2)n1 ZINC000257218823 244178568 /nfs/dbraw/zinc/17/85/68/244178568.db2.gz DENOAMXVSFDHDP-HNNXBMFYSA-N 1 2 339.399 1.817 40 0 EDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257245446 244254933 /nfs/dbraw/zinc/25/49/33/244254933.db2.gz IPOFOLPERHCXID-YOEHRIQHSA-N 1 2 328.372 1.023 40 0 EDABLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC000257237708 244231196 /nfs/dbraw/zinc/23/11/96/244231196.db2.gz HHTOCABHDITWRH-UHFFFAOYSA-N 1 2 329.404 1.108 40 0 EDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1 ZINC000257265993 244361686 /nfs/dbraw/zinc/36/16/86/244361686.db2.gz MBEBGUNSVQQGCI-YJBOKZPZSA-N 1 2 329.400 1.328 40 0 EDABLO COc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1F ZINC000257274213 244389396 /nfs/dbraw/zinc/38/93/96/244389396.db2.gz NJZPSSSMHIFWPU-HUUCEWRRSA-N 1 2 345.374 1.204 40 0 EDABLO COc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c1F ZINC000257274213 244389398 /nfs/dbraw/zinc/38/93/98/244389398.db2.gz NJZPSSSMHIFWPU-HUUCEWRRSA-N 1 2 345.374 1.204 40 0 EDABLO CN(C)c1cc([C@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cc[nH+]1 ZINC000257337713 244565196 /nfs/dbraw/zinc/56/51/96/244565196.db2.gz YUBVDOAXMNNCSB-ZDUSSCGKSA-N 1 2 335.433 1.439 40 0 EDABLO C[C@H](CNC(=O)c1ccc(Oc2ncccn2)cc1)[NH+]1CCOCC1 ZINC000019456512 212030130 /nfs/dbraw/zinc/03/01/30/212030130.db2.gz WBYMRXXETWXWAG-CQSZACIVSA-N 1 2 342.399 1.719 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)C[C@H](CCOc2ncccn2)CCO3)cn1 ZINC000306143650 257925122 /nfs/dbraw/zinc/92/51/22/257925122.db2.gz YHWYAZKGQBSGAU-OAHLLOKOSA-N 1 2 343.431 1.660 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2ccccc2F)C1 ZINC000096207183 285469712 /nfs/dbraw/zinc/46/97/12/285469712.db2.gz XZJDSSKPXOYQBX-LBPRGKRZSA-N 1 2 339.392 1.489 40 0 EDABLO CCN1C[NH+]=C2N[C@@H](c3cccnc3)n3c4ccccc4nc3N2C1 ZINC000020638610 276238191 /nfs/dbraw/zinc/23/81/91/276238191.db2.gz HNTTYLZZILYORR-MRXNPFEDSA-N 1 2 333.399 1.994 40 0 EDABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(C)no3)[N@H+](C)C2)c1 ZINC000012530036 441134034 /nfs/dbraw/zinc/13/40/34/441134034.db2.gz BSHDKXQYEYDFJN-JSGCOSHPSA-N 1 2 331.376 1.954 40 0 biogenic,in-vitro EDABLO COc1cccc(NC(=O)N[C@H]2C[C@@H](c3nc(C)no3)[N@@H+](C)C2)c1 ZINC000012530036 441134037 /nfs/dbraw/zinc/13/40/37/441134037.db2.gz BSHDKXQYEYDFJN-JSGCOSHPSA-N 1 2 331.376 1.954 40 0 biogenic,in-vitro EDABLO Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 ZINC000014406001 441184639 /nfs/dbraw/zinc/18/46/39/441184639.db2.gz CBGUEZYIXHFZCE-OAHLLOKOSA-N 1 2 341.346 1.172 40 0 EDABLO Cc1cc(C(=O)N2CCn3cc(CNc4cccc[nH+]4)nc3C2)no1 ZINC000096068059 442015998 /nfs/dbraw/zinc/01/59/98/442015998.db2.gz LDLLONADQLUWRE-UHFFFAOYSA-N 1 2 338.371 1.843 40 0 EDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cccs2)C1 ZINC000096187798 442064108 /nfs/dbraw/zinc/06/41/08/442064108.db2.gz CFRYYKPCNZZCJN-GFCCVEGCSA-N 1 2 341.458 1.802 40 0 EDABLO Cn1ccnc1C[NH+]1CCC2(CC1)NC(=O)C[C@H]2c1ccncc1 ZINC000096199901 442073740 /nfs/dbraw/zinc/07/37/40/442073740.db2.gz VRYSHNFDLJBEGJ-HNNXBMFYSA-N 1 2 325.416 1.453 40 0 EDABLO Cn1cc([C@H]2CC(=O)NC23CC[NH+](Cc2nccs2)CC3)cn1 ZINC000096199764 442073866 /nfs/dbraw/zinc/07/38/66/442073866.db2.gz MSKADRUPZPAQGU-CYBMUJFWSA-N 1 2 331.445 1.515 40 0 EDABLO Cc1cccc(CN2CCCn3c(C[NH+]4CCCC4)nnc3C2)n1 ZINC000096259715 442106825 /nfs/dbraw/zinc/10/68/25/442106825.db2.gz LZCZYGINDAHHAL-UHFFFAOYSA-N 1 2 326.448 1.983 40 0 EDABLO O=C(C1CCOCC1)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000247884142 442871051 /nfs/dbraw/zinc/87/10/51/442871051.db2.gz WMQGPFSCRATGTD-MRXNPFEDSA-N 1 2 342.399 1.667 40 0 EDABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC(=O)N(C)C)CCO2 ZINC000247987885 442876098 /nfs/dbraw/zinc/87/60/98/442876098.db2.gz KWORTLICLGUPBN-MRXNPFEDSA-N 1 2 348.443 1.533 40 0 EDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](COCC(=O)N(C)C)C1 ZINC000248001818 442876769 /nfs/dbraw/zinc/87/67/69/442876769.db2.gz NVZXLBDVKSFFOF-AWEZNQCLSA-N 1 2 349.460 1.310 40 0 EDABLO COCC(=O)NC[C@H]1CN(Cc2ccccc2OC)Cc2c[nH+]cn21 ZINC000248120195 442883031 /nfs/dbraw/zinc/88/30/31/442883031.db2.gz DJFBVBWXQHDJMI-INIZCTEOSA-N 1 2 344.415 1.211 40 0 EDABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccs3)C2)nc[nH+]1 ZINC000257291669 443133829 /nfs/dbraw/zinc/13/38/29/443133829.db2.gz QICHXRYTWZLNAH-INIZCTEOSA-N 1 2 347.444 1.293 40 0 EDABLO CNc1cc(N2CC[C@](O)(CN(C)C(=O)c3cccs3)C2)[nH+]cn1 ZINC000257291669 443133831 /nfs/dbraw/zinc/13/38/31/443133831.db2.gz QICHXRYTWZLNAH-INIZCTEOSA-N 1 2 347.444 1.293 40 0 EDABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)CNC(C)=O ZINC000257298360 443137031 /nfs/dbraw/zinc/13/70/31/443137031.db2.gz RLIZTQYAZQPXPL-CQSZACIVSA-N 1 2 328.372 1.111 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CC[C@H](O)[C@@H](Oc2cccnc2)CC1 ZINC000257280608 443128382 /nfs/dbraw/zinc/12/83/82/443128382.db2.gz OLOFNNNMYYXBRA-IRXDYDNUSA-N 1 2 344.415 1.489 40 0 EDABLO Cn1nccc1C(=O)N1CC[C@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306127369 444285863 /nfs/dbraw/zinc/28/58/63/444285863.db2.gz FWVFXIAOSDHEEF-IBGZPJMESA-N 1 2 348.410 1.767 40 0 EDABLO CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000575420109 447857584 /nfs/dbraw/zinc/85/75/84/447857584.db2.gz FVSCTVJOIBIKNU-QWHCGFSZSA-N 1 2 346.836 1.341 40 0 EDABLO COCCN1CC[C@]2(C[N@H+](Cc3ccncc3)CC(F)(F)C2)C1=O ZINC000585093113 448674036 /nfs/dbraw/zinc/67/40/36/448674036.db2.gz CPWZZXUFAKOCIH-INIZCTEOSA-N 1 2 339.386 1.788 40 0 EDABLO COCCN1CC[C@]2(C[N@@H+](Cc3ccncc3)CC(F)(F)C2)C1=O ZINC000585093113 448674045 /nfs/dbraw/zinc/67/40/45/448674045.db2.gz CPWZZXUFAKOCIH-INIZCTEOSA-N 1 2 339.386 1.788 40 0 EDABLO O=C(NCc1ccco1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096124 448680290 /nfs/dbraw/zinc/68/02/90/448680290.db2.gz SPDXMLASPLZUAO-HNNXBMFYSA-N 1 2 328.372 1.476 40 0 EDABLO Cc1c(C[N@@H+]2CCn3c(COCC4CC4)nnc3[C@@H]2C)cnn1C ZINC000585098325 448683727 /nfs/dbraw/zinc/68/37/27/448683727.db2.gz WFWMAXDZTFKXSH-ZDUSSCGKSA-N 1 2 330.436 1.823 40 0 EDABLO Cc1c(C[N@H+]2CCn3c(COCC4CC4)nnc3[C@@H]2C)cnn1C ZINC000585098325 448683732 /nfs/dbraw/zinc/68/37/32/448683732.db2.gz WFWMAXDZTFKXSH-ZDUSSCGKSA-N 1 2 330.436 1.823 40 0 EDABLO CCn1ncc(S(=O)(=O)N2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000257256145 535828134 /nfs/dbraw/zinc/82/81/34/535828134.db2.gz KKGIEFTWRBPOPO-MRXNPFEDSA-N 1 2 348.472 1.889 40 0 EDABLO CCn1ncc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1C ZINC000257256145 535828140 /nfs/dbraw/zinc/82/81/40/535828140.db2.gz KKGIEFTWRBPOPO-MRXNPFEDSA-N 1 2 348.472 1.889 40 0 EDABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cnc[nH]c3=O)C2)cc[nH+]1 ZINC000257254419 536145150 /nfs/dbraw/zinc/14/51/50/536145150.db2.gz KCYRXVTYFOXBNX-ZDUSSCGKSA-N 1 2 327.388 1.663 40 0 EDABLO Cc1cccc(Nc2cncc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000072360944 216167141 /nfs/dbraw/zinc/16/71/41/216167141.db2.gz HWLOLMHCZXBIMI-CYBMUJFWSA-N 1 2 326.404 1.588 40 0 EDABLO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000072360944 216167145 /nfs/dbraw/zinc/16/71/45/216167145.db2.gz HWLOLMHCZXBIMI-CYBMUJFWSA-N 1 2 326.404 1.588 40 0 EDABLO COc1ccccc1Oc1nccnc1C1CC[NH+](CC(N)=O)CC1 ZINC000072361820 216168850 /nfs/dbraw/zinc/16/88/50/216168850.db2.gz PZZBTQUOUNJUJJ-UHFFFAOYSA-N 1 2 342.399 1.942 40 0 EDABLO O=C(NCC[NH+]1CCOCC1)c1cc2cccc(Cl)c2oc1=O ZINC000226040900 242086798 /nfs/dbraw/zinc/08/67/98/242086798.db2.gz RDOHVXQZTRNAJU-UHFFFAOYSA-N 1 2 336.775 1.508 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN2Cc2c[nH+]cn2C)n1 ZINC000257207689 244138914 /nfs/dbraw/zinc/13/89/14/244138914.db2.gz BITYPSHFDKICTP-GOSISDBHSA-N 1 2 342.447 1.732 40 0 EDABLO Cc1n[nH]c(C)c1CCC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257234061 244221854 /nfs/dbraw/zinc/22/18/54/244221854.db2.gz GRXJKUXORBSWDN-GOSISDBHSA-N 1 2 343.431 1.112 40 0 EDABLO Cc1cc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)[nH]c(=O)n1 ZINC000257251348 244269882 /nfs/dbraw/zinc/26/98/82/244269882.db2.gz JQJOWEZVSRJMSH-AWEZNQCLSA-N 1 2 341.415 1.971 40 0 EDABLO CC(=O)N1CCC(Cc2cnc(C[NH+]3CCSCC3)cn2)CC1 ZINC000257271942 244379407 /nfs/dbraw/zinc/37/94/07/244379407.db2.gz NAKRRLUFSANXMT-UHFFFAOYSA-N 1 2 334.489 1.826 40 0 EDABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1[C@@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000019576338 212045756 /nfs/dbraw/zinc/04/57/56/212045756.db2.gz PYFQETZYGCXPEP-PMUMKWKESA-N 1 2 338.367 1.124 40 0 EDABLO Cc1c(C(=O)NCCn2cc[nH+]c2)nnn1-c1ccc(Cl)cc1 ZINC000019557711 212042925 /nfs/dbraw/zinc/04/29/25/212042925.db2.gz KAJYQUYRCHKTLS-UHFFFAOYSA-N 1 2 330.779 1.856 40 0 EDABLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(F)c2)C1)[NH+]1CCOCC1 ZINC000019456443 212030289 /nfs/dbraw/zinc/03/02/89/212030289.db2.gz DTLSBQQPTNBJRF-ZIAGYGMSSA-N 1 2 349.406 1.016 40 0 EDABLO COc1cc2[nH]c(C(=O)NC[C@H](C)[NH+]3CCOCC3)cc2c(OC)c1 ZINC000019456483 212030088 /nfs/dbraw/zinc/03/00/88/212030088.db2.gz BIXQQLHQQGFQKF-LBPRGKRZSA-N 1 2 347.415 1.636 40 0 EDABLO CCN1C(=O)[C@H]2[C@H](c3ccccc3C)[NH2+][C@@](C)(C(=O)OC)[C@@H]2C1=O ZINC000095252486 276357802 /nfs/dbraw/zinc/35/78/02/276357802.db2.gz SEKYBLVOEUSLDW-KHSSZTOVSA-N 1 2 330.384 1.192 40 0 EDABLO COc1ccc(S(=O)(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000068933009 441871868 /nfs/dbraw/zinc/87/18/68/441871868.db2.gz PERLSVUBRRILTQ-UHFFFAOYSA-N 1 2 328.434 1.004 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 ZINC000096043022 441991603 /nfs/dbraw/zinc/99/16/03/441991603.db2.gz DWBQJTYSIFWFLA-RRQGHBQHSA-N 1 2 345.399 1.872 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)NCc4ccco4)O[C@@H]3C2)no1 ZINC000096043022 441991607 /nfs/dbraw/zinc/99/16/07/441991607.db2.gz DWBQJTYSIFWFLA-RRQGHBQHSA-N 1 2 345.399 1.872 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096042199 441989916 /nfs/dbraw/zinc/98/99/16/441989916.db2.gz CAUUJRCZOSDWHS-OKZBNKHCSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096042199 441989921 /nfs/dbraw/zinc/98/99/21/441989921.db2.gz CAUUJRCZOSDWHS-OKZBNKHCSA-N 1 2 328.416 1.764 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccccn2)C1 ZINC000096066836 442014356 /nfs/dbraw/zinc/01/43/56/442014356.db2.gz SKMPHPPQTYLUKA-HNNXBMFYSA-N 1 2 343.431 1.015 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2ccnc2C[N@@H+](Cc2ccccn2)C1 ZINC000096066836 442014361 /nfs/dbraw/zinc/01/43/61/442014361.db2.gz SKMPHPPQTYLUKA-HNNXBMFYSA-N 1 2 343.431 1.015 40 0 EDABLO CN(C)C(=O)COC[C@@H]1Cn2cc[nH+]c2CN(Cc2ccccn2)C1 ZINC000096066836 442014365 /nfs/dbraw/zinc/01/43/65/442014365.db2.gz SKMPHPPQTYLUKA-HNNXBMFYSA-N 1 2 343.431 1.015 40 0 EDABLO Cn1cc[nH+]c1CN1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112128 442036075 /nfs/dbraw/zinc/03/60/75/442036075.db2.gz CFSGYDFMOWILBC-RISCZKNCSA-N 1 2 330.367 1.431 40 0 biogenic,in-vitro EDABLO Cc1noc(C)c1C[N@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225513 442094154 /nfs/dbraw/zinc/09/41/54/442094154.db2.gz HWQGMAAUAPBBRD-QGZVFWFLSA-N 1 2 334.420 1.879 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1CC[C@@]2(CC(C(=O)N(C)C(C)C)=NO2)C1 ZINC000096225513 442094157 /nfs/dbraw/zinc/09/41/57/442094157.db2.gz HWQGMAAUAPBBRD-QGZVFWFLSA-N 1 2 334.420 1.879 40 0 EDABLO Cn1cccc1C(=O)NCc1cnc2n1CCN(c1cccc[nH+]1)C2 ZINC000096201190 442074855 /nfs/dbraw/zinc/07/48/55/442074855.db2.gz OCRQHVUFJPFGPL-UHFFFAOYSA-N 1 2 336.399 1.567 40 0 EDABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)c1 ZINC000096253199 442104583 /nfs/dbraw/zinc/10/45/83/442104583.db2.gz NKMXNORKHBRYNT-FGTMMUONSA-N 1 2 330.428 1.907 40 0 EDABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)N4CCCC4)[C@@H](C2)O3)c1 ZINC000096253199 442104588 /nfs/dbraw/zinc/10/45/88/442104588.db2.gz NKMXNORKHBRYNT-FGTMMUONSA-N 1 2 330.428 1.907 40 0 EDABLO O=S1(=O)CC[C@H](COCc2ccccn2)C12C[NH+](C1CCC1)C2 ZINC000247307264 442846485 /nfs/dbraw/zinc/84/64/85/442846485.db2.gz HJUXEMRMTNBESG-CQSZACIVSA-N 1 2 336.457 1.640 40 0 EDABLO COCC(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2 ZINC000247806831 442868833 /nfs/dbraw/zinc/86/88/33/442868833.db2.gz AAJBPGVAQZNHMF-OAHLLOKOSA-N 1 2 336.407 1.569 40 0 EDABLO Cc1ccc(C[N@@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257299275 443136658 /nfs/dbraw/zinc/13/66/58/443136658.db2.gz RPKADAWCHZKGFF-CQSZACIVSA-N 1 2 348.472 1.971 40 0 EDABLO Cc1ccc(C[N@H+]2CCC[C@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257299275 443136662 /nfs/dbraw/zinc/13/66/62/443136662.db2.gz RPKADAWCHZKGFF-CQSZACIVSA-N 1 2 348.472 1.971 40 0 EDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257310458 443141536 /nfs/dbraw/zinc/14/15/36/443141536.db2.gz UFDHPRIOXWJERE-INIZCTEOSA-N 1 2 343.383 1.835 40 0 EDABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCO2)n1 ZINC000257310458 443141539 /nfs/dbraw/zinc/14/15/39/443141539.db2.gz UFDHPRIOXWJERE-INIZCTEOSA-N 1 2 343.383 1.835 40 0 EDABLO O=C(CC1(O)CCCCC1)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257312334 443142262 /nfs/dbraw/zinc/14/22/62/443142262.db2.gz UNLJJXDEOUXQAP-GOSISDBHSA-N 1 2 333.432 1.224 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CNC(=O)c3cscn3)C2)nc[nH+]1 ZINC000257314494 443143375 /nfs/dbraw/zinc/14/33/75/443143375.db2.gz UXFYHKIPRCWHAZ-OAHLLOKOSA-N 1 2 333.417 1.003 40 0 EDABLO COc1cc(OC)cc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c1 ZINC000257318930 443145521 /nfs/dbraw/zinc/14/55/21/443145521.db2.gz VPZNBBFKWGNUFR-IRXDYDNUSA-N 1 2 345.399 1.739 40 0 EDABLO CNc1nccnc1[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CCO1 ZINC000257323351 443147185 /nfs/dbraw/zinc/14/71/85/443147185.db2.gz WJUJJOSZIVIGIZ-ZDUSSCGKSA-N 1 2 330.392 1.095 40 0 EDABLO COc1ccc([C@@H]2C[N@H+](Cc3cnn(C)c3)CCN2C(C)=O)cc1 ZINC000257281550 443129560 /nfs/dbraw/zinc/12/95/60/443129560.db2.gz OPSUAGNFJQXOEZ-SFHVURJKSA-N 1 2 328.416 1.834 40 0 EDABLO COc1ccc([C@@H]2C[N@@H+](Cc3cnn(C)c3)CCN2C(C)=O)cc1 ZINC000257281550 443129561 /nfs/dbraw/zinc/12/95/61/443129561.db2.gz OPSUAGNFJQXOEZ-SFHVURJKSA-N 1 2 328.416 1.834 40 0 EDABLO Cc1nc(C[C@H]2CCCN(c3cc[nH+]c(C)n3)C2)cc(C(N)=O)n1 ZINC000257333396 443151826 /nfs/dbraw/zinc/15/18/26/443151826.db2.gz YBJDZBGWWRHEHQ-CYBMUJFWSA-N 1 2 326.404 1.441 40 0 EDABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)C1CCOCC1 ZINC000257344782 443157009 /nfs/dbraw/zinc/15/70/09/443157009.db2.gz ZYQWPVWKTRAVLS-GOSISDBHSA-N 1 2 333.432 1.298 40 0 EDABLO CC(C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc[nH+]1 ZINC000328982487 444433749 /nfs/dbraw/zinc/43/37/49/444433749.db2.gz HAQGBQRNUDHVBD-UHFFFAOYSA-N 1 2 347.444 1.507 40 0 EDABLO CC(C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]cn1 ZINC000328982487 444433754 /nfs/dbraw/zinc/43/37/54/444433754.db2.gz HAQGBQRNUDHVBD-UHFFFAOYSA-N 1 2 347.444 1.507 40 0 EDABLO COCCN1CC[C@@]2(C[N@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093274 448675606 /nfs/dbraw/zinc/67/56/06/448675606.db2.gz NAGSWNCDVBNMPF-CQSZACIVSA-N 1 2 328.363 1.116 40 0 EDABLO COCCN1CC[C@@]2(C[N@@H+](Cc3cn[nH]c3)CC(F)(F)C2)C1=O ZINC000585093274 448675607 /nfs/dbraw/zinc/67/56/07/448675607.db2.gz NAGSWNCDVBNMPF-CQSZACIVSA-N 1 2 328.363 1.116 40 0 EDABLO Cc1cc(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)nc[nH+]1 ZINC000585276076 448720666 /nfs/dbraw/zinc/72/06/66/448720666.db2.gz LTBQUVUACOCEPS-QGZVFWFLSA-N 1 2 333.363 1.571 40 0 EDABLO CO[C@@H]1COC[C@@H](N(C)C(=O)Cc2c(C)[nH+]c3ccccn32)[C@@H]1OC ZINC000585287725 448733561 /nfs/dbraw/zinc/73/35/61/448733561.db2.gz CJQXMGWQIJNXPM-RKVPGOIHSA-N 1 2 347.415 1.072 40 0 EDABLO CC(C)NC(=O)[C@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@@H+]1CC1CC1 ZINC000575405921 449093049 /nfs/dbraw/zinc/09/30/49/449093049.db2.gz UYTHBIAPLUTOSN-MRXNPFEDSA-N 1 2 349.475 1.003 40 0 EDABLO CC(C)NC(=O)[C@H]1COC2(CN(C(=O)C3CCC3)C2)C[N@H+]1CC1CC1 ZINC000575405921 449093051 /nfs/dbraw/zinc/09/30/51/449093051.db2.gz UYTHBIAPLUTOSN-MRXNPFEDSA-N 1 2 349.475 1.003 40 0 EDABLO CC(=O)Nc1cc(C(=O)N2CC[C@H](c3[nH+]c(C)cn3C)C2)ccn1 ZINC000257236619 534684839 /nfs/dbraw/zinc/68/48/39/534684839.db2.gz HCZQIXMKGKDWFP-AWEZNQCLSA-N 1 2 327.388 1.712 40 0 EDABLO Cn1cc[nH+]c1CNC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@]12C ZINC000100217386 219095048 /nfs/dbraw/zinc/09/50/48/219095048.db2.gz PYFQETZYGCXPEP-SUNYJGFJSA-N 1 2 338.367 1.124 40 0 EDABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc2c(c1)OCCCO2 ZINC000036741462 213115816 /nfs/dbraw/zinc/11/58/16/213115816.db2.gz WWQCRYLDWNTBQI-INIZCTEOSA-N 1 2 348.443 1.617 40 0 EDABLO Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257217384 244171016 /nfs/dbraw/zinc/17/10/16/244171016.db2.gz CYSJYVVMMKPAOM-KRWDZBQOSA-N 1 2 330.388 1.482 40 0 EDABLO Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257222905 244190671 /nfs/dbraw/zinc/19/06/71/244190671.db2.gz DVCNHWFHQDPHKA-LJQANCHMSA-N 1 2 340.427 1.889 40 0 EDABLO C[N@H+](CC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1)Cc1cccnc1 ZINC000257271791 244379938 /nfs/dbraw/zinc/37/99/38/244379938.db2.gz MZUNGKXNPRJBOA-OAHLLOKOSA-N 1 2 341.415 1.415 40 0 EDABLO C[N@@H+](CC(=O)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1)Cc1cccnc1 ZINC000257271791 244379947 /nfs/dbraw/zinc/37/99/47/244379947.db2.gz MZUNGKXNPRJBOA-OAHLLOKOSA-N 1 2 341.415 1.415 40 0 EDABLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2[nH]c(C)nc2c1 ZINC000012116869 211295389 /nfs/dbraw/zinc/29/53/89/211295389.db2.gz FKLDACFVTINMBD-AWEZNQCLSA-N 1 2 327.344 1.109 40 0 EDABLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc2[nH]c(C)nc2c1 ZINC000012116869 211295392 /nfs/dbraw/zinc/29/53/92/211295392.db2.gz FKLDACFVTINMBD-AWEZNQCLSA-N 1 2 327.344 1.109 40 0 EDABLO CS(=O)(=O)N1CC[C@@]2(C1)CCC[C@H](CNc1cccc[nH+]1)O2 ZINC000096216688 218690322 /nfs/dbraw/zinc/69/03/22/218690322.db2.gz KYDFUAFEWFIAMC-UKRRQHHQSA-N 1 2 325.434 1.467 40 0 EDABLO COc1ccccc1N1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000057711759 132201613 /nfs/dbraw/zinc/20/16/13/132201613.db2.gz LZCIARZHVVZNSI-OAHLLOKOSA-N 1 2 333.432 1.112 40 0 EDABLO Cn1cncc1C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108535125 279391292 /nfs/dbraw/zinc/39/12/92/279391292.db2.gz RWDMDNRVQBUTET-HOTGVXAUSA-N 1 2 346.456 1.597 40 0 EDABLO Cn1cncc1C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108535125 279391295 /nfs/dbraw/zinc/39/12/95/279391295.db2.gz RWDMDNRVQBUTET-HOTGVXAUSA-N 1 2 346.456 1.597 40 0 EDABLO Cn1c[nH+]cc1CN1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108535125 279391298 /nfs/dbraw/zinc/39/12/98/279391298.db2.gz RWDMDNRVQBUTET-HOTGVXAUSA-N 1 2 346.456 1.597 40 0 EDABLO NC(=O)C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000257268117 303250150 /nfs/dbraw/zinc/25/01/50/303250150.db2.gz MKHLTWRVUVRZGF-CQSZACIVSA-N 1 2 329.379 1.877 40 0 EDABLO NC(=O)C[N@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000257268117 303250153 /nfs/dbraw/zinc/25/01/53/303250153.db2.gz MKHLTWRVUVRZGF-CQSZACIVSA-N 1 2 329.379 1.877 40 0 EDABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 ZINC000096044921 441993666 /nfs/dbraw/zinc/99/36/66/441993666.db2.gz UULGLJKLYZRZKZ-CQSZACIVSA-N 1 2 327.388 1.376 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)no1 ZINC000096219470 442090028 /nfs/dbraw/zinc/09/00/28/442090028.db2.gz YSAMTCWJICCLTF-OWCLPIDISA-N 1 2 347.440 1.808 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](C(=O)NCc4cccs4)[C@H]3C2)no1 ZINC000096219470 442090031 /nfs/dbraw/zinc/09/00/31/442090031.db2.gz YSAMTCWJICCLTF-OWCLPIDISA-N 1 2 347.440 1.808 40 0 EDABLO O=C(Cc1ccccn1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188562 442065205 /nfs/dbraw/zinc/06/52/05/442065205.db2.gz KNQWFFNVHRXJFV-HNNXBMFYSA-N 1 2 336.399 1.376 40 0 EDABLO Cc1nc(C)n(C[C@@H]2Cn3cc[nH+]c3CN(Cc3nccs3)C2)n1 ZINC000096188702 442066299 /nfs/dbraw/zinc/06/62/99/442066299.db2.gz CJZYFFRGOATADR-AWEZNQCLSA-N 1 2 343.460 1.880 40 0 EDABLO c1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 ZINC000096226461 442095303 /nfs/dbraw/zinc/09/53/03/442095303.db2.gz KIJGXAHJTQXXAH-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO c1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 ZINC000096226461 442095306 /nfs/dbraw/zinc/09/53/06/442095306.db2.gz KIJGXAHJTQXXAH-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO Cc1cnc(N2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096202252 442077299 /nfs/dbraw/zinc/07/72/99/442077299.db2.gz GPZHVKPOEZKRJJ-GOSISDBHSA-N 1 2 325.416 1.913 40 0 EDABLO c1csc(C[N@@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096202297 442077832 /nfs/dbraw/zinc/07/78/32/442077832.db2.gz RIRCTSSPYUZYJU-INIZCTEOSA-N 1 2 331.445 1.662 40 0 EDABLO c1csc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)n1 ZINC000096202297 442077837 /nfs/dbraw/zinc/07/78/37/442077837.db2.gz RIRCTSSPYUZYJU-INIZCTEOSA-N 1 2 331.445 1.662 40 0 EDABLO O=C(c1ccccc1F)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246498 442101427 /nfs/dbraw/zinc/10/14/27/442101427.db2.gz KOSKZNNHXCCDDP-XYPHTWIQSA-N 1 2 334.391 1.530 40 0 EDABLO O=C(c1ccccc1F)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246498 442101432 /nfs/dbraw/zinc/10/14/32/442101432.db2.gz KOSKZNNHXCCDDP-XYPHTWIQSA-N 1 2 334.391 1.530 40 0 EDABLO COCC(=O)N1CC[C@@H]2C[N@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC000096249703 442102531 /nfs/dbraw/zinc/10/25/31/442102531.db2.gz YAAKGCGSKFAVPS-UKRRQHHQSA-N 1 2 339.461 1.147 40 0 EDABLO COCC(=O)N1CC[C@@H]2C[N@@H+](Cc3csc(C)n3)CCO[C@@H]2C1 ZINC000096249703 442102536 /nfs/dbraw/zinc/10/25/36/442102536.db2.gz YAAKGCGSKFAVPS-UKRRQHHQSA-N 1 2 339.461 1.147 40 0 EDABLO COc1ccc(S(=O)(=O)N2Cc3nc(C[NH+](C)C)oc3C2)cc1 ZINC000096260257 442107863 /nfs/dbraw/zinc/10/78/63/442107863.db2.gz KPEPIQRJFKQLOD-UHFFFAOYSA-N 1 2 337.401 1.449 40 0 EDABLO O=C(CO[C@@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1)N1CCCC1 ZINC000247742172 442867783 /nfs/dbraw/zinc/86/77/83/442867783.db2.gz OVHPVDOCELCQHH-QGZVFWFLSA-N 1 2 345.443 1.454 40 0 EDABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](CCNS(C)(=O)=O)C2)o1 ZINC000248049842 442879490 /nfs/dbraw/zinc/87/94/90/442879490.db2.gz ASLWVMLLOYFWJX-CYBMUJFWSA-N 1 2 338.433 1.281 40 0 EDABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNS(C)(=O)=O)CO3)o1 ZINC000248098478 442881747 /nfs/dbraw/zinc/88/17/47/442881747.db2.gz NDIOYJPHGVTXAW-CYBMUJFWSA-N 1 2 328.434 1.118 40 0 EDABLO CN(C(=O)CCc1ccnn1C)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257295995 443135515 /nfs/dbraw/zinc/13/55/15/443135515.db2.gz RATZJNZYTREOSK-MRXNPFEDSA-N 1 2 327.432 1.875 40 0 EDABLO CCn1c(SCC(=O)N2CC[NH+](C)CC2)nnc1-c1ccncc1 ZINC000340547964 444434024 /nfs/dbraw/zinc/43/40/24/444434024.db2.gz REBFEWWGAIKSIW-UHFFFAOYSA-N 1 2 346.460 1.226 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)c2ccco2)cn1 ZINC000585102644 448686954 /nfs/dbraw/zinc/68/69/54/448686954.db2.gz DKMMQFKZSFXVLP-HNNXBMFYSA-N 1 2 344.415 1.424 40 0 EDABLO COCC(=O)N1CCC[C@H](c2cncc(-c3c[nH+]c(C)n3C)n2)C1 ZINC000585260984 448715745 /nfs/dbraw/zinc/71/57/45/448715745.db2.gz ZXSAJTFJOGAVNY-ZDUSSCGKSA-N 1 2 329.404 1.538 40 0 EDABLO CCn1cc(C[N@@H+]2CCOC[C@@](O)(COc3ccccc3C)C2)cn1 ZINC000585277315 448724279 /nfs/dbraw/zinc/72/42/79/448724279.db2.gz UJBRULMIIDQCMA-LJQANCHMSA-N 1 2 345.443 1.854 40 0 EDABLO CCn1cc(C[N@H+]2CCOC[C@@](O)(COc3ccccc3C)C2)cn1 ZINC000585277315 448724283 /nfs/dbraw/zinc/72/42/83/448724283.db2.gz UJBRULMIIDQCMA-LJQANCHMSA-N 1 2 345.443 1.854 40 0 EDABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000585278207 448727227 /nfs/dbraw/zinc/72/72/27/448727227.db2.gz NGMBHBKXBHIGMB-GOSISDBHSA-N 1 2 347.415 1.269 40 0 EDABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000585278207 