smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCCN(C(=O)NCc2ccccc2-n2ccc(C)n2)CC1 ZINC000160010180 539519779 /nfs/dbraw/zinc/51/97/79/539519779.db2.gz YZSOKGJFBNNYOQ-UHFFFAOYSA-N 1 0 341.459 2.418 10 70 EEIERO COC(=O)[C@H]1CCCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000159585302 284329536 /nfs/dbraw/zinc/32/95/36/284329536.db2.gz FDOVLYQOZBSRNE-RDJZCZTQSA-N 1 0 347.459 2.102 10 70 EEIERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1 ZINC000161327640 206342065 /nfs/dbraw/zinc/34/20/65/206342065.db2.gz YSKZDTNOHCPXHM-QGZVFWFLSA-N 1 0 345.487 2.373 10 70 EEIERO CC(C)Oc1cc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccn1 ZINC000160223201 311351233 /nfs/dbraw/zinc/35/12/33/311351233.db2.gz GOAMHJVDRACGOL-ZBFHGGJFSA-N 1 0 334.464 2.397 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CSCC(=O)OC(C)(C)C ZINC000160403083 311353999 /nfs/dbraw/zinc/35/39/99/311353999.db2.gz NRNVEMNWNYTQOP-CQSZACIVSA-N 1 0 344.521 2.298 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)NC(=O)c1ccccc1 ZINC000160531391 311355001 /nfs/dbraw/zinc/35/50/01/311355001.db2.gz JJAFUUZJZBKTMB-FUHWJXTLSA-N 1 0 345.487 2.432 10 70 EEIERO CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000160588165 311356175 /nfs/dbraw/zinc/35/61/75/311356175.db2.gz GTYSTMLIKDRLNZ-XLIONFOSSA-N 1 0 331.504 2.339 10 70 EEIERO C[NH+](C)C[C@H]1CN(CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160015865 463313681 /nfs/dbraw/zinc/31/36/81/463313681.db2.gz GHKYHONHIVCOBV-HNNXBMFYSA-N 1 0 332.366 2.390 10 70 EEIERO CC(C)C(=O)N(C)Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160206332 463322019 /nfs/dbraw/zinc/32/20/19/463322019.db2.gz MDZNNWHCTQUKMB-HDICACEKSA-N 1 0 343.471 2.268 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cccc2)cc1 ZINC000160694115 463363776 /nfs/dbraw/zinc/36/37/76/463363776.db2.gz HRXUDHZZSZPWRW-SFHVURJKSA-N 1 0 327.428 2.054 10 70 EEIERO C[C@]1(CNc2nc3nncc-3c(O)[n-]2)CCC[N@@H+]1Cc1ccccc1 ZINC000160798307 463371360 /nfs/dbraw/zinc/37/13/60/463371360.db2.gz YQZHWTXDCKXMOM-GOSISDBHSA-N 1 0 338.415 2.113 10 70 EEIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160872456 311359728 /nfs/dbraw/zinc/35/97/28/311359728.db2.gz YQSXSRHGULCKQQ-LBPRGKRZSA-N 1 0 325.434 2.483 10 70 EEIERO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000159871114 463309534 /nfs/dbraw/zinc/30/95/34/463309534.db2.gz LTSCNSRBDZTBLK-OAHLLOKOSA-N 1 0 348.491 2.163 10 70 EEIERO CCNC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160469550 463341371 /nfs/dbraw/zinc/34/13/71/463341371.db2.gz KMZJZPWMWGZUGQ-YIONKMFJSA-N 1 0 339.480 2.375 10 70 EEIERO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160634648 463357944 /nfs/dbraw/zinc/35/79/44/463357944.db2.gz PBYYRIXLEUMZSN-LJQANCHMSA-N 1 0 340.471 2.420 10 70 EEIERO CCc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)[nH]c(C)c1C(N)=O ZINC000160830884 463374665 /nfs/dbraw/zinc/37/46/65/463374665.db2.gz KBKIPXBVZWWZID-UHFFFAOYSA-N 1 0 348.491 2.369 10 70 EEIERO Cc1nc(C[C@@H]2CCCN(CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046610 463393951 /nfs/dbraw/zinc/39/39/51/463393951.db2.gz WCGQCZQFWHWZGP-HNNXBMFYSA-N 1 0 349.456 2.106 10 70 EEIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc(N2CCCC2=O)ccc1F ZINC000161333460 539527785 /nfs/dbraw/zinc/52/77/85/539527785.db2.gz JKAJYCWNTWIMRN-ZDUSSCGKSA-N 1 0 345.418 2.167 10 70 EEIERO [NH3+]C1(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CCCCC1 ZINC000159534634 463291559 /nfs/dbraw/zinc/29/15/59/463291559.db2.gz OQUULDZDVTUYMJ-OAHLLOKOSA-N 1 0 349.500 2.059 10 70 EEIERO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc(Cl)c1OC ZINC000159578923 463294109 /nfs/dbraw/zinc/29/41/09/463294109.db2.gz IMJRZDVKOZSVFG-ZYHUDNBSSA-N 1 0 326.824 2.443 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160204738 463322908 /nfs/dbraw/zinc/32/29/08/463322908.db2.gz GRVUMKYSMBTAAF-UHFFFAOYSA-N 1 0 339.480 2.236 10 70 EEIERO C[NH+](C)Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000161459562 463432523 /nfs/dbraw/zinc/43/25/23/463432523.db2.gz BSEWJIPQFIYOSW-UHFFFAOYSA-N 1 0 335.411 2.259 10 70 EEIERO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)n1 ZINC000160759663 539522966 /nfs/dbraw/zinc/52/29/66/539522966.db2.gz YPVJXBZZIKPPDV-ZDUSSCGKSA-N 1 0 341.419 2.452 10 70 EEIERO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc21 ZINC000159514697 206249325 /nfs/dbraw/zinc/24/93/25/206249325.db2.gz NSLIPMNZTQSYFP-RKVPGOIHSA-N 1 0 343.471 2.151 10 70 EEIERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868404 206266416 /nfs/dbraw/zinc/26/64/16/206266416.db2.gz CVLQXDLALDEPAV-ZBFHGGJFSA-N 1 0 346.475 2.036 10 70 EEIERO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161045564 206325087 /nfs/dbraw/zinc/32/50/87/206325087.db2.gz XGTKYOAUDBTHLA-IIDMSEBBSA-N 1 0 336.501 2.422 10 70 EEIERO C[C@@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)C[NH+]1CCCCC1 ZINC000161388122 206346893 /nfs/dbraw/zinc/34/68/93/206346893.db2.gz FXNZSFPITNJMGL-LBPRGKRZSA-N 1 0 344.502 2.003 10 70 EEIERO CC(C)c1n[nH]c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1Br ZINC000159477584 276064163 /nfs/dbraw/zinc/06/41/63/276064163.db2.gz LSNWOTCFJKAGCV-AOOOYVTPSA-N 1 0 341.253 2.262 10 70 EEIERO CNC(=O)c1cccc(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000160754914 311358429 /nfs/dbraw/zinc/35/84/29/311358429.db2.gz QSGIXKXHZBYYON-JKSUJKDBSA-N 1 0 345.487 2.215 10 70 EEIERO C[N@H+](CCNC(=O)CCNC(=O)C1CCCCC1)C1CCCCC1 ZINC000161295636 311364051 /nfs/dbraw/zinc/36/40/51/311364051.db2.gz GDRVFMCEPLPMPO-UHFFFAOYSA-N 1 0 337.508 2.454 10 70 EEIERO CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H](CCC)[NH+](C)C)cc1 ZINC000161452371 311365946 /nfs/dbraw/zinc/36/59/46/311365946.db2.gz UTPNILHWSXTOGX-OAHLLOKOSA-N 1 0 341.477 2.044 10 70 EEIERO O=C(Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160305828 463326645 /nfs/dbraw/zinc/32/66/45/463326645.db2.gz BRZSTXWXEFTBLR-BETUJISGSA-N 1 0 328.334 2.481 10 70 EEIERO O=C(NCC[NH+]1CCCCC1)c1cc(N2CCCC2=O)ccc1F ZINC000160568727 463350027 /nfs/dbraw/zinc/35/00/27/463350027.db2.gz IEXQDAXZRJPSBB-UHFFFAOYSA-N 1 0 333.407 2.168 10 70 EEIERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C ZINC000160637516 463357702 /nfs/dbraw/zinc/35/77/02/463357702.db2.gz NDYXPDRKHVXZHL-CJNGLKHVSA-N 1 0 342.447 2.429 10 70 EEIERO Cc1cccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1O ZINC000159588650 539516931 /nfs/dbraw/zinc/51/69/31/539516931.db2.gz JKRAXIOPUOLOAR-MRXNPFEDSA-N 1 0 332.444 2.418 10 70 EEIERO CC(C)COc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160489165 206301055 /nfs/dbraw/zinc/30/10/55/206301055.db2.gz NBIBZPMKVQGUPP-SFHVURJKSA-N 1 0 348.487 2.227 10 70 EEIERO CCC[NH+]1CCC(CNC(=O)NCCCC(=O)OC(C)C)CC1 ZINC000159610105 143800813 /nfs/dbraw/zinc/80/08/13/143800813.db2.gz VSRBGLNQJBNKNZ-UHFFFAOYSA-N 1 0 327.469 2.139 10 70 EEIERO CCCC[C@@H](NC(=O)NCC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160544999 311355699 /nfs/dbraw/zinc/35/56/99/311355699.db2.gz