448727232 /nfs/dbraw/zinc/72/72/32/448727232.db2.gz NGMBHBKXBHIGMB-GOSISDBHSA-N 1 2 347.415 1.269 40 0 EDABLO NC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000038756437 213224489 /nfs/dbraw/zinc/22/44/89/213224489.db2.gz JUKLIKGHJXNWSB-UHFFFAOYSA-N 1 2 339.395 1.870 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000072388395 216188561 /nfs/dbraw/zinc/18/85/61/216188561.db2.gz VJTRHNWHBVABAH-SFHVURJKSA-N 1 2 342.447 1.732 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000072388395 216188564 /nfs/dbraw/zinc/18/85/64/216188564.db2.gz VJTRHNWHBVABAH-SFHVURJKSA-N 1 2 342.447 1.732 40 0 EDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2nccn2C)CC3)C1 ZINC000072389581 216189615 /nfs/dbraw/zinc/18/96/15/216189615.db2.gz CBKAGMWFQYOLEB-ZDUSSCGKSA-N 1 2 342.447 1.298 40 0 EDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2nccn2C)CC3)C1 ZINC000072389581 216189617 /nfs/dbraw/zinc/18/96/17/216189617.db2.gz CBKAGMWFQYOLEB-ZDUSSCGKSA-N 1 2 342.447 1.298 40 0 EDABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CN(Cc2[nH+]ccn2C)CC3)C1 ZINC000072389581 216189621 /nfs/dbraw/zinc/18/96/21/216189621.db2.gz CBKAGMWFQYOLEB-ZDUSSCGKSA-N 1 2 342.447 1.298 40 0 EDABLO COc1cc(CCC(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)on1 ZINC000257213099 244157756 /nfs/dbraw/zinc/15/77/56/244157756.db2.gz CGDYVVQJQZDHGK-XJKCOSOUSA-N 1 2 334.376 1.035 40 0 EDABLO CCCn1cc[nH+]c1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 ZINC000257216700 244169704 /nfs/dbraw/zinc/16/97/04/244169704.db2.gz CVSWMOBRRWALTR-IRXDYDNUSA-N 1 2 340.427 1.909 40 0 EDABLO O=C(CC1CCOCC1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257245799 244256497 /nfs/dbraw/zinc/25/64/97/244256497.db2.gz IRDFQCPOFLXKHS-SFHVURJKSA-N 1 2 333.432 1.346 40 0 EDABLO C[C@]1(O)CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1 ZINC000257239812 244237908 /nfs/dbraw/zinc/23/79/08/244237908.db2.gz HQXHXIGDXFOBKT-WMZOPIPTSA-N 1 2 329.400 1.704 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)CCOc2cccc(F)c2)C[C@@H]1C(N)=O ZINC000257248987 244263151 /nfs/dbraw/zinc/26/31/51/244263151.db2.gz JGDPHYQTBLKLFS-OAHLLOKOSA-N 1 2 337.395 1.001 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)CCOc2cccc(F)c2)C[C@@H]1C(N)=O ZINC000257248987 244263155 /nfs/dbraw/zinc/26/31/55/244263155.db2.gz JGDPHYQTBLKLFS-OAHLLOKOSA-N 1 2 337.395 1.001 40 0 EDABLO Cc1cc(N(C)C2CC3(C2)CCN(C(=O)Cn2cccn2)C3)nc[nH+]1 ZINC000257262891 244352726 /nfs/dbraw/zinc/35/27/26/244352726.db2.gz LNMGNTYROOTLRN-UHFFFAOYSA-N 1 2 340.431 1.499 40 0 EDABLO CC(C)n1nccc1C(=O)N(C)C[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257264716 244358625 /nfs/dbraw/zinc/35/86/25/244358625.db2.gz LVTWNDDZEHXHGJ-GOSISDBHSA-N 1 2 343.431 1.572 40 0 EDABLO Cc1cc(C(F)(F)F)nc(SCC(=O)N2CC[NH+](C)CC2)n1 ZINC000408558172 250304911 /nfs/dbraw/zinc/30/49/11/250304911.db2.gz SCEOOVVAGKNCOH-UHFFFAOYSA-N 1 2 334.367 1.670 40 0 EDABLO CC(=O)N1CCC[C@H]1c1cncc(C[N@@H+]2CCCN(C(C)=O)CC2)n1 ZINC000257263583 278030819 /nfs/dbraw/zinc/03/08/19/278030819.db2.gz LQQLZEQLYMADSL-SFHVURJKSA-N 1 2 345.447 1.214 40 0 EDABLO CC(=O)N1CCC[C@H]1c1cncc(C[N@H+]2CCCN(C(C)=O)CC2)n1 ZINC000257263583 278030821 /nfs/dbraw/zinc/03/08/21/278030821.db2.gz LQQLZEQLYMADSL-SFHVURJKSA-N 1 2 345.447 1.214 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cn1 ZINC000096041363 441988032 /nfs/dbraw/zinc/98/80/32/441988032.db2.gz VCTZHLDDWHUJLP-BZSNNMDCSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cn1 ZINC000096041363 441988039 /nfs/dbraw/zinc/98/80/39/441988039.db2.gz VCTZHLDDWHUJLP-BZSNNMDCSA-N 1 2 328.416 1.764 40 0 EDABLO c1cnc(N2CCC[C@@]3(C2)C[N@H+](Cc2cccnc2)CCO3)nc1 ZINC000096074826 442020647 /nfs/dbraw/zinc/02/06/47/442020647.db2.gz IUELBAITMGHMMK-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO c1cnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)nc1 ZINC000096074826 442020652 /nfs/dbraw/zinc/02/06/52/442020652.db2.gz IUELBAITMGHMMK-SFHVURJKSA-N 1 2 325.416 1.743 40 0 EDABLO C[N@@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)CC(F)(F)F)CC2 ZINC000096077170 442021888 /nfs/dbraw/zinc/02/18/88/442021888.db2.gz ZEMJCMGFZDLOCD-UHFFFAOYSA-N 1 2 347.381 1.484 40 0 EDABLO C[N@H+]1CCN(CC2CC2)C(=O)C12CCN(C(=O)CC(F)(F)F)CC2 ZINC000096077170 442021891 /nfs/dbraw/zinc/02/18/91/442021891.db2.gz ZEMJCMGFZDLOCD-UHFFFAOYSA-N 1 2 347.381 1.484 40 0 EDABLO Cn1cc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cn1 ZINC000096112162 442035837 /nfs/dbraw/zinc/03/58/37/442035837.db2.gz ZUVDNWKMVSLMOQ-OCCSQVGLSA-N 1 2 330.367 1.431 40 0 biogenic,in-vitro EDABLO Cn1cc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cn1 ZINC000096112162 442035844 /nfs/dbraw/zinc/03/58/44/442035844.db2.gz ZUVDNWKMVSLMOQ-OCCSQVGLSA-N 1 2 330.367 1.431 40 0 biogenic,in-vitro EDABLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(Cc1ccsc1)C2 ZINC000096187560 442063940 /nfs/dbraw/zinc/06/39/40/442063940.db2.gz VDMIQGVNOYJWLV-UHFFFAOYSA-N 1 2 345.472 1.385 40 0 EDABLO COCCC(=O)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188030 442065585 /nfs/dbraw/zinc/06/55/85/442065585.db2.gz CTQRLGCQWOWNEX-CQSZACIVSA-N 1 2 330.388 1.352 40 0 EDABLO O=C(c1ccccn1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202269 442077675 /nfs/dbraw/zinc/07/76/75/442077675.db2.gz YZVRXQQXMAEOGM-IBGZPJMESA-N 1 2 338.411 1.846 40 0 EDABLO O=C(NC1CC1)N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC000096230238 442097536 /nfs/dbraw/zinc/09/75/36/442097536.db2.gz ZKFFCVCOSMZETA-UHFFFAOYSA-N 1 2 342.443 1.325 40 0 EDABLO O=C(NC1CC1)N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC000096230238 442097539 /nfs/dbraw/zinc/09/75/39/442097539.db2.gz ZKFFCVCOSMZETA-UHFFFAOYSA-N 1 2 342.443 1.325 40 0 EDABLO Cc1ncsc1C[N@@H+]1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 ZINC000247949611 442874089 /nfs/dbraw/zinc/87/40/89/442874089.db2.gz BTOWRFKFLFGQPL-HNNXBMFYSA-N 1 2 348.472 1.915 40 0 EDABLO Cc1ncsc1C[N@H+]1Cc2cccn2[C@H](COCC(=O)N(C)C)C1 ZINC000247949611 442874095 /nfs/dbraw/zinc/87/40/95/442874095.db2.gz BTOWRFKFLFGQPL-HNNXBMFYSA-N 1 2 348.472 1.915 40 0 EDABLO CN1C(=O)C2(C[C@@H]1Cc1cccnc1)CC[NH+](Cc1ncc[nH]1)CC2 ZINC000257317234 443144099 /nfs/dbraw/zinc/14/40/99/443144099.db2.gz VIXFMQARLVZIHS-INIZCTEOSA-N 1 2 339.443 1.860 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000257317548 443145315 /nfs/dbraw/zinc/14/53/15/443145315.db2.gz VKEZAIOWDSIEFQ-MRXNPFEDSA-N 1 2 335.423 1.555 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)CCCc2ccc(F)cc2)C[C@@H]1C(N)=O ZINC000257317548 443145318 /nfs/dbraw/zinc/14/53/18/443145318.db2.gz VKEZAIOWDSIEFQ-MRXNPFEDSA-N 1 2 335.423 1.555 40 0 EDABLO OCCNc1nc(NCc2ccc(F)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329048365 444457456 /nfs/dbraw/zinc/45/74/56/444457456.db2.gz UJPJBUNVWDGRNH-UHFFFAOYSA-N 1 2 339.374 1.538 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)cc3)C2)C[N@@H+]1CC1CC1 ZINC000585109340 448689744 /nfs/dbraw/zinc/68/97/44/448689744.db2.gz KQEQULVAIMDWIF-GOSISDBHSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)cc3)C2)C[N@H+]1CC1CC1 ZINC000585109340 448689750 /nfs/dbraw/zinc/68/97/50/448689750.db2.gz KQEQULVAIMDWIF-GOSISDBHSA-N 1 2 343.471 1.406 40 0 EDABLO CNC(=O)[C@H]1COC2(C[NH+](Cc3ccc(C)cc3)C2)CN1CC1CC1 ZINC000585109340 448689758 /nfs/dbraw/zinc/68/97/58/448689758.db2.gz KQEQULVAIMDWIF-GOSISDBHSA-N 1 2 343.471 1.406 40 0 EDABLO Cc1ccc(OC[C@@]2(O)COCC[N@H+](Cc3cnccn3)C2)cc1 ZINC000585269466 448718382 /nfs/dbraw/zinc/71/83/82/448718382.db2.gz VMBVRKVPRLYCGR-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO Cc1ccc(OC[C@@]2(O)COCC[N@@H+](Cc3cnccn3)C2)cc1 ZINC000585269466 448718388 /nfs/dbraw/zinc/71/83/88/448718388.db2.gz VMBVRKVPRLYCGR-SFHVURJKSA-N 1 2 329.400 1.427 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](CO)N(C(=O)c1ccc3c(c1)OCCCO3)C2 ZINC000585094581 448676919 /nfs/dbraw/zinc/67/69/19/448676919.db2.gz CIRYKBUMMDHFPV-CYBMUJFWSA-N 1 2 343.383 1.141 40 0 EDABLO C[C@H]1c2[nH+]cc(CCOc3cccnc3)n2CCN1S(C)(=O)=O ZINC000585097293 448680999 /nfs/dbraw/zinc/68/09/99/448680999.db2.gz IBADELOPJNUAAQ-LBPRGKRZSA-N 1 2 336.417 1.236 40 0 EDABLO Cc1ccccc1C[C@]1(CO)C[N@H+](Cc2cnc(C)nc2)CCO1 ZINC000585277699 448725218 /nfs/dbraw/zinc/72/52/18/448725218.db2.gz XCCAGUQHBWTXGT-LJQANCHMSA-N 1 2 327.428 1.899 40 0 EDABLO Cc1ccccc1C[C@]1(CO)C[N@@H+](Cc2cnc(C)nc2)CCO1 ZINC000585277699 448725221 /nfs/dbraw/zinc/72/52/21/448725221.db2.gz XCCAGUQHBWTXGT-LJQANCHMSA-N 1 2 327.428 1.899 40 0 EDABLO CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2C(=O)CCn1cc[nH+]c1 ZINC000585287964 448733248 /nfs/dbraw/zinc/73/32/48/448733248.db2.gz KAWIRIXIPILZAN-KBXCAEBGSA-N 1 2 348.447 1.338 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2C[N@H+](Cc3ccsc3)CCO2)n1 ZINC000257248729 244263378 /nfs/dbraw/zinc/26/33/78/244263378.db2.gz JEXPUKXUYXEQOI-HNNXBMFYSA-N 1 2 332.429 1.748 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2C[N@@H+](Cc3ccsc3)CCO2)n1 ZINC000257248729 244263384 /nfs/dbraw/zinc/26/33/84/244263384.db2.gz JEXPUKXUYXEQOI-HNNXBMFYSA-N 1 2 332.429 1.748 40 0 EDABLO Cc1nc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)co1 ZINC000257275320 244391370 /nfs/dbraw/zinc/39/13/70/244391370.db2.gz NOWBVZNIQXRGPC-KRWDZBQOSA-N 1 2 330.388 1.482 40 0 EDABLO CC(C)[N@@H+]1CCN(C(=O)CCCN(C)c2ccccc2)C[C@@H]1C(N)=O ZINC000257306549 244479723 /nfs/dbraw/zinc/47/97/23/244479723.db2.gz SURXCIXSZPEAGK-QGZVFWFLSA-N 1 2 346.475 1.310 40 0 EDABLO CC(C)[N@H+]1CCN(C(=O)CCCN(C)c2ccccc2)C[C@@H]1C(N)=O ZINC000257306549 244479728 /nfs/dbraw/zinc/47/97/28/244479728.db2.gz SURXCIXSZPEAGK-QGZVFWFLSA-N 1 2 346.475 1.310 40 0 EDABLO CCCCCc1c(O)nc(SCC[NH+]2CCOCC2)[nH]c1=O ZINC000013556811 441161222 /nfs/dbraw/zinc/16/12/22/441161222.db2.gz JSQLAPKQBSSMRP-UHFFFAOYSA-N 1 2 327.450 1.633 40 0 EDABLO CN(C)C(=O)c1cccc([C@H]2CN(c3ncccn3)CC[N@@H+]2C)c1 ZINC000072368975 441231433 /nfs/dbraw/zinc/23/14/33/441231433.db2.gz BWSZSFVTDKNLKQ-MRXNPFEDSA-N 1 2 325.416 1.672 40 0 EDABLO CN(C)C(=O)c1cccc([C@H]2CN(c3ncccn3)CC[N@H+]2C)c1 ZINC000072368975 441231436 /nfs/dbraw/zinc/23/14/36/441231436.db2.gz BWSZSFVTDKNLKQ-MRXNPFEDSA-N 1 2 325.416 1.672 40 0 EDABLO Cn1cc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC000077266708 441744438 /nfs/dbraw/zinc/74/44/38/441744438.db2.gz QJQDFOVLLBXMEV-QGZVFWFLSA-N 1 2 343.406 1.681 40 0 biogenic,in-vitro EDABLO Cn1cc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cn1 ZINC000077266708 441744445 /nfs/dbraw/zinc/74/44/45/441744445.db2.gz QJQDFOVLLBXMEV-QGZVFWFLSA-N 1 2 343.406 1.681 40 0 biogenic,in-vitro EDABLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1Cc1ccsc1 ZINC000096061105 442008265 /nfs/dbraw/zinc/00/82/65/442008265.db2.gz AKDOJNVILVKQJA-AWEZNQCLSA-N 1 2 344.444 1.771 40 0 EDABLO COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1Cc1ccsc1 ZINC000096061105 442008268 /nfs/dbraw/zinc/00/82/68/442008268.db2.gz AKDOJNVILVKQJA-AWEZNQCLSA-N 1 2 344.444 1.771 40 0 EDABLO Cc1ccc(C(=O)N2CCn3c(Cn4cncn4)c[nH+]c3[C@@H]2C)o1 ZINC000096062110 442010182 /nfs/dbraw/zinc/01/01/82/442010182.db2.gz MLVUPCGBZKSVDY-LBPRGKRZSA-N 1 2 326.360 1.641 40 0 EDABLO Cc1noc(C)c1CN1CCn2c(Cn3cncn3)c[nH+]c2[C@@H]1C ZINC000096070161 442017463 /nfs/dbraw/zinc/01/74/63/442017463.db2.gz FGHUQKVZYJRHAL-LBPRGKRZSA-N 1 2 327.392 1.705 40 0 EDABLO Cc1noc(C)c1CN1CCO[C@H]2CN(Cc3[nH+]ccn3C)C[C@H]21 ZINC000096081731 442023746 /nfs/dbraw/zinc/02/37/46/442023746.db2.gz OIAIASVFDNMGKT-CVEARBPZSA-N 1 2 331.420 1.110 40 0 EDABLO Cn1c[nH+]cc1CN1CCO[C@@]2(CCCN(c3cccnc3)C2)C1 ZINC000096226331 442095021 /nfs/dbraw/zinc/09/50/21/442095021.db2.gz UBNFVWJRPDCQJC-SFHVURJKSA-N 1 2 327.432 1.687 40 0 EDABLO Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)n1 ZINC000096185945 442060658 /nfs/dbraw/zinc/06/06/58/442060658.db2.gz CCRXQBGFIVEWQO-BFYDXBDKSA-N 1 2 342.399 1.540 40 0 EDABLO Cc1cccc(C[N@H+]2C[C@@H](NC(=O)c3ccno3)[C@H]3OCCC[C@H]32)n1 ZINC000096185945 442060662 /nfs/dbraw/zinc/06/06/62/442060662.db2.gz CCRXQBGFIVEWQO-BFYDXBDKSA-N 1 2 342.399 1.540 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@@H](COCc2ccccn2)C1 ZINC000096188169 442066052 /nfs/dbraw/zinc/06/60/52/442066052.db2.gz VVZRSPOKSHGNQO-CQSZACIVSA-N 1 2 341.415 1.799 40 0 EDABLO O=C(Cc1ccccn1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096208041 442082948 /nfs/dbraw/zinc/08/29/48/442082948.db2.gz YRLRTQLVTBEPIK-INIZCTEOSA-N 1 2 340.427 1.906 40 0 EDABLO Fc1cnc(N2CC[C@@H]3OCC[N@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000096249418 442102449 /nfs/dbraw/zinc/10/24/49/442102449.db2.gz QMJKMJSJHHZVIW-IRXDYDNUSA-N 1 2 343.406 1.881 40 0 EDABLO Fc1cnc(N2CC[C@@H]3OCC[N@@H+](Cc4ccncc4)[C@H]3CC2)nc1 ZINC000096249418 442102453 /nfs/dbraw/zinc/10/24/53/442102453.db2.gz QMJKMJSJHHZVIW-IRXDYDNUSA-N 1 2 343.406 1.881 40 0 EDABLO O=C(c1c[nH]cn1)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096259693 442107104 /nfs/dbraw/zinc/10/71/04/442107104.db2.gz NWRVFWKPTPJUPD-UHFFFAOYSA-N 1 2 329.408 1.033 40 0 EDABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)cc1 ZINC000247888205 442872081 /nfs/dbraw/zinc/87/20/81/442872081.db2.gz LWVYGAFJUIOXSW-KZNAEPCWSA-N 1 2 330.428 1.907 40 0 EDABLO COc1ccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)N4CCCC4)[C@@H](C2)O3)cc1 ZINC000247888205 442872086 /nfs/dbraw/zinc/87/20/86/442872086.db2.gz LWVYGAFJUIOXSW-KZNAEPCWSA-N 1 2 330.428 1.907 40 0 EDABLO Cn1cc[nH+]c1CN1CCO[C@@H]2[C@H](CNc3cccnc3)CC[C@@H]21 ZINC000248151506 442883626 /nfs/dbraw/zinc/88/36/26/442883626.db2.gz UIMFYXXDDXGCSG-QILLFSRXSA-N 1 2 327.432 1.907 40 0 EDABLO CN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(-c3c[nH+]cn3C)n2)C1 ZINC000257285858 443131215 /nfs/dbraw/zinc/13/12/15/443131215.db2.gz PJEYVFPNKUGQDU-CYBMUJFWSA-N 1 2 349.460 1.468 40 0 EDABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)CC1(O)CCCCC1 ZINC000257313926 443143520 /nfs/dbraw/zinc/14/35/20/443143520.db2.gz UURRBHPKYHHDDU-LJQANCHMSA-N 1 2 347.459 1.567 40 0 EDABLO Cn1nccc1C(=O)N1CC[C@@]2(Cc3[nH+]cc(-c4cccnc4)n3C2)C1 ZINC000306127370 444285844 /nfs/dbraw/zinc/28/58/44/444285844.db2.gz FWVFXIAOSDHEEF-LJQANCHMSA-N 1 2 348.410 1.767 40 0 EDABLO OCCCNc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329069665 444463685 /nfs/dbraw/zinc/46/36/85/444463685.db2.gz YZCABYPOCSZPID-UHFFFAOYSA-N 1 2 341.440 1.850 40 0 EDABLO CCS(=O)(=O)NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112582 448692177 /nfs/dbraw/zinc/69/21/77/448692177.db2.gz TVSHWYNFGPVQMX-KRWDZBQOSA-N 1 2 348.472 1.769 40 0 EDABLO CCS(=O)(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000585112582 448692181 /nfs/dbraw/zinc/69/21/81/448692181.db2.gz TVSHWYNFGPVQMX-KRWDZBQOSA-N 1 2 348.472 1.769 40 0 EDABLO CCn1ncc(S(=O)(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1C ZINC000585181457 448715033 /nfs/dbraw/zinc/71/50/33/448715033.db2.gz KMFYMPDNCFICIF-LBPRGKRZSA-N 1 2 339.421 1.005 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](CO)N(C(=O)CC1Cc3ccccc3C1)C2 ZINC000585094881 448676994 /nfs/dbraw/zinc/67/69/94/448676994.db2.gz RYDSNVTWPUCWHP-INIZCTEOSA-N 1 2 325.412 1.471 40 0 EDABLO COC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc2c(c1)OCO2 ZINC000585094808 448677012 /nfs/dbraw/zinc/67/70/12/448677012.db2.gz NNCGCBCFFKBDGK-LBPRGKRZSA-N 1 2 329.356 1.362 40 0 EDABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)COc1ccc(F)cc1 ZINC000585094976 448677160 /nfs/dbraw/zinc/67/71/60/448677160.db2.gz XWBRSYZYAWXZED-CQSZACIVSA-N 1 2 347.390 1.928 40 0 EDABLO COC[C@]1(CC(N)=O)C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000585278208 448727293 /nfs/dbraw/zinc/72/72/93/448727293.db2.gz NGMBHBKXBHIGMB-SFHVURJKSA-N 1 2 347.415 1.269 40 0 EDABLO COC[C@]1(CC(N)=O)C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000585278208 448727297 /nfs/dbraw/zinc/72/72/97/448727297.db2.gz NGMBHBKXBHIGMB-SFHVURJKSA-N 1 2 347.415 1.269 40 0 EDABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2cn(C)nc2C)cc[nH+]1 ZINC000257205695 244133675 /nfs/dbraw/zinc/13/36/75/244133675.db2.gz BAFNXUNBFVRNRM-CYBMUJFWSA-N 1 2 335.433 1.691 40 0 EDABLO CNc1[nH+]c([C@H]2CCN(C(=O)c3ccn(C)n3)C2)c2sccn12 ZINC000257252174 244270561 /nfs/dbraw/zinc/27/05/61/244270561.db2.gz JTUXBBULZMEMAS-JTQLQIEISA-N 1 2 330.417 1.801 40 0 EDABLO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000257252778 244274283 /nfs/dbraw/zinc/27/42/83/244274283.db2.gz JWCULATXKXMAOK-LBPRGKRZSA-N 1 2 346.460 1.958 40 0 EDABLO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000257252778 244274285 /nfs/dbraw/zinc/27/42/85/244274285.db2.gz JWCULATXKXMAOK-LBPRGKRZSA-N 1 2 346.460 1.958 40 0 EDABLO Cn1c[nH+]cc1CN1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257266549 244363864 /nfs/dbraw/zinc/36/38/64/244363864.db2.gz MDMAAMRTGUKDGL-LBPRGKRZSA-N 1 2 337.449 1.001 40 0 EDABLO Cc1ncc(C[N@@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019287246 212010234 /nfs/dbraw/zinc/01/02/34/212010234.db2.gz BUJBJVJEAPUVMC-UHFFFAOYSA-N 1 2 334.383 1.489 40 0 EDABLO Cc1ncc(C[N@H+]2CCc3c(nc(-c4ccncc4)[nH]c3=O)C2)cn1 ZINC000019287246 212010239 /nfs/dbraw/zinc/01/02/39/212010239.db2.gz BUJBJVJEAPUVMC-UHFFFAOYSA-N 1 2 334.383 1.489 40 0 EDABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(C)=O)c(C)c2)CC1 ZINC000408624516 250307647 /nfs/dbraw/zinc/30/76/47/250307647.db2.gz QPLHMOXEWVSPHV-UHFFFAOYSA-N 1 2 325.434 1.280 40 0 EDABLO O=C(c1cnccn1)N1C[C@@H](Nc2cccc[nH+]2)[C@H]2OCCC[C@H]2C1 ZINC000096040693 218522837 /nfs/dbraw/zinc/52/28/37/218522837.db2.gz PGJHQNPZSKEWEU-LXZKKBNFSA-N 1 2 339.399 1.603 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@@H+]([C@H]1CCOC1)C2 ZINC000107214319 441404181 /nfs/dbraw/zinc/40/41/81/441404181.db2.gz KZDRHVIIGDEPPD-CVEARBPZSA-N 1 2 328.416 1.720 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccc1)C[N@H+]([C@H]1CCOC1)C2 ZINC000107214319 441404183 /nfs/dbraw/zinc/40/41/83/441404183.db2.gz KZDRHVIIGDEPPD-CVEARBPZSA-N 1 2 328.416 1.720 40 0 EDABLO CN(C)C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045014 441993816 /nfs/dbraw/zinc/99/38/16/441993816.db2.gz DUOVXHLJKSKMJU-AWEZNQCLSA-N 1 2 336.436 1.444 40 0 EDABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1Cc1ccsc1 ZINC000096061104 442008810 /nfs/dbraw/zinc/00/88/10/442008810.db2.gz AKDOJNVILVKQJA-CQSZACIVSA-N 1 2 344.444 1.771 40 0 EDABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1Cc1ccsc1 ZINC000096061104 442008814 /nfs/dbraw/zinc/00/88/14/442008814.db2.gz AKDOJNVILVKQJA-CQSZACIVSA-N 1 2 344.444 1.771 40 0 EDABLO O=C(c1ccnnc1)N1Cc2[nH+]ccn2C[C@H](COCC2CC2)C1 ZINC000096187904 442065343 /nfs/dbraw/zinc/06/53/43/442065343.db2.gz RHRMCKRLMPWPIS-AWEZNQCLSA-N 1 2 327.388 1.372 40 0 EDABLO O=C(c1cnccn1)N1Cc2[nH+]ccn2C[C@@H](COCC2CC2)C1 ZINC000096187903 442065939 /nfs/dbraw/zinc/06/59/39/442065939.db2.gz CUHYZNXFDGAELK-CQSZACIVSA-N 1 2 327.388 1.372 40 0 EDABLO O=C(c1ccccc1)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188454 442066123 /nfs/dbraw/zinc/06/61/23/442066123.db2.gz TYANHBARPWGDHJ-OAHLLOKOSA-N 1 2 338.411 1.778 40 0 EDABLO O=C([C@@H]1CCOC1)N1CCN(CCn2cccn2)c2[nH+]cccc2C1 ZINC000096198994 442072724 /nfs/dbraw/zinc/07/27/24/442072724.db2.gz JHIAIJBAAVVREO-MRXNPFEDSA-N 1 2 341.415 1.163 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2C[C@H](COCC2CC2)C1 ZINC000096208037 442083034 /nfs/dbraw/zinc/08/30/34/442083034.db2.gz LGQPUDGVTNKWAZ-ZDUSSCGKSA-N 1 2 325.434 1.234 40 0 EDABLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)cs1 ZINC000096216185 442087311 /nfs/dbraw/zinc/08/73/11/442087311.db2.gz QBDFKMNJQRSMRD-OWCLPIDISA-N 1 2 344.440 1.932 40 0 EDABLO Cc1nc(C[N@H+]2C[C@H]3OC[C@H](C(=O)Nc4cccnc4)[C@H]3C2)cs1 ZINC000096216185 442087314 /nfs/dbraw/zinc/08/73/14/442087314.db2.gz QBDFKMNJQRSMRD-OWCLPIDISA-N 1 2 344.440 1.932 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239715 442099277 /nfs/dbraw/zinc/09/92/77/442099277.db2.gz BMZLQFMSJLKHQS-INIZCTEOSA-N 1 2 348.401 1.948 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239715 442099281 /nfs/dbraw/zinc/09/92/81/442099281.db2.gz BMZLQFMSJLKHQS-INIZCTEOSA-N 1 2 348.401 1.948 40 0 EDABLO O=C(c1ccc2[nH]cnc2c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257310594 443141696 /nfs/dbraw/zinc/14/16/96/443141696.db2.gz UFUWQVWUJPTSAD-HOTGVXAUSA-N 1 2 325.372 1.598 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000257318325 443145152 /nfs/dbraw/zinc/14/51/52/443145152.db2.gz VNKMRJZSZGECAL-OAHLLOKOSA-N 1 2 334.445 1.406 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000257318325 443145155 /nfs/dbraw/zinc/14/51/55/443145155.db2.gz VNKMRJZSZGECAL-OAHLLOKOSA-N 1 2 334.445 1.406 40 0 EDABLO Cc1c[nH]nc1[C@@H]1COCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000257323911 443147058 /nfs/dbraw/zinc/14/70/58/443147058.db2.gz WMIWDWUZSPPMCJ-AWEZNQCLSA-N 1 2 338.371 1.513 40 0 EDABLO Cc1ccnc([C@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)nc3)C2)n1 ZINC000257327230 443148941 /nfs/dbraw/zinc/14/89/41/443148941.db2.gz XAOJUYCSGGXYCU-HNNXBMFYSA-N 1 2 334.383 1.995 40 0 EDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1OC ZINC000329067239 444462985 /nfs/dbraw/zinc/46/29/85/444462985.db2.gz YGTCBUJHZIKMJG-UHFFFAOYSA-N 1 2 344.415 1.753 40 0 EDABLO Cc1cc(O)c2n(cn[n+]2CC(=O)c2ccc(Br)cc2)n1 ZINC000408723040 447679215 /nfs/dbraw/zinc/67/92/15/447679215.db2.gz ZCRRMJSBACSHTQ-UHFFFAOYSA-O 1 2 348.180 1.264 40 0 EDABLO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288789 448160952 /nfs/dbraw/zinc/16/09/52/448160952.db2.gz BTXWJRUPKTXBCJ-WBVHZDCISA-N 1 2 327.359 1.938 40 0 biogenic,in-vitro EDABLO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](Cc3ccncc3F)C[C@H]21 ZINC000514288789 448160956 /nfs/dbraw/zinc/16/09/56/448160956.db2.gz BTXWJRUPKTXBCJ-WBVHZDCISA-N 1 2 327.359 1.938 40 0 biogenic,in-vitro EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)s3)C2)C[N@@H+]1CC1CC1 ZINC000585109360 448690320 /nfs/dbraw/zinc/69/03/20/448690320.db2.gz LWAOAPIHLSYSLL-INIZCTEOSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@@H]1COC2(CN(Cc3ccc(C)s3)C2)C[N@H+]1CC1CC1 ZINC000585109360 448690321 /nfs/dbraw/zinc/69/03/21/448690321.db2.gz LWAOAPIHLSYSLL-INIZCTEOSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@@H]1COC2(C[NH+](Cc3ccc(C)s3)C2)CN1CC1CC1 ZINC000585109360 448690323 /nfs/dbraw/zinc/69/03/23/448690323.db2.gz LWAOAPIHLSYSLL-INIZCTEOSA-N 1 2 349.500 1.468 40 0 EDABLO CCOc1ccc(CCC(=O)N2Cc3[nH+]cn(C)c3C[C@@H]2CO)cc1 ZINC000585094810 448677054 /nfs/dbraw/zinc/67/70/54/448677054.db2.gz NNWSRLUNLUMKRI-OAHLLOKOSA-N 1 2 343.427 1.697 40 0 EDABLO CN(C(=O)CCCN1CCCC1=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257249195 535967747 /nfs/dbraw/zinc/96/77/47/535967747.db2.gz JHFWSDQLYWAKCU-MRXNPFEDSA-N 1 2 344.459 1.911 40 0 EDABLO CN(C[C@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000257241294 536452370 /nfs/dbraw/zinc/45/23/70/536452370.db2.gz HXNFJDCRPKHQGA-GOSISDBHSA-N 1 2 341.415 1.007 40 0 EDABLO OCCNc1nc(NCCC2=CCCCC2)[nH+]c(N2CCOCC2)n1 ZINC000004602596 210230856 /nfs/dbraw/zinc/23/08/56/210230856.db2.gz FYQCVNIZJLRPCX-UHFFFAOYSA-N 1 2 348.451 1.415 40 0 EDABLO OCCNc1nc(NCCC2=CCCCC2)nc(N2CCOCC2)[nH+]1 ZINC000004602596 210230859 /nfs/dbraw/zinc/23/08/59/210230859.db2.gz FYQCVNIZJLRPCX-UHFFFAOYSA-N 1 2 348.451 1.415 40 0 EDABLO OCCNc1nc(N2CCOCC2)nc(NCCC2=CCCCC2)[nH+]1 ZINC000004602596 210230852 /nfs/dbraw/zinc/23/08/52/210230852.db2.gz FYQCVNIZJLRPCX-UHFFFAOYSA-N 1 2 348.451 1.415 40 0 EDABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)c1 ZINC000072361806 216168770 /nfs/dbraw/zinc/16/87/70/216168770.db2.gz YHQAYFNHXMWGSY-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO COc1cccc(Oc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)c1 ZINC000072361806 216168773 /nfs/dbraw/zinc/16/87/73/216168773.db2.gz YHQAYFNHXMWGSY-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO CCOC(=O)N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000023643521 212387634 /nfs/dbraw/zinc/38/76/34/212387634.db2.gz CQHOMNPZOKULPG-ZDUSSCGKSA-N 1 2 342.823 1.854 40 0 EDABLO c1cnc(NC[C@@H]2CCC3(C[NH+](Cc4cccnc4)C3)OC2)nc1 ZINC000253601958 244034262 /nfs/dbraw/zinc/03/42/62/244034262.db2.gz GRIFBDZBRYCBAV-INIZCTEOSA-N 1 2 325.416 1.965 40 0 EDABLO NC(=O)[C@H]1CN(C(=O)c2cccc(Oc3ccccc3)c2)CC[NH2+]1 ZINC000257214535 244163432 /nfs/dbraw/zinc/16/34/32/244163432.db2.gz CMJKQUFWITWPMH-MRXNPFEDSA-N 1 2 325.368 1.378 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cc(C)cn2)CC[N@@H+]1C ZINC000257233211 244220753 /nfs/dbraw/zinc/22/07/53/244220753.db2.gz GOGOCQYBTYKURK-MRXNPFEDSA-N 1 2 328.416 1.715 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)Cn2cc(C)cn2)CC[N@H+]1C ZINC000257233211 244220761 /nfs/dbraw/zinc/22/07/61/244220761.db2.gz GOGOCQYBTYKURK-MRXNPFEDSA-N 1 2 328.416 1.715 40 0 EDABLO COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(F)c1 ZINC000257273013 244384290 /nfs/dbraw/zinc/38/42/90/244384290.db2.gz NEXHBVNYMDEBKO-IAGOWNOFSA-N 1 2 345.374 1.204 40 0 EDABLO COc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)c(F)c1 ZINC000257273013 244384294 /nfs/dbraw/zinc/38/42/94/244384294.db2.gz NEXHBVNYMDEBKO-IAGOWNOFSA-N 1 2 345.374 1.204 40 0 EDABLO COCCN1CCN(C(=O)c2cccc(C)n2)Cc2ccc[nH+]c21 ZINC000096060937 218553500 /nfs/dbraw/zinc/55/35/00/218553500.db2.gz SNKSHOBYSNNDEZ-UHFFFAOYSA-N 1 2 326.400 1.894 40 0 EDABLO COc1cccc(S(=O)(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)c1 ZINC000257266262 295311698 /nfs/dbraw/zinc/31/16/98/295311698.db2.gz MCFJSFCCXGUHQT-AWEZNQCLSA-N 1 2 337.401 1.489 40 0 EDABLO Cc1cc(S(=O)(=O)N2CC[NH+](CCO)CC2)c(C)c(C)c1C ZINC000028251805 441428806 /nfs/dbraw/zinc/42/88/06/441428806.db2.gz DYKYBUMCHRIOTQ-UHFFFAOYSA-N 1 2 326.462 1.219 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@@H+]([C@@H]1CCOC1)C2 ZINC000096045496 441993615 /nfs/dbraw/zinc/99/36/15/441993615.db2.gz HFDXOIOBWDSANI-UKRRQHHQSA-N 1 2 329.404 1.115 40 0 EDABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@H+]([C@@H]1CCOC1)C2 ZINC000096045496 441993618 /nfs/dbraw/zinc/99/36/18/441993618.db2.gz HFDXOIOBWDSANI-UKRRQHHQSA-N 1 2 329.404 1.115 40 0 EDABLO CCOCC[N@H+]1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045018 441993656 /nfs/dbraw/zinc/99/36/56/441993656.db2.gz IETNGSKIPMUUII-INIZCTEOSA-N 1 2 337.464 1.799 40 0 EDABLO CCOCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC2CCOCC2)C1 ZINC000096045018 441993657 /nfs/dbraw/zinc/99/36/57/441993657.db2.gz IETNGSKIPMUUII-INIZCTEOSA-N 1 2 337.464 1.799 40 0 EDABLO COC[C@@H]1CN(C(=O)c2cc(C)on2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045084 441994226 /nfs/dbraw/zinc/99/42/26/441994226.db2.gz VISUCBAJXZARFN-ZDUSSCGKSA-N 1 2 330.388 1.976 40 0 EDABLO Cc1oncc1C(=O)N1CCn2cc(CNc3cccc[nH+]3)nc2C1 ZINC000096068055 442015821 /nfs/dbraw/zinc/01/58/21/442015821.db2.gz PANZSKLMBLETLQ-UHFFFAOYSA-N 1 2 338.371 1.843 40 0 EDABLO O=C(C1CC=CC1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096070093 442017595 /nfs/dbraw/zinc/01/75/95/442017595.db2.gz MVUMGUFZWOBZHL-MOPGFXCFSA-N 1 2 341.455 1.892 40 0 EDABLO CCOCC(=O)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188037 442065883 /nfs/dbraw/zinc/06/58/83/442065883.db2.gz YDXFEMZBOXJEBZ-CQSZACIVSA-N 1 2 330.388 1.352 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2[nH+]ccn2C[C@H](Cn2cncn2)C1 ZINC000096188630 442066074 /nfs/dbraw/zinc/06/60/74/442066074.db2.gz PXLJZGGRXWZEOS-ZDUSSCGKSA-N 1 2 326.360 1.348 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC[C@]2(C1)COCCN(c1ccccn1)C2 ZINC000096229052 442096487 /nfs/dbraw/zinc/09/64/87/442096487.db2.gz QPBPDLDMCQELOL-LJQANCHMSA-N 1 2 341.459 1.934 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@]2(C1)COCCN(c1ccccn1)C2 ZINC000096229052 442096488 /nfs/dbraw/zinc/09/64/88/442096488.db2.gz QPBPDLDMCQELOL-LJQANCHMSA-N 1 2 341.459 1.934 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@@H]32)cn1 ZINC000096250315 442104935 /nfs/dbraw/zinc/10/49/35/442104935.db2.gz WGUDOSHJBBSDQT-HLLBOEOZSA-N 1 2 344.415 1.423 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@H]3[C@@H](CNC(=O)c4ccco4)CC[C@@H]32)cn1 ZINC000096250315 442104939 /nfs/dbraw/zinc/10/49/39/442104939.db2.gz WGUDOSHJBBSDQT-HLLBOEOZSA-N 1 2 344.415 1.423 40 0 EDABLO CCc1ccc(S(=O)(=O)N2Cc3c(C[NH+](C)C)nn(C)c3C2)cc1 ZINC000096259087 442106886 /nfs/dbraw/zinc/10/68/86/442106886.db2.gz QSBWOVDAMGWBHN-UHFFFAOYSA-N 1 2 348.472 1.749 40 0 EDABLO Cc1nc([C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)cc(=O)[nH]1 ZINC000257297900 443136599 /nfs/dbraw/zinc/13/65/99/443136599.db2.gz RJHGTCNSNNGDFS-KRWDZBQOSA-N 1 2 345.399 1.435 40 0 EDABLO Cc1nc([C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)cc(=O)[nH]1 ZINC000257297900 443136603 /nfs/dbraw/zinc/13/66/03/443136603.db2.gz RJHGTCNSNNGDFS-KRWDZBQOSA-N 1 2 345.399 1.435 40 0 EDABLO CCn1cc[nH+]c1CN1CC[C@]1(CCCc1cnccn1)C(=O)NC ZINC000257310771 443141343 /nfs/dbraw/zinc/14/13/43/443141343.db2.gz UGMSJIKRRQNSKF-GOSISDBHSA-N 1 2 342.447 1.406 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257311681 443142180 /nfs/dbraw/zinc/14/21/80/443142180.db2.gz UKPJAFZLCQCZDS-INIZCTEOSA-N 1 2 341.477 1.570 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@@H+](C)[C@H](c2ccc(OC)cc2)C1 ZINC000257311681 443142184 /nfs/dbraw/zinc/14/21/84/443142184.db2.gz UKPJAFZLCQCZDS-INIZCTEOSA-N 1 2 341.477 1.570 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cncs3)C2)nc[nH+]1 ZINC000257330662 443149988 /nfs/dbraw/zinc/14/99/88/443149988.db2.gz XPJGHKMWHVNZRO-MRXNPFEDSA-N 1 2 347.444 1.345 40 0 EDABLO COc1ccccc1[C@H]1C[N@H+](Cc2cnn(C)c2)CCN1C(C)=O ZINC000257338966 443153961 /nfs/dbraw/zinc/15/39/61/443153961.db2.gz YZQLZQRVWRWJGQ-QGZVFWFLSA-N 1 2 328.416 1.834 40 0 EDABLO COc1ccccc1[C@H]1C[N@@H+](Cc2cnn(C)c2)CCN1C(C)=O ZINC000257338966 443153964 /nfs/dbraw/zinc/15/39/64/443153964.db2.gz YZQLZQRVWRWJGQ-QGZVFWFLSA-N 1 2 328.416 1.834 40 0 EDABLO Cc1[nH+]c[nH]c1CSCCn1c(NN)nc2ccccc2c1=O ZINC000408712705 447678852 /nfs/dbraw/zinc/67/88/52/447678852.db2.gz JMJRQMYLKIWOSJ-UHFFFAOYSA-N 1 2 330.417 1.647 40 0 EDABLO O=C(c1ccnc(F)c1)N1CCCn2c(C[NH+]3CCCC3)nnc2C1 ZINC000585110550 448691246 /nfs/dbraw/zinc/69/12/46/448691246.db2.gz UGDCHSCFMJISFI-UHFFFAOYSA-N 1 2 344.394 1.454 40 0 EDABLO CCn1cc(C[N@@H+]2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585275363 448719594 /nfs/dbraw/zinc/71/95/94/448719594.db2.gz DBJBKUPUQVWSFG-SFHVURJKSA-N 1 2 333.407 1.848 40 0 EDABLO CCn1cc(C[N@H+]2CCO[C@@](CO)(Cc3ccccc3F)C2)cn1 ZINC000585275363 448719599 /nfs/dbraw/zinc/71/95/99/448719599.db2.gz DBJBKUPUQVWSFG-SFHVURJKSA-N 1 2 333.407 1.848 40 0 EDABLO COC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cccc2c1OCCO2 ZINC000585094703 448677346 /nfs/dbraw/zinc/67/73/46/448677346.db2.gz IOIXHJCMGYFQCC-GFCCVEGCSA-N 1 2 343.383 1.405 40 0 EDABLO Cn1c[nH+]c2c1C[C@@H](COCc1ccncc1)N(Cc1cn[nH]c1)C2 ZINC000585094959 448677739 /nfs/dbraw/zinc/67/77/39/448677739.db2.gz XBQUILVJMKJEFY-INIZCTEOSA-N 1 2 338.415 1.682 40 0 EDABLO CCOCCc1c[nH+]c2n1CCN(C(=O)c1cnc(C)cn1)[C@@H]2C ZINC000585098656 448684228 /nfs/dbraw/zinc/68/42/28/448684228.db2.gz WHXLMNGXQNXOQM-CYBMUJFWSA-N 1 2 329.404 1.778 40 0 EDABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC000072361802 216168502 /nfs/dbraw/zinc/16/85/02/216168502.db2.gz QYALZKLALQTMQS-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC000072361802 216168505 /nfs/dbraw/zinc/16/85/05/216168505.db2.gz QYALZKLALQTMQS-CYBMUJFWSA-N 1 2 342.399 1.942 40 0 EDABLO CNC(=O)CCc1cc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000072367060 216172988 /nfs/dbraw/zinc/17/29/88/216172988.db2.gz SEQVOYSVYBQMDP-MRXNPFEDSA-N 1 2 347.463 1.079 40 0 EDABLO CNC(=O)CCc1cc([C@H]2CCCC[N@H+]2CC(=O)N(C)C)nc(C)n1 ZINC000072367060 216172991 /nfs/dbraw/zinc/17/29/91/216172991.db2.gz SEQVOYSVYBQMDP-MRXNPFEDSA-N 1 2 347.463 1.079 40 0 EDABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+]3CC(N)=O)n2)n1 ZINC000072383065 216184180 /nfs/dbraw/zinc/18/41/80/216184180.db2.gz BYZLCLWKOYPQSQ-CQSZACIVSA-N 1 2 326.404 1.854 40 0 EDABLO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@H+]3CC(N)=O)n2)n1 ZINC000072383065 216184181 /nfs/dbraw/zinc/18/41/81/216184181.db2.gz BYZLCLWKOYPQSQ-CQSZACIVSA-N 1 2 326.404 1.854 40 0 EDABLO COc1ccc(C[N@@H+]2CCO[C@H](c3ccc(C(N)=O)cn3)C2)cc1 ZINC000072388113 216188611 /nfs/dbraw/zinc/18/86/11/216188611.db2.gz WCRREGDJESPBNJ-KRWDZBQOSA-N 1 2 327.384 1.763 40 0 EDABLO COc1ccc(C[N@H+]2CCO[C@H](c3ccc(C(N)=O)cn3)C2)cc1 ZINC000072388113 216188614 /nfs/dbraw/zinc/18/86/14/216188614.db2.gz WCRREGDJESPBNJ-KRWDZBQOSA-N 1 2 327.384 1.763 40 0 EDABLO Cc1cc2nc(C3CC[NH+](Cc4nccn4C)CC3)cc(=O)n2[nH]1 ZINC000257201506 244121542 /nfs/dbraw/zinc/12/15/42/244121542.db2.gz AHXWEOAHXVPTBF-UHFFFAOYSA-N 1 2 326.404 1.856 40 0 EDABLO Cc1cc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)ccn1 ZINC000257216250 244165415 /nfs/dbraw/zinc/16/54/15/244165415.db2.gz CTRYWXYIUQSAAT-SFHVURJKSA-N 1 2 340.427 1.817 40 0 EDABLO Cc1cc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)ccn1 ZINC000257216250 244165423 /nfs/dbraw/zinc/16/54/23/244165423.db2.gz CTRYWXYIUQSAAT-SFHVURJKSA-N 1 2 340.427 1.817 40 0 EDABLO CNc1ncccc1C[N@@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257238409 244236533 /nfs/dbraw/zinc/23/65/33/244236533.db2.gz HKWPWDLNFDHMDM-NSHDSACASA-N 1 2 335.433 1.239 40 0 EDABLO CNc1ncccc1C[N@H+]1CC[C@H](c2n[nH]cc2S(C)(=O)=O)C1 ZINC000257238409 244236536 /nfs/dbraw/zinc/23/65/36/244236536.db2.gz HKWPWDLNFDHMDM-NSHDSACASA-N 1 2 335.433 1.239 40 0 EDABLO CNc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1C[N@H+](C)CC2 ZINC000019711513 212056940 /nfs/dbraw/zinc/05/69/40/212056940.db2.gz HHFIMGIVJPEHIA-ZDUSSCGKSA-N 1 2 331.464 1.868 40 0 EDABLO CNc1nc([C@H]2CCCN(C(=O)C(C)C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711513 212056943 /nfs/dbraw/zinc/05/69/43/212056943.db2.gz HHFIMGIVJPEHIA-ZDUSSCGKSA-N 1 2 331.464 1.868 40 0 EDABLO COc1ccc(-c2ccc(NCC[NH+]3CCOCC3)nn2)cc1OC ZINC000012481158 211391731 /nfs/dbraw/zinc/39/17/31/211391731.db2.gz AFGSVFLIZWYSLV-UHFFFAOYSA-N 1 2 344.415 1.905 40 0 EDABLO COc1ccc(NC(=O)C[NH+]2CCC(O)(c3nccn3C)CC2)cc1 ZINC000012221770 211324184 /nfs/dbraw/zinc/32/41/84/211324184.db2.gz AOAXKKLEXIYSDE-UHFFFAOYSA-N 1 2 344.415 1.351 40 0 EDABLO Cc1ccc(N[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)nn1 ZINC000257261036 292161889 /nfs/dbraw/zinc/16/18/89/292161889.db2.gz LFMACYQIKQKSRP-QLFBSQMISA-N 1 2 326.404 1.331 40 0 EDABLO C[C@@H]1C[C@H]1C(=O)NCCc1cc(N2CCOCC2)nc(NC2CC2)[nH+]1 ZINC000019495877 441257271 /nfs/dbraw/zinc/25/72/71/441257271.db2.gz QBSNBZHUYZBAHB-IUODEOHRSA-N 1 2 345.447 1.202 40 0 EDABLO O=C(CN1C(=O)SC(=Cc2ccco2)C1=O)NCCc1c[nH+]c[nH]1 ZINC000033527052 441596214 /nfs/dbraw/zinc/59/62/14/441596214.db2.gz FYZDQGZPGUYQQG-SDQBBNPISA-N 1 2 346.368 1.398 40 0 EDABLO O=C(CN1C(=O)SC(=Cc2ccco2)C1=O)NCCc1c[nH]c[nH+]1 ZINC000033527052 441596217 /nfs/dbraw/zinc/59/62/17/441596217.db2.gz FYZDQGZPGUYQQG-SDQBBNPISA-N 1 2 346.368 1.398 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1 ZINC000096064745 442013160 /nfs/dbraw/zinc/01/31/60/442013160.db2.gz SGQBQMWZHROLSE-KKUMJFAQSA-N 1 2 337.445 1.042 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@@H]3O[C@H](C(=O)N4CCOCC4)C[C@@H]32)cs1 ZINC000096064745 442013167 /nfs/dbraw/zinc/01/31/67/442013167.db2.gz SGQBQMWZHROLSE-KKUMJFAQSA-N 1 2 337.445 1.042 40 0 EDABLO Cc1cccc(C[N@@H+]2CCc3n[nH]c(C(=O)N4CCOCC4)c3C2)n1 ZINC000096066603 442014857 /nfs/dbraw/zinc/01/48/57/442014857.db2.gz GXAHLKRUKAVKAD-UHFFFAOYSA-N 1 2 341.415 1.144 40 0 EDABLO Cc1cccc(C[N@H+]2CCc3n[nH]c(C(=O)N4CCOCC4)c3C2)n1 ZINC000096066603 442014859 /nfs/dbraw/zinc/01/48/59/442014859.db2.gz GXAHLKRUKAVKAD-UHFFFAOYSA-N 1 2 341.415 1.144 40 0 EDABLO c1snnc1C[NH+]1CCC2(C[C@@H](Nc3cnccn3)CO2)CC1 ZINC000096074294 442019739 /nfs/dbraw/zinc/01/97/39/442019739.db2.gz HXWJCUOYVLLBBO-GFCCVEGCSA-N 1 2 332.433 1.564 40 0 EDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@H+](Cc1ccoc1)CCO2 ZINC000096158824 442048673 /nfs/dbraw/zinc/04/86/73/442048673.db2.gz AJTVDVVIRUPWFE-UHFFFAOYSA-N 1 2 342.399 1.577 40 0 EDABLO O=C(c1ccnnc1)N1CCC2(CC1)C[N@@H+](Cc1ccoc1)CCO2 ZINC000096158824 442048678 /nfs/dbraw/zinc/04/86/78/442048678.db2.gz AJTVDVVIRUPWFE-UHFFFAOYSA-N 1 2 342.399 1.577 40 0 EDABLO c1cnn(C[C@@H]2CC[C@]3(COCC[N@H+](Cc4nccs4)C3)O2)c1 ZINC000096160329 442050617 /nfs/dbraw/zinc/05/06/17/442050617.db2.gz OLCIZIKGOPPHPB-HOCLYGCPSA-N 1 2 334.445 1.790 40 0 EDABLO c1cnn(C[C@@H]2CC[C@]3(COCC[N@@H+](Cc4nccs4)C3)O2)c1 ZINC000096160329 442050623 /nfs/dbraw/zinc/05/06/23/442050623.db2.gz OLCIZIKGOPPHPB-HOCLYGCPSA-N 1 2 334.445 1.790 40 0 EDABLO O=C(NC1CC1)N1Cc2[nH+]ccn2C[C@H](COCc2ccccn2)C1 ZINC000096188172 442065961 /nfs/dbraw/zinc/06/59/61/442065961.db2.gz VVZRSPOKSHGNQO-AWEZNQCLSA-N 1 2 341.415 1.799 40 0 EDABLO COCCNC(=O)[C@H]1C[N@H+](Cc2sccc2C)Cc2ncn(C)c21 ZINC000248000619 442876570 /nfs/dbraw/zinc/87/65/70/442876570.db2.gz ALYXWFNXZZPQGE-ZDUSSCGKSA-N 1 2 348.472 1.652 40 0 EDABLO COCCNC(=O)[C@H]1C[N@@H+](Cc2sccc2C)Cc2ncn(C)c21 ZINC000248000619 442876574 /nfs/dbraw/zinc/87/65/74/442876574.db2.gz ALYXWFNXZZPQGE-ZDUSSCGKSA-N 1 2 348.472 1.652 40 0 EDABLO CCOC[C@@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248159696 442884666 /nfs/dbraw/zinc/88/46/66/442884666.db2.gz XAMOIPMVVSXSPK-CQSZACIVSA-N 1 2 339.461 1.203 40 0 EDABLO CCOC[C@@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248159696 442884670 /nfs/dbraw/zinc/88/46/70/442884670.db2.gz XAMOIPMVVSXSPK-CQSZACIVSA-N 1 2 339.461 1.203 40 0 EDABLO Cc1cc(C(=O)N(C)C[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257305364 443139965 /nfs/dbraw/zinc/13/99/65/443139965.db2.gz SPQSJQOAPSZNJZ-KRWDZBQOSA-N 1 2 330.388 1.482 40 0 EDABLO CC(=O)NC(=Cc1c[nH]c(C)[nH+]1)[C@@H]1CCCCN1S(C)(=O)=O ZINC000257244103 443126137 /nfs/dbraw/zinc/12/61/37/443126137.db2.gz IJVRSZFQTYEMKQ-MQJVFOOVSA-N 1 2 326.422 1.009 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@H](C(N)=O)C1 ZINC000257329202 443150462 /nfs/dbraw/zinc/15/04/62/443150462.db2.gz XIXSGMJLWAKVFD-LBPRGKRZSA-N 1 2 327.787 1.245 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@H](C(N)=O)C1 ZINC000257329202 443150464 /nfs/dbraw/zinc/15/04/64/443150464.db2.gz XIXSGMJLWAKVFD-LBPRGKRZSA-N 1 2 327.787 1.245 40 0 EDABLO CO[C@H]1C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@]12CCCO2 ZINC000257341168 443155445 /nfs/dbraw/zinc/15/54/45/443155445.db2.gz ZJCIPBOIAQVMHM-HOTGVXAUSA-N 1 2 325.430 1.470 40 0 EDABLO CO[C@H]1C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C[C@@]12CCCO2 ZINC000257341168 443155450 /nfs/dbraw/zinc/15/54/50/443155450.db2.gz ZJCIPBOIAQVMHM-HOTGVXAUSA-N 1 2 325.430 1.470 40 0 EDABLO Cn1cc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)c2ccco2)cn1 ZINC000585102645 448686151 /nfs/dbraw/zinc/68/61/51/448686151.db2.gz DKMMQFKZSFXVLP-OAHLLOKOSA-N 1 2 344.415 1.424 40 0 EDABLO CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275304 448719310 /nfs/dbraw/zinc/71/93/10/448719310.db2.gz AAECHISMIPFCDK-GOSISDBHSA-N 1 2 329.400 1.957 40 0 EDABLO O=C(NCc1cccs1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096146 448679884 /nfs/dbraw/zinc/67/98/84/448679884.db2.gz VCFPTMVXICUKPW-HNNXBMFYSA-N 1 2 344.440 1.944 40 0 EDABLO O=C(NCc1ccco1)[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096125 448680186 /nfs/dbraw/zinc/68/01/86/448680186.db2.gz SPDXMLASPLZUAO-OAHLLOKOSA-N 1 2 328.372 1.476 40 0 EDABLO Cc1c(C[N@@H+]2CCn3c(COCC4CC4)nnc3[C@H]2C)cnn1C ZINC000585098323 448683769 /nfs/dbraw/zinc/68/37/69/448683769.db2.gz WFWMAXDZTFKXSH-CYBMUJFWSA-N 1 2 330.436 1.823 40 0 EDABLO Cc1c(C[N@H+]2CCn3c(COCC4CC4)nnc3[C@H]2C)cnn1C ZINC000585098323 448683774 /nfs/dbraw/zinc/68/37/74/448683774.db2.gz WFWMAXDZTFKXSH-CYBMUJFWSA-N 1 2 330.436 1.823 40 0 EDABLO CCOC(=O)c1cnc(NC(=S)NCCCn2cc[nH+]c2)nc1C ZINC000225198166 491019559 /nfs/dbraw/zinc/01/95/59/491019559.db2.gz DWXOWKRCLOJWGI-UHFFFAOYSA-N 1 2 348.432 1.535 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cc(=O)[nH]c(=O)[nH]2)cc[nH+]1 ZINC000257271844 536145488 /nfs/dbraw/zinc/14/54/88/536145488.db2.gz MZZQVIFSFYHBAN-LBPRGKRZSA-N 1 2 329.360 1.326 40 0 EDABLO Cc1cc(NCC[NH+]2CCOCC2)n2nc(-c3nccn3C)cc2n1 ZINC000072338488 216157650 /nfs/dbraw/zinc/15/76/50/216157650.db2.gz NHTXMURDKHZRJQ-UHFFFAOYSA-N 1 2 341.419 1.182 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000072360942 216167674 /nfs/dbraw/zinc/16/76/74/216167674.db2.gz YEIQSPZNJFTKIN-CYBMUJFWSA-N 1 2 341.419 1.292 40 0 EDABLO Cc1cc(C)nc(Nc2cncc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000072360942 216167678 /nfs/dbraw/zinc/16/76/78/216167678.db2.gz YEIQSPZNJFTKIN-CYBMUJFWSA-N 1 2 341.419 1.292 40 0 EDABLO Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H]1c1cc[nH+]c(N(C)C)c1 ZINC000257227348 244204336 /nfs/dbraw/zinc/20/43/36/244204336.db2.gz FOWMBOYFRMFSGB-CQSZACIVSA-N 1 2 349.460 1.715 40 0 EDABLO CNc1cc([C@H]2CCCN2C(=O)CN2C(=O)NC(C)(C)C2=O)cc[nH+]1 ZINC000257264051 244356519 /nfs/dbraw/zinc/35/65/19/244356519.db2.gz LSSMKYKDRXSVAI-GFCCVEGCSA-N 1 2 345.403 1.117 40 0 EDABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000004884560 210311751 /nfs/dbraw/zinc/31/17/51/210311751.db2.gz ZMQYZPMMYXYTHK-MMMWYMCRSA-N 1 2 344.411 1.582 40 0 EDABLO OCCCNc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329056021 257902204 /nfs/dbraw/zinc/90/22/04/257902204.db2.gz VQICPWWSKBJJJP-UHFFFAOYSA-N 1 2 336.399 1.184 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1cnccn1)C2 ZINC000096254044 275967594 /nfs/dbraw/zinc/96/75/94/275967594.db2.gz VBOKHMUGCWHPTQ-UHFFFAOYSA-N 1 2 341.419 1.351 40 0 EDABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCO)N(Cc1ccccc1)CC2 ZINC000096037528 278139045 /nfs/dbraw/zinc/13/90/45/278139045.db2.gz NDSPJPSFWGVRKG-GOSISDBHSA-N 1 2 342.443 1.672 40 0 EDABLO Cc1cc(=O)n2c(n1)NC(NCc1ccco1)=[NH+][C@@H]2c1cccnc1 ZINC000014607554 441185951 /nfs/dbraw/zinc/18/59/51/441185951.db2.gz YRDYBAYRZAXSPK-HNNXBMFYSA-N 1 2 336.355 1.524 40 0 EDABLO Cc1nc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)cs1 ZINC000096041161 441987705 /nfs/dbraw/zinc/98/77/05/441987705.db2.gz BAOJVHDDPMOYAC-HRCADAONSA-N 1 2 335.473 1.957 40 0 EDABLO Cc1nc(C[N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)NC3CCC3)C2)cs1 ZINC000096041161 441987710 /nfs/dbraw/zinc/98/77/10/441987710.db2.gz BAOJVHDDPMOYAC-HRCADAONSA-N 1 2 335.473 1.957 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)no1 ZINC000096041047 441988576 /nfs/dbraw/zinc/98/85/76/441988576.db2.gz VHXXGJZLXKRWSE-JQFCIGGWSA-N 1 2 342.399 1.996 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3C[C@@H](C(=O)Nc4cccnc4)O[C@H]3C2)no1 ZINC000096041047 441988583 /nfs/dbraw/zinc/98/85/83/441988583.db2.gz VHXXGJZLXKRWSE-JQFCIGGWSA-N 1 2 342.399 1.996 40 0 EDABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@@H+]1Cc1cccs1 ZINC000096061100 442008305 /nfs/dbraw/zinc/00/83/05/442008305.db2.gz NVLVJZLZFBSGCZ-CYBMUJFWSA-N 1 2 344.444 1.771 40 0 EDABLO COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2C[N@H+]1Cc1cccs1 ZINC000096061100 442008312 /nfs/dbraw/zinc/00/83/12/442008312.db2.gz NVLVJZLZFBSGCZ-CYBMUJFWSA-N 1 2 344.444 1.771 40 0 EDABLO c1cnc(N2CCC[C@]3(C2)C[N@H+](Cc2cccnc2)CCO3)nc1 ZINC000096074825 442020434 /nfs/dbraw/zinc/02/04/34/442020434.db2.gz IUELBAITMGHMMK-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO c1cnc(N2CCC[C@]3(C2)C[N@@H+](Cc2cccnc2)CCO3)nc1 ZINC000096074825 442020438 /nfs/dbraw/zinc/02/04/38/442020438.db2.gz IUELBAITMGHMMK-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3n[nH]c(C)n3)C2)n1 ZINC000096220014 442092007 /nfs/dbraw/zinc/09/20/07/442092007.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 1 2 333.461 1.958 40 0 EDABLO Cc1csc(C[N@H+]2CC[C@@H]3[C@@H](CO[C@H]3Cc3n[nH]c(C)n3)C2)n1 ZINC000096220014 442092010 /nfs/dbraw/zinc/09/20/10/442092010.db2.gz BZNMKQHJFRURCD-MCIONIFRSA-N 1 2 333.461 1.958 40 0 EDABLO O=C([C@@H]1CCCO1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158853 442048313 /nfs/dbraw/zinc/04/83/13/442048313.db2.gz SZLNZDDIVBHCQA-KRWDZBQOSA-N 1 2 345.443 1.454 40 0 EDABLO O=C([C@@H]1CCCO1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158853 442048317 /nfs/dbraw/zinc/04/83/17/442048317.db2.gz SZLNZDDIVBHCQA-KRWDZBQOSA-N 1 2 345.443 1.454 40 0 EDABLO CCc1ccc(C[N@@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 ZINC000096185870 442061673 /nfs/dbraw/zinc/06/16/73/442061673.db2.gz GUGZQDHANDCQLQ-KKUMJFAQSA-N 1 2 328.434 1.123 40 0 EDABLO CCc1ccc(C[N@H+]2C[C@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 ZINC000096185870 442061679 /nfs/dbraw/zinc/06/16/79/442061679.db2.gz GUGZQDHANDCQLQ-KKUMJFAQSA-N 1 2 328.434 1.123 40 0 EDABLO COCCC(=O)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188028 442065787 /nfs/dbraw/zinc/06/57/87/442065787.db2.gz CTQRLGCQWOWNEX-AWEZNQCLSA-N 1 2 330.388 1.352 40 0 EDABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)no1 ZINC000247928424 442873209 /nfs/dbraw/zinc/87/32/09/442873209.db2.gz PYWJOIWWRHGCOO-OAHLLOKOSA-N 1 2 328.416 1.943 40 0 EDABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](C(=O)NCC3CC3)C2)no1 ZINC000247928424 442873213 /nfs/dbraw/zinc/87/32/13/442873213.db2.gz PYWJOIWWRHGCOO-OAHLLOKOSA-N 1 2 328.416 1.943 40 0 EDABLO COCC(=O)NC[C@@H]1CN(Cc2ccccc2OC)Cc2c[nH+]cn21 ZINC000248120199 442882580 /nfs/dbraw/zinc/88/25/80/442882580.db2.gz DJFBVBWXQHDJMI-MRXNPFEDSA-N 1 2 344.415 1.211 40 0 EDABLO O=C(c1ccc2c(c1)OCO2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257294286 443134785 /nfs/dbraw/zinc/13/47/85/443134785.db2.gz QTKIBJWNIZHRQB-KBPBESRZSA-N 1 2 329.356 1.450 40 0 EDABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)CNC(C)=O ZINC000257298359 443136512 /nfs/dbraw/zinc/13/65/12/443136512.db2.gz RLIZTQYAZQPXPL-AWEZNQCLSA-N 1 2 328.372 1.111 40 0 EDABLO CCCn1cc(C[N@@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257283847 443130088 /nfs/dbraw/zinc/13/00/88/443130088.db2.gz PADCJVCBQJFYBJ-INIZCTEOSA-N 1 2 331.420 1.622 40 0 EDABLO CCCn1cc(C[N@H+]2CCO[C@@H](CCc3cc(=O)[nH]cn3)C2)cn1 ZINC000257283847 443130091 /nfs/dbraw/zinc/13/00/91/443130091.db2.gz PADCJVCBQJFYBJ-INIZCTEOSA-N 1 2 331.420 1.622 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257285115 443130572 /nfs/dbraw/zinc/13/05/72/443130572.db2.gz PFSQYLWPQLFELH-HNNXBMFYSA-N 1 2 325.416 1.759 40 0 EDABLO Cn1ccnc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257285115 443130575 /nfs/dbraw/zinc/13/05/75/443130575.db2.gz PFSQYLWPQLFELH-HNNXBMFYSA-N 1 2 325.416 1.759 40 0 EDABLO COCC(=O)N1CCC(Cc2nccnc2-c2c[nH+]c(C)n2C)CC1 ZINC000257343722 443155637 /nfs/dbraw/zinc/15/56/37/443155637.db2.gz ZUDLGVFBYDTZLO-UHFFFAOYSA-N 1 2 343.431 1.613 40 0 EDABLO C[C@H](CO)Nc1nc(NCCc2ccccc2)cc(-c2ccncc2)[nH+]1 ZINC000329050111 444458167 /nfs/dbraw/zinc/45/81/67/444458167.db2.gz UTCRSTFSWIGADY-OAHLLOKOSA-N 1 2 349.438 1.830 40 0 EDABLO OCCCNc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329014748 444445216 /nfs/dbraw/zinc/44/52/16/444445216.db2.gz MXJYLDKAPVXFNS-UHFFFAOYSA-N 1 2 335.411 1.789 40 0 EDABLO Cn1cc(C[N@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cn1 ZINC000585110829 448691190 /nfs/dbraw/zinc/69/11/90/448691190.db2.gz LPFZHNBTOALEGP-HNNXBMFYSA-N 1 2 342.447 1.169 40 0 EDABLO Cn1cc(C[N@@H+]2Cc3ncn(C)c3[C@@H](C(=O)NCC3CCC3)C2)cn1 ZINC000585110829 448691195 /nfs/dbraw/zinc/69/11/95/448691195.db2.gz LPFZHNBTOALEGP-HNNXBMFYSA-N 1 2 342.447 1.169 40 0 EDABLO CO[C@]1(COc2cccc(C)c2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275362 