YSBKLUFEXHQITQ-HZPDHXFCSA-N 1 0 340.512 2.101 10 70 EEIERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000161305105 311364127 /nfs/dbraw/zinc/36/41/27/311364127.db2.gz XRAWLWVMLQCVQX-KKUMJFAQSA-N 1 0 341.496 2.381 10 70 EEIERO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(OC)c1 ZINC000160375367 463331775 /nfs/dbraw/zinc/33/17/75/463331775.db2.gz VHRPBIMEGUZVRW-SFHVURJKSA-N 1 0 333.476 2.289 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000160929932 463384377 /nfs/dbraw/zinc/38/43/77/463384377.db2.gz NUYAQOWKGTYLHR-GUYCJALGSA-N 1 0 339.443 2.057 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(-n2cccc2)c1 ZINC000159953203 534626443 /nfs/dbraw/zinc/62/64/43/534626443.db2.gz ZVRLZZUBBOCIQY-SFHVURJKSA-N 1 0 327.428 2.054 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000159996337 539519663 /nfs/dbraw/zinc/51/96/63/539519663.db2.gz QVHZBSURLDWAPS-OAHLLOKOSA-N 1 0 342.447 2.066 10 70 EEIERO COc1cccc(C2(NC(=O)NCCCC[NH+]3CCOCC3)CC2)c1 ZINC000160390247 206294476 /nfs/dbraw/zinc/29/44/76/206294476.db2.gz WQILJDDFUJZQEB-UHFFFAOYSA-N 1 0 347.459 2.096 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000160611602 206306795 /nfs/dbraw/zinc/30/67/95/206306795.db2.gz NUIFSLOYNDXQGS-ZDUSSCGKSA-N 1 0 346.349 2.162 10 70 EEIERO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160601778 159713514 /nfs/dbraw/zinc/71/35/14/159713514.db2.gz USRZXUSPDHFSRU-ZWKOTPCHSA-N 1 0 335.492 2.461 10 70 EEIERO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000159924339 281253025 /nfs/dbraw/zinc/25/30/25/281253025.db2.gz LCLRQJBXHHBXJK-RDJZCZTQSA-N 1 0 337.489 2.199 10 70 EEIERO CCN(C(=O)NCc1noc(C)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160379088 463332680 /nfs/dbraw/zinc/33/26/80/463332680.db2.gz CGZVQAMDKJMISU-MRXNPFEDSA-N 1 0 343.431 2.184 10 70 EEIERO O=C(CCCCC(=O)c1ccccc1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160440659 463338323 /nfs/dbraw/zinc/33/83/23/463338323.db2.gz UJNKNAJPMSIFNY-GOSISDBHSA-N 1 0 346.471 2.393 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000160929686 463384105 /nfs/dbraw/zinc/38/41/05/463384105.db2.gz NUYAQOWKGTYLHR-DYVFJYSZSA-N 1 0 339.443 2.057 10 70 EEIERO CC(C)[N@H+](CCCN1C(=O)NC(C)(C)C1=O)CCc1nccs1 ZINC000159777018 528880751 /nfs/dbraw/zinc/88/07/51/528880751.db2.gz MVTXQJNQUUODMQ-UHFFFAOYSA-N 1 0 338.477 2.117 10 70 EEIERO Cc1ccc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160104579 237232693 /nfs/dbraw/zinc/23/26/93/237232693.db2.gz GVHFMFKQCBFRRI-SFHVURJKSA-N 1 0 348.487 2.425 10 70 EEIERO Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cnc12 ZINC000159474673 206248596 /nfs/dbraw/zinc/24/85/96/206248596.db2.gz WDJALTZUZFNTJE-BLLLJJGKSA-N 1 0 345.418 2.434 10 70 EEIERO CC[C@@H](C)Oc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160360564 206292302 /nfs/dbraw/zinc/29/23/02/206292302.db2.gz ABKXUTADSXNCAD-WBVHZDCISA-N 1 0 334.460 2.441 10 70 EEIERO Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160785829 206313041 /nfs/dbraw/zinc/31/30/41/206313041.db2.gz OZWMXUJOMFCVIH-YLJYHZDGSA-N 1 0 346.471 2.117 10 70 EEIERO C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccsc1 ZINC000159385484 311340654 /nfs/dbraw/zinc/34/06/54/311340654.db2.gz MUGPOGKLQDPHFN-RDJZCZTQSA-N 1 0 335.517 2.480 10 70 EEIERO C[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ncccn1 ZINC000160841882 463375633 /nfs/dbraw/zinc/37/56/33/463375633.db2.gz JHOOSPJVIUDSMC-ZIAGYGMSSA-N 1 0 336.399 2.340 