448718792 /nfs/dbraw/zinc/71/87/92/448718792.db2.gz AVYDIUDABUZRQP-GOSISDBHSA-N 1 2 329.400 1.957 40 0 EDABLO c1cc2n(n1)CC[C@H](CN1CCOCC1)[N@H+](CC1CCOCC1)C2 ZINC000585097179 448681585 /nfs/dbraw/zinc/68/15/85/448681585.db2.gz IGFBVMQKTOPYPW-QGZVFWFLSA-N 1 2 334.464 1.216 40 0 EDABLO c1cc2n(n1)CC[C@H](CN1CCOCC1)[N@@H+](CC1CCOCC1)C2 ZINC000585097179 448681589 /nfs/dbraw/zinc/68/15/89/448681589.db2.gz IGFBVMQKTOPYPW-QGZVFWFLSA-N 1 2 334.464 1.216 40 0 EDABLO CC(=O)N1CCC[C@H]1c1cncc(CNC(=O)CCn2cc[nH+]c2)n1 ZINC000257270204 534776334 /nfs/dbraw/zinc/77/63/34/534776334.db2.gz MTDXBEZXYYXJCU-INIZCTEOSA-N 1 2 342.403 1.063 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257212557 535621310 /nfs/dbraw/zinc/62/13/10/535621310.db2.gz CDYDGFFCVNEGAB-OAHLLOKOSA-N 1 2 341.477 1.570 40 0 EDABLO CCN(CC)S(=O)(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2OC)C1 ZINC000257212557 535621314 /nfs/dbraw/zinc/62/13/14/535621314.db2.gz CDYDGFFCVNEGAB-OAHLLOKOSA-N 1 2 341.477 1.570 40 0 EDABLO O=C(CCN1C(=O)c2ccccc2C1=O)NCCCn1cc[nH+]c1 ZINC000004094692 210118476 /nfs/dbraw/zinc/11/84/76/210118476.db2.gz ULPVGUFCPLYDIK-UHFFFAOYSA-N 1 2 326.356 1.076 40 0 EDABLO O=C1CO[C@H]2C[N@@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897187 215245285 /nfs/dbraw/zinc/24/52/85/215245285.db2.gz LVWSCLJTXCSYAY-MSOLQXFVSA-N 1 2 341.386 1.833 40 0 biogenic,in-vitro EDABLO O=C1CO[C@H]2C[N@H+](Cc3ccccn3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897187 215245288 /nfs/dbraw/zinc/24/52/88/215245288.db2.gz LVWSCLJTXCSYAY-MSOLQXFVSA-N 1 2 341.386 1.833 40 0 biogenic,in-vitro EDABLO O=C1[C@H]2Cc3ccccc3CN2C(=S)N1CCC[NH+]1CCOCC1 ZINC000036611066 213100527 /nfs/dbraw/zinc/10/05/27/213100527.db2.gz LPRNXZANTFQQPP-MRXNPFEDSA-N 1 2 345.468 1.263 40 0 EDABLO CC[NH+]1CCN(C(=O)Cn2ccc(=O)c3cc(Cl)ccc32)CC1 ZINC000225724921 242005784 /nfs/dbraw/zinc/00/57/84/242005784.db2.gz CZXYVUYROASTNC-UHFFFAOYSA-N 1 2 333.819 1.819 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257202636 244124634 /nfs/dbraw/zinc/12/46/34/244124634.db2.gz AMRURNJMPONYKP-CQSZACIVSA-N 1 2 326.404 1.154 40 0 EDABLO Cn1ccnc1C[N@H+]1CCOC[C@H](Cc2ccc3nccn3n2)C1 ZINC000257202636 244124638 /nfs/dbraw/zinc/12/46/38/244124638.db2.gz AMRURNJMPONYKP-CQSZACIVSA-N 1 2 326.404 1.154 40 0 EDABLO Cn1c[nH+]cc1CN1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257213550 244160946 /nfs/dbraw/zinc/16/09/46/244160946.db2.gz CIBDPEDZFTVLJC-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cn1cncc1C[N@@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257213550 244160950 /nfs/dbraw/zinc/16/09/50/244160950.db2.gz CIBDPEDZFTVLJC-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cn1cncc1C[N@H+]1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257213550 244160957 /nfs/dbraw/zinc/16/09/57/244160957.db2.gz CIBDPEDZFTVLJC-IAGOWNOFSA-N 1 2 326.400 1.032 40 0 EDABLO Cc1ncccc1O[C@H]1CCN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1O ZINC000257252468 244273311 /nfs/dbraw/zinc/27/33/11/244273311.db2.gz JUXHWWZMIPXZEL-RDJZCZTQSA-N 1 2 344.415 1.408 40 0 EDABLO Cc1nc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)co1 ZINC000257275321 244390535 /nfs/dbraw/zinc/39/05/35/244390535.db2.gz NOWBVZNIQXRGPC-QGZVFWFLSA-N 1 2 330.388 1.482 40 0 EDABLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(Oc3cnccn3)CC2)on1 ZINC000019656786 212053318 /nfs/dbraw/zinc/05/33/18/212053318.db2.gz JVQLCFWQXWHYLQ-LBPRGKRZSA-N 1 2 331.376 1.643 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188451 218656898 /nfs/dbraw/zinc/65/68/98/218656898.db2.gz FJDHKYBFJNQUPF-AWEZNQCLSA-N 1 2 342.399 1.679 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)COc2ccccc2C)C1 ZINC000096208277 218684269 /nfs/dbraw/zinc/68/42/69/218684269.db2.gz DQKCKAUUCSMVFW-OAHLLOKOSA-N 1 2 329.400 1.875 40 0 EDABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CC2)C1 ZINC000096044916 302963574 /nfs/dbraw/zinc/96/35/74/302963574.db2.gz VJWOXKVYNHQFLK-AWEZNQCLSA-N 1 2 328.416 1.925 40 0 EDABLO COc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000000542413 440829781 /nfs/dbraw/zinc/82/97/81/440829781.db2.gz QHDIAWBQJBQLQA-ZDUSSCGKSA-N 1 2 330.388 1.364 40 0 EDABLO Cc1csc2nc3n(c(=O)c12)CCN(Cc1[nH]c[nH+]c1C)CC3 ZINC000012088368 441126925 /nfs/dbraw/zinc/12/69/25/441126925.db2.gz LNDLSEBNEWFASF-UHFFFAOYSA-N 1 2 329.429 1.856 40 0 EDABLO COCCN1C[NH+]=C2NC3(CCCC3)n3c4ccccc4nc3N2C1 ZINC000020676375 441265611 /nfs/dbraw/zinc/26/56/11/441265611.db2.gz MUGGCFJDLUQEDM-UHFFFAOYSA-N 1 2 340.431 1.906 40 0 EDABLO O=C(N1CCOCC1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000107193392 441402896 /nfs/dbraw/zinc/40/28/96/441402896.db2.gz VTJYWLWIUSFLOB-UHFFFAOYSA-N 1 2 346.431 1.205 40 0 EDABLO O=C(N[C@@H]1C[N@@H+]2CCOC[C@@H]2[C@@H]1OCc1ccccn1)c1ccoc1 ZINC000096068915 442016922 /nfs/dbraw/zinc/01/69/22/442016922.db2.gz VPHQQXGRENCZRL-BRWVUGGUSA-N 1 2 343.383 1.073 40 0 EDABLO O=C(N[C@@H]1C[N@H+]2CCOC[C@@H]2[C@@H]1OCc1ccccn1)c1ccoc1 ZINC000096068915 442016932 /nfs/dbraw/zinc/01/69/32/442016932.db2.gz VPHQQXGRENCZRL-BRWVUGGUSA-N 1 2 343.383 1.073 40 0 EDABLO Cn1ccnc1CN1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000096070033 442017355 /nfs/dbraw/zinc/01/73/55/442017355.db2.gz JDFDNWHZBYRTOR-MSOLQXFVSA-N 1 2 341.459 1.333 40 0 EDABLO COCCNC(=O)[C@H]1c2c([nH+]cn2C)CCN1Cc1ccccc1 ZINC000096147164 442044844 /nfs/dbraw/zinc/04/48/44/442044844.db2.gz OBRRHHCQDCIGBL-QGZVFWFLSA-N 1 2 328.416 1.282 40 0 EDABLO O=C([C@@H]1CCOC1)N1CCc2ncc(CNc3cccc[nH+]3)n2CC1 ZINC000096197127 442070738 /nfs/dbraw/zinc/07/07/38/442070738.db2.gz BPISCZMWZPMDAS-CQSZACIVSA-N 1 2 341.415 1.311 40 0 EDABLO O=C(NCC1CCOCC1)[C@@H]1CN(Cc2ccoc2)Cc2c[nH+]cn21 ZINC000247500287 442857972 /nfs/dbraw/zinc/85/79/72/442857972.db2.gz PRAUAPBAZHGPKA-KRWDZBQOSA-N 1 2 344.415 1.576 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2c[nH+]cn21 ZINC000247964779 442875550 /nfs/dbraw/zinc/87/55/50/442875550.db2.gz RXBWGMLCFMIVRJ-CYBMUJFWSA-N 1 2 348.790 1.488 40 0 EDABLO Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12 ZINC000248090758 442881632 /nfs/dbraw/zinc/88/16/32/442881632.db2.gz CGSPOMXKWIRSDT-UMVBOHGHSA-N 1 2 346.456 1.358 40 0 EDABLO Cn1cccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12 ZINC000248090758 442881636 /nfs/dbraw/zinc/88/16/36/442881636.db2.gz CGSPOMXKWIRSDT-UMVBOHGHSA-N 1 2 346.456 1.358 40 0 EDABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3c[nH]c(=O)[nH]c3=O)C2)cc[nH+]1 ZINC000257343190 443155885 /nfs/dbraw/zinc/15/58/85/443155885.db2.gz ZRVMMSZYUQUGAQ-LBPRGKRZSA-N 1 2 343.387 1.369 40 0 EDABLO Cn1ccc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccncc5)n4C[C@@H]3C2)n1 ZINC000306132066 444286235 /nfs/dbraw/zinc/28/62/35/444286235.db2.gz KWZFIJYEYYJPBB-KBPBESRZSA-N 1 2 334.383 1.548 40 0 EDABLO CN1CC[NH+](CCNc2cc(Cl)nc(-c3ccncc3)n2)CC1 ZINC000329046583 444456946 /nfs/dbraw/zinc/45/69/46/444456946.db2.gz UCEJABFRCUWVJG-UHFFFAOYSA-N 1 2 332.839 1.273 40 0 EDABLO OCCNc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329056027 444460338 /nfs/dbraw/zinc/46/03/38/444460338.db2.gz VQJCQUUINZLZOZ-UHFFFAOYSA-N 1 2 335.411 1.441 40 0 EDABLO OCCCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000328967949 444427855 /nfs/dbraw/zinc/42/78/55/444427855.db2.gz CWNWMWUQDVVQDL-OAHLLOKOSA-N 1 2 328.416 1.373 40 0 EDABLO NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc([NH3+])cc2C(=O)[O-])CC1 ZINC000408712669 447679166 /nfs/dbraw/zinc/67/91/66/447679166.db2.gz GBEBRRQJPKJTJC-UHFFFAOYSA-N 1 2 346.431 1.277 40 0 EDABLO C[C@@H]1C[C@H]1C(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2ccco2)C1 ZINC000585096034 448678671 /nfs/dbraw/zinc/67/86/71/448678671.db2.gz NPHMIGNOBJKGBF-KCPJHIHWSA-N 1 2 328.372 1.332 40 0 EDABLO O=C(CC1CC1)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccnc2)C1 ZINC000585096219 448680227 /nfs/dbraw/zinc/68/02/27/448680227.db2.gz ZIQBPLYFXDQOOR-INIZCTEOSA-N 1 2 339.399 1.278 40 0 EDABLO Cc1noc(C)c1CN1Cc2ccnn2CC[C@@H]1C[NH+]1CCOCC1 ZINC000585096824 448680823 /nfs/dbraw/zinc/68/08/23/448680823.db2.gz DBOPVPDFYNCSOE-MRXNPFEDSA-N 1 2 345.447 1.595 40 0 EDABLO Cc1noc(C)c1C[N@@H+]1Cc2ccnn2CC[C@@H]1CN1CCOCC1 ZINC000585096824 448680827 /nfs/dbraw/zinc/68/08/27/448680827.db2.gz DBOPVPDFYNCSOE-MRXNPFEDSA-N 1 2 345.447 1.595 40 0 EDABLO Cc1noc(C)c1C[N@H+]1Cc2ccnn2CC[C@@H]1CN1CCOCC1 ZINC000585096824 448680829 /nfs/dbraw/zinc/68/08/29/448680829.db2.gz DBOPVPDFYNCSOE-MRXNPFEDSA-N 1 2 345.447 1.595 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](Cc2ccccc2F)[C@H](O)C1 ZINC000585278403 448727181 /nfs/dbraw/zinc/72/71/81/448727181.db2.gz DJMAREPUFRICSR-NVXWUHKLSA-N 1 2 331.391 1.864 40 0 EDABLO O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585285896 448732893 /nfs/dbraw/zinc/73/28/93/448732893.db2.gz TWNQYIFCTUVDDV-QGPMSJSTSA-N 1 2 329.400 1.608 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cn(C)nc3C)CC[N@@H+]2C)cc1 ZINC000257262838 536944397 /nfs/dbraw/zinc/94/43/97/536944397.db2.gz LNCULUJDTSHQPR-QGZVFWFLSA-N 1 2 328.416 1.866 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)c3cn(C)nc3C)CC[N@H+]2C)cc1 ZINC000257262838 536944404 /nfs/dbraw/zinc/94/44/04/536944404.db2.gz LNCULUJDTSHQPR-QGZVFWFLSA-N 1 2 328.416 1.866 40 0 EDABLO COc1cccc(C[N@@H+]2CCN(C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000019575608 202014335 /nfs/dbraw/zinc/01/43/35/202014335.db2.gz LTRNXWNGNOQWMP-HNNXBMFYSA-N 1 2 333.432 1.654 40 0 EDABLO COc1cccc(C[N@H+]2CCN(C(=O)N3CCOCC3)[C@@H](C)C2)c1 ZINC000019575608 202014340 /nfs/dbraw/zinc/01/43/40/202014340.db2.gz LTRNXWNGNOQWMP-HNNXBMFYSA-N 1 2 333.432 1.654 40 0 EDABLO CCc1noc(C)c1C(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257242150 244248900 /nfs/dbraw/zinc/24/89/00/244248900.db2.gz IBHRMCJAHWNEEQ-QGZVFWFLSA-N 1 2 330.388 1.312 40 0 EDABLO Cc1nnc(Nc2cccc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)s1 ZINC000072383058 203211286 /nfs/dbraw/zinc/21/12/86/203211286.db2.gz HZKVVDSJFLOXQN-LLVKDONJSA-N 1 2 332.433 1.650 40 0 EDABLO Cc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)s1 ZINC000072383058 203211290 /nfs/dbraw/zinc/21/12/90/203211290.db2.gz HZKVVDSJFLOXQN-LLVKDONJSA-N 1 2 332.433 1.650 40 0 EDABLO Cc1ncsc1C(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257246986 244258493 /nfs/dbraw/zinc/25/84/93/244258493.db2.gz IWVYBEPZOIRMAH-INIZCTEOSA-N 1 2 332.429 1.608 40 0 EDABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2)C1 ZINC000072362447 203206856 /nfs/dbraw/zinc/20/68/56/203206856.db2.gz OKUFZXYALXWDON-CQSZACIVSA-N 1 2 341.415 1.932 40 0 EDABLO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2cccnc2)C1 ZINC000072362447 203206859 /nfs/dbraw/zinc/20/68/59/203206859.db2.gz OKUFZXYALXWDON-CQSZACIVSA-N 1 2 341.415 1.932 40 0 EDABLO O=C(c1[nH]nc2ccccc21)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333465134 141321389 /nfs/dbraw/zinc/32/13/89/141321389.db2.gz HGGQXCVENANQTF-UHFFFAOYSA-N 1 2 336.399 1.840 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2cn3c(cccc3C)n2)[nH+]1 ZINC000257293976 301025504 /nfs/dbraw/zinc/02/55/04/301025504.db2.gz QRYBVMSGXRPHEK-CQSZACIVSA-N 1 2 325.372 1.888 40 0 EDABLO Cn1ccnc1C1(O)CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000012221771 441129482 /nfs/dbraw/zinc/12/94/82/441129482.db2.gz DKELFLGRKICJNM-UHFFFAOYSA-N 1 2 332.379 1.481 40 0 EDABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)CCC2 ZINC000024755107 441320528 /nfs/dbraw/zinc/32/05/28/441320528.db2.gz MWISAAABNWGFGP-UHFFFAOYSA-N 1 2 338.415 1.759 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@H+](C)C[C@H]3C2)c1 ZINC000107200935 441403950 /nfs/dbraw/zinc/40/39/50/441403950.db2.gz HAAJGIZHSDYHTL-MSOLQXFVSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[NH+]2CCN3C[C@H](C(=O)[O-])C[N@@H+](C)C[C@H]3C2)c1 ZINC000107200935 441403956 /nfs/dbraw/zinc/40/39/56/441403956.db2.gz HAAJGIZHSDYHTL-MSOLQXFVSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)c1 ZINC000107200935 441403962 /nfs/dbraw/zinc/40/39/62/441403962.db2.gz HAAJGIZHSDYHTL-MSOLQXFVSA-N 1 2 331.460 1.436 40 0 EDABLO Cc1cc(C)cc(C[N@H+]2CCN3C[C@H](C(=O)[O-])C[NH+](C)C[C@H]3C2)c1 ZINC000107200935 441403966 /nfs/dbraw/zinc/40/39/66/441403966.db2.gz HAAJGIZHSDYHTL-MSOLQXFVSA-N 1 2 331.460 1.436 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096057997 442007191 /nfs/dbraw/zinc/00/71/91/442007191.db2.gz CAUUJRCZOSDWHS-RCCFBDPRSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@H](OCc4ccncc4)CC[C@@H]32)cn1 ZINC000096057997 442007197 /nfs/dbraw/zinc/00/71/97/442007197.db2.gz CAUUJRCZOSDWHS-RCCFBDPRSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(CN2CCOC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2)cn1 ZINC000096062423 442011759 /nfs/dbraw/zinc/01/17/59/442011759.db2.gz KBJNUIPOSUPNHB-QGZVFWFLSA-N 1 2 347.488 1.601 40 0 EDABLO Cn1cc(CN2CCOC[C@@]3(CC[N@@H+](Cc4nccs4)C3)C2)cn1 ZINC000096062423 442011766 /nfs/dbraw/zinc/01/17/66/442011766.db2.gz KBJNUIPOSUPNHB-QGZVFWFLSA-N 1 2 347.488 1.601 40 0 EDABLO CCOC[C@H]1CN(C(=O)c2cccnc2OC)Cc2[nH+]cn(C)c21 ZINC000096068630 442016390 /nfs/dbraw/zinc/01/63/90/442016390.db2.gz SRFJVRGBWRKMPE-GFCCVEGCSA-N 1 2 330.388 1.600 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096072390 442018612 /nfs/dbraw/zinc/01/86/12/442018612.db2.gz AOZJSEPMBDIKKW-WMZOPIPTSA-N 1 2 328.416 1.765 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096072390 442018615 /nfs/dbraw/zinc/01/86/15/442018615.db2.gz AOZJSEPMBDIKKW-WMZOPIPTSA-N 1 2 328.416 1.765 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@@H+](Cc4ccncc4)[C@@H]3CC2)nc1 ZINC000096082245 442023147 /nfs/dbraw/zinc/02/31/47/442023147.db2.gz LRYSOELNLJUUDQ-IAGOWNOFSA-N 1 2 325.416 1.741 40 0 EDABLO c1cnc(N2CC[C@H]3OCC[N@H+](Cc4ccncc4)[C@@H]3CC2)nc1 ZINC000096082245 442023153 /nfs/dbraw/zinc/02/31/53/442023153.db2.gz LRYSOELNLJUUDQ-IAGOWNOFSA-N 1 2 325.416 1.741 40 0 EDABLO O=C(c1cnccn1)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096198974 442073033 /nfs/dbraw/zinc/07/30/33/442073033.db2.gz FXTJJSDTCBJNRU-UHFFFAOYSA-N 1 2 346.394 1.929 40 0 EDABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)cc[nH+]1 ZINC000257307813 443140322 /nfs/dbraw/zinc/14/03/22/443140322.db2.gz TUFQQJCFWHIJDL-CQSZACIVSA-N 1 2 326.400 1.842 40 0 EDABLO CCCn1cc[nH+]c1CN1CC[C@]1(CCCc1cnccn1)C(N)=O ZINC000257313139 443143170 /nfs/dbraw/zinc/14/31/70/443143170.db2.gz UREIOOIDFMDCAN-GOSISDBHSA-N 1 2 342.447 1.536 40 0 EDABLO CO[C@H]1CCN(C(=O)Cc2c(C)[nH+]c3ccccn32)C[C@@]12CCCO2 ZINC000257278383 443126909 /nfs/dbraw/zinc/12/69/09/443126909.db2.gz OCARSZLRWBTCIZ-LPHOPBHVSA-N 1 2 343.427 1.982 40 0 EDABLO CNC(=O)c1cc(C[C@H]2CCCN(c3cc(C)[nH+]cn3)CC2)ncn1 ZINC000257284119 443130547 /nfs/dbraw/zinc/13/05/47/443130547.db2.gz PBHPUPNXVWBPQD-AWEZNQCLSA-N 1 2 340.431 1.784 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CC[N@@H+]1C ZINC000257327103 443149393 /nfs/dbraw/zinc/14/93/93/443149393.db2.gz WZYAPJDGGYKVHT-MRXNPFEDSA-N 1 2 341.411 1.523 40 0 EDABLO COc1ccccc1[C@H]1CN(C(=O)c2ccc(=O)n(C)c2)CC[N@H+]1C ZINC000257327103 443149395 /nfs/dbraw/zinc/14/93/95/443149395.db2.gz WZYAPJDGGYKVHT-MRXNPFEDSA-N 1 2 341.411 1.523 40 0 EDABLO COCCN1CC[C@@]2(CN(C(C)=O)C[C@H]2c2cn(C(C)C)c[nH+]2)C1=O ZINC000306130597 444285696 /nfs/dbraw/zinc/28/56/96/444285696.db2.gz JKRXPJDGGGXYGP-YJBOKZPZSA-N 1 2 348.447 1.275 40 0 EDABLO Cc1nc(C[N@@H+]2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 ZINC000306132306 444286205 /nfs/dbraw/zinc/28/62/05/444286205.db2.gz LEOVXOWCJQGURJ-KGLIPLIRSA-N 1 2 327.475 1.592 40 0 EDABLO Cc1nc(C[N@H+]2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cs1 ZINC000306132306 444286209 /nfs/dbraw/zinc/28/62/09/444286209.db2.gz LEOVXOWCJQGURJ-KGLIPLIRSA-N 1 2 327.475 1.592 40 0 EDABLO O=C(Cn1cc[nH+]c1)N1CCO[C@@](CO)(Cc2ccc(Cl)cc2)C1 ZINC000585276828 448723073 /nfs/dbraw/zinc/72/30/73/448723073.db2.gz RCXIPVVVIUHDAH-KRWDZBQOSA-N 1 2 349.818 1.369 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](CO)N(S(=O)(=O)c1ccccc1Cl)C2 ZINC000585094708 448677123 /nfs/dbraw/zinc/67/71/23/448677123.db2.gz IRPLMNAQNIQQDC-SNVBAGLBSA-N 1 2 341.820 1.181 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1C[C@@H](O)[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC000585288032 448733601 /nfs/dbraw/zinc/73/36/01/448733601.db2.gz NQSHJILRULOZNM-YQVWRLOYSA-N 1 2 341.411 1.419 40 0 EDABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CC[C@@]2(CCCO2)C(=O)C1 ZINC000585289320 448734773 /nfs/dbraw/zinc/73/47/73/448734773.db2.gz PPWADESJLNHELT-SFHVURJKSA-N 1 2 327.384 1.536 40 0 EDABLO O[C@]1(COc2cccc(F)c2)COCC[N@H+](Cc2cncnc2)C1 ZINC000585269018 485894004 /nfs/dbraw/zinc/89/40/04/485894004.db2.gz HVPIJYSHPJSSIS-KRWDZBQOSA-N 1 2 333.363 1.258 40 0 EDABLO O[C@]1(COc2cccc(F)c2)COCC[N@@H+](Cc2cncnc2)C1 ZINC000585269018 485894012 /nfs/dbraw/zinc/89/40/12/485894012.db2.gz HVPIJYSHPJSSIS-KRWDZBQOSA-N 1 2 333.363 1.258 40 0 EDABLO Cn1cc(C[NH+]2CCC3(CC2)Nc2ccccc2S(=O)(=O)N3)cn1 ZINC000013265476 201888186 /nfs/dbraw/zinc/88/81/86/201888186.db2.gz PQKQXRSGXOYOHN-UHFFFAOYSA-N 1 2 347.444 1.116 40 0 EDABLO O=C(CCc1nc(-c2ccc(F)cc2)no1)NCC[NH+]1CCOCC1 ZINC000027773325 202159938 /nfs/dbraw/zinc/15/99/38/202159938.db2.gz KCMIJCZZFUTKAX-UHFFFAOYSA-N 1 2 348.378 1.257 40 0 EDABLO Cc1ccc(CN2Cc3c[nH+]cn3[C@H](C(=O)N3CCCO3)C2)s1 ZINC000248119110 243528224 /nfs/dbraw/zinc/52/82/24/243528224.db2.gz UKGHNRQRAFTDTE-HNNXBMFYSA-N 1 2 332.429 1.974 40 0 EDABLO CCn1cc(C(=O)N(C)C[C@]2(O)CCCN(c3cccc[nH+]3)C2)cn1 ZINC000257209994 244145320 /nfs/dbraw/zinc/14/53/20/244145320.db2.gz BSRWQYIUOQIEJW-GOSISDBHSA-N 1 2 343.431 1.402 40 0 EDABLO CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)on1 ZINC000257223372 244191276 /nfs/dbraw/zinc/19/12/76/244191276.db2.gz DXAWFXBALFKPTA-KRWDZBQOSA-N 1 2 330.388 1.393 40 0 EDABLO Cc1nc(Nc2cc(C)nc([C@H]3CC[N@H+](CC(N)=O)C3)n2)sc1C ZINC000257240882 244242498 /nfs/dbraw/zinc/24/24/98/244242498.db2.gz HVOBADVWRVCGPZ-LBPRGKRZSA-N 1 2 346.460 1.877 40 0 EDABLO Cc1nc(Nc2cc(C)nc([C@H]3CC[N@@H+](CC(N)=O)C3)n2)sc1C ZINC000257240882 244242507 /nfs/dbraw/zinc/24/25/07/244242507.db2.gz HVOBADVWRVCGPZ-LBPRGKRZSA-N 1 2 346.460 1.877 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(c3nc(C)cc(C)n3)CC[N@@H+]2C)c1 ZINC000072367681 203207367 /nfs/dbraw/zinc/20/73/67/203207367.db2.gz XADIBIMNLHIJMT-KRWDZBQOSA-N 1 2 339.443 1.946 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(c3nc(C)cc(C)n3)CC[N@H+]2C)c1 ZINC000072367681 203207368 /nfs/dbraw/zinc/20/73/68/203207368.db2.gz XADIBIMNLHIJMT-KRWDZBQOSA-N 1 2 339.443 1.946 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2CC[C@@H](Nc3cnccn3)[C@@H]2C1 ZINC000257249359 244266457 /nfs/dbraw/zinc/26/64/57/244266457.db2.gz JHXAFZKGKMEYKB-RRFJBIMHSA-N 1 2 326.404 1.412 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000257255700 244280737 /nfs/dbraw/zinc/28/07/37/244280737.db2.gz KINIOUPJDMCEBA-CYBMUJFWSA-N 1 2 334.445 1.663 40 0 EDABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000257255700 244280746 /nfs/dbraw/zinc/28/07/46/244280746.db2.gz KINIOUPJDMCEBA-CYBMUJFWSA-N 1 2 334.445 1.663 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)CCn2nnc3ccccc32)[nH+]1 ZINC000257256726 244284220 /nfs/dbraw/zinc/28/42/20/244284220.db2.gz KMPLHXZVCITNEC-OAHLLOKOSA-N 1 2 340.387 1.453 40 0 EDABLO COc1cccc(C[N@@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257269194 244369603 /nfs/dbraw/zinc/36/96/03/244369603.db2.gz MOYPPCMQBGBTCD-ZDUSSCGKSA-N 1 2 335.429 1.811 40 0 EDABLO COc1cccc(C[N@H+]2CC[C@H](c3n[nH]cc3S(C)(=O)=O)C2)c1 ZINC000257269194 244369609 /nfs/dbraw/zinc/36/96/09/244369609.db2.gz MOYPPCMQBGBTCD-ZDUSSCGKSA-N 1 2 335.429 1.811 40 0 EDABLO CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@](C)(C(=O)OC)[NH2+][C@@H]2c1ccccc1C ZINC000004884555 285175151 /nfs/dbraw/zinc/17/51/51/285175151.db2.gz SEKYBLVOEUSLDW-KYZVSKTDSA-N 1 2 330.384 1.192 40 0 EDABLO CC(C)[N@H+](C)Cc1nnc2n1CCN(C(=O)c1cccs1)CC2 ZINC000096058959 279384731 /nfs/dbraw/zinc/38/47/31/279384731.db2.gz CQVQSRJWWUXEMX-UHFFFAOYSA-N 1 2 333.461 1.878 40 0 EDABLO CC(C)[N@@H+](C)Cc1nnc2n1CCN(C(=O)c1cccs1)CC2 ZINC000096058959 279384733 /nfs/dbraw/zinc/38/47/33/279384733.db2.gz CQVQSRJWWUXEMX-UHFFFAOYSA-N 1 2 333.461 1.878 40 0 EDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@H+](Cc1ccoc1)C2 ZINC000096051332 441999742 /nfs/dbraw/zinc/99/97/42/441999742.db2.gz JCJPNHFQFQDDOB-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO O=C1CO[C@]2(CN1c1cccnc1)COCC[N@@H+](Cc1ccoc1)C2 ZINC000096051332 441999746 /nfs/dbraw/zinc/99/97/46/441999746.db2.gz JCJPNHFQFQDDOB-GOSISDBHSA-N 1 2 343.383 1.309 40 0 EDABLO Cc1cc(C[N@@H+]2CC[C@H]3C(=O)N(c4cccnc4)CCO[C@H]3C2)no1 ZINC000096110838 442036741 /nfs/dbraw/zinc/03/67/41/442036741.db2.gz BCKYEMUJSVIONA-SJORKVTESA-N 1 2 342.399 1.632 40 0 EDABLO Cc1cc(C[N@H+]2CC[C@H]3C(=O)N(c4cccnc4)CCO[C@H]3C2)no1 ZINC000096110838 442036748 /nfs/dbraw/zinc/03/67/48/442036748.db2.gz BCKYEMUJSVIONA-SJORKVTESA-N 1 2 342.399 1.632 40 0 EDABLO O=C(NC[C@H]1OC[C@@H]2CCN(c3cccc[nH+]3)C[C@@H]21)c1ccco1 ZINC000096185474 442059300 /nfs/dbraw/zinc/05/93/00/442059300.db2.gz MAOFYLXHOTWPPQ-OFQRWUPVSA-N 1 2 327.384 1.946 40 0 EDABLO CCS(=O)(=O)N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186012 442061038 /nfs/dbraw/zinc/06/10/38/442061038.db2.gz KOAKVVULSLERLV-HRCADAONSA-N 1 2 339.461 1.095 40 0 EDABLO CCS(=O)(=O)N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186012 442061041 /nfs/dbraw/zinc/06/10/41/442061041.db2.gz KOAKVVULSLERLV-HRCADAONSA-N 1 2 339.461 1.095 40 0 EDABLO Cn1cc([C@H]2CC(=O)N(C)C23CCN(c2cccc[nH+]2)CC3)cn1 ZINC000096199846 442074290 /nfs/dbraw/zinc/07/42/90/442074290.db2.gz LYUMNEYUHDPVQP-OAHLLOKOSA-N 1 2 325.416 1.800 40 0 EDABLO Cc1csc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)n1 ZINC000096208578 442083359 /nfs/dbraw/zinc/08/33/59/442083359.db2.gz BMSWDGAIPVQNPH-GXTWGEPZSA-N 1 2 345.490 1.124 40 0 EDABLO Cc1csc(C[N@H+]2CC[C@]3(C2)C[C@@H](NS(C)(=O)=O)CCO3)n1 ZINC000096208578 442083365 /nfs/dbraw/zinc/08/33/65/442083365.db2.gz BMSWDGAIPVQNPH-GXTWGEPZSA-N 1 2 345.490 1.124 40 0 EDABLO CCC(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251262 442104664 /nfs/dbraw/zinc/10/46/64/442104664.db2.gz BAENFFQSFMLVSL-KXBFYZLASA-N 1 2 344.459 1.625 40 0 EDABLO c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000247820492 442869889 /nfs/dbraw/zinc/86/98/89/442869889.db2.gz GKMXSUAOFHNXOM-BBWFWOEESA-N 1 2 326.400 1.930 40 0 EDABLO c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCC[N@H+]3Cc2ccncc2)nc1 ZINC000247820492 442869893 /nfs/dbraw/zinc/86/98/93/442869893.db2.gz GKMXSUAOFHNXOM-BBWFWOEESA-N 1 2 326.400 1.930 40 0 EDABLO CN(C)C(=O)C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247958038 442874155 /nfs/dbraw/zinc/87/41/55/442874155.db2.gz DKZFFYHBFRJNHX-HNNXBMFYSA-N 1 2 342.399 1.647 40 0 EDABLO CN(C)C(=O)C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247958038 442874159 /nfs/dbraw/zinc/87/41/59/442874159.db2.gz DKZFFYHBFRJNHX-HNNXBMFYSA-N 1 2 342.399 1.647 40 0 EDABLO CCn1cc(C[N@H+]2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)cn1 ZINC000248051681 442879509 /nfs/dbraw/zinc/87/95/09/442879509.db2.gz XPFIPVUTPIAMHF-QGZVFWFLSA-N 1 2 345.447 1.366 40 0 EDABLO CCn1cc(C[N@@H+]2Cc3cccn3[C@@H](COCC(=O)N(C)C)C2)cn1 ZINC000248051681 442879513 /nfs/dbraw/zinc/87/95/13/442879513.db2.gz XPFIPVUTPIAMHF-QGZVFWFLSA-N 1 2 345.447 1.366 40 0 EDABLO Cc1cc(C[C@H]2COCCN(C(=O)CCCn3cc[nH+]c3)C2)ncn1 ZINC000257308966 443141313 /nfs/dbraw/zinc/14/13/13/443141313.db2.gz TYYFEABWMKTQQO-MRXNPFEDSA-N 1 2 343.431 1.479 40 0 EDABLO Cn1cccc1C[N@@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257337777 443153996 /nfs/dbraw/zinc/15/39/96/443153996.db2.gz YUHPJTJKQUUOFP-CYBMUJFWSA-N 1 2 336.461 1.606 40 0 EDABLO