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000161205110 463410646 /nfs/dbraw/zinc/41/06/46/463410646.db2.gz LQRCYRAWSABMDK-CQSZACIVSA-N 1 0 325.497 2.151 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000161322898 463420657 /nfs/dbraw/zinc/42/06/57/463420657.db2.gz PGWOVMFCILHWCC-OAHLLOKOSA-N 1 0 327.432 2.425 10 70 EEIERO [NH3+]CCCNC(=O)COc1ccc(C2SCCCS2)cc1 ZINC000160030569 534611415 /nfs/dbraw/zinc/61/14/15/534611415.db2.gz LOVFBXUIMQCSEP-UHFFFAOYSA-N 1 0 326.487 2.399 10 70 EEIERO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000160801266 206313774 /nfs/dbraw/zinc/31/37/74/206313774.db2.gz GMRGWSDLKKIRNC-NSHDSACASA-N 1 0 331.342 2.147 10 70 EEIERO CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161140459 206331806 /nfs/dbraw/zinc/33/18/06/206331806.db2.gz JZIVTHYZLOIQCT-YLJYHZDGSA-N 1 0 346.471 2.329 10 70 EEIERO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160310999 533063892 /nfs/dbraw/zinc/06/38/92/533063892.db2.gz QVOGOTJLNYXLBI-CQSZACIVSA-N 1 0 326.462 2.094 10 70 EEIERO O=C(Cc1ccc(Cl)cc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160335996 273985049 /nfs/dbraw/zinc/98/50/49/273985049.db2.gz LXESGGPRNCUESF-AWEZNQCLSA-N 1 0 345.270 2.499 10 70 EEIERO C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccsc1 ZINC000159385724 311340605 /nfs/dbraw/zinc/34/06/05/311340605.db2.gz MUGPOGKLQDPHFN-DOTOQJQBSA-N 1 0 335.517 2.480 10 70 EEIERO C[NH+](C)Cc1cccc(NC(=O)c2cc(S(C)(=O)=O)cs2)c1 ZINC000160112044 311350094 /nfs/dbraw/zinc/35/00/94/311350094.db2.gz WEZYDYHJWMRKMX-UHFFFAOYSA-N 1 0 338.454 2.466 10 70 EEIERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160398009 463335068 /nfs/dbraw/zinc/33/50/68/463335068.db2.gz QQAARLDABIDAJI-NVXWUHKLSA-N 1 0 333.432 2.460 10 70 EEIERO C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[C@@H]2O)C[N@@H+]1Cc1ccccc1 ZINC000160404887 539521373 /nfs/dbraw/zinc/52/13/73/539521373.db2.gz LUPQOZLVRVRZBE-BVBHFADKSA-N 1 0 345.487 2.500 10 70 EEIERO Cn1cnc(-c2cccc(NC(=O)NCCCC[NH+]3CCCC3)c2)n1 ZINC000161487225 159725745 /nfs/dbraw/zinc/72/57/45/159725745.db2.gz PXDXELIHMCHFJZ-UHFFFAOYSA-N 1 0 342.447 2.480 10 70 EEIERO Cc1ccc(-c2cc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)on2)cc1 ZINC000159918919 225301203 /nfs/dbraw/zinc/30/12/03/225301203.db2.gz SGACXEPDZINSQZ-INIZCTEOSA-N 1 0 343.427 2.227 10 70 EEIERO O=C(Nc1ccn(CC(F)(F)F)n1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160801133 463372685 /nfs/dbraw/zinc/37/26/85/463372685.db2.gz GMRGWSDLKKIRNC-LLVKDONJSA-N 1 0 331.342 2.147 10 70 EEIERO CC[NH2+]CC1CCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000161058203 463394918 /nfs/dbraw/zinc/39/49/18/463394918.db2.gz SUKCQSOWTGHMSL-INIZCTEOSA-N 1 0 347.484 2.338 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(F)c2)CCC1 ZINC000160167336 225352898 /nfs/dbraw/zinc/35/28/98/225352898.db2.gz NFEXXXBBROBTCL-KRWDZBQOSA-N 1 0 334.435 2.210 10 70 EEIERO CNc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000159370512 463283453 /nfs/dbraw/zinc/28/34/53/463283453.db2.gz BRUMAHHEFWVDLD-OCCSQVGLSA-N 1 0 330.457 2.435 10 70 EEIERO CCOc1c(OC)cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159670084 463298774 /nfs/dbraw/zinc/29/87/74/463298774.db2.gz GKAYQISKFPGZOT-JSGCOSHPSA-N 1 0 336.432 2.188 10 70 EEIERO C[C@@H]1C[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000160002909 463314947 /nfs/dbraw/zinc/31/49/47/463314947.db2.gz YJUQTIDUSQQTGE-PBHICJAKSA-N 1 0 335.492 2.460 10 70 EEIERO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160502174 