Cn1cccc1C[N@H+]1CCC[C@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257337777 443154000 /nfs/dbraw/zinc/15/40/00/443154000.db2.gz YUHPJTJKQUUOFP-CYBMUJFWSA-N 1 2 336.461 1.606 40 0 EDABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1 ZINC000328961418 444424874 /nfs/dbraw/zinc/42/48/74/444424874.db2.gz BCIRQSLDJIBXPE-UHFFFAOYSA-N 1 2 328.372 2.288 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329044797 444456274 /nfs/dbraw/zinc/45/62/74/444456274.db2.gz SXXPJNWVZDJMCA-GFCCVEGCSA-N 1 2 325.372 1.380 40 0 EDABLO C[C@@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2ccccc2)[nH+]1 ZINC000329060755 444461099 /nfs/dbraw/zinc/46/10/99/444461099.db2.gz WNPIWVPPPNTHTF-HNNXBMFYSA-N 1 2 349.438 1.830 40 0 EDABLO CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)C=Cc2c[nH]c[nH+]2)C1 ZINC000585289017 448734557 /nfs/dbraw/zinc/73/45/57/448734557.db2.gz MHUPWRONVZJIOQ-FUTAKVPZSA-N 1 2 334.420 1.299 40 0 EDABLO COc1ccc([C@H]2CN(Cc3[nH+]ccn3C)CCN2C(C)=O)cc1 ZINC000257253954 536944846 /nfs/dbraw/zinc/94/48/46/536944846.db2.gz KAZXTJLDVFLZBK-QGZVFWFLSA-N 1 2 328.416 1.834 40 0 EDABLO C[N@@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 ZINC000019707066 202017118 /nfs/dbraw/zinc/01/71/18/202017118.db2.gz GWRQMIQBIVDHNS-INIZCTEOSA-N 1 2 339.443 1.672 40 0 EDABLO C[N@H+]1CCC[C@H]1c1nnc2n1CCN(C(=O)Cc1ccccc1)CC2 ZINC000019707066 202017121 /nfs/dbraw/zinc/01/71/21/202017121.db2.gz GWRQMIQBIVDHNS-INIZCTEOSA-N 1 2 339.443 1.672 40 0 EDABLO O=C(C1CC[NH+](Cc2nccn2C(F)F)CC1)N1CCOCC1 ZINC000078471044 138257628 /nfs/dbraw/zinc/25/76/28/138257628.db2.gz KYZYFENQJQRHHK-UHFFFAOYSA-N 1 2 328.363 1.349 40 0 EDABLO O=C(CCc1nc(-c2ccccc2)no1)NCC[NH+]1CCOCC1 ZINC000027773247 202160475 /nfs/dbraw/zinc/16/04/75/202160475.db2.gz LXHUDWBHFUKXAW-UHFFFAOYSA-N 1 2 330.388 1.118 40 0 EDABLO CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000257214928 244163953 /nfs/dbraw/zinc/16/39/53/244163953.db2.gz CNZHTSXVGOCQEV-UHFFFAOYSA-N 1 2 341.415 1.379 40 0 EDABLO CCOc1ccc(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cc1CO ZINC000257236542 244229393 /nfs/dbraw/zinc/22/93/93/244229393.db2.gz HCPZAURBCKNQSO-SFHVURJKSA-N 1 2 336.432 1.257 40 0 EDABLO CCOc1ccc(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)cc1CO ZINC000257236542 244229398 /nfs/dbraw/zinc/22/93/98/244229398.db2.gz HCPZAURBCKNQSO-SFHVURJKSA-N 1 2 336.432 1.257 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CCOC[C@H](Cc2ccncn2)C1 ZINC000257270953 244376046 /nfs/dbraw/zinc/37/60/46/244376046.db2.gz MWHDBNBULSDPMN-OAHLLOKOSA-N 1 2 329.404 1.171 40 0 EDABLO COc1ccc([C@H](C(=O)Cc2ccccc2)[NH+](CCO)CCO)cc1 ZINC000001668863 295233290 /nfs/dbraw/zinc/23/32/90/295233290.db2.gz MHYFVTITLGLIPK-HXUWFJFHSA-N 1 2 343.423 1.835 40 0 EDABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1OCC ZINC000008558244 441095802 /nfs/dbraw/zinc/09/58/02/441095802.db2.gz IDVRJZNCCMRGLF-UHFFFAOYSA-N 1 2 328.434 1.420 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 ZINC000017071840 441236945 /nfs/dbraw/zinc/23/69/45/441236945.db2.gz ZSBQCLDGBGNXFW-GDBMZVCRSA-N 1 2 344.411 1.902 40 0 EDABLO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 ZINC000017071840 441236949 /nfs/dbraw/zinc/23/69/49/441236949.db2.gz ZSBQCLDGBGNXFW-GDBMZVCRSA-N 1 2 344.411 1.902 40 0 EDABLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000113732135 441623890 /nfs/dbraw/zinc/62/38/90/441623890.db2.gz KOTHKRWGRLFJGP-UHFFFAOYSA-N 1 2 332.809 1.063 40 0 EDABLO O=C(C[C@@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)NCc1ccco1 ZINC000096218922 442089539 /nfs/dbraw/zinc/08/95/39/442089539.db2.gz CTTYEFDXEHLKEJ-BPLDGKMQSA-N 1 2 347.440 1.889 40 0 EDABLO O=C(C[C@@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)NCc1ccco1 ZINC000096218922 442089544 /nfs/dbraw/zinc/08/95/44/442089544.db2.gz CTTYEFDXEHLKEJ-BPLDGKMQSA-N 1 2 347.440 1.889 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@H](CC(=O)NCc4ccco4)[C@H]3C2)no1 ZINC000096220253 442091932 /nfs/dbraw/zinc/09/19/32/442091932.db2.gz CPHFONHPHGPRDK-IAOVAPTHSA-N 1 2 345.399 1.729 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@H](CC(=O)NCc4ccco4)[C@H]3C2)no1 ZINC000096220253 442091938 /nfs/dbraw/zinc/09/19/38/442091938.db2.gz CPHFONHPHGPRDK-IAOVAPTHSA-N 1 2 345.399 1.729 40 0 EDABLO Cc1nc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cs1 ZINC000096220343 442091982 /nfs/dbraw/zinc/09/19/82/442091982.db2.gz XMJKFNYKIKHGQT-OWCLPIDISA-N 1 2 347.440 1.808 40 0 EDABLO Cc1nc(C[N@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cs1 ZINC000096220343 442091985 /nfs/dbraw/zinc/09/19/85/442091985.db2.gz XMJKFNYKIKHGQT-OWCLPIDISA-N 1 2 347.440 1.808 40 0 EDABLO COCCNc1ccnc([C@H]2COCC[N@@H+]2CC2CCOCC2)n1 ZINC000096220491 442092067 /nfs/dbraw/zinc/09/20/67/442092067.db2.gz ZYFFEGFEHCYMLR-OAHLLOKOSA-N 1 2 336.436 1.335 40 0 EDABLO COCCNc1ccnc([C@H]2COCC[N@H+]2CC2CCOCC2)n1 ZINC000096220491 442092069 /nfs/dbraw/zinc/09/20/69/442092069.db2.gz ZYFFEGFEHCYMLR-OAHLLOKOSA-N 1 2 336.436 1.335 40 0 EDABLO COc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2COC[C@H]21 ZINC000096185125 442059392 /nfs/dbraw/zinc/05/93/92/442059392.db2.gz JBIFFEDJTRHPIO-BZUAXINKSA-N 1 2 331.416 1.206 40 0 EDABLO COc1ncccc1C[N@H+]1C[C@@H](NC(=O)CC2CC2)[C@H]2COC[C@H]21 ZINC000096185125 442059395 /nfs/dbraw/zinc/05/93/95/442059395.db2.gz JBIFFEDJTRHPIO-BZUAXINKSA-N 1 2 331.416 1.206 40 0 EDABLO O=C(Cc1cccc(F)c1)N1CCn2c(Cn3cncn3)c[nH+]c2C1 ZINC000096201142 442075183 /nfs/dbraw/zinc/07/51/83/442075183.db2.gz QDPVAQDYFGDYNH-UHFFFAOYSA-N 1 2 340.362 1.247 40 0 EDABLO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@H+]1Cc1ccncc1 ZINC000096201309 442076164 /nfs/dbraw/zinc/07/61/64/442076164.db2.gz BGTLUFYHDGSOCE-ZDUSSCGKSA-N 1 2 325.416 1.881 40 0 EDABLO C[C@H]1c2ncc(CNC(=O)C3CC3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096201309 442076166 /nfs/dbraw/zinc/07/61/66/442076166.db2.gz BGTLUFYHDGSOCE-ZDUSSCGKSA-N 1 2 325.416 1.881 40 0 EDABLO CCS(=O)(=O)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239632 442098919 /nfs/dbraw/zinc/09/89/19/442098919.db2.gz XMIQBEQDJBQLLA-AWEZNQCLSA-N 1 2 345.415 1.969 40 0 EDABLO Cn1c[nH+]c2c1CCN(Cc1ccccn1)[C@H]2CN1CCOCC1 ZINC000096259802 442106768 /nfs/dbraw/zinc/10/67/68/442106768.db2.gz SHACIRDYTNXWBL-KRWDZBQOSA-N 1 2 327.432 1.247 40 0 EDABLO Cn1c2cc(C(=O)NCC[NH+]3CCOCC3)n(C)c2c2ccccc21 ZINC000096264157 442108611 /nfs/dbraw/zinc/10/86/11/442108611.db2.gz GRANGVHFZUXWJH-UHFFFAOYSA-N 1 2 340.427 1.732 40 0 EDABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257312426 443142518 /nfs/dbraw/zinc/14/25/18/443142518.db2.gz UNWVLLDNXYWILM-WMZOPIPTSA-N 1 2 329.400 1.487 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccc3[nH]ccc3c2)[C@@H](C(=O)N(C)C)C1 ZINC000257317494 443144973 /nfs/dbraw/zinc/14/49/73/443144973.db2.gz VJYDZVOHWYOVDA-QGZVFWFLSA-N 1 2 328.416 1.289 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccc3[nH]ccc3c2)[C@@H](C(=O)N(C)C)C1 ZINC000257317494 443144976 /nfs/dbraw/zinc/14/49/76/443144976.db2.gz VJYDZVOHWYOVDA-QGZVFWFLSA-N 1 2 328.416 1.289 40 0 EDABLO CC(C)n1cc(C[NH+]2CCN(c3nccn4ccnc34)CC2)cn1 ZINC000306128306 444285469 /nfs/dbraw/zinc/28/54/69/444285469.db2.gz GWTMQVJZWUYIEH-UHFFFAOYSA-N 1 2 325.420 1.829 40 0 EDABLO OCCCNc1nc(NCc2cccs2)cc(-c2ccncc2)[nH+]1 ZINC000329043690 444455609 /nfs/dbraw/zinc/45/56/09/444455609.db2.gz SUGJOTDWNXYDFM-UHFFFAOYSA-N 1 2 341.440 1.850 40 0 EDABLO COc1cc2c(cc1OC)CN(c1cc(NCCCO)[nH+]cn1)CC2 ZINC000328974991 444430545 /nfs/dbraw/zinc/43/05/45/444430545.db2.gz FJFGSIZPCAZMIO-UHFFFAOYSA-N 1 2 344.415 1.851 40 0 EDABLO COc1cc2c(cc1OC)CN(c1cc(NCCCO)nc[nH+]1)CC2 ZINC000328974991 444430552 /nfs/dbraw/zinc/43/05/52/444430552.db2.gz FJFGSIZPCAZMIO-UHFFFAOYSA-N 1 2 344.415 1.851 40 0 EDABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2C[C@H]1COCC1CC1 ZINC000585094783 448678099 /nfs/dbraw/zinc/67/80/99/448678099.db2.gz MRQUPRPTEVLIDO-AWEZNQCLSA-N 1 2 328.416 1.752 40 0 EDABLO CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)/C=C/C[NH+]1CCOCC1 ZINC000585291198 448736067 /nfs/dbraw/zinc/73/60/67/448736067.db2.gz MZNBQOSRDIUSCB-UKZKYTFVSA-N 1 2 349.475 1.124 40 0 EDABLO CCCc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257260704 535391421 /nfs/dbraw/zinc/39/14/21/535391421.db2.gz LDZIGLOFARNBKY-GOSISDBHSA-N 1 2 344.415 1.783 40 0 EDABLO COc1cccc2[nH]c(C(=O)N3CC[N@H+](C(C)C)[C@H](C(N)=O)C3)cc21 ZINC000257235753 536924613 /nfs/dbraw/zinc/92/46/13/536924613.db2.gz GZGSWHQATDUNLK-HNNXBMFYSA-N 1 2 344.415 1.197 40 0 EDABLO COc1cccc2[nH]c(C(=O)N3CC[N@@H+](C(C)C)[C@H](C(N)=O)C3)cc21 ZINC000257235753 536924616 /nfs/dbraw/zinc/92/46/16/536924616.db2.gz GZGSWHQATDUNLK-HNNXBMFYSA-N 1 2 344.415 1.197 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[N@@H+]2C(C)(C)C1 ZINC000253395966 201186604 /nfs/dbraw/zinc/18/66/04/201186604.db2.gz CWBOULGKBIERIQ-KRWDZBQOSA-N 1 2 329.444 1.762 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[N@H+]2C(C)(C)C1 ZINC000253395966 201186605 /nfs/dbraw/zinc/18/66/05/201186605.db2.gz CWBOULGKBIERIQ-KRWDZBQOSA-N 1 2 329.444 1.762 40 0 biogenic,in-vitro EDABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@H+]1CC1CCOCC1 ZINC000253592365 291327580 /nfs/dbraw/zinc/32/75/80/291327580.db2.gz VPKMQUAXEYGUHL-AWEZNQCLSA-N 1 2 330.432 1.698 40 0 EDABLO C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CC[N@@H+]1CC1CCOCC1 ZINC000253592365 291327581 /nfs/dbraw/zinc/32/75/81/291327581.db2.gz VPKMQUAXEYGUHL-AWEZNQCLSA-N 1 2 330.432 1.698 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3cnc[nH]c3=O)CC[N@@H+]2C)cc1 ZINC000257201943 244120065 /nfs/dbraw/zinc/12/00/65/244120065.db2.gz AJSLRBAYKJHIEW-HNNXBMFYSA-N 1 2 328.372 1.320 40 0 EDABLO COc1ccc([C@@H]2CN(C(=O)c3cnc[nH]c3=O)CC[N@H+]2C)cc1 ZINC000257201943 244120074 /nfs/dbraw/zinc/12/00/74/244120074.db2.gz AJSLRBAYKJHIEW-HNNXBMFYSA-N 1 2 328.372 1.320 40 0 EDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257224844 244198859 /nfs/dbraw/zinc/19/88/59/244198859.db2.gz FDQQWFAEGWPRLC-KRWDZBQOSA-N 1 2 341.459 1.962 40 0 EDABLO Cc1cn(C)c([C@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257224844 244198869 /nfs/dbraw/zinc/19/88/69/244198869.db2.gz FDQQWFAEGWPRLC-KRWDZBQOSA-N 1 2 341.459 1.962 40 0 EDABLO Cc1nccc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257227626 244204828 /nfs/dbraw/zinc/20/48/28/244204828.db2.gz FQEPTFASRCMINX-ZDUSSCGKSA-N 1 2 349.460 1.366 40 0 EDABLO Cc1nccc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257227626 244204830 /nfs/dbraw/zinc/20/48/30/244204830.db2.gz FQEPTFASRCMINX-ZDUSSCGKSA-N 1 2 349.460 1.366 40 0 EDABLO CNc1cccc(C[C@@H]2COCCN(C(=O)c3cnn(C)c3)C2)[nH+]1 ZINC000072388182 203211557 /nfs/dbraw/zinc/21/15/57/203211557.db2.gz DNQNULSVIXXCGS-ZDUSSCGKSA-N 1 2 329.404 1.188 40 0 EDABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2CC(N)=O)nc(C)n1 ZINC000072360955 203206414 /nfs/dbraw/zinc/20/64/14/203206414.db2.gz OQJGWQLCVMZNMF-CQSZACIVSA-N 1 2 326.404 1.854 40 0 EDABLO Cc1cccnc1Nc1cc([C@H]2CCC[N@H+]2CC(N)=O)nc(C)n1 ZINC000072360955 203206417 /nfs/dbraw/zinc/20/64/17/203206417.db2.gz OQJGWQLCVMZNMF-CQSZACIVSA-N 1 2 326.404 1.854 40 0 EDABLO CN(C[C@@]1(O)CCN(c2cccc[nH+]2)C1)C(=O)c1n[nH]c2c1CCC2 ZINC000257241295 244244525 /nfs/dbraw/zinc/24/45/25/244244525.db2.gz HXNFJDCRPKHQGA-SFHVURJKSA-N 1 2 341.415 1.007 40 0 EDABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@H+](CC(N)=O)C3)n2)n1 ZINC000257252777 244273926 /nfs/dbraw/zinc/27/39/26/244273926.db2.gz JWCULATXKXMAOK-GFCCVEGCSA-N 1 2 346.460 1.958 40 0 EDABLO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000257252777 244273934 /nfs/dbraw/zinc/27/39/34/244273934.db2.gz JWCULATXKXMAOK-GFCCVEGCSA-N 1 2 346.460 1.958 40 0 EDABLO C[N@@H+]1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529867 207165871 /nfs/dbraw/zinc/16/58/71/207165871.db2.gz QQYNVGWIRNKBGF-STQMWFEESA-N 1 2 339.355 1.900 40 0 biogenic,in-vitro EDABLO C[N@H+]1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529867 207165873 /nfs/dbraw/zinc/16/58/73/207165873.db2.gz QQYNVGWIRNKBGF-STQMWFEESA-N 1 2 339.355 1.900 40 0 biogenic,in-vitro EDABLO COc1ccccc1N1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000057711758 132201560 /nfs/dbraw/zinc/20/15/60/132201560.db2.gz LZCIARZHVVZNSI-HNNXBMFYSA-N 1 2 333.432 1.112 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2C(=O)c2ccc(-n3cccn3)nc2)[nH+]1 ZINC000257296124 301025310 /nfs/dbraw/zinc/02/53/10/301025310.db2.gz RBJIYDBFIOLQMH-CQSZACIVSA-N 1 2 338.371 1.513 40 0 EDABLO O[C@@H]1C[C@@H](c2nc(Cc3ccccc3)no2)N(Cc2[nH]cc[nH+]2)C1 ZINC000015674654 441207745 /nfs/dbraw/zinc/20/77/45/441207745.db2.gz GFWOMUPIAJVKCQ-KGLIPLIRSA-N 1 2 325.372 1.691 40 0 biogenic,in-vitro EDABLO CC(C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1C(=O)NCc1ccco1 ZINC000015676148 441208328 /nfs/dbraw/zinc/20/83/28/441208328.db2.gz XAFMUUYWVBATKF-AWEZNQCLSA-N 1 2 331.376 1.164 40 0 biogenic,in-vitro EDABLO CC(C)NC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1C(=O)NCc1ccco1 ZINC000015676148 441208332 /nfs/dbraw/zinc/20/83/32/441208332.db2.gz XAFMUUYWVBATKF-AWEZNQCLSA-N 1 2 331.376 1.164 40 0 biogenic,in-vitro EDABLO Cc1nn(C)cc1C[N@@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000019583900 441258284 /nfs/dbraw/zinc/25/82/84/441258284.db2.gz SVVAAGQGCPGSKX-UHFFFAOYSA-N 1 2 336.399 1.432 40 0 EDABLO Cc1nn(C)cc1C[N@H+]1CCc2c(=O)[nH]c(-c3ccccn3)nc2C1 ZINC000019583900 441258298 /nfs/dbraw/zinc/25/82/98/441258298.db2.gz SVVAAGQGCPGSKX-UHFFFAOYSA-N 1 2 336.399 1.432 40 0 EDABLO CCOC(=O)N1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000038836414 441616863 /nfs/dbraw/zinc/61/68/63/441616863.db2.gz ZUHCRPRNEJLFQO-UHFFFAOYSA-N 1 2 342.399 1.846 40 0 EDABLO CCOc1ccc([C@H]([NH3+])c2nnc(Cn3cccn3)[nH]2)cc1OCC ZINC000095534554 441953207 /nfs/dbraw/zinc/95/32/07/441953207.db2.gz YKLWCHHTJMWCLL-INIZCTEOSA-N 1 2 342.403 1.895 40 0 EDABLO CN(C)C(=O)COC[C@H]1CN(Cc2ccoc2)Cc2[nH+]cn(C)c21 ZINC000096044865 441994072 /nfs/dbraw/zinc/99/40/72/441994072.db2.gz DEAAJXLOOBPNGL-CQSZACIVSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096044865 441994076 /nfs/dbraw/zinc/99/40/76/441994076.db2.gz DEAAJXLOOBPNGL-CQSZACIVSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@H]1C[N@@H+](Cc2ccoc2)Cc2ncn(C)c21 ZINC000096044865 441994082 /nfs/dbraw/zinc/99/40/82/441994082.db2.gz DEAAJXLOOBPNGL-CQSZACIVSA-N 1 2 332.404 1.217 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2[nH+]ccn2C[C@@H](Cn2cncn2)C1 ZINC000096188631 442065874 /nfs/dbraw/zinc/06/58/74/442065874.db2.gz PXLJZGGRXWZEOS-CYBMUJFWSA-N 1 2 326.360 1.348 40 0 EDABLO O=C(c1ccco1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096201024 442075839 /nfs/dbraw/zinc/07/58/39/442075839.db2.gz KUAKXVNVISJOPS-SJORKVTESA-N 1 2 341.411 1.833 40 0 EDABLO CC(C)COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2ncccn2)C1 ZINC000096216697 442086907 /nfs/dbraw/zinc/08/69/07/442086907.db2.gz PIPWNFDJUNWRRL-AWEZNQCLSA-N 1 2 329.404 1.618 40 0 EDABLO O=C1CCCN1Cc1nnn2c1C[N@H+](Cc1ccsc1)CCC2 ZINC000096259488 442107400 /nfs/dbraw/zinc/10/74/00/442107400.db2.gz SUEMJEFXMBBPIA-UHFFFAOYSA-N 1 2 331.445 1.868 40 0 EDABLO O=C1CCCN1Cc1nnn2c1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096259488 442107403 /nfs/dbraw/zinc/10/74/03/442107403.db2.gz SUEMJEFXMBBPIA-UHFFFAOYSA-N 1 2 331.445 1.868 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247310806 442847244 /nfs/dbraw/zinc/84/72/44/442847244.db2.gz INRWYTLABDWXHK-CYBMUJFWSA-N 1 2 347.444 1.314 40 0 EDABLO Fc1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@@H+]3Cc2ccncc2)nc1 ZINC000247536072 442861012 /nfs/dbraw/zinc/86/10/12/442861012.db2.gz QMJKMJSJHHZVIW-SJORKVTESA-N 1 2 343.406 1.881 40 0 EDABLO Fc1cnc(N2CC[C@@H]3[C@H](CC2)OCC[N@H+]3Cc2ccncc2)nc1 ZINC000247536072 442861016 /nfs/dbraw/zinc/86/10/16/442861016.db2.gz QMJKMJSJHHZVIW-SJORKVTESA-N 1 2 343.406 1.881 40 0 EDABLO COC[C@@H]1CCS(=O)(=O)C12C[NH+](Cc1cccc3[nH]ccc31)C2 ZINC000247897955 442872491 /nfs/dbraw/zinc/87/24/91/442872491.db2.gz VFFSTDWXJKWSIA-AWEZNQCLSA-N 1 2 334.441 1.803 40 0 EDABLO CNC(=O)C[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247977326 442875209 /nfs/dbraw/zinc/87/52/09/442875209.db2.gz WNLVKVHANSFEQG-AWEZNQCLSA-N 1 2 328.372 1.305 40 0 EDABLO CNC(=O)C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ccnn21 ZINC000247977326 442875213 /nfs/dbraw/zinc/87/52/13/442875213.db2.gz WNLVKVHANSFEQG-AWEZNQCLSA-N 1 2 328.372 1.305 40 0 EDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](COCC(=O)N(C)C)C1 ZINC000248001820 442876023 /nfs/dbraw/zinc/87/60/23/442876023.db2.gz NVZXLBDVKSFFOF-CQSZACIVSA-N 1 2 349.460 1.310 40 0 EDABLO CCOCC(=O)N1Cc2c[nH+]cn2[C@@H](COCc2ccncc2)C1 ZINC000248289888 442887144 /nfs/dbraw/zinc/88/71/44/442887144.db2.gz KGDRCEVLVFSQAS-MRXNPFEDSA-N 1 2 330.388 1.415 40 0 EDABLO Cc1ccn(CCC(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257291069 443134055 /nfs/dbraw/zinc/13/40/55/443134055.db2.gz QFMSGRNHQNXLSZ-SFHVURJKSA-N 1 2 343.431 1.076 40 0 EDABLO CCOCC(=O)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257302226 443138889 /nfs/dbraw/zinc/13/88/89/443138889.db2.gz SCACYJXOOIUZHE-QGZVFWFLSA-N 1 2 333.432 1.614 40 0 EDABLO CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)on1 ZINC000257308104 443140512 /nfs/dbraw/zinc/14/05/12/443140512.db2.gz TVKKSWLCGDOCDV-KRWDZBQOSA-N 1 2 345.403 1.097 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2nc(C(C)C)no2)[nH+]1 ZINC000257313300 443143126 /nfs/dbraw/zinc/14/31/26/443143126.db2.gz URSVCSUSUFZWGM-LBPRGKRZSA-N 1 2 333.392 1.757 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@@H+]1C(C)C ZINC000257326611 443149229 /nfs/dbraw/zinc/14/92/29/443149229.db2.gz WXWORBIKBQZNPA-KRWDZBQOSA-N 1 2 342.443 1.378 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CC[N@H+]1C(C)C ZINC000257326611 443149232 /nfs/dbraw/zinc/14/92/32/443149232.db2.gz WXWORBIKBQZNPA-KRWDZBQOSA-N 1 2 342.443 1.378 40 0 EDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCCO)[nH+]cn1)C2 ZINC000329063901 444462379 /nfs/dbraw/zinc/46/23/79/444462379.db2.gz XGGXDEBGPGZUEC-CYBMUJFWSA-N 1 2 328.416 1.887 40 0 EDABLO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc[nH+]1)C2 ZINC000329063901 444462384 /nfs/dbraw/zinc/46/23/84/444462384.db2.gz XGGXDEBGPGZUEC-CYBMUJFWSA-N 1 2 328.416 1.887 40 0 EDABLO CCn1cc(C[N@@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585276838 448722784 /nfs/dbraw/zinc/72/27/84/448722784.db2.gz RMGLHPYZPMBDER-SFHVURJKSA-N 1 2 333.407 1.848 40 0 EDABLO CCn1cc(C[N@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)cn1 ZINC000585276838 448722789 /nfs/dbraw/zinc/72/27/89/448722789.db2.gz RMGLHPYZPMBDER-SFHVURJKSA-N 1 2 333.407 1.848 40 0 EDABLO O=C(NCC1CCOCC1)[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585095971 448678878 /nfs/dbraw/zinc/67/88/78/448678878.db2.gz HRTYFXRMYPUIMA-INIZCTEOSA-N 1 2 346.431 1.109 40 0 EDABLO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@@H+](Cc1cccnc1)C2 ZINC000585097620 448682499 /nfs/dbraw/zinc/68/24/99/448682499.db2.gz NWTGUXCDQVQUIL-KRWDZBQOSA-N 1 2 336.399 1.922 40 0 EDABLO c1cc2n(n1)CC[C@@H](COc1cnccn1)[N@H+](Cc1cccnc1)C2 ZINC000585097620 448682504 /nfs/dbraw/zinc/68/25/04/448682504.db2.gz NWTGUXCDQVQUIL-KRWDZBQOSA-N 1 2 336.399 1.922 40 0 EDABLO O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585286398 448732860 /nfs/dbraw/zinc/73/28/60/448732860.db2.gz XRNQUCNYSIRAHR-SRCQZFHVSA-N 1 2 349.818 1.871 40 0 EDABLO CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]12 ZINC000257264735 536301728 /nfs/dbraw/zinc/30/17/28/536301728.db2.gz LVVQBRBCPVADEV-QLFBSQMISA-N 1 2 326.404 1.047 40 0 EDABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@](C)(C(=O)N(C)C)C2)s1 ZINC000019746907 202018260 /nfs/dbraw/zinc/01/82/60/202018260.db2.gz HWCFRINJIBOCIR-INIZCTEOSA-N 1 2 340.493 1.668 40 0 EDABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@](C)(C(=O)N(C)C)C2)s1 ZINC000019746907 202018262 /nfs/dbraw/zinc/01/82/62/202018262.db2.gz HWCFRINJIBOCIR-INIZCTEOSA-N 1 2 340.493 1.668 40 0 EDABLO CNC(=O)c1cnn2c1nccc2[C@@H]1CCN(c2cc(C)[nH+]cn2)C1 ZINC000257225740 244199052 /nfs/dbraw/zinc/19/90/52/244199052.db2.gz FHOJOJOYTPGAOZ-GFCCVEGCSA-N 1 2 337.387 1.181 40 0 EDABLO CC(=O)N1CCN(c2cc([C@@H]3C[N@H+](C(C)C)CCO3)nc(C)n2)CC1 ZINC000072387157 203211960 /nfs/dbraw/zinc/21/19/60/203211960.db2.gz BMTXIVLQFOJMQS-KRWDZBQOSA-N 1 2 347.463 1.235 40 0 EDABLO CC(=O)N1CCN(c2cc([C@@H]3C[N@@H+](C(C)C)CCO3)nc(C)n2)CC1 ZINC000072387157 203211964 /nfs/dbraw/zinc/21/19/64/203211964.db2.gz BMTXIVLQFOJMQS-KRWDZBQOSA-N 1 2 347.463 1.235 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(Cc3c[nH+]c[nH]3)CCN2C(C)=O)c1 ZINC000257237449 244231407 /nfs/dbraw/zinc/23/14/07/244231407.db2.gz HGMQPOQICZIANG-QGZVFWFLSA-N 1 2 341.415 1.175 40 0 EDABLO 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/nfs/dbraw/zinc/36/96/56/244369656.db2.gz MPYHPOHCOMTGJV-UHFFFAOYSA-N 1 2 342.490 1.864 40 0 EDABLO CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000257270096 244373293 /nfs/dbraw/zinc/37/32/93/244373293.db2.gz MSTBJISUJHXZGU-CYBMUJFWSA-N 1 2 341.814 1.505 40 0 EDABLO CNC(=O)[C@H]1CN(C(C)=O)CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC000257270096 244373303 /nfs/dbraw/zinc/37/33/03/244373303.db2.gz MSTBJISUJHXZGU-CYBMUJFWSA-N 1 2 341.814 1.505 40 0 EDABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3cccc(F)c3)C2=O)CC1 ZINC000104346182 204106239 /nfs/dbraw/zinc/10/62/39/204106239.db2.gz BGHLRQHETZWOMH-HNNXBMFYSA-N 1 2 348.374 1.733 40 0 EDABLO Cn1ccnc1C[N@@H+]1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000107785430 204248085 /nfs/dbraw/zinc/24/80/85/204248085.db2.gz AOZJSEPMBDIKKW-SJLPKXTDSA-N 1 2 328.416 1.765 40 0 EDABLO Cn1ccnc1C[N@H+]1CC[C@@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000107785430 204248089 /nfs/dbraw/zinc/24/80/89/204248089.db2.gz AOZJSEPMBDIKKW-SJLPKXTDSA-N 1 2 328.416 1.765 40 0 EDABLO COC[C@H]1Cn2c[nH+]cc2CN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000096208132 277268130 /nfs/dbraw/zinc/26/81/30/277268130.db2.gz ZBEBNMXGPAFQHA-LBPRGKRZSA-N 1 2 339.392 1.489 40 0 EDABLO CC(=O)Nc1cc(C(=O)N2CCOC[C@H]2c2[nH]cc(C)[nH+]2)ccn1 ZINC000257264514 278184889 /nfs/dbraw/zinc/18/48/89/278184889.db2.gz LUTRPGKCKIZONV-ZDUSSCGKSA-N 1 2 329.360 1.285 40 0 EDABLO Cc1sc2nc(C)n(C3CC[NH+](CC(N)=O)CC3)c(=O)c2c1C ZINC000012145410 441128588 /nfs/dbraw/zinc/12/85/88/441128588.db2.gz AVLWUJGEMZYZRG-UHFFFAOYSA-N 1 2 334.445 1.505 40 0 EDABLO CCOC[C@H]1CN(C(=O)c2ccnnc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045133 441994350 /nfs/dbraw/zinc/99/43/50/441994350.db2.gz YPKCVDAFXGMTCT-OAHLLOKOSA-N 1 2 341.415 1.859 40 0 EDABLO Cc1ccc(CN2CCc3c([nH]nc3C(=O)N3CC[NH+](C)CC3)C2)o1 ZINC000096187454 442063948 /nfs/dbraw/zinc/06/39/48/442063948.db2.gz YVOTTWYIPZVBFL-UHFFFAOYSA-N 1 2 343.431 1.257 40 0 EDABLO CCOC[C@@H]1Cn2cc[nH+]c2CN(S(=O)(=O)Cc2ccccc2)C1 ZINC000096187806 442064456 /nfs/dbraw/zinc/06/44/56/442064456.db2.gz 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ZINC000257295367 443135537 /nfs/dbraw/zinc/13/55/37/443135537.db2.gz QYAMSWGNYUHPRD-OAHLLOKOSA-N 1 2 332.448 1.837 40 0 EDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cccn1C ZINC000257300925 443137307 /nfs/dbraw/zinc/13/73/07/443137307.db2.gz RWGDCKGCNAJDJH-SFHVURJKSA-N 1 2 328.416 1.524 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CCO[C@@H](CCc2ccncn2)C1 ZINC000257304379 443139510 /nfs/dbraw/zinc/13/95/10/443139510.db2.gz SLJBOPXMNBSEQV-INIZCTEOSA-N 1 2 329.404 1.314 40 0 EDABLO CCc1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000257320227 443146388 /nfs/dbraw/zinc/14/63/88/443146388.db2.gz VVWBMSORFQJPAD-KRWDZBQOSA-N 1 2 345.403 1.097 40 0 EDABLO