463344714 /nfs/dbraw/zinc/34/47/14/463344714.db2.gz UNWMMTRFJDOTSN-ABAIWWIYSA-N 1 0 343.431 2.219 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCC(CCC[NH+](C)C)CC3)cnc21 ZINC000161050726 463395397 /nfs/dbraw/zinc/39/53/97/463395397.db2.gz QPEDOCJQUTVBDG-UHFFFAOYSA-N 1 0 329.448 2.162 10 70 EEIERO CSCc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160235963 533831330 /nfs/dbraw/zinc/83/13/30/533831330.db2.gz SPBKENDIBPFXRC-HNNXBMFYSA-N 1 0 340.464 2.265 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NC3CCC(C[NH+](C)C)CC3)no2)c1 ZINC000161248267 539525759 /nfs/dbraw/zinc/52/57/59/539525759.db2.gz NLKFKFWMDFCBRN-UHFFFAOYSA-N 1 0 345.447 2.078 10 70 EEIERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc(N2CCCC2=O)ccc1F ZINC000161333601 539526916 /nfs/dbraw/zinc/52/69/16/539526916.db2.gz JKAJYCWNTWIMRN-CYBMUJFWSA-N 1 0 345.418 2.167 10 70 EEIERO COc1ccccc1[C@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160299641 533001432 /nfs/dbraw/zinc/00/14/32/533001432.db2.gz YMYMXYHXHJKCIP-CVEARBPZSA-N 1 0 334.460 2.152 10 70 EEIERO CCOc1cc(C)nc(N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000160964346 255801187 /nfs/dbraw/zinc/80/11/87/255801187.db2.gz IVCCNQYZHDLOPV-UHFFFAOYSA-N 1 0 347.507 2.182 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000159910098 225299575 /nfs/dbraw/zinc/29/95/75/225299575.db2.gz WPFSYNVMIZULBQ-CFVMTHIKSA-N 1 0 338.398 2.031 10 70 EEIERO CCC[C@H](C(=O)N1CCN(c2ccc(F)cc2OC)CC1)[NH+](C)C ZINC000159717154 311344944 /nfs/dbraw/zinc/34/49/44/311344944.db2.gz RDGLPUXDDKNRKH-MRXNPFEDSA-N 1 0 337.439 2.213 10 70 EEIERO COC(=O)c1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161133103 311362829 /nfs/dbraw/zinc/36/28/29/311362829.db2.gz LRTHLUSAKXXHLD-CMPLNLGQSA-N 1 0 325.434 2.481 10 70 EEIERO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1N1C(=O)CCC1=O ZINC000159855672 463308332 /nfs/dbraw/zinc/30/83/32/463308332.db2.gz CRUCXXLFNNGLDT-UHFFFAOYSA-N 1 0 337.379 2.359 10 70 EEIERO COCc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160924645 463382600 /nfs/dbraw/zinc/38/26/00/463382600.db2.gz DYYHPWDELBNMGU-UYAOXDASSA-N 1 0 346.471 2.076 10 70 EEIERO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000161005659 463390759 /nfs/dbraw/zinc/39/07/59/463390759.db2.gz FIUZARIBMOYTGM-KSZLIROESA-N 1 0 347.503 2.461 10 70 EEIERO CC(C)[C@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc2c(c1)OCCO2 ZINC000161016000 463390833 /nfs/dbraw/zinc/39/08/33/463390833.db2.gz LVROXWILSLPZCW-KRWDZBQOSA-N 1 0 333.432 2.288 10 70 EEIERO c1nn(-c2ccccc2)nc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161410781 463429014 /nfs/dbraw/zinc/42/90/14/463429014.db2.gz DVVRAFLECHZRIZ-HNNXBMFYSA-N 1 0 349.442 2.185 10 70 EEIERO CCC[C@@H](C(=O)N(CC)CC(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000161472354 463432877 /nfs/dbraw/zinc/43/28/77/463432877.db2.gz VASRLMDHCMKWRS-INIZCTEOSA-N 1 0 335.448 2.213 10 70 EEIERO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161488135 463433682 /nfs/dbraw/zinc/43/36/82/463433682.db2.gz TTWVVQJQPXDQPK-WMLDXEAASA-N 1 0 348.468 2.485 10 70 EEIERO O=C(CSc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160256392 534670521 /nfs/dbraw/zinc/67/05/21/534670521.db2.gz FRRZHSUHAXPSIR-AWEZNQCLSA-N 1 0 342.892 2.395 10 70 EEIERO CCC[C@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)[NH+](C)C ZINC000160272905 527973502 /nfs/dbraw/zinc/97/35/02/527973502.db2.gz PQUIQQPQVMXNJQ-OAHLLOKOSA-N 1 0 338.883 2.110 10 70 EEIERO O=C(Cn1ccc2ccc(Cl)cc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159938836 225306672 /nfs/dbraw/zinc/30/66/72/225306672.db2.gz FOCFYCOZKWYIRQ-INIZCTEOSA-N 1 0 349.862 2.258 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)cc1C(F)(F)F ZINC000160028299 225323702 /nfs/dbraw/zinc/32/37/02/225323702.db2.gz UZTYYHYPONFZAF-LBPRGKRZSA-N 1 0 348.340 2.421 10 70 EEIERO CCOC(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000160560775 311355636 /nfs/dbraw/zinc/35/56/36/311355636.db2.gz OWBSYSQZUYBPGL-HZPDHXFCSA-N 1 0 339.480 2.092 10 70 EEIERO CC[C@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)[NH+](C)C ZINC000159509078 463289697 /nfs/dbraw/zinc/28/96/97/463289697.db2.gz HBTHDANLZFZJAP-LLVKDONJSA-N 1 0 332.370 2.475 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000159604299 463295225 /nfs/dbraw/zinc/29/52/25/463295225.db2.gz IWXMWSHCMLQBHL-UHFFFAOYSA-N 1 0 327.469 2.282 10 70 EEIERO CC(C)NC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159745543 463302979 /nfs/dbraw/zinc/30/29/79/463302979.db2.gz VKSMKOKJYOFMBV-IYBDPMFKSA-N 1 0 330.432 2.183 10 70 EEIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160357101 463331786 /nfs/dbraw/zinc/33/17/86/463331786.db2.gz ZQWLZADZTJEJII-WFASDCNBSA-N 1 0 337.431 2.141 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1csc(-c2ccccc2)n1 ZINC000160547446 463349132 /nfs/dbraw/zinc/34/91/32/463349132.db2.gz WYVMGVAYTHEZNG-HNNXBMFYSA-N 1 0 345.468 2.387 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)c1cc(F)cc2cccnc21 ZINC000160680930 463362520 /nfs/dbraw/zinc/36/25/20/463362520.db2.gz VYEAQEDKGUDJJG-UHFFFAOYSA-N 1 0 331.391 2.216 10 70 EEIERO CCc1[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1C(=O)OC ZINC000161093369 463398811 /nfs/dbraw/zinc/39/88/11/463398811.db2.gz VVTCXAYXUHJHNP-FZMZJTMJSA-N 1 0 335.448 2.131 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000161284185 463415816 /nfs/dbraw/zinc/41/58/16/463415816.db2.gz HOPXITNAYZWRSW-INIZCTEOSA-N 1 0 328.416 2.464 10 70 EEIERO CSCc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)ccc1F ZINC000160236105 533831447 /nfs/dbraw/zinc/83/14/47/533831447.db2.gz SPBKENDIBPFXRC-OAHLLOKOSA-N 1 0 340.464 2.265 10 70 EEIERO CC(C)(C)n1nc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C1CC1 ZINC000159920876 526936576 /nfs/dbraw/zinc/93/65/76/526936576.db2.gz PDBSEHJIPXYXFA-HNNXBMFYSA-N 1 0 348.491 2.092 10 70 EEIERO C[C@H](NC(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000161400940 539526684 /nfs/dbraw/zinc/52/66/84/539526684.db2.gz AIHUNGXQXVAGLF-HNNXBMFYSA-N 1 0 342.418 2.220 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc2ccc(Cl)cc2n1 ZINC000159981549 225313143 /nfs/dbraw/zinc/31/31/43/225313143.db2.gz UMNAXHBWDRGINM-HNNXBMFYSA-N 1 0 347.846 2.465 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C ZINC000160529197 311354997 /nfs/dbraw/zinc/35/49/97/311354997.db2.gz NQYDKBTZDJNLOS-CQSZACIVSA-N 1 0 327.469 2.138 10 70 EEIERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000159391082 463284955 /nfs/dbraw/zinc/28/49/55/463284955.db2.gz WJZANPJUIXXRKA-YOEHRIQHSA-N 1 0 342.505 2.433 10 70 EEIERO O=C(CCSc1ccc2c(c1)OCCO2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159440908 463287731 /nfs/dbraw/zinc/28/77/31/463287731.db2.gz BLKJDXDWPAEYHO-OKILXGFUSA-N 1 0 348.468 2.293 10 70 EEIERO Cc1cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c(Cl)cc1F ZINC000160334658 463328404 /nfs/dbraw/zinc/32/84/04/463328404.db2.gz SORCGEQUKQMAPC-LBPRGKRZSA-N 1 0 