CCc1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)no1 ZINC000257325375 443147626 /nfs/dbraw/zinc/14/76/26/443147626.db2.gz WSSGBGGZPPVZPQ-KRWDZBQOSA-N 1 2 345.403 1.049 40 0 EDABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Nc2ncc(C)s2)C1 ZINC000257283430 443129513 /nfs/dbraw/zinc/12/95/13/443129513.db2.gz OYHMLKXKJWKKDA-GFCCVEGCSA-N 1 2 346.460 1.911 40 0 EDABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Nc2ncc(C)s2)C1 ZINC000257283430 443129516 /nfs/dbraw/zinc/12/95/16/443129516.db2.gz OYHMLKXKJWKKDA-GFCCVEGCSA-N 1 2 346.460 1.911 40 0 EDABLO CC(C)c1ncc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)cn1 ZINC000257281459 443129575 /nfs/dbraw/zinc/12/95/75/443129575.db2.gz OPHCKSBLKMWTEV-SFHVURJKSA-N 1 2 341.415 1.366 40 0 EDABLO CCCn1ccnc1C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257283611 443129887 /nfs/dbraw/zinc/12/98/87/443129887.db2.gz OYZZHWIXMHRFOO-AWEZNQCLSA-N 1 2 331.420 1.480 40 0 EDABLO CCCn1ccnc1C[N@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1 ZINC000257283611 443129892 /nfs/dbraw/zinc/12/98/92/443129892.db2.gz OYZZHWIXMHRFOO-AWEZNQCLSA-N 1 2 331.420 1.480 40 0 EDABLO O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257334793 443151960 /nfs/dbraw/zinc/15/19/60/443151960.db2.gz YHKJLIHBHFLCOH-YOEHRIQHSA-N 1 2 328.372 1.023 40 0 EDABLO Cc1cc(CN2Cc3c[nH+]cn3[C@@H](CN3CCCC3=O)C2)n(C)n1 ZINC000306138689 444287014 /nfs/dbraw/zinc/28/70/14/444287014.db2.gz SEJUVOCUSODNRX-MRXNPFEDSA-N 1 2 328.420 1.104 40 0 EDABLO Cc1ccc(OC[C@@]2(O)CC[N@H+](CC(=O)Nc3ccccn3)C2)cc1 ZINC000585276592 448721815 /nfs/dbraw/zinc/72/18/15/448721815.db2.gz NOZMIQYZZBONND-LJQANCHMSA-N 1 2 341.411 1.844 40 0 EDABLO Cc1ccc(OC[C@@]2(O)CC[N@@H+](CC(=O)Nc3ccccn3)C2)cc1 ZINC000585276592 448721822 /nfs/dbraw/zinc/72/18/22/448721822.db2.gz NOZMIQYZZBONND-LJQANCHMSA-N 1 2 341.411 1.844 40 0 EDABLO Cc1nc(/C=C/C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cs1 ZINC000585289084 448734807 /nfs/dbraw/zinc/73/48/07/448734807.db2.gz DFWAQSAFBHGQKF-WEFZIGITSA-N 1 2 332.429 1.932 40 0 EDABLO CN(C)C(=O)COCC[C@@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247958034 243490792 /nfs/dbraw/zinc/49/07/92/243490792.db2.gz DKNPAMOTCQICAH-MRXNPFEDSA-N 1 2 347.459 1.558 40 0 EDABLO Cn1nnc2c1CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000070503665 203077825 /nfs/dbraw/zinc/07/78/25/203077825.db2.gz BKUYIHCLYZEXOD-CQSZACIVSA-N 1 2 337.221 1.669 40 0 EDABLO Cn1nnc2c1CC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C2 ZINC000070503665 203077827 /nfs/dbraw/zinc/07/78/27/203077827.db2.gz BKUYIHCLYZEXOD-CQSZACIVSA-N 1 2 337.221 1.669 40 0 EDABLO CCCn1cc[nH+]c1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257206890 244136658 /nfs/dbraw/zinc/13/66/58/244136658.db2.gz BFIXHVGTEHKVTP-HNNXBMFYSA-N 1 2 331.420 1.622 40 0 EDABLO CC(=O)N1CC[N@H+](CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000257200930 244117210 /nfs/dbraw/zinc/11/72/10/244117210.db2.gz AFJJJAVTKKSLQZ-SFHVURJKSA-N 1 2 329.444 1.904 40 0 EDABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCCCC2)[C@H](c2ccccc2)C1 ZINC000257200930 244117214 /nfs/dbraw/zinc/11/72/14/244117214.db2.gz AFJJJAVTKKSLQZ-SFHVURJKSA-N 1 2 329.444 1.904 40 0 EDABLO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)ccc1F ZINC000257220947 244185813 /nfs/dbraw/zinc/18/58/13/244185813.db2.gz DMXJPGJDYVYLGJ-HZPDHXFCSA-N 1 2 345.374 1.204 40 0 EDABLO COc1cc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)c3ccccn3)C2)ccc1F ZINC000257220947 244185822 /nfs/dbraw/zinc/18/58/22/244185822.db2.gz DMXJPGJDYVYLGJ-HZPDHXFCSA-N 1 2 345.374 1.204 40 0 EDABLO CN(C)c1cccc(C[C@H]2COCCN(C(=O)c3cc[nH]n3)C2)[nH+]1 ZINC000072388165 203211989 /nfs/dbraw/zinc/21/19/89/203211989.db2.gz ZMQXBYUJXKSIBN-CYBMUJFWSA-N 1 2 329.404 1.202 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257236325 244230476 /nfs/dbraw/zinc/23/04/76/244230476.db2.gz HBPRHQSNTUOHQZ-KRWDZBQOSA-N 1 2 328.420 1.721 40 0 EDABLO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN2Cc2c[nH]c[nH+]2)n1 ZINC000257236325 244230481 /nfs/dbraw/zinc/23/04/81/244230481.db2.gz HBPRHQSNTUOHQZ-KRWDZBQOSA-N 1 2 328.420 1.721 40 0 EDABLO Cc1c[nH]c([C@H]2COCCN2Cc2ccnc(N3CCCC3)n2)[nH+]1 ZINC000257238929 244239230 /nfs/dbraw/zinc/23/92/30/244239230.db2.gz HNDUPGBUHLWTTB-OAHLLOKOSA-N 1 2 328.420 1.682 40 0 EDABLO O=C1CO[C@H]2CC[N@@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257267798 244366509 /nfs/dbraw/zinc/36/65/09/244366509.db2.gz MITSBVRCLGMJBA-STQMWFEESA-N 1 2 325.206 1.538 40 0 EDABLO O=C1CO[C@H]2CC[N@H+](Cc3ccccc3Br)C[C@@H]2N1 ZINC000257267798 244366514 /nfs/dbraw/zinc/36/65/14/244366514.db2.gz MITSBVRCLGMJBA-STQMWFEESA-N 1 2 325.206 1.538 40 0 EDABLO Cc1nn(C)cc1C(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257314304 244497668 /nfs/dbraw/zinc/49/76/68/244497668.db2.gz UWIIOUNWBJUASW-GOSISDBHSA-N 1 2 343.431 1.227 40 0 EDABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@H+](C)C1 ZINC000012529839 207165690 /nfs/dbraw/zinc/16/56/90/207165690.db2.gz HMZMROLFERHJLR-STQMWFEESA-N 1 2 330.392 1.584 40 0 biogenic,in-vitro EDABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccncc3)no2)[N@@H+](C)C1 ZINC000012529839 207165695 /nfs/dbraw/zinc/16/56/95/207165695.db2.gz HMZMROLFERHJLR-STQMWFEESA-N 1 2 330.392 1.584 40 0 biogenic,in-vitro EDABLO Cn1c2nc3n(c2c(=O)[nH]c1=O)CCCN3c1ccc([NH+](C)C)cc1 ZINC000010109176 441110087 /nfs/dbraw/zinc/11/00/87/441110087.db2.gz CNAZUDXDWCFUBH-UHFFFAOYSA-N 1 2 340.387 1.031 40 0 EDABLO CN(C)C(=O)COC[C@@H]1CN(Cc2ccccn2)Cc2[nH+]cn(C)c21 ZINC000096044872 441993567 /nfs/dbraw/zinc/99/35/67/441993567.db2.gz QRTXJFYMILUCLG-AWEZNQCLSA-N 1 2 343.431 1.019 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096044872 441993571 /nfs/dbraw/zinc/99/35/71/441993571.db2.gz QRTXJFYMILUCLG-AWEZNQCLSA-N 1 2 343.431 1.019 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccccn2)Cc2ncn(C)c21 ZINC000096044872 441993573 /nfs/dbraw/zinc/99/35/73/441993573.db2.gz QRTXJFYMILUCLG-AWEZNQCLSA-N 1 2 343.431 1.019 40 0 EDABLO O=C([C@@H]1CCOC1)N1CCN(Cc2ccncc2)c2[nH+]cccc2C1 ZINC000096069207 442017215 /nfs/dbraw/zinc/01/72/15/442017215.db2.gz OAPPMPIJOFVMPO-QGZVFWFLSA-N 1 2 338.411 1.862 40 0 EDABLO O=C(c1ccccc1)N1Cc2[nH+]ccn2C[C@@H](CN2CCCC2=O)C1 ZINC000096188455 442065122 /nfs/dbraw/zinc/06/51/22/442065122.db2.gz TYANHBARPWGDHJ-HNNXBMFYSA-N 1 2 338.411 1.778 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@H+](Cc2ccncc2)CCO3)o1 ZINC000096226650 442095262 /nfs/dbraw/zinc/09/52/62/442095262.db2.gz ANYFGRQSGTXDFW-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO Cc1nnc(N2CCC[C@@]3(C2)C[N@@H+](Cc2ccncc2)CCO3)o1 ZINC000096226650 442095264 /nfs/dbraw/zinc/09/52/64/442095264.db2.gz ANYFGRQSGTXDFW-KRWDZBQOSA-N 1 2 329.404 1.644 40 0 EDABLO O=C(c1ccsc1)N1CCc2[nH+]cc(CN3CCOCC3)n2CC1 ZINC000096196907 442071036 /nfs/dbraw/zinc/07/10/36/442071036.db2.gz XMNSTGVFDVUKFV-UHFFFAOYSA-N 1 2 346.456 1.475 40 0 EDABLO Cc1occc1C(=O)N1CCc2[nH+]cc(Cn3cncn3)n2CC1 ZINC000096196995 442071109 /nfs/dbraw/zinc/07/11/09/442071109.db2.gz PPPNDFXLOBMZKM-UHFFFAOYSA-N 1 2 326.360 1.123 40 0 EDABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N(C)C)CCO3)c1 ZINC000248047306 442878988 /nfs/dbraw/zinc/87/89/88/442878988.db2.gz WSAGVPOEPAFCCT-QGZVFWFLSA-N 1 2 348.443 1.533 40 0 EDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)nc[nH+]1 ZINC000248134260 442883575 /nfs/dbraw/zinc/88/35/75/442883575.db2.gz REXTXNAGJZRBQZ-AWEZNQCLSA-N 1 2 341.415 1.754 40 0 EDABLO CN(C)c1cc(N2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)[nH+]cn1 ZINC000248134260 442883580 /nfs/dbraw/zinc/88/35/80/442883580.db2.gz REXTXNAGJZRBQZ-AWEZNQCLSA-N 1 2 341.415 1.754 40 0 EDABLO CCOC[C@H]1CC[N@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248159693 442885274 /nfs/dbraw/zinc/88/52/74/442885274.db2.gz XAMOIPMVVSXSPK-AWEZNQCLSA-N 1 2 339.461 1.203 40 0 EDABLO CCOC[C@H]1CC[N@@H+](C)C2(CN(S(=O)(=O)c3cccnc3)C2)C1 ZINC000248159693 442885278 /nfs/dbraw/zinc/88/52/78/442885278.db2.gz XAMOIPMVVSXSPK-AWEZNQCLSA-N 1 2 339.461 1.203 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@H+](Cc3cncs3)CCN2C)c1 ZINC000257294275 443134506 /nfs/dbraw/zinc/13/45/06/443134506.db2.gz QTIVRBSAJALHPL-MRXNPFEDSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@H]2C[N@@H+](Cc3cncs3)CCN2C)c1 ZINC000257294275 443134511 /nfs/dbraw/zinc/13/45/11/443134511.db2.gz QTIVRBSAJALHPL-MRXNPFEDSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cc(C)nc([C@]2(C)CCCN2Cc2[nH+]ccn2C)n1 ZINC000257294637 443134955 /nfs/dbraw/zinc/13/49/55/443134955.db2.gz QVAFGVGXVZUVNB-KRWDZBQOSA-N 1 2 328.420 1.389 40 0 EDABLO Cn1cc[nH+]c1CN1C[C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000257297411 443136180 /nfs/dbraw/zinc/13/61/80/443136180.db2.gz RHDNTEKFKOALSW-HZPDHXFCSA-N 1 2 326.400 1.032 40 0 EDABLO COc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)CC[N@@H+]2C)cc1 ZINC000257308206 443140731 /nfs/dbraw/zinc/14/07/31/443140731.db2.gz TVVQHFUFEWJCAT-SFHVURJKSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@@H]2CN(CC(=O)N3CCCCC3)CC[N@H+]2C)cc1 ZINC000257308206 443140734 /nfs/dbraw/zinc/14/07/34/443140734.db2.gz TVVQHFUFEWJCAT-SFHVURJKSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@@H]2C[N@H+](CC(=O)N3CCCCC3)CCN2C)cc1 ZINC000257308206 443140738 /nfs/dbraw/zinc/14/07/38/443140738.db2.gz TVVQHFUFEWJCAT-SFHVURJKSA-N 1 2 331.460 1.996 40 0 EDABLO COc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCCCC3)CCN2C)cc1 ZINC000257308206 443140741 /nfs/dbraw/zinc/14/07/41/443140741.db2.gz TVVQHFUFEWJCAT-SFHVURJKSA-N 1 2 331.460 1.996 40 0 EDABLO CNC(=O)c1cccc([C@H]2CN(C(C)=O)CCN2Cc2[nH]cc[nH+]2)c1 ZINC000257315704 443144233 /nfs/dbraw/zinc/14/42/33/443144233.db2.gz VCMBVYOOGKCGRV-MRXNPFEDSA-N 1 2 341.415 1.175 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1 ZINC000257316380 443144422 /nfs/dbraw/zinc/14/44/22/443144422.db2.gz VFJLYPNLQXQBDW-HNNXBMFYSA-N 1 2 345.403 1.019 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)CCc3ccnn3C)CC[N@@H+]2C)cc1 ZINC000257228747 443125886 /nfs/dbraw/zinc/12/58/86/443125886.db2.gz FVBFDWMGZVKJOE-GOSISDBHSA-N 1 2 342.443 1.877 40 0 EDABLO COc1ccc([C@H]2CN(C(=O)CCc3ccnn3C)CC[N@H+]2C)cc1 ZINC000257228747 443125889 /nfs/dbraw/zinc/12/58/89/443125889.db2.gz FVBFDWMGZVKJOE-GOSISDBHSA-N 1 2 342.443 1.877 40 0 EDABLO O=C(c1ccnnc1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000306131525 444286300 /nfs/dbraw/zinc/28/63/00/444286300.db2.gz KHSLDENYLZFDFH-CQSZACIVSA-N 1 2 349.398 1.452 40 0 EDABLO O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3nccs3)C[C@H]12)c1ccncc1 ZINC000306140158 444287210 /nfs/dbraw/zinc/28/72/10/444287210.db2.gz UMBGXWNSKQACIP-RRFJBIMHSA-N 1 2 344.440 1.415 40 0 EDABLO O=C(NC[C@H]1CO[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]12)c1ccncc1 ZINC000306140158 444287211 /nfs/dbraw/zinc/28/72/11/444287211.db2.gz UMBGXWNSKQACIP-RRFJBIMHSA-N 1 2 344.440 1.415 40 0 EDABLO Cn1cc(CN2Cc3c[nH+]cn3[C@@H](CNC(=O)CC3CC3)C2)cn1 ZINC000306138849 444287250 /nfs/dbraw/zinc/28/72/50/444287250.db2.gz SJIPHVMVRPJEGF-INIZCTEOSA-N 1 2 328.420 1.090 40 0 EDABLO CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000575420110 447858133 /nfs/dbraw/zinc/85/81/33/447858133.db2.gz FVSCTVJOIBIKNU-STQMWFEESA-N 1 2 346.836 1.341 40 0 EDABLO COCCN1CC[C@]2(C[N@H+](CC3=CCCOC3)CC(F)(F)C2)C1=O ZINC000585093347 448675800 /nfs/dbraw/zinc/67/58/00/448675800.db2.gz QJFHRVNNTAOKRQ-INIZCTEOSA-N 1 2 344.402 1.539 40 0 EDABLO COCCN1CC[C@]2(C[N@@H+](CC3=CCCOC3)CC(F)(F)C2)C1=O ZINC000585093347 448675806 /nfs/dbraw/zinc/67/58/06/448675806.db2.gz QJFHRVNNTAOKRQ-INIZCTEOSA-N 1 2 344.402 1.539 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)s3)C2)C[N@@H+]1CC1CC1 ZINC000585109361 448689994 /nfs/dbraw/zinc/68/99/94/448689994.db2.gz LWAOAPIHLSYSLL-MRXNPFEDSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@H]1COC2(CN(Cc3ccc(C)s3)C2)C[N@H+]1CC1CC1 ZINC000585109361 448689999 /nfs/dbraw/zinc/68/99/99/448689999.db2.gz LWAOAPIHLSYSLL-MRXNPFEDSA-N 1 2 349.500 1.468 40 0 EDABLO CNC(=O)[C@H]1COC2(C[NH+](Cc3ccc(C)s3)C2)CN1CC1CC1 ZINC000585109361 448690004 /nfs/dbraw/zinc/69/00/04/448690004.db2.gz LWAOAPIHLSYSLL-MRXNPFEDSA-N 1 2 349.500 1.468 40 0 EDABLO Cc1ccc(OC[C@]2(O)COCCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC000585275358 448719824 /nfs/dbraw/zinc/71/98/24/448719824.db2.gz CZFNMIKUXYMOTB-GOSISDBHSA-N 1 2 329.400 1.740 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](COc1ncccn1)N(Cc1ccco1)C2 ZINC000585094851 448677149 /nfs/dbraw/zinc/67/71/49/448677149.db2.gz QDUPDECUBBRQFB-CYBMUJFWSA-N 1 2 325.372 1.809 40 0 EDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585280112 448728996 /nfs/dbraw/zinc/72/89/96/448728996.db2.gz AKVIATQSTASNOK-HZPDHXFCSA-N 1 2 344.415 1.896 40 0 EDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585280112 448729000 /nfs/dbraw/zinc/72/90/00/448729000.db2.gz AKVIATQSTASNOK-HZPDHXFCSA-N 1 2 344.415 1.896 40 0 EDABLO CC(=O)Nc1cc(C(=O)N2CC[C@@H](c3[nH+]c(C)cn3C)C2)ccn1 ZINC000257236620 534685409 /nfs/dbraw/zinc/68/54/09/534685409.db2.gz HCZQIXMKGKDWFP-CQSZACIVSA-N 1 2 327.388 1.712 40 0 EDABLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(Oc3cnccn3)CC2)on1 ZINC000019656784 202014874 /nfs/dbraw/zinc/01/48/74/202014874.db2.gz JVQLCFWQXWHYLQ-GFCCVEGCSA-N 1 2 331.376 1.643 40 0 EDABLO CC[C@@H](Oc1ccccc1Cl)C(=O)NCC[NH+]1CCOCC1 ZINC000030851823 202198876 /nfs/dbraw/zinc/19/88/76/202198876.db2.gz URQGFGNBVSBGJS-CQSZACIVSA-N 1 2 326.824 1.946 40 0 EDABLO CC(=O)NCc1nccnc1C1CC[NH+](Cc2cscn2)CC1 ZINC000257201126 244121681 /nfs/dbraw/zinc/12/16/81/244121681.db2.gz AGKIKBVUAYHZMZ-UHFFFAOYSA-N 1 2 331.445 1.949 40 0 EDABLO CC(=O)N1CCN(c2cc([C@H]3C[N@H+](C(C)C)CCO3)nc(C)n2)CC1 ZINC000072387158 203211886 /nfs/dbraw/zinc/21/18/86/203211886.db2.gz BMTXIVLQFOJMQS-QGZVFWFLSA-N 1 2 347.463 1.235 40 0 EDABLO CC(=O)N1CCN(c2cc([C@H]3C[N@@H+](C(C)C)CCO3)nc(C)n2)CC1 ZINC000072387158 203211890 /nfs/dbraw/zinc/21/18/90/203211890.db2.gz BMTXIVLQFOJMQS-QGZVFWFLSA-N 1 2 347.463 1.235 40 0 EDABLO Cc1nc([C@H]2CCN2Cc2c[nH+]cn2C)cc(N2CCOCC2)n1 ZINC000072387508 203212601 /nfs/dbraw/zinc/21/26/01/203212601.db2.gz NIRZCVCQVJEGBV-MRXNPFEDSA-N 1 2 328.420 1.302 40 0 EDABLO COc1ccc(Oc2nccnc2C2CC[NH+](CC(N)=O)CC2)cc1 ZINC000072361821 203206231 /nfs/dbraw/zinc/20/62/31/203206231.db2.gz UKNRPEJMRBBHKA-UHFFFAOYSA-N 1 2 342.399 1.942 40 0 EDABLO C[N@H+](Cc1cn2c(n1)CN([C@H]1CCOC1)CC2)Cc1cccnc1 ZINC000107213238 204228616 /nfs/dbraw/zinc/22/86/16/204228616.db2.gz BOOYGCLNMKLTEI-KRWDZBQOSA-N 1 2 327.432 1.515 40 0 EDABLO C[N@@H+](Cc1cn2c(n1)CN([C@H]1CCOC1)CC2)Cc1cccnc1 ZINC000107213238 204228620 /nfs/dbraw/zinc/22/86/20/204228620.db2.gz BOOYGCLNMKLTEI-KRWDZBQOSA-N 1 2 327.432 1.515 40 0 EDABLO C[C@@H]1C[C@H]1C(=O)N1CCc2[nH+]c(N3CCCC3)nc(N(C)C)c2C1 ZINC000096253998 278034624 /nfs/dbraw/zinc/03/46/24/278034624.db2.gz UVLMMARWGAEGAA-CHWSQXEVSA-N 1 2 329.448 1.684 40 0 EDABLO Cc1cn(C)c([C@H]2CCCN2C(=O)c2n[nH]c(=O)c3ccccc32)[nH+]1 ZINC000257308766 302317889 /nfs/dbraw/zinc/31/78/89/302317889.db2.gz TYAJALASACOSNL-CQSZACIVSA-N 1 2 337.383 1.942 40 0 EDABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N)nc(N)c32)cc1Cl ZINC000010339068 441113355 /nfs/dbraw/zinc/11/33/55/441113355.db2.gz LUZJQLVNYYDAPC-QMMMGPOBSA-N 1 2 346.778 1.667 40 0 EDABLO CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H](Cn3cc[nH+]c3)C2)cc1 ZINC000012219627 441129584 /nfs/dbraw/zinc/12/95/84/441129584.db2.gz KBDWYKCKOZCXSQ-OAHLLOKOSA-N 1 2 349.412 1.175 40 0 EDABLO O=C(NCCC[NH+]1CCOCC1)Nc1c[nH]c2c(F)cccc2c1=O ZINC000013565896 441160940 /nfs/dbraw/zinc/16/09/40/441160940.db2.gz YZDMHHAOXZDXBG-UHFFFAOYSA-N 1 2 348.378 1.511 40 0 EDABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(NC(C)=O)cc1 ZINC000015707163 441208689 /nfs/dbraw/zinc/20/86/89/441208689.db2.gz LFOQZROWIPXRKK-INIZCTEOSA-N 1 2 328.372 1.468 40 0 biogenic,in-vitro EDABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(NC(C)=O)cc1 ZINC000015707163 441208692 /nfs/dbraw/zinc/20/86/92/441208692.db2.gz LFOQZROWIPXRKK-INIZCTEOSA-N 1 2 328.372 1.468 40 0 biogenic,in-vitro EDABLO Cc1cc(C(=O)N2CCn3c(Cn4cccn4)c[nH+]c3[C@H]2C)no1 ZINC000096070150 442017757 /nfs/dbraw/zinc/01/77/57/442017757.db2.gz HEKYNLAABBOCEX-GFCCVEGCSA-N 1 2 326.360 1.641 40 0 EDABLO O=C([C@H]1CCOC1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158852 442048334 /nfs/dbraw/zinc/04/83/34/442048334.db2.gz UAQXPOFMMMAARU-INIZCTEOSA-N 1 2 345.443 1.312 40 0 EDABLO O=C([C@H]1CCOC1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158852 442048337 /nfs/dbraw/zinc/04/83/37/442048337.db2.gz UAQXPOFMMMAARU-INIZCTEOSA-N 1 2 345.443 1.312 40 0 EDABLO Cc1occc1C(=O)N1Cc2[nH+]ccn2C[C@H](CN2CCCC2=O)C1 ZINC000096188440 442065533 /nfs/dbraw/zinc/06/55/33/442065533.db2.gz JDHSSEDDZHMVQO-CQSZACIVSA-N 1 2 342.399 1.679 40 0 EDABLO CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@H](COc2cccnc2)C1 ZINC000096188052 442065841 /nfs/dbraw/zinc/06/58/41/442065841.db2.gz HVFHVIJJRJRKFC-AWEZNQCLSA-N 1 2 329.404 1.907 40 0 EDABLO O=C(Cc1ccccn1)N1Cc2[nH+]ccn2C[C@@H](Cn2cccn2)C1 ZINC000096188563 442065901 /nfs/dbraw/zinc/06/59/01/442065901.db2.gz KNQWFFNVHRXJFV-OAHLLOKOSA-N 1 2 336.399 1.376 40 0 EDABLO CC(C)NC(=O)N1Cc2[nH+]ccn2C[C@@H](COc2cccnc2)C1 ZINC000096188054 442066106 /nfs/dbraw/zinc/06/61/06/442066106.db2.gz HVFHVIJJRJRKFC-CQSZACIVSA-N 1 2 329.404 1.907 40 0 EDABLO O=C(c1cscn1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202260 442077291 /nfs/dbraw/zinc/07/72/91/442077291.db2.gz VSVIMNCIAPIWSE-KRWDZBQOSA-N 1 2 344.440 1.907 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239681 442098970 /nfs/dbraw/zinc/09/89/70/442098970.db2.gz RLDDBOSNDXKAFF-INIZCTEOSA-N 1 2 348.401 1.948 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239681 442098975 /nfs/dbraw/zinc/09/89/75/442098975.db2.gz RLDDBOSNDXKAFF-INIZCTEOSA-N 1 2 348.401 1.948 40 0 EDABLO CC(C)Nc1nc(N(C)C)c2c([nH+]1)CCN(C(=O)c1ccc[nH]1)C2 ZINC000096254047 442106259 /nfs/dbraw/zinc/10/62/59/442106259.db2.gz LVOOVBKUTYIUMW-UHFFFAOYSA-N 1 2 328.420 1.890 40 0 EDABLO O=C1CCCN1Cc1ncn2c1C[N@H+](Cc1ccccn1)CCC2 ZINC000096259402 442107186 /nfs/dbraw/zinc/10/71/86/442107186.db2.gz UVKKFHSJLUHMGW-UHFFFAOYSA-N 1 2 325.416 1.806 40 0 EDABLO O=C1CCCN1Cc1ncn2c1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096259402 442107190 /nfs/dbraw/zinc/10/71/90/442107190.db2.gz UVKKFHSJLUHMGW-UHFFFAOYSA-N 1 2 325.416 1.806 40 0 EDABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3cscn3)C2)nc[nH+]1 ZINC000257285285 443131353 /nfs/dbraw/zinc/13/13/53/443131353.db2.gz PGLDMKOUZCVVKF-MRXNPFEDSA-N 1 2 347.444 1.345 40 0 EDABLO Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257299274 443136840 /nfs/dbraw/zinc/13/68/40/443136840.db2.gz RPKADAWCHZKGFF-AWEZNQCLSA-N 1 2 348.472 1.971 40 0 EDABLO Cc1ccc(C[N@H+]2CCC[C@@H](Cc3n[nH]cc3S(C)(=O)=O)C2)cn1 ZINC000257299274 443136843 /nfs/dbraw/zinc/13/68/43/443136843.db2.gz RPKADAWCHZKGFF-AWEZNQCLSA-N 1 2 348.472 1.971 40 0 EDABLO CCn1cc(C(=O)NC[C@@]2(O)CCCN(c3cccc[nH+]3)C2)c(C)n1 ZINC000257285069 443129956 /nfs/dbraw/zinc/12/99/56/443129956.db2.gz PFMLUACRIVVLLN-SFHVURJKSA-N 1 2 343.431 1.368 40 0 EDABLO O=C(CCCn1cc[nH+]c1)NC[C@]1(O)CCCN(c2ccccn2)C1 ZINC000257332232 443150556 /nfs/dbraw/zinc/15/05/56/443150556.db2.gz XWIGUZZASMGVTH-GOSISDBHSA-N 1 2 343.431 1.206 40 0 EDABLO Cn1c[nH+]c([C@@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306125172 444285374 /nfs/dbraw/zinc/28/53/74/444285374.db2.gz CIGFWYXCZSOHFA-HNAYVOBHSA-N 1 2 342.443 1.385 40 0 EDABLO CCc1nc2c(c(=O)n1C)OCC[N@H+](Cc1cccnc1OC)C2 ZINC000306137823 444287323 /nfs/dbraw/zinc/28/73/23/444287323.db2.gz RHJPYVGZGCBLDJ-UHFFFAOYSA-N 1 2 330.388 1.141 40 0 EDABLO CCc1nc2c(c(=O)n1C)OCC[N@@H+](Cc1cccnc1OC)C2 ZINC000306137823 444287325 /nfs/dbraw/zinc/28/73/25/444287325.db2.gz RHJPYVGZGCBLDJ-UHFFFAOYSA-N 1 2 330.388 1.141 40 0 EDABLO Cc1ccccc1OC[C@@]1(O)COCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000585276871 448722802 /nfs/dbraw/zinc/72/28/02/448722802.db2.gz SHQDBWOELHIOFW-IBGZPJMESA-N 1 2 343.427 1.736 40 0 EDABLO Cc1ccccc1OC[C@@]1(O)COCC[N@H+](Cc2ccnc(C)n2)C1 ZINC000585276871 448722807 /nfs/dbraw/zinc/72/28/07/448722807.db2.gz SHQDBWOELHIOFW-IBGZPJMESA-N 1 2 343.427 1.736 40 0 EDABLO CC(C)CC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2ccco2)C1 ZINC000585095937 448678680 /nfs/dbraw/zinc/67/86/80/448678680.db2.gz DWWAHCNNMZMXKV-HNNXBMFYSA-N 1 2 330.388 1.722 40 0 EDABLO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](C3COC3)CC[C@@H]2O)c1 ZINC000585281861 448730499 /nfs/dbraw/zinc/73/04/99/448730499.db2.gz CWOUVWRNQGTQPZ-HOTGVXAUSA-N 1 2 327.808 1.224 40 0 EDABLO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@H+](C3COC3)CC[C@@H]2O)c1 ZINC000585281861 448730503 /nfs/dbraw/zinc/73/05/03/448730503.db2.gz CWOUVWRNQGTQPZ-HOTGVXAUSA-N 1 2 327.808 1.224 40 0 EDABLO CC(C)CN1C[C@@H](C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1=O ZINC000019447129 202006636 /nfs/dbraw/zinc/00/66/36/202006636.db2.gz LQIYXGOUIWNBCZ-INIZCTEOSA-N 1 2 340.427 1.993 40 0 EDABLO O=C(NC[C@@]1(O)CCN(c2cccc[nH+]2)C1)c1noc2c1CCCC2 ZINC000257204431 244130706 /nfs/dbraw/zinc/13/07/06/244130706.db2.gz AUOYILLSMOEJRA-SFHVURJKSA-N 1 2 342.399 1.320 40 0 EDABLO Cc1cc(N2CCC[C@H](c3ncc(C(=O)N(C)C)c(C)n3)C2)nc[nH+]1 ZINC000072378165 203209651 /nfs/dbraw/zinc/20/96/51/203209651.db2.gz PAWBEOQPZRBQAX-AWEZNQCLSA-N 1 2 340.431 1.969 40 0 EDABLO CNC(=O)[C@@H]1CN(c2cc(C)ncn2)CC[N@@H+]1Cc1ccccc1 ZINC000072365982 203207667 /nfs/dbraw/zinc/20/76/67/203207667.db2.gz MFHKEQHYNJVEQZ-INIZCTEOSA-N 1 2 325.416 1.222 40 0 EDABLO CNC(=O)[C@@H]1CN(c2cc(C)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000072365982 203207670 /nfs/dbraw/zinc/20/76/70/203207670.db2.gz MFHKEQHYNJVEQZ-INIZCTEOSA-N 1 2 325.416 1.222 40 0 EDABLO CN(C)c1cccc(C2CCN(S(=O)(=O)c3cn[nH]c3)CC2)[nH+]1 ZINC000072368759 203208042 /nfs/dbraw/zinc/20/80/42/203208042.db2.gz UBDBBUZJLXSXEA-UHFFFAOYSA-N 1 2 335.433 1.439 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000257270110 244374639 /nfs/dbraw/zinc/37/46/39/244374639.db2.gz MSVDPFHBZMPQOG-INIZCTEOSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)NCc1ccnc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000257270110 244374645 /nfs/dbraw/zinc/37/46/45/244374645.db2.gz MSVDPFHBZMPQOG-INIZCTEOSA-N 1 2 328.420 1.492 40 0 EDABLO C[N@H+](CC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1)Cc1cccnc1 ZINC000257271790 244378615 /nfs/dbraw/zinc/37/86/15/244378615.db2.gz MZUNGKXNPRJBOA-HNNXBMFYSA-N 1 2 341.415 1.415 40 0 EDABLO C[N@@H+](CC(=O)N1CCC[C@H](c2ccnc(=O)[nH]2)C1)Cc1cccnc1 ZINC000257271790 244378620 /nfs/dbraw/zinc/37/86/20/244378620.db2.gz MZUNGKXNPRJBOA-HNNXBMFYSA-N 1 2 341.415 1.415 40 0 EDABLO CCOc1ccccc1NC(=O)[C@@H]1CC(=O)NC(N2CCCCC2)=[NH+]1 ZINC000014607668 441186357 /nfs/dbraw/zinc/18/63/57/441186357.db2.gz ZISSHQFJJWBJGT-AWEZNQCLSA-N 1 2 344.415 1.754 40 0 EDABLO Cn1cccc1C(=O)N1CC[C@]2(C[C@H](Nc3cccc[nH+]3)CO2)C1 ZINC000096219087 442090669 /nfs/dbraw/zinc/09/06/69/442090669.db2.gz KXUVOLYAJGAFII-KSSFIOAISA-N 1 2 326.400 1.906 40 0 EDABLO CCc1ccc(CN2Cc3[nH]nc(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187526 442064654 /nfs/dbraw/zinc/06/46/54/442064654.db2.gz HRHHIZGKDVXZAU-UHFFFAOYSA-N 1 2 343.431 1.469 40 0 EDABLO CCc1ccc(CN2Cc3n[nH]c(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000096187526 442064656 /nfs/dbraw/zinc/06/46/56/442064656.db2.gz HRHHIZGKDVXZAU-UHFFFAOYSA-N 1 2 343.431 1.469 40 0 EDABLO C[C@H]1N(CC2CC2)C(=O)COC12CC[NH+](Cc1nccn1C)CC2 ZINC000096201562 442076189 /nfs/dbraw/zinc/07/61/89/442076189.db2.gz APOSXZOCFLRESZ-CQSZACIVSA-N 1 2 332.448 1.412 40 0 EDABLO O=S(=O)(C1CC1)N1Cc2c[nH+]cn2C[C@@H](COCC2CC2)C1 ZINC000096208038 442083773 /nfs/dbraw/zinc/08/37/73/442083773.db2.gz LGQPUDGVTNKWAZ-CYBMUJFWSA-N 1 2 325.434 1.234 40 0 EDABLO O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000153640827 442293490 /nfs/dbraw/zinc/29/34/90/442293490.db2.gz PJUAYTVIHRNVBN-CHWSQXEVSA-N 1 2 345.834 1.889 40 0 EDABLO COCC(=O)NC[C@@H]1CN(Cc2ccccc2F)Cc2c[nH+]cn21 ZINC000247847706 442870725 /nfs/dbraw/zinc/87/07/25/442870725.db2.gz QBXWVQSPQGNWQP-OAHLLOKOSA-N 1 2 332.379 1.342 40 0 EDABLO CN(C)C(=O)COCC[C@@H]1CCOC12C[NH+](Cc1ccccn1)C2 ZINC000248029219 442877917 /nfs/dbraw/zinc/87/79/17/442877917.db2.gz STWHYFYTAXFDDU-OAHLLOKOSA-N 1 2 333.432 1.167 40 0 EDABLO COc1cc(CCC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)on1 ZINC000257326219 443149178 /nfs/dbraw/zinc/14/91/78/443149178.db2.gz WWHYLLHVNOXTQI-ZDUSSCGKSA-N 1 2 330.388 1.796 40 0 EDABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)CNC(C)=O ZINC000257337446 443152667 /nfs/dbraw/zinc/15/26/67/443152667.db2.gz YSUGJIIOTMFEGS-HNNXBMFYSA-N 1 2 342.399 1.420 40 0 EDABLO Cc1nc(C)c(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)s1 ZINC000257340846 443154813 /nfs/dbraw/zinc/15/48/13/443154813.db2.gz ZHTDVNIZLRSJCP-MRXNPFEDSA-N 1 2 347.444 1.230 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cscn4)[C@H]3C2)no1 ZINC000306142560 444287914 /nfs/dbraw/zinc/28/79/14/444287914.db2.gz XDIPLWFXKSCCBP-UXIGCNINSA-N 1 2 348.428 1.316 40 0 EDABLO Cc1cc(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)c4cscn4)[C@H]3C2)no1 ZINC000306142560 444287917 /nfs/dbraw/zinc/28/79/17/444287917.db2.gz XDIPLWFXKSCCBP-UXIGCNINSA-N 1 2 348.428 1.316 40 0 EDABLO C[C@@H](CO)Nc1nc(NCc2ccccc2)cc(-c2cccnc2)[nH+]1 ZINC000329055569 444459855 /nfs/dbraw/zinc/45/98/55/444459855.db2.gz VPHQGTZCGXNXHQ-AWEZNQCLSA-N 1 2 335.411 1.787 40 0 EDABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CC3)[nH+]cn1)CC2 ZINC000329060824 444461299 /nfs/dbraw/zinc/46/12/99/444461299.db2.gz WOEYZIVWQIQTPG-UHFFFAOYSA-N 1 2 345.428 1.261 40 0 EDABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(NC3CC3)nc[nH+]1)CC2 ZINC000329060824 444461303 /nfs/dbraw/zinc/46/13/03/444461303.db2.gz WOEYZIVWQIQTPG-UHFFFAOYSA-N 1 2 345.428 1.261 40 0 EDABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)[nH+]cn1)C2 ZINC000329010101 444443951 /nfs/dbraw/zinc/44/39/51/444443951.db2.gz LYZRZUNAIFPJKC-LBPRGKRZSA-N 1 2 342.399 1.619 40 0 EDABLO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)nc[nH+]1)C2 ZINC000329010101 444443954 /nfs/dbraw/zinc/44/39/54/444443954.db2.gz LYZRZUNAIFPJKC-LBPRGKRZSA-N 1 2 342.399 1.619 40 0 EDABLO COCC(=O)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111773 448692450 /nfs/dbraw/zinc/69/24/50/448692450.db2.gz BOOSLRONIUXODG-ZDUSSCGKSA-N 1 2 334.445 1.654 40 0 EDABLO COCC(=O)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000585111773 448692451 /nfs/dbraw/zinc/69/24/51/448692451.db2.gz BOOSLRONIUXODG-ZDUSSCGKSA-N 1 2 334.445 1.654 40 0 EDABLO Cc1cccc(C[C@]2(CO)CN(C(=O)Cn3cc[nH+]c3)CCO2)c1 ZINC000585276596 448722260 /nfs/dbraw/zinc/72/22/60/448722260.db2.gz QEQHGWKFWFOZAS-GOSISDBHSA-N 1 2 329.400 1.024 40 0 EDABLO Cc1ccoc1C(=O)N1Cc2ccnn2CC[C@H]1C[NH+]1CCOCC1 ZINC000585097842 448682446 /nfs/dbraw/zinc/68/24/46/448682446.db2.gz RTLYYIKQWGLSFI-HNNXBMFYSA-N 1 2 344.415 1.531 40 0 EDABLO CO[C@H]1C[N@H+](CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585280111 448728729 /nfs/dbraw/zinc/72/87/29/448728729.db2.gz AKVIATQSTASNOK-CVEARBPZSA-N 1 2 344.415 1.896 40 0 EDABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nonc2C)CC[C@@H]1Cc1ccccc1 ZINC000585280111 448728735 /nfs/dbraw/zinc/72/87/35/448728735.db2.gz AKVIATQSTASNOK-CVEARBPZSA-N 1 2 344.415 1.896 40 0 EDABLO CC(C)c1ccc(CN2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1 ZINC000585291484 448736639 /nfs/dbraw/zinc/73/66/39/448736639.db2.gz PDQDBOILDHWBRH-QRVBRYPASA-N 1 2 334.460 1.048 40 0 EDABLO CCc1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)no1 ZINC000257223802 536098967 /nfs/dbraw/zinc/09/89/67/536098967.db2.gz DYYBSEXILNMMAT-QGZVFWFLSA-N 1 2 330.388 1.345 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc[nH+]1 ZINC000257256746 536145006 /nfs/dbraw/zinc/14/50/06/536145006.db2.gz KMSYTYHLIRQCCI-OAHLLOKOSA-N 1 2 338.477 1.668 40 0 EDABLO CC[NH+]1CCN(C(=O)c2cn3c4c(cccc4c2=O)CCC3)CC1 ZINC000022235465 212284148 /nfs/dbraw/zinc/28/41/48/212284148.db2.gz GZHLCIFVQLKVSV-UHFFFAOYSA-N 1 2 325.412 1.725 40 0 EDABLO CC(=O)N1CC[N@H+](CC(=O)N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000257200929 244116943 /nfs/dbraw/zinc/11/69/43/244116943.db2.gz AFJJJAVTKKSLQZ-GOSISDBHSA-N 1 2 329.444 1.904 40 0 EDABLO CC(=O)N1CC[N@@H+](CC(=O)N2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000257200929 244116947 /nfs/dbraw/zinc/11/69/47/244116947.db2.gz AFJJJAVTKKSLQZ-GOSISDBHSA-N 1 2 329.444 1.904 40 0 EDABLO CCCn1ccc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)n1 ZINC000257243315 244250477 /nfs/dbraw/zinc/25/04/77/244250477.db2.gz IGJCPFNAPRJOGA-SFHVURJKSA-N 1 2 343.431 1.402 40 0 EDABLO Cc1cccnc1C[N@@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257242266 244246628 /nfs/dbraw/zinc/24/66/28/244246628.db2.gz IBSORHVNKQFAMU-AWEZNQCLSA-N 1 2 348.472 1.971 40 0 EDABLO Cc1cccnc1C[N@H+]1CCC[C@@H](Cc2n[nH]cc2S(C)(=O)=O)C1 ZINC000257242266 244246633 /nfs/dbraw/zinc/24/66/33/244246633.db2.gz IBSORHVNKQFAMU-AWEZNQCLSA-N 1 2 348.472 1.971 40 0 EDABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)Cn1cccn1 ZINC000257248179 244264409 /nfs/dbraw/zinc/26/44/09/244264409.db2.gz JCMOJROYCXFZAV-OAHLLOKOSA-N 1 2 337.383 1.872 40 0 EDABLO CC(=O)N1CC[N@H+](Cc2ccc(Cl)cc2F)C[C@@H](C(N)=O)C1 ZINC000257329201 244544549 /nfs/dbraw/zinc/54/45/49/244544549.db2.gz XIXSGMJLWAKVFD-GFCCVEGCSA-N 1 2 327.787 1.245 40 0 EDABLO CC(=O)N1CC[N@@H+](Cc2ccc(Cl)cc2F)C[C@@H](C(N)=O)C1 ZINC000257329201 244544555 /nfs/dbraw/zinc/54/45/55/244544555.db2.gz XIXSGMJLWAKVFD-GFCCVEGCSA-N 1 2 327.787 1.245 40 0 EDABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000005001419 210357024 /nfs/dbraw/zinc/35/70/24/210357024.db2.gz JJSHNFAVGNHMBO-CQSZACIVSA-N 1 2 345.472 1.772 40 0 EDABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000005001419 210357027 /nfs/dbraw/zinc/35/70/27/210357027.db2.gz JJSHNFAVGNHMBO-CQSZACIVSA-N 1 2 345.472 1.772 40 0 EDABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000005001420 210356726 /nfs/dbraw/zinc/35/67/26/210356726.db2.gz JJSHNFAVGNHMBO-AWEZNQCLSA-N 1 2 345.472 1.772 40 0 EDABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000005001420 210356732 /nfs/dbraw/zinc/35/67/32/210356732.db2.gz JJSHNFAVGNHMBO-AWEZNQCLSA-N 1 2 345.472 1.772 40 0 EDABLO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 ZINC000017071841 441237009 /nfs/dbraw/zinc/23/70/09/441237009.db2.gz ZSBQCLDGBGNXFW-GOEBONIOSA-N 1 2 344.411 1.902 40 0 EDABLO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccccc3C)C2=O)C1 ZINC000017071841 441237011 /nfs/dbraw/zinc/23/70/11/441237011.db2.gz ZSBQCLDGBGNXFW-GOEBONIOSA-N 1 2 344.411 1.902 40 0 EDABLO Cn1c[nH+]c2c1[C@H](COCC1CCOCC1)CN(c1ncccn1)C2 ZINC000096044986 441994207 /nfs/dbraw/zinc/99/42/07/441994207.db2.gz AXMQIIUMBZGBGM-HNNXBMFYSA-N 1 2 343.431 1.757 40 0 EDABLO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1)N1CCCCO1 ZINC000096057396 442004388 /nfs/dbraw/zinc/00/43/88/442004388.db2.gz NCZHVTOKCFNFRX-MCIONIFRSA-N 1 2 337.445 1.819 40 0 EDABLO O=C([C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1)N1CCCCO1 ZINC000096057396 442004395 /nfs/dbraw/zinc/00/43/95/442004395.db2.gz NCZHVTOKCFNFRX-MCIONIFRSA-N 1 2 337.445 1.819 40 0 EDABLO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096186942 442064544 /nfs/dbraw/zinc/06/45/44/442064544.db2.gz UXXJSJIYSGHIJW-UPJWGTAASA-N 1 2 325.434 1.028 40 0 EDABLO COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096186942 442064548 /nfs/dbraw/zinc/06/45/48/442064548.db2.gz UXXJSJIYSGHIJW-UPJWGTAASA-N 1 2 325.434 1.028 40 0 EDABLO O=C(c1ccncc1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202262 442077864 /nfs/dbraw/zinc/07/78/64/442077864.db2.gz GLSQBIOZZDJWDG-IBGZPJMESA-N 1 2 338.411 1.846 40 0 EDABLO Cn1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CC3)C2)n1 ZINC000096207682 442082385 /nfs/dbraw/zinc/08/23/85/442082385.db2.gz UCGJNNOMEPOFSD-CQSZACIVSA-N 1 2 329.404 1.315 40 0 EDABLO O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCCO1 ZINC000096246503 442101908 /nfs/dbraw/zinc/10/19/08/442101908.db2.gz WWVMGOGSMWXFMT-BBWFWOEESA-N 1 2 334.391 1.530 40 0 EDABLO O=C(c1ccc(F)cc1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCO1 ZINC000096246503 442101915 /nfs/dbraw/zinc/10/19/15/442101915.db2.gz WWVMGOGSMWXFMT-BBWFWOEESA-N 1 2 334.391 1.530 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccco1)c1cnccn1 ZINC000247504201 442858583 /nfs/dbraw/zinc/85/85/83/442858583.db2.gz QUGJCTWPLFNNTM-XKQJLSEDSA-N 1 2 342.399 1.479 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccco1)c1cnccn1 ZINC000247504201 442858588 /nfs/dbraw/zinc/85/85/88/442858588.db2.gz QUGJCTWPLFNNTM-XKQJLSEDSA-N 1 2 342.399 1.479 40 0 EDABLO CN(C)C(=O)COCC[C@H]1CCOC2(C[NH+](Cc3ccncc3)C2)C1 ZINC000247958033 442873880 /nfs/dbraw/zinc/87/38/80/442873880.db2.gz DKNPAMOTCQICAH-INIZCTEOSA-N 1 2 347.459 1.558 40 0 EDABLO Cn1nccc1C(=O)NCC[C@H]1CCOC12C[NH+](Cc1ccco1)C2 ZINC000248019436 442877489 /nfs/dbraw/zinc/87/74/89/442877489.db2.gz HFYWGASZGIBICT-AWEZNQCLSA-N 1 2 344.415 1.424 40 0 EDABLO Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](C(=O)N2CCCCO2)C1 ZINC000248046852 442878956 /nfs/dbraw/zinc/87/89/56/442878956.db2.gz QQQBTEUARUKMOS-CQSZACIVSA-N 1 2 347.444 1.759 40 0 EDABLO C[C@@H]1CC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000184646704 443054331 /nfs/dbraw/zinc/05/43/31/443054331.db2.gz QILNNFKIEOVKTR-FKEKPDDDSA-N 1 2 332.448 1.865 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3cncs3)CCN2C)c1 ZINC000257294274 443134863 /nfs/dbraw/zinc/13/48/63/443134863.db2.gz QTIVRBSAJALHPL-INIZCTEOSA-N 1 2 330.457 1.991 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3cncs3)CCN2C)c1 ZINC000257294274 443134866 /nfs/dbraw/zinc/13/48/66/443134866.db2.gz QTIVRBSAJALHPL-INIZCTEOSA-N 1 2 330.457 1.991 40 0 EDABLO Cc1cn(C)c([C@@H]2CCN(C(=O)CCn3nnc4ccccc43)C2)[nH+]1 ZINC000257307910 443140441 /nfs/dbraw/zinc/14/04/41/443140441.db2.gz TUQIYGSWXLMPTD-CQSZACIVSA-N 1 2 338.415 1.879 40 0 EDABLO Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc(-n4cccn4)nc3)C2)[nH+]1 ZINC000257311628 443142676 /nfs/dbraw/zinc/14/26/76/443142676.db2.gz UKJFGWRSUFUUIM-HNNXBMFYSA-N 1 2 336.399 1.939 40 0 EDABLO Cc1csc(C(=O)N(C)C[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000257280088 443127990 /nfs/dbraw/zinc/12/79/90/443127990.db2.gz OJJSUMYZLNVJAK-KRWDZBQOSA-N 1 2 346.456 1.868 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](O)[C@@H](Oc2ccc(F)cc2)CC1 ZINC000257281383 443128082 /nfs/dbraw/zinc/12/80/82/443128082.db2.gz OOYCBMTWQARFQC-IRXDYDNUSA-N 1 2 347.390 1.843 40 0 EDABLO Cn1c[nH+]c([C@H]2CN(C(=O)C3CC3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306125171 444285066 /nfs/dbraw/zinc/28/50/66/444285066.db2.gz CIGFWYXCZSOHFA-DNVCBOLYSA-N 1 2 342.443 1.385 40 0 EDABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)[nH+]cn1)C2 ZINC000329031229 444451562 /nfs/dbraw/zinc/45/15/62/444451562.db2.gz QHWDFPWCMGNIRU-STQMWFEESA-N 1 2 328.416 1.885 40 0 EDABLO C[C@H](O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)nc[nH+]1)C2 ZINC000329031229 444451564 /nfs/dbraw/zinc/45/15/64/444451564.db2.gz QHWDFPWCMGNIRU-STQMWFEESA-N 1 2 328.416 1.885 40 0 EDABLO C[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575419530 447856492 /nfs/dbraw/zinc/85/64/92/447856492.db2.gz CLSJWHUXBNNPBD-SJORKVTESA-N 1 2 331.437 1.866 40 0 EDABLO C[N@@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000575419530 447856497 /nfs/dbraw/zinc/85/64/97/447856497.db2.gz CLSJWHUXBNNPBD-SJORKVTESA-N 1 2 331.437 1.866 40 0 EDABLO Cn1c[nH+]c2c1C[C@H](CN1CCC(F)(F)C1)N(Cc1cn[nH]c1)C2 ZINC000585094599 448677472 /nfs/dbraw/zinc/67/74/72/448677472.db2.gz DOLHPALTHDZCGH-CYBMUJFWSA-N 1 2 336.390 1.411 40 0 EDABLO CC(=O)N1CCCC[C@H]2CN(C(=O)/C=C/C[NH+]3CCOCC3)CC[C@H]21 ZINC000585291169 448735902 /nfs/dbraw/zinc/73/59/02/448735902.db2.gz MMZVIYBNSYTFDO-UKZKYTFVSA-N 1 2 349.475 1.124 40 0 EDABLO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2OC(C)C)CCN1C(C)=O ZINC000257233585 536400372 /nfs/dbraw/zinc/40/03/72/536400372.db2.gz GPUQVJQMRAJILZ-MRXNPFEDSA-N 1 2 333.432 1.253 40 0 EDABLO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2OC(C)C)CCN1C(C)=O ZINC000257233585 536400374 /nfs/dbraw/zinc/40/03/74/536400374.db2.gz GPUQVJQMRAJILZ-MRXNPFEDSA-N 1 2 333.432 1.253 40 0 EDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@H+](CC(N)=O)C3)n2)n1 ZINC000072383088 216184273 /nfs/dbraw/zinc/18/42/73/216184273.db2.gz IEMYYCIGCZVQIJ-ZDUSSCGKSA-N 1 2 341.419 1.210 40 0 EDABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@@H+](CC(N)=O)C3)n2)n1 ZINC000072383088 216184275 /nfs/dbraw/zinc/18/42/75/216184275.db2.gz IEMYYCIGCZVQIJ-ZDUSSCGKSA-N 1 2 341.419 1.210 40 0 EDABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(C(=O)c1ccnnc1)C2 ZINC000096044920 294467319 /nfs/dbraw/zinc/46/73/19/294467319.db2.gz UULGLJKLYZRZKZ-AWEZNQCLSA-N 1 2 327.388 1.376 40 0 EDABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C[C@]12CCCO2 ZINC000257218601 244175141 /nfs/dbraw/zinc/17/51/41/244175141.db2.gz DDTKYWUZVFDGSU-SJLPKXTDSA-N 1 2 347.415 1.463 40 0 EDABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C[C@]12CCCO2 ZINC000257218601 244175149 /nfs/dbraw/zinc/17/51/49/244175149.db2.gz DDTKYWUZVFDGSU-SJLPKXTDSA-N 1 2 347.415 1.463 40 0 EDABLO Cc1ccc(C(=O)N(C)C[C@]2(O)CCN(c3cc(C)[nH+]cn3)C2)cc1 ZINC000257291176 244435173 /nfs/dbraw/zinc/43/51/73/244435173.db2.gz QFZBVUDLNYVJPM-LJQANCHMSA-N 1 2 340.427 1.807 40 0 EDABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3cccnc3)C2)OC1)N1CCCC1 ZINC000306131446 257920636 /nfs/dbraw/zinc/92/06/36/257920636.db2.gz KEONJAQBAUHLRC-QGZVFWFLSA-N 1 2 344.459 1.868 40 0 EDABLO CCOc1cc2c(cc1C[N@@H+]1CCn3c(CO)nnc3C1)O[C@H](C)C2 ZINC000057822850 441136342 /nfs/dbraw/zinc/13/63/42/441136342.db2.gz FIKJMUZQHKAJKQ-GFCCVEGCSA-N 1 2 344.415 1.508 40 0 EDABLO CCOc1cc2c(cc1C[N@H+]1CCn3c(CO)nnc3C1)O[C@H](C)C2 ZINC000057822850 441136344 /nfs/dbraw/zinc/13/63/44/441136344.db2.gz FIKJMUZQHKAJKQ-GFCCVEGCSA-N 1 2 344.415 1.508 40 0 EDABLO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC3(CC2)OCCO3)C1=O ZINC000017946088 441245882 /nfs/dbraw/zinc/24/58/82/441245882.db2.gz LNGIJQBVTRHQEM-AWEZNQCLSA-N 1 2 346.383 1.166 40 0 EDABLO Cn1cc[nH+]c1CN1C[C@@H](NC(=O)c2ccsc2)[C@H]2COC[C@H]21 ZINC000096185138 442059430 /nfs/dbraw/zinc/05/94/30/442059430.db2.gz RVIRWGDVCQAXEH-MGPQQGTHSA-N 1 2 332.429 1.111 40 0 EDABLO C[N@H+](Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2)Cc1cccnc1 ZINC000096197492 442071880 /nfs/dbraw/zinc/07/18/80/442071880.db2.gz BOOYGCLNMKLTEI-QGZVFWFLSA-N 1 2 327.432 1.515 40 0 EDABLO C[N@@H+](Cc1cn2c(n1)CN([C@@H]1CCOC1)CC2)Cc1cccnc1 ZINC000096197492 442071886 /nfs/dbraw/zinc/07/18/86/442071886.db2.gz BOOYGCLNMKLTEI-QGZVFWFLSA-N 1 2 327.432 1.515 40 0 EDABLO O=C(Cc1cccs1)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCCO1 ZINC000096246488 442102311 /nfs/dbraw/zinc/10/23/11/442102311.db2.gz SLYIHXLODGLIEW-BMFZPTHFSA-N 1 2 336.457 1.381 40 0 EDABLO O=C(Cc1cccs1)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCO1 ZINC000096246488 442102313 /nfs/dbraw/zinc/10/23/13/442102313.db2.gz SLYIHXLODGLIEW-BMFZPTHFSA-N 1 2 336.457 1.381 40 0 EDABLO CC1(C)[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)[C@H]2CCO[C@@H]21 ZINC000097096558 442167368 /nfs/dbraw/zinc/16/73/68/442167368.db2.gz DEHVXHIQZUXYGN-IKGGRYGDSA-N 1 2 344.459 1.722 40 0 EDABLO COc1cccc(-c2noc([C@H]([NH3+])CCS(C)(=O)=O)n2)c1OC ZINC000169676233 442226520 /nfs/dbraw/zinc/22/65/20/442226520.db2.gz JAKNQQMPWBLZMT-SNVBAGLBSA-N 1 2 341.389 1.188 40 0 EDABLO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000247516163 442860328 /nfs/dbraw/zinc/86/03/28/442860328.db2.gz JXPGOYYHUDWEIF-GFCCVEGCSA-N 1 2 340.474 1.126 40 0 EDABLO CS(=O)(=O)NC[C@H]1Cn2nccc2C[N@@H+](Cc2cccs2)C1 ZINC000247516163 442860330 /nfs/dbraw/zinc/86/03/30/442860330.db2.gz JXPGOYYHUDWEIF-GFCCVEGCSA-N 1 2 340.474 1.126 40 0 EDABLO CNC(=O)[C@@H]1CN(C(=O)c2ccc(OC)c(Cl)c2)Cc2c[nH+]cn21 ZINC000247964782 442875658 /nfs/dbraw/zinc/87/56/58/442875658.db2.gz RXBWGMLCFMIVRJ-ZDUSSCGKSA-N 1 2 348.790 1.488 40 0 EDABLO O=C(c1cncs1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000257303871 443138969 /nfs/dbraw/zinc/13/89/69/443138969.db2.gz SJDATHKJCRSFDR-HUUCEWRRSA-N 1 2 329.425 1.387 40 0 EDABLO O=C(c1cncs1)N1C[C@@H](O)[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000257303871 443138972 /nfs/dbraw/zinc/13/89/72/443138972.db2.gz SJDATHKJCRSFDR-HUUCEWRRSA-N 1 2 329.425 1.387 40 0 EDABLO O=C(CCCn1cc[nH+]c1)N1CCO[C@H](CCc2ccncn2)C1 ZINC000257304380 443139350 /nfs/dbraw/zinc/13/93/50/443139350.db2.gz SLJBOPXMNBSEQV-MRXNPFEDSA-N 1 2 329.404 1.314 40 0 EDABLO CNC(=O)[C@]1(c2cnccn2)CCCN1Cc1[nH+]ccn1C(C)C ZINC000257275136 443126765 /nfs/dbraw/zinc/12/67/65/443126765.db2.gz NOBBQAHQQOKBIA-QGZVFWFLSA-N 1 2 328.420 1.491 40 0 EDABLO C[N@@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000306130283 444285732 /nfs/dbraw/zinc/28/57/32/444285732.db2.gz JBGKKFDECJYLBY-HUUCEWRRSA-N 1 2 345.424 1.348 40 0 EDABLO C[N@H+]1C[C@H]2Oc3ncccc3S(=O)(=O)N(Cc3ccccc3)[C@@H]2C1 ZINC000306130283 444285734 /nfs/dbraw/zinc/28/57/34/444285734.db2.gz JBGKKFDECJYLBY-HUUCEWRRSA-N 1 2 345.424 1.348 40 0 EDABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2CCOC2)CC3)cc1 ZINC000585111275 448691519 /nfs/dbraw/zinc/69/15/19/448691519.db2.gz MGRHMQPENSTYLO-OAHLLOKOSA-N 1 2 341.411 1.980 40 0 EDABLO COC[C@@]1(CC(N)=O)C[N@H+](Cc2ccc(Cl)c(F)c2)CCO1 ZINC000585277056 448723128 /nfs/dbraw/zinc/72/31/28/448723128.db2.gz FODFLHVYTIICID-OAHLLOKOSA-N 1 2 330.787 1.572 40 0 EDABLO COC[C@@]1(CC(N)=O)C[N@@H+](Cc2ccc(Cl)c(F)c2)CCO1 ZINC000585277056 448723130 /nfs/dbraw/zinc/72/31/30/448723130.db2.gz FODFLHVYTIICID-OAHLLOKOSA-N 1 2 330.787 1.572 40 0 EDABLO CCc1cc(C(=O)NC[C@]2(O)CCCN(c3cccc[nH+]3)C2)no1 ZINC000257248747 536124057 /nfs/dbraw/zinc/12/40/57/536124057.db2.gz JEZWFBIWHLDFOM-QGZVFWFLSA-N 1 2 330.388 1.393 40 0 EDABLO OCc1ccc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)o1 ZINC000067898256 215246170 /nfs/dbraw/zinc/24/61/70/215246170.db2.gz YNFLRDHVPSYBIZ-UHFFFAOYSA-N 1 2 341.367 1.923 40 0 biogenic,in-vitro EDABLO Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4)C[C@H]23)nn1 ZINC000257265991 244361915 /nfs/dbraw/zinc/36/19/15/244361915.db2.gz MBDUQKYSYWVOHO-OWCLPIDISA-N 1 2 340.431 1.355 40 0 EDABLO O=C(Cc1ccsc1)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257264833 244357955 /nfs/dbraw/zinc/35/79/55/244357955.db2.gz LWDTYMQHUZDVCV-KRWDZBQOSA-N 1 2 331.441 1.833 40 0 EDABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2)C1 ZINC000019747656 212061656 /nfs/dbraw/zinc/06/16/56/212061656.db2.gz XWJRHEMARMQYGH-QGZVFWFLSA-N 1 2 340.427 1.987 40 0 EDABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2)C1 ZINC000019747656 212061657 /nfs/dbraw/zinc/06/16/57/212061657.db2.gz XWJRHEMARMQYGH-QGZVFWFLSA-N 1 2 340.427 1.987 40 0 EDABLO COc1cccc(C[N@@H+]2CCN(C(=O)Cn3ccnc3)[C@@H](C)C2)c1 ZINC000019575602 212045844 /nfs/dbraw/zinc/04/58/44/212045844.db2.gz VUMFHXUOABZVQJ-HNNXBMFYSA-N 1 2 328.416 1.625 40 0 EDABLO COc1cccc(C[N@H+]2CCN(C(=O)Cn3ccnc3)[C@@H](C)C2)c1 ZINC000019575602 212045848 /nfs/dbraw/zinc/04/58/48/212045848.db2.gz VUMFHXUOABZVQJ-HNNXBMFYSA-N 1 2 328.416 1.625 40 0 EDABLO CCn1nc2c(c1C(=O)N1CC[NH+](CCOC(C)C)CC1)CCCC2 ZINC000019524092 212038470 /nfs/dbraw/zinc/03/84/70/212038470.db2.gz IYCUDUGZXYRJRZ-UHFFFAOYSA-N 1 2 348.491 1.965 40 0 EDABLO O=C(c1cscn1)N1C[C@@H]([NH+]2CCOCC2)[C@H]2OCCC[C@H]2C1 ZINC000096040617 218523190 /nfs/dbraw/zinc/52/31/90/218523190.db2.gz ZNMCBRUOZFTEOO-CFVMTHIKSA-N 1 2 337.445 1.095 40 0 EDABLO O=C(O[C@@H]1CCC[N@@H+](CO)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000005065137 210381987 /nfs/dbraw/zinc/38/19/87/210381987.db2.gz ZSUSDUDUJIQWJP-GOSISDBHSA-N 1 2 341.407 1.880 40 0 EDABLO O=C(O[C@@H]1CCC[N@H+](CO)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000005065137 210381990 /nfs/dbraw/zinc/38/19/90/210381990.db2.gz ZSUSDUDUJIQWJP-GOSISDBHSA-N 1 2 341.407 1.880 40 0 EDABLO c1cncc(C[N@@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096049149 441997101 /nfs/dbraw/zinc/99/71/01/441997101.db2.gz AMIZKFRAJSQSQS-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO c1cncc(C[N@H+]2CCO[C@]3(CCCN(c4cnccn4)C3)C2)c1 ZINC000096049149 441997107 /nfs/dbraw/zinc/99/71/07/441997107.db2.gz AMIZKFRAJSQSQS-GOSISDBHSA-N 1 2 325.416 1.743 40 0 EDABLO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@H+](Cc1ccco1)C2 ZINC000096051261 441999459 /nfs/dbraw/zinc/99/94/59/441999459.db2.gz HQFNXUKBXBPLFJ-IBGZPJMESA-N 1 2 342.395 1.914 40 0 EDABLO O=C1CO[C@@]2(CN1c1ccccc1)COCC[N@@H+](Cc1ccco1)C2 ZINC000096051261 441999466 /nfs/dbraw/zinc/99/94/66/441999466.db2.gz HQFNXUKBXBPLFJ-IBGZPJMESA-N 1 2 342.395 1.914 40 0 EDABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cs1 ZINC000096062505 442011630 /nfs/dbraw/zinc/01/16/30/442011630.db2.gz HPJCEZRLQUOAQH-KRWDZBQOSA-N 1 2 345.472 1.970 40 0 EDABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cs1 ZINC000096062505 442011634 /nfs/dbraw/zinc/01/16/34/442011634.db2.gz HPJCEZRLQUOAQH-KRWDZBQOSA-N 1 2 345.472 1.970 40 0 EDABLO O=C(c1ccc[nH]1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1cccnc1 ZINC000096070036 442017403 /nfs/dbraw/zinc/01/74/03/442017403.db2.gz WJMVIANCGIQLLY-MSOLQXFVSA-N 1 2 340.427 1.568 40 0 EDABLO CCc1ccc(C[N@@H+]2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 ZINC000096186854 442062532 /nfs/dbraw/zinc/06/25/32/442062532.db2.gz GUGZQDHANDCQLQ-ILXRZTDVSA-N 1 2 328.434 1.123 40 0 EDABLO CCc1ccc(C[N@H+]2C[C@@H](NS(C)(=O)=O)[C@@H]3OCCC[C@@H]32)o1 ZINC000096186854 442062540 /nfs/dbraw/zinc/06/25/40/442062540.db2.gz GUGZQDHANDCQLQ-ILXRZTDVSA-N 1 2 328.434 1.123 40 0 EDABLO O=C(NC1CCCC1)N1Cc2[nH+]ccn2C[C@H](Cn2cccn2)C1 ZINC000096188601 442065672 /nfs/dbraw/zinc/06/56/72/442065672.db2.gz NIOMFOXOOBHRGS-AWEZNQCLSA-N 1 2 328.420 1.864 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cn1 ZINC000096226503 442095394 /nfs/dbraw/zinc/09/53/94/442095394.db2.gz PCVOEKQNNQEDFY-KRWDZBQOSA-N 1 2 328.420 1.082 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)cn1 ZINC000096226503 442095398 /nfs/dbraw/zinc/09/53/98/442095398.db2.gz PCVOEKQNNQEDFY-KRWDZBQOSA-N 1 2 328.420 1.082 40 0 EDABLO Cc1cc(C[N@@H+]2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)no1 ZINC000096206894 442080556 /nfs/dbraw/zinc/08/05/56/442080556.db2.gz YRDPWLBIESCARA-SJLPKXTDSA-N 1 2 341.411 1.956 40 0 EDABLO Cc1cc(C[N@H+]2C[C@@H]3CN(C(=O)c4ccccc4)CCO[C@@H]3C2)no1 ZINC000096206894 442080559 /nfs/dbraw/zinc/08/05/59/442080559.db2.gz YRDPWLBIESCARA-SJLPKXTDSA-N 1 2 341.411 1.956 40 0 EDABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)COc2ccccc2C)C1 ZINC000096208278 442083153 /nfs/dbraw/zinc/08/31/53/442083153.db2.gz DQKCKAUUCSMVFW-HNNXBMFYSA-N 1 2 329.400 1.875 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@@H+]2Cc1ccoc1)c1ccnnc1 ZINC000247489377 442857056 /nfs/dbraw/zinc/85/70/56/442857056.db2.gz LWFRJOUVZXAJPX-UAGQMJEPSA-N 1 2 342.399 1.479 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCC[N@H+]2Cc1ccoc1)c1ccnnc1 ZINC000247489377 442857058 /nfs/dbraw/zinc/85/70/58/442857058.db2.gz LWFRJOUVZXAJPX-UAGQMJEPSA-N 1 2 342.399 1.479 40 0 EDABLO CS(=O)(=O)NC[C@H]1CCC2(C[NH+](Cc3cccs3)C2)OC1 ZINC000247546722 442861848 /nfs/dbraw/zinc/86/18/48/442861848.db2.gz