328.815 2.364 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)cnc21 ZINC000160354850 463330259 /nfs/dbraw/zinc/33/02/59/463330259.db2.gz QQLWHVXTBHQNAZ-HNNXBMFYSA-N 1 0 327.432 2.059 10 70 EEIERO COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160556809 463349704 /nfs/dbraw/zinc/34/97/04/463349704.db2.gz CCMPZLOEIRNWFX-YLJYHZDGSA-N 1 0 346.471 2.281 10 70 EEIERO CC(C)[C@@H]([NH2+]CC(=O)Nc1nncs1)c1ccc2c(c1)OCCO2 ZINC000161479049 463433380 /nfs/dbraw/zinc/43/33/80/463433380.db2.gz HSVVSXOTWSLPRV-OAHLLOKOSA-N 1 0 348.428 2.235 10 70 EEIERO COc1ccc2c(c1)OC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC000160549738 539522489 /nfs/dbraw/zinc/52/24/89/539522489.db2.gz IJPYZNKGXBBGMP-DLBZAZTESA-N 1 0 346.471 2.483 10 70 EEIERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000159733222 225268353 /nfs/dbraw/zinc/26/83/53/225268353.db2.gz WNDCPRSWYCKALY-MRXNPFEDSA-N 1 0 335.473 2.458 10 70 EEIERO CN(C)C(=O)c1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000160415323 225408255 /nfs/dbraw/zinc/40/82/55/225408255.db2.gz GVFWWFJLKFNETQ-UHFFFAOYSA-N 1 0 347.463 2.025 10 70 EEIERO COCCOc1ccc(Cl)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160215140 463324138 /nfs/dbraw/zinc/32/41/38/463324138.db2.gz IGNFYDWTXQXCFQ-OKILXGFUSA-N 1 0 338.835 2.332 10 70 EEIERO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000161125207 463402552 /nfs/dbraw/zinc/40/25/52/463402552.db2.gz LRPXWTBRSFWYPA-VIFPVBQESA-N 1 0 330.222 2.469 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000161266516 463414612 /nfs/dbraw/zinc/41/46/12/463414612.db2.gz JYVDSUMXXMNPBV-LRDDRELGSA-N 1 0 336.386 2.489 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)NC2CCN(c3ccccc3)CC2)CC1 ZINC000159734612 529022317 /nfs/dbraw/zinc/02/23/17/529022317.db2.gz WVRVGPXXGFVSGW-UHFFFAOYSA-N 1 0 330.476 2.393 10 70 EEIERO Cc1ccn(-c2ccccc2NC(=O)N[C@H](C)[C@H]2CN(C)CCO2)n1 ZINC000160580900 539522023 /nfs/dbraw/zinc/52/20/23/539522023.db2.gz ICPWMDYLBAUZRZ-RHSMWYFYSA-N 1 0 343.431 2.021 10 70 EEIERO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000160955121 295829267 /nfs/dbraw/zinc/82/92/67/295829267.db2.gz UTHKIAMMJOTOKE-ZACQAIPSSA-N 1 0 333.476 2.214 10 70 EEIERO O=C(CCc1ccc2c(c1)OCCO2)N1CCC([NH2+]CC2CC2)CC1 ZINC000159814074 143803520 /nfs/dbraw/zinc/80/35/20/143803520.db2.gz DNHZISIQTYXTGZ-UHFFFAOYSA-N 1 0 344.455 2.381 10 70 EEIERO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160304335 225385886 /nfs/dbraw/zinc/38/58/86/225385886.db2.gz MEJBNNPKIDIMAN-KRWDZBQOSA-N 1 0 332.469 2.448 10 70 EEIERO O=C(CCOc1ccc(Cl)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160145336 225348014 /nfs/dbraw/zinc/34/80/14/225348014.db2.gz DHCZWAUFJRRROL-HNNXBMFYSA-N 1 0 340.851 2.072 10 70 EEIERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CCO1 ZINC000160461391 225420673 /nfs/dbraw/zinc/42/06/73/225420673.db2.gz LUMDZUFECAQVEF-QRVBRYPASA-N 1 0 345.487 2.370 10 70 EEIERO C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[N@H+](C)C1CC1 ZINC000161310839 279343811 /nfs/dbraw/zinc/34/38/11/279343811.db2.gz RAEFHYQFHKKBSQ-ZJUUUORDSA-N 1 0 344.381 2.132 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)c1ccccc1 ZINC000160414570 311353803 /nfs/dbraw/zinc/35/38/03/311353803.db2.gz UCZXQEMDGGAHPF-GOSISDBHSA-N 1 0 345.487 2.433 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160495567 311354817 /nfs/dbraw/zinc/35/48/17/311354817.db2.gz TXBOFQOXTISFQY-HNNXBMFYSA-N 1 0 341.455 2.451 10 70 EEIERO