UTAPYBIPDRRARF-GFCCVEGCSA-N 1 2 330.475 1.278 40 0 EDABLO O=C(CO[C@H]1CCOC2(C[NH+](Cc3cccnc3)C2)C1)N1CCCC1 ZINC000247742171 442867506 /nfs/dbraw/zinc/86/75/06/442867506.db2.gz OVHPVDOCELCQHH-KRWDZBQOSA-N 1 2 345.443 1.454 40 0 EDABLO CCn1cc(C[N@@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c(C)n1 ZINC000257278543 443127061 /nfs/dbraw/zinc/12/70/61/443127061.db2.gz OCQQBHZMNVKOOM-KRWDZBQOSA-N 1 2 342.447 1.975 40 0 EDABLO CCn1cc(C[N@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c(C)n1 ZINC000257278543 443127063 /nfs/dbraw/zinc/12/70/63/443127063.db2.gz OCQQBHZMNVKOOM-KRWDZBQOSA-N 1 2 342.447 1.975 40 0 EDABLO Cc1ncoc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257284384 443130046 /nfs/dbraw/zinc/13/00/46/443130046.db2.gz PCLYINRJQYLJJU-KRWDZBQOSA-N 1 2 330.388 1.482 40 0 EDABLO Cc1c[nH]c([C@@H]2COCCN2C(=O)c2n[nH]c(=O)c3ccccc32)[nH+]1 ZINC000257330482 443150249 /nfs/dbraw/zinc/15/02/49/443150249.db2.gz XOPUBQXWRCWOSY-ZDUSSCGKSA-N 1 2 339.355 1.168 40 0 EDABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc[nH+]1 ZINC000257338465 443153852 /nfs/dbraw/zinc/15/38/52/443153852.db2.gz YXMVTWWWANQANI-CYBMUJFWSA-N 1 2 327.388 1.251 40 0 EDABLO CCn1cc(C[N@@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 ZINC000306138531 444287046 /nfs/dbraw/zinc/28/70/46/444287046.db2.gz RZXDPLMPCOQTAL-CYBMUJFWSA-N 1 2 342.447 1.497 40 0 EDABLO CCn1cc(C[N@H+]2CCn3cc(CC(=O)NC4CC4)nc3[C@H]2C)cn1 ZINC000306138531 444287049 /nfs/dbraw/zinc/28/70/49/444287049.db2.gz RZXDPLMPCOQTAL-CYBMUJFWSA-N 1 2 342.447 1.497 40 0 EDABLO Cc1cc(C[N@@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269506 448718097 /nfs/dbraw/zinc/71/80/97/448718097.db2.gz XNHAPZRNKOSEAN-GOSISDBHSA-N 1 2 332.400 1.934 40 0 EDABLO Cc1cc(C[N@H+]2CCOC[C@@](O)(COc3cccc(C)c3)C2)no1 ZINC000585269506 448718102 /nfs/dbraw/zinc/71/81/02/448718102.db2.gz XNHAPZRNKOSEAN-GOSISDBHSA-N 1 2 332.400 1.934 40 0 EDABLO CN(C)C(=O)C[C@@]1(O)COCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585280607 448730396 /nfs/dbraw/zinc/73/03/96/448730396.db2.gz LNARZHKWQHVAFX-INIZCTEOSA-N 1 2 344.814 1.521 40 0 EDABLO CN(C)C(=O)C[C@@]1(O)COCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000585280607 448730401 /nfs/dbraw/zinc/73/04/01/448730401.db2.gz LNARZHKWQHVAFX-INIZCTEOSA-N 1 2 344.814 1.521 40 0 EDABLO CCCn1cc(CN2CCO[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)cn1 ZINC000257224930 535610072 /nfs/dbraw/zinc/61/00/72/535610072.db2.gz FDZZFECISDJBBH-INIZCTEOSA-N 1 2 332.452 1.651 40 0 EDABLO Cn1cc[nH+]c1CN1C[C@H]2CN(C(=O)c3ccccc3)CCN2C1=O ZINC000085436123 282744390 /nfs/dbraw/zinc/74/43/90/282744390.db2.gz XTBVTRNKPJDDJG-OAHLLOKOSA-N 1 2 339.399 1.182 40 0 biogenic,in-vitro EDABLO CC(C)C(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000072370842 216177236 /nfs/dbraw/zinc/17/72/36/216177236.db2.gz BKZHZPJZVHIXKN-CQSZACIVSA-N 1 2 327.388 1.677 40 0 EDABLO CC[NH+]1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000257242185 244249176 /nfs/dbraw/zinc/24/91/76/244249176.db2.gz IBKZBJMDXMWHSG-IAGOWNOFSA-N 1 2 334.416 1.293 40 0 EDABLO CC[NH+]1CCC([N@H+]2C[C@@H](O)[C@H](Oc3ccc(C(=O)[O-])cc3)C2)CC1 ZINC000257242185 244249181 /nfs/dbraw/zinc/24/91/81/244249181.db2.gz IBKZBJMDXMWHSG-IAGOWNOFSA-N 1 2 334.416 1.293 40 0 EDABLO CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257238768 244236372 /nfs/dbraw/zinc/23/63/72/244236372.db2.gz HMLCVLVHCAWLGS-NSHDSACASA-N 1 2 329.360 1.024 40 0 EDABLO CNc1nccnc1C[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000257260732 244348162 /nfs/dbraw/zinc/34/81/62/244348162.db2.gz LECJILIZDFCWCB-OAHLLOKOSA-N 1 2 342.447 1.976 40 0 EDABLO CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2C(=O)CCCn1cc[nH+]c1 ZINC000257294450 244443732 /nfs/dbraw/zinc/44/37/32/244443732.db2.gz QUFIHFWYEJUBBA-DLBZAZTESA-N 1 2 332.448 1.913 40 0 EDABLO CCN(CC)c1ncc(C[N@@H+]2CCO[C@](C)(C(=O)NC)C2)s1 ZINC000019746927 212061105 /nfs/dbraw/zinc/06/11/05/212061105.db2.gz HPGDACLWROFHLD-HNNXBMFYSA-N 1 2 326.466 1.326 40 0 EDABLO CCN(CC)c1ncc(C[N@H+]2CCO[C@](C)(C(=O)NC)C2)s1 ZINC000019746927 212061107 /nfs/dbraw/zinc/06/11/07/212061107.db2.gz HPGDACLWROFHLD-HNNXBMFYSA-N 1 2 326.466 1.326 40 0 EDABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1C[N@H+](C)CC2 ZINC000019711512 212057125 /nfs/dbraw/zinc/05/71/25/212057125.db2.gz HHFIMGIVJPEHIA-CYBMUJFWSA-N 1 2 331.464 1.868 40 0 EDABLO CNc1nc([C@@H]2CCCN(C(=O)C(C)C)C2)nc2c1C[N@@H+](C)CC2 ZINC000019711512 212057128 /nfs/dbraw/zinc/05/71/28/212057128.db2.gz HHFIMGIVJPEHIA-CYBMUJFWSA-N 1 2 331.464 1.868 40 0 EDABLO Cc1cc(CNC(=O)N2CC[NH+](Cc3cnc(C)s3)CC2)on1 ZINC000111845603 220206376 /nfs/dbraw/zinc/20/63/76/220206376.db2.gz HNKZJSRWBIWCSP-UHFFFAOYSA-N 1 2 335.433 1.775 40 0 EDABLO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1nccs1 ZINC000012114423 211293472 /nfs/dbraw/zinc/29/34/72/211293472.db2.gz CBSZAHLHKCOHPE-HBBFGDNQSA-N 1 2 347.444 1.330 40 0 EDABLO Cn1ccnc1C1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1nccs1 ZINC000012114423 211293476 /nfs/dbraw/zinc/29/34/76/211293476.db2.gz CBSZAHLHKCOHPE-HBBFGDNQSA-N 1 2 347.444 1.330 40 0 EDABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C3COC3)CC[N@@H+]21 ZINC000253405520 281224016 /nfs/dbraw/zinc/22/40/16/281224016.db2.gz SOBDAPVMUXHEDG-AWEZNQCLSA-N 1 2 347.434 1.445 40 0 biogenic,in-vitro EDABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C3COC3)CC[N@H+]21 ZINC000253405520 281224019 /nfs/dbraw/zinc/22/40/19/281224019.db2.gz SOBDAPVMUXHEDG-AWEZNQCLSA-N 1 2 347.434 1.445 40 0 biogenic,in-vitro EDABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CC2)C1 ZINC000096044917 294379758 /nfs/dbraw/zinc/37/97/58/294379758.db2.gz VJWOXKVYNHQFLK-CQSZACIVSA-N 1 2 328.416 1.925 40 0 EDABLO NC(=O)C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000257268116 303250856 /nfs/dbraw/zinc/25/08/56/303250856.db2.gz MKHLTWRVUVRZGF-AWEZNQCLSA-N 1 2 329.379 1.877 40 0 EDABLO NC(=O)C[N@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(F)c1 ZINC000257268116 303250859 /nfs/dbraw/zinc/25/08/59/303250859.db2.gz MKHLTWRVUVRZGF-AWEZNQCLSA-N 1 2 329.379 1.877 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@@H+]2Cc1ccco1)c1cnccn1 ZINC000107257524 441405232 /nfs/dbraw/zinc/40/52/32/441405232.db2.gz QUGJCTWPLFNNTM-IAOVAPTHSA-N 1 2 342.399 1.479 40 0 EDABLO O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCC[N@H+]2Cc1ccco1)c1cnccn1 ZINC000107257524 441405237 /nfs/dbraw/zinc/40/52/37/441405237.db2.gz QUGJCTWPLFNNTM-IAOVAPTHSA-N 1 2 342.399 1.479 40 0 EDABLO Cc1cccc(-c2noc(CCC(=O)NCC[NH+]3CCOCC3)n2)c1 ZINC000041184398 441637342 /nfs/dbraw/zinc/63/73/42/441637342.db2.gz UIWBUALGGDBTRA-UHFFFAOYSA-N 1 2 344.415 1.426 40 0 EDABLO CN(C)C(=O)COC[C@@H]1CN(Cc2ccco2)Cc2[nH+]cn(C)c21 ZINC000096044860 441994148 /nfs/dbraw/zinc/99/41/48/441994148.db2.gz WGBORVQOYPIEEA-ZDUSSCGKSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096044860 441994153 /nfs/dbraw/zinc/99/41/53/441994153.db2.gz WGBORVQOYPIEEA-ZDUSSCGKSA-N 1 2 332.404 1.217 40 0 EDABLO CN(C)C(=O)COC[C@@H]1C[N@@H+](Cc2ccco2)Cc2ncn(C)c21 ZINC000096044860 441994158 /nfs/dbraw/zinc/99/41/58/441994158.db2.gz WGBORVQOYPIEEA-ZDUSSCGKSA-N 1 2 332.404 1.217 40 0 EDABLO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)o1 ZINC000096051399 441999877 /nfs/dbraw/zinc/99/98/77/441999877.db2.gz MOIVJNIRGWUFHT-SFHVURJKSA-N 1 2 346.383 1.815 40 0 EDABLO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccoc4)C(=O)CO3)C2)o1 ZINC000096051399 441999880 /nfs/dbraw/zinc/99/98/80/441999880.db2.gz MOIVJNIRGWUFHT-SFHVURJKSA-N 1 2 346.383 1.815 40 0 EDABLO O=C([C@@H]1C[C@@H]2CC[N@H+](Cc3nccs3)C[C@H]2O1)N1CCCCO1 ZINC000096066247 442013546 /nfs/dbraw/zinc/01/35/46/442013546.db2.gz JZKRBQBPLFFADF-MELADBBJSA-N 1 2 337.445 1.677 40 0 EDABLO O=C([C@@H]1C[C@@H]2CC[N@@H+](Cc3nccs3)C[C@H]2O1)N1CCCCO1 ZINC000096066247 442013553 /nfs/dbraw/zinc/01/35/53/442013553.db2.gz JZKRBQBPLFFADF-MELADBBJSA-N 1 2 337.445 1.677 40 0 EDABLO O=S(=O)(C1CC1)N1CCO[C@@H]2CN(c3cccc[nH+]3)CC[C@@H]2C1 ZINC000096082393 442023490 /nfs/dbraw/zinc/02/34/90/442023490.db2.gz XWUPTRCKGZUHIT-UKRRQHHQSA-N 1 2 337.445 1.101 40 0 EDABLO Cn1cc(C[N@@H+]2CCn3cc(CNC(=O)C4CCC4)nc3C2)cn1 ZINC000096197428 442069912 /nfs/dbraw/zinc/06/99/12/442069912.db2.gz SKZMNXXEKYOCMU-UHFFFAOYSA-N 1 2 328.420 1.049 40 0 EDABLO Cn1cc(C[N@H+]2CCn3cc(CNC(=O)C4CCC4)nc3C2)cn1 ZINC000096197428 442069915 /nfs/dbraw/zinc/06/99/15/442069915.db2.gz SKZMNXXEKYOCMU-UHFFFAOYSA-N 1 2 328.420 1.049 40 0 EDABLO O=C(NCc1c[nH+]c2n1CCN(c1ncc(F)cn1)CC2)C1CCC1 ZINC000096197063 442070101 /nfs/dbraw/zinc/07/01/01/442070101.db2.gz HNAQFVJRHPHBKE-UHFFFAOYSA-N 1 2 344.394 1.291 40 0 EDABLO CC(C)NC(=O)N1CCOC[C@@]2(C[C@H](CNc3cccc[nH+]3)CO2)C1 ZINC000096240472 442099909 /nfs/dbraw/zinc/09/99/09/442099909.db2.gz QXEBQERSMXHXLR-CRAIPNDOSA-N 1 2 348.447 1.719 40 0 EDABLO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@H+](Cc2cccs2)C1 ZINC000247516173 442860230 /nfs/dbraw/zinc/86/02/30/442860230.db2.gz JXPGOYYHUDWEIF-LBPRGKRZSA-N 1 2 340.474 1.126 40 0 EDABLO CS(=O)(=O)NC[C@@H]1Cn2nccc2C[N@@H+](Cc2cccs2)C1 ZINC000247516173 442860233 /nfs/dbraw/zinc/86/02/33/442860233.db2.gz JXPGOYYHUDWEIF-LBPRGKRZSA-N 1 2 340.474 1.126 40 0 EDABLO CS(=O)(=O)NCC[C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000247538618 442860718 /nfs/dbraw/zinc/86/07/18/442860718.db2.gz RJYIQDNLXFVRRV-GFCCVEGCSA-N 1 2 340.474 1.441 40 0 EDABLO c1ccc(C[NH+]2CC3(C2)CC[C@H](CNc2ncccn2)CO3)nc1 ZINC000248107332 442881781 /nfs/dbraw/zinc/88/17/81/442881781.db2.gz PNBZRHMKBOSACM-OAHLLOKOSA-N 1 2 325.416 1.965 40 0 EDABLO Cc1cc(C)nc([C@H]2CN(C(=O)CCCn3cc[nH+]c3)CCO2)n1 ZINC000257293336 443134933 /nfs/dbraw/zinc/13/49/33/443134933.db2.gz QPBGTYMASCDYCS-OAHLLOKOSA-N 1 2 329.404 1.670 40 0 EDABLO Cc1ccc(OC[C@@]2(O)COCCN(c3cc[nH+]c(C)n3)C2)cc1 ZINC000585275359 448719060 /nfs/dbraw/zinc/71/90/60/448719060.db2.gz CZFNMIKUXYMOTB-SFHVURJKSA-N 1 2 329.400 1.740 40 0 EDABLO O=C(C[N@H+]1CC[C@@](O)(COc2ccccc2)C1)Nc1ccccn1 ZINC000585275511 448719987 /nfs/dbraw/zinc/71/99/87/448719987.db2.gz BXVOPQFZKMOAOA-SFHVURJKSA-N 1 2 327.384 1.536 40 0 EDABLO O=C(C[N@@H+]1CC[C@@](O)(COc2ccccc2)C1)Nc1ccccn1 ZINC000585275511 448719994 /nfs/dbraw/zinc/71/99/94/448719994.db2.gz BXVOPQFZKMOAOA-SFHVURJKSA-N 1 2 327.384 1.536 40 0 EDABLO COC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1cccc2c1OCCO2 ZINC000585096799 448681082 /nfs/dbraw/zinc/68/10/82/448681082.db2.gz CQDBVURKPSUFMM-CYBMUJFWSA-N 1 2 343.383 1.715 40 0 EDABLO CN(C(=O)C=Cc1c[nH]c[nH+]1)[C@@H]1CC[C@@H](Oc2cccnc2)[C@@H]1O ZINC000585292308 448736426 /nfs/dbraw/zinc/73/64/26/448736426.db2.gz ZYMSGWWIXOVJFB-RRGVISTESA-N 1 2 328.372 1.247 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC[N@@H+]1C(C)C ZINC000257257225 536397188 /nfs/dbraw/zinc/39/71/88/536397188.db2.gz KOQFYQPZRSQJDP-MRXNPFEDSA-N 1 2 346.406 1.588 40 0 EDABLO CNC(=O)[C@H]1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CC[N@H+]1C(C)C ZINC000257257225 536397190 /nfs/dbraw/zinc/39/71/90/536397190.db2.gz KOQFYQPZRSQJDP-MRXNPFEDSA-N 1 2 346.406 1.588 40 0 EDABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@H](C(=O)N2CCCO2)C1 ZINC000253599015 244030402 /nfs/dbraw/zinc/03/04/02/244030402.db2.gz KBJPGJPGEOBINF-AWEZNQCLSA-N 1 2 332.429 1.974 40 0 EDABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@H](C(=O)N2CCCO2)C1 ZINC000253599015 244030409 /nfs/dbraw/zinc/03/04/09/244030409.db2.gz KBJPGJPGEOBINF-AWEZNQCLSA-N 1 2 332.429 1.974 40 0 EDABLO Cc1ccc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)[nH+]cn3)C2)cn1 ZINC000257225830 244199094 /nfs/dbraw/zinc/19/90/94/244199094.db2.gz FIBFCKLQWBJYTB-SFHVURJKSA-N 1 2 341.415 1.250 40 0 EDABLO Cc1cc(N2CCC[C@H](Cc3cc(C(N)=O)nc(C)n3)C2)nc[nH+]1 ZINC000257250407 244268518 /nfs/dbraw/zinc/26/85/18/244268518.db2.gz JMJUGXYJANWWOO-CYBMUJFWSA-N 1 2 326.404 1.441 40 0 EDABLO CN([C@@H]1CCCN(c2cccc[nH+]2)C1)S(=O)(=O)c1cccnc1 ZINC000257259377 244293086 /nfs/dbraw/zinc/29/30/86/244293086.db2.gz KYCRMPBSXDZWGC-CQSZACIVSA-N 1 2 332.429 1.766 40 0 EDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1Cc1cn(C)cn1 ZINC000257265530 244360114 /nfs/dbraw/zinc/36/01/14/244360114.db2.gz LZAQPPXKRUYCBT-MRXNPFEDSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1Cc1cn(C)cn1 ZINC000257265530 244360123 /nfs/dbraw/zinc/36/01/23/244360123.db2.gz LZAQPPXKRUYCBT-MRXNPFEDSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@H+]2Cc2cnn(C)c2C)n1 ZINC000257270111 244372006 /nfs/dbraw/zinc/37/20/06/244372006.db2.gz MSVDPFHBZMPQOG-MRXNPFEDSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)NCc1ccnc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2C)n1 ZINC000257270111 244372017 /nfs/dbraw/zinc/37/20/17/244372017.db2.gz MSVDPFHBZMPQOG-MRXNPFEDSA-N 1 2 328.420 1.492 40 0 EDABLO CC(=O)Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C ZINC000408620339 250306180 /nfs/dbraw/zinc/30/61/80/250306180.db2.gz JFMBPSJPSCXCMC-UHFFFAOYSA-N 1 2 336.417 1.519 40 0 EDABLO Cc1ccnc(OC[C@H]2CN(Cc3cnn(C)c3)Cc3c[nH+]cn32)n1 ZINC000306124650 257917878 /nfs/dbraw/zinc/91/78/78/257917878.db2.gz BVUBIUZOERMNMT-MRXNPFEDSA-N 1 2 339.403 1.351 40 0 EDABLO Cn1ccnc1C[N@@H+]1CCC[C@@]2(C1)COCCN(c1nncs1)C2 ZINC000096229255 442096448 /nfs/dbraw/zinc/09/64/48/442096448.db2.gz YIUBFLZFYILBHY-INIZCTEOSA-N 1 2 348.476 1.391 40 0 EDABLO Cn1ccnc1C[N@H+]1CCC[C@@]2(C1)COCCN(c1nncs1)C2 ZINC000096229255 442096449 /nfs/dbraw/zinc/09/64/49/442096449.db2.gz YIUBFLZFYILBHY-INIZCTEOSA-N 1 2 348.476 1.391 40 0 EDABLO CC(C)Nc1nc(NC(C)C)c2c([nH+]1)CCN(S(C)(=O)=O)CC2 ZINC000096254637 442105807 /nfs/dbraw/zinc/10/58/07/442105807.db2.gz QBXCRNBTUPYHTF-UHFFFAOYSA-N 1 2 341.481 1.477 40 0 EDABLO Cn1nc(C[NH+](C)C)c2c1CN(S(=O)(=O)c1ccccc1F)C2 ZINC000096259086 442107531 /nfs/dbraw/zinc/10/75/31/442107531.db2.gz GCCAVGWAZMEAAB-UHFFFAOYSA-N 1 2 338.408 1.325 40 0 EDABLO CN(C)C(=O)CO[C@@H]1CSC2(C[NH+](Cc3nccs3)C2)C1 ZINC000247948320 442874544 /nfs/dbraw/zinc/87/45/44/442874544.db2.gz BOALMLXOJULREI-NSHDSACASA-N 1 2 327.475 1.308 40 0 EDABLO Cn1nccc1C(=O)NCC[C@@H]1CCOC12C[NH+](Cc1ccoc1)C2 ZINC000248078388 442880648 /nfs/dbraw/zinc/88/06/48/442880648.db2.gz ZZJUGQDPDNTVGC-OAHLLOKOSA-N 1 2 344.415 1.424 40 0 EDABLO Cc1cc2nc([C@H]3CCCCN3C(=O)C[NH+]3CCCC3)cc(=O)n2[nH]1 ZINC000257324870 443148156 /nfs/dbraw/zinc/14/81/56/443148156.db2.gz WQNNDCLWGIOZGP-OAHLLOKOSA-N 1 2 343.431 1.893 40 0 EDABLO CC(C)c1cc(C(=O)NC[C@@]2(O)CCN(c3cccc[nH+]3)C2)on1 ZINC000257295967 443135351 /nfs/dbraw/zinc/13/53/51/443135351.db2.gz RAQIAKBOTVNUBZ-KRWDZBQOSA-N 1 2 330.388 1.564 40 0 EDABLO Cc1cc(C[C@@H]2COCCN(C(=O)CCCn3cc[nH+]c3)C2)ncn1 ZINC000257308965 443141080 /nfs/dbraw/zinc/14/10/80/443141080.db2.gz TYYFEABWMKTQQO-INIZCTEOSA-N 1 2 343.431 1.479 40 0 EDABLO COCc1cccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257321925 443146800 /nfs/dbraw/zinc/14/68/00/443146800.db2.gz WDWHEOGTXXKNID-BRWVUGGUSA-N 1 2 329.400 1.914 40 0 EDABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3cccs3)C2)nc[nH+]1 ZINC000257278661 443127129 /nfs/dbraw/zinc/12/71/29/443127129.db2.gz ODCUOCWDZZUOQG-KRWDZBQOSA-N 1 2 346.456 1.950 40 0 EDABLO Cc1csc(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cn3)C2)c1 ZINC000257335286 443153497 /nfs/dbraw/zinc/15/34/97/443153497.db2.gz YJNBALPCGPEFFW-INIZCTEOSA-N 1 2 332.429 1.526 40 0 EDABLO CO[C@@]1(COc2ccc(C)cc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC000585275305 448719095 /nfs/dbraw/zinc/71/90/95/448719095.db2.gz AAECHISMIPFCDK-SFHVURJKSA-N 1 2 329.400 1.957 40 0 EDABLO CCCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096226 448679945 /nfs/dbraw/zinc/67/99/45/448679945.db2.gz ZULIORDPQUHCOD-CQSZACIVSA-N 1 2 332.429 1.944 40 0 EDABLO Cc1ccc(C[C@]2(CO)CN(C(=O)CCn3cc[nH+]c3)CCO2)cc1 ZINC000585277988 448725799 /nfs/dbraw/zinc/72/57/99/448725799.db2.gz OJRKTRWIDMAGQE-LJQANCHMSA-N 1 2 343.427 1.414 40 0 EDABLO Cc1ccsc1C[N@H+]1Cc2cncn2[C@@H](C(=O)N2CCCO2)C1 ZINC000253599017 244031704 /nfs/dbraw/zinc/03/17/04/244031704.db2.gz KBJPGJPGEOBINF-CQSZACIVSA-N 1 2 332.429 1.974 40 0 EDABLO Cc1ccsc1C[N@@H+]1Cc2cncn2[C@@H](C(=O)N2CCCO2)C1 ZINC000253599017 244031707 /nfs/dbraw/zinc/03/17/07/244031707.db2.gz KBJPGJPGEOBINF-CQSZACIVSA-N 1 2 332.429 1.974 40 0 EDABLO Cc1ncncc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257227741 244206886 /nfs/dbraw/zinc/20/68/86/244206886.db2.gz FQRJDVIJVOAVQE-SFHVURJKSA-N 1 2 341.415 1.284 40 0 EDABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)c1cscn1 ZINC000257221503 244183704 /nfs/dbraw/zinc/18/37/04/244183704.db2.gz DPIULWJELJRHNK-INIZCTEOSA-N 1 2 332.429 1.642 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1C[C@@H]2[C@H](Nc3cnccn3)CC[C@@H]2C1 ZINC000257249358 244264883 /nfs/dbraw/zinc/26/48/83/244264883.db2.gz JHXAFZKGKMEYKB-QLFBSQMISA-N 1 2 326.404 1.412 40 0 EDABLO O=C(c1cnc(C2CC2)nc1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257317207 244507207 /nfs/dbraw/zinc/50/72/07/244507207.db2.gz VIUUDOIEVLEBFC-GJZGRUSLSA-N 1 2 327.388 1.389 40 0 EDABLO Cc1cc(=O)n(CC(=O)NC[C@H](C)[NH+]2CCOCC2)c2ccccc12 ZINC000019657064 212052473 /nfs/dbraw/zinc/05/24/73/212052473.db2.gz LBNNLNKVDABFDY-HNNXBMFYSA-N 1 2 343.427 1.147 40 0 EDABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1C(=O)c1ccc(OC)cc1 ZINC000015676561 284198262 /nfs/dbraw/zinc/19/82/62/284198262.db2.gz QYSQDKQBNAASIM-AWEZNQCLSA-N 1 2 329.356 1.169 40 0 biogenic,in-vitro EDABLO COc1ccccc1[C@@H](CNS(=O)(=O)N1CCCC1)[NH+](C)C ZINC000012362300 211356242 /nfs/dbraw/zinc/35/62/42/211356242.db2.gz BMCUFKPRRRKMFK-CQSZACIVSA-N 1 2 327.450 1.228 40 0 EDABLO Cc1cc2c(nc3n(c2=O)CCN(Cc2[nH]c[nH+]c2C)CC3)s1 ZINC000012221539 211323981 /nfs/dbraw/zinc/32/39/81/211323981.db2.gz NQCWONTXUJYNCI-UHFFFAOYSA-N 1 2 329.429 1.856 40 0 EDABLO CC(C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096201030 279583757 /nfs/dbraw/zinc/58/37/57/279583757.db2.gz ISNSYKJDEKYLNO-SJORKVTESA-N 1 2 332.448 1.517 40 0 EDABLO Cn1cc(C[N@@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cn1 ZINC000096042232 441989955 /nfs/dbraw/zinc/98/99/55/441989955.db2.gz AMLVMHIYDOMIGA-OKZBNKHCSA-N 1 2 328.416 1.764 40 0 EDABLO Cn1cc(C[N@H+]2CCO[C@H]3[C@@H](OCc4ccccn4)CC[C@@H]32)cn1 ZINC000096042232 441989960 /nfs/dbraw/zinc/98/99/60/441989960.db2.gz AMLVMHIYDOMIGA-OKZBNKHCSA-N 1 2 328.416 1.764 40 0 EDABLO CCS(=O)(=O)N1C[C@@H]([N@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC000096057156 442005225 /nfs/dbraw/zinc/00/52/25/442005225.db2.gz IAEUDYFESRYZCD-IMJJTQAJSA-N 1 2 342.461 1.541 40 0 EDABLO CCS(=O)(=O)N1C[C@@H]([N@@H+](C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC000096057156 442005233 /nfs/dbraw/zinc/00/52/33/442005233.db2.gz IAEUDYFESRYZCD-IMJJTQAJSA-N 1 2 342.461 1.541 40 0 EDABLO C[C@H]1c2[nH+]cc(Cn3cncn3)n2CCN1C(=O)c1ccsc1 ZINC000096062101 442010011 /nfs/dbraw/zinc/01/00/11/442010011.db2.gz YAEZHRZFZXLXOF-NSHDSACASA-N 1 2 328.401 1.801 40 0 EDABLO COC[C@@H]1CN(C(=O)COc2ccc(C)cc2)Cc2[nH+]cn(C)c21 ZINC000096068615 442016334 /nfs/dbraw/zinc/01/63/34/442016334.db2.gz FPDPJTSBGMYIIJ-AWEZNQCLSA-N 1 2 329.400 1.880 40 0 EDABLO COC[C@H]1Cn2cc[nH+]c2CN(S(=O)(=O)c2cccs2)C1 ZINC000096187755 442064431 /nfs/dbraw/zinc/06/44/31/442064431.db2.gz KRERFRWVWCMQNC-NSHDSACASA-N 1 2 327.431 1.412 40 0 EDABLO CCc1ccc(S(=O)(=O)N2Cc3[nH+]ccn3C[C@H](COC)C2)cc1 ZINC000096187774 442064687 /nfs/dbraw/zinc/06/46/87/442064687.db2.gz YKSIGFNUNLIZRI-HNNXBMFYSA-N 1 2 349.456 1.913 40 0 EDABLO O=S(=O)(C1CC1)N1CCOC[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096202288 442078125 /nfs/dbraw/zinc/07/81/25/442078125.db2.gz VIOLYWYLKNJQGS-INIZCTEOSA-N 1 2 337.445 1.103 40 0 EDABLO CC(C)COC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2ncccn2)C1 ZINC000096216699 442087466 /nfs/dbraw/zinc/08/74/66/442087466.db2.gz PIPWNFDJUNWRRL-CQSZACIVSA-N 1 2 329.404 1.618 40 0 EDABLO CN(C)C(=O)C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247941558 442873780 /nfs/dbraw/zinc/87/37/80/442873780.db2.gz AFORUXZAZPGLCO-CQSZACIVSA-N 1 2 328.478 1.078 40 0 EDABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@H](C)O)C1 ZINC000248265509 442887071 /nfs/dbraw/zinc/88/70/71/442887071.db2.gz DLBRBTCKTBGDOD-KBPBESRZSA-N 1 2 330.432 1.770 40 0 EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[N@@H+]2C(C)(C)C1 ZINC000253403995 443057293 /nfs/dbraw/zinc/05/72/93/443057293.db2.gz QTVJSGZNZZHOBX-INIZCTEOSA-N 1 2 333.407 1.593 40 0 biogenic,in-vitro EDABLO CC(=O)N1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[N@H+]2C(C)(C)C1 ZINC000253403995 443057296 /nfs/dbraw/zinc/05/72/96/443057296.db2.gz QTVJSGZNZZHOBX-INIZCTEOSA-N 1 2 333.407 1.593 40 0 biogenic,in-vitro EDABLO Cc1ncsc1C(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257295105 443135894 /nfs/dbraw/zinc/13/58/94/443135894.db2.gz QWZLHCGIHLVGSH-KRWDZBQOSA-N 1 2 346.456 1.950 40 0 EDABLO Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257325354 443148332 /nfs/dbraw/zinc/14/83/32/443148332.db2.gz WSPBTDTYDQGQIT-CYBMUJFWSA-N 1 2 334.445 1.896 40 0 EDABLO Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3S(C)(=O)=O)C2)n1 ZINC000257325354 443148334 /nfs/dbraw/zinc/14/83/34/443148334.db2.gz WSPBTDTYDQGQIT-CYBMUJFWSA-N 1 2 334.445 1.896 40 0 EDABLO COc1ccc(-c2noc(C(=O)N3CC[NH+](C)CC3)c2[C@H](C)O)cc1 ZINC000225430159 443102859 /nfs/dbraw/zinc/10/28/59/443102859.db2.gz KDMVCNHGZJBMQX-LBPRGKRZSA-N 1 2 345.399 1.791 40 0 biogenic,in-vitro EDABLO CNC(=O)c1cccc([C@@H]2C[N@H+](Cc3cnccn3)CCN2C)c1 ZINC000257228811 443126150 /nfs/dbraw/zinc/12/61/50/443126150.db2.gz FVIYHLIEGULNCW-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2C[N@@H+](Cc3cnccn3)CCN2C)c1 ZINC000257228811 443126152 /nfs/dbraw/zinc/12/61/52/443126152.db2.gz FVIYHLIEGULNCW-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cnccn3)CC[N@@H+]2C)c1 ZINC000257228811 443126154 /nfs/dbraw/zinc/12/61/54/443126154.db2.gz FVIYHLIEGULNCW-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO CNC(=O)c1cccc([C@@H]2CN(Cc3cnccn3)CC[N@H+]2C)c1 ZINC000257228811 443126155 /nfs/dbraw/zinc/12/61/55/443126155.db2.gz FVIYHLIEGULNCW-KRWDZBQOSA-N 1 2 325.416 1.325 40 0 EDABLO COc1ccccc1-c1c[nH+]c2n1C[C@]1(CCN(S(C)(=O)=O)C1)C2 ZINC000306141646 444287750 /nfs/dbraw/zinc/28/77/50/444287750.db2.gz WCVKGILCQSOBBZ-QGZVFWFLSA-N 1 2 347.440 1.767 40 0 EDABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(NCCCO)n2)cc1F ZINC000329036399 444453717 /nfs/dbraw/zinc/45/37/17/444453717.db2.gz RIFILQJZTHGZKD-UHFFFAOYSA-N 1 2 332.379 1.883 40 0 EDABLO C[C@H](CO)Nc1nc(NCc2cccs2)cc(-c2cccnc2)[nH+]1 ZINC000329039788 444454490 /nfs/dbraw/zinc/45/44/90/444454490.db2.gz SAJJHLNTZOYEDT-GFCCVEGCSA-N 1 2 341.440 1.849 40 0 EDABLO COc1cc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc(OC)c1 ZINC000329061741 444461743 /nfs/dbraw/zinc/46/17/43/444461743.db2.gz WTBRFLZYCINGCV-UHFFFAOYSA-N 1 2 330.388 1.363 40 0 EDABLO COc1cc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@H]2C)CC3)ccn1 ZINC000585111098 448690730 /nfs/dbraw/zinc/69/07/30/448690730.db2.gz DELIARZNRAQQRT-TZMCWYRMSA-N 1 2 326.400 1.994 40 0 EDABLO Cc1ccc(OC[C@H]2CCn3nccc3C[N@H+]2CC(=O)N(C)C)cn1 ZINC000585097846 448682129 /nfs/dbraw/zinc/68/21/29/448682129.db2.gz RUWKLVOZGJVDGO-MRXNPFEDSA-N 1 2 343.431 1.328 40 0 EDABLO Cc1ccc(OC[C@H]2CCn3nccc3C[N@@H+]2CC(=O)N(C)C)cn1 ZINC000585097846 448682137 /nfs/dbraw/zinc/68/21/37/448682137.db2.gz RUWKLVOZGJVDGO-MRXNPFEDSA-N 1 2 343.431 1.328 40 0 EDABLO Cc1ccc(C[C@@]2(CO)CN(C(=O)CCn3cc[nH+]c3)CCO2)cc1 ZINC000585277986 448725190 /nfs/dbraw/zinc/72/51/90/448725190.db2.gz OJRKTRWIDMAGQE-IBGZPJMESA-N 1 2 343.427 1.414 40 0 EDABLO O=C(CCn1cc[nH+]c1)N1CCO[C@](CO)(Cc2ccccc2)C1 ZINC000585278049 448725602 /nfs/dbraw/zinc/72/56/02/448725602.db2.gz PPXFFAWMBPINCI-GOSISDBHSA-N 1 2 329.400 1.106 40 0 EDABLO