O=C(c1cnn(-c2ccc(Cl)cc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160018994 463316317 /nfs/dbraw/zinc/31/63/17/463316317.db2.gz BBXPUGUGKRVLGE-GASCZTMLSA-N 1 0 330.819 2.492 10 70 EEIERO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC(=O)OC(C)C)[C@H](C)C1 ZINC000160068749 463317578 /nfs/dbraw/zinc/31/75/78/463317578.db2.gz CBLVHIJERAIBDZ-CABCVRRESA-N 1 0 327.469 2.090 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000160234735 463324286 /nfs/dbraw/zinc/32/42/86/463324286.db2.gz ZLOUIIOZXPYUMP-DSKINZAPSA-N 1 0 342.483 2.244 10 70 EEIERO C[C@@H](CCc1cccc(F)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160413943 463335922 /nfs/dbraw/zinc/33/59/22/463335922.db2.gz ORPSZGZHCANJEH-YJBOKZPZSA-N 1 0 336.451 2.357 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160564887 463349938 /nfs/dbraw/zinc/34/99/38/463349938.db2.gz RAZFMXGRRGQKBN-GDBMZVCRSA-N 1 0 347.434 2.488 10 70 EEIERO CCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161140572 463403135 /nfs/dbraw/zinc/40/31/35/463403135.db2.gz JZIVTHYZLOIQCT-XLIONFOSSA-N 1 0 346.471 2.329 10 70 EEIERO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161178374 463407606 /nfs/dbraw/zinc/40/76/06/463407606.db2.gz HORCNJSUGMAEKD-UYAOXDASSA-N 1 0 330.472 2.281 10 70 EEIERO C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000161413087 463428743 /nfs/dbraw/zinc/42/87/43/463428743.db2.gz QBKAWGNILDEGLH-QXGIVVGOSA-N 1 0 327.472 2.175 10 70 EEIERO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868258 533784844 /nfs/dbraw/zinc/78/48/44/533784844.db2.gz CVLQXDLALDEPAV-HOCLYGCPSA-N 1 0 346.475 2.036 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000159830563 529029379 /nfs/dbraw/zinc/02/93/79/529029379.db2.gz HQPOLZVBHVUCOK-HNNXBMFYSA-N 1 0 349.475 2.372 10 70 EEIERO CCCCNC(=O)NC(=O)C[N@H+](CCc1nccs1)C(C)C ZINC000159759289 311345793 /nfs/dbraw/zinc/34/57/93/311345793.db2.gz AMKJWVPJAFAEIG-UHFFFAOYSA-N 1 0 326.466 2.022 10 70 EEIERO CC(=O)N[C@H](CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC000160528781 311355154 /nfs/dbraw/zinc/35/51/54/311355154.db2.gz ZZDGWBHQAYWSND-RTBURBONSA-N 1 0 345.487 2.491 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c(Cl)c1OC ZINC000159694064 463300075 /nfs/dbraw/zinc/30/00/75/463300075.db2.gz QHLOHROXXSHZPE-CMPLNLGQSA-N 1 0 326.824 2.443 10 70 EEIERO CN(CC[N@@H+]1CCC[C@@H]1CN1CCOCC1)Cc1ccc(F)cc1 ZINC000159833602 463306564 /nfs/dbraw/zinc/30/65/64/463306564.db2.gz FBTRVWXTIDGNJL-LJQANCHMSA-N 1 0 335.467 2.054 10 70 EEIERO CC(C)NC(=O)Nc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160317186 463329169 /nfs/dbraw/zinc/32/91/69/463329169.db2.gz DXDUELUOLQEOCB-OKILXGFUSA-N 1 0 330.432 2.183 10 70 EEIERO Cc1cc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)ccc1C(C)C ZINC000160338374 463330827 /nfs/dbraw/zinc/33/08/27/463330827.db2.gz XWQIZSFUMDGVHV-KRWDZBQOSA-N 1 0 348.487 2.460 10 70 EEIERO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCC2 ZINC000160398765 463334567 /nfs/dbraw/zinc/33/45/67/463334567.db2.gz KQALYWMXPFJZAJ-CYBMUJFWSA-N 1 0 335.517 2.440 10 70 EEIERO O=C(CCOc1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160423727 463337677 /nfs/dbraw/zinc/33/76/77/463337677.db2.gz OZSQXHMOYVRDGW-AWEZNQCLSA-N 1 0 340.851 2.072 10 70 EEIERO CC(C)[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160468151 463341708 /nfs/dbraw/zinc/34/17/08/463341708.db2.gz JPXCHNSGXGDOLF-RBUKOAKNSA-N 1 0 332.488 2.464 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324708 463421064 /nfs/dbraw/zinc/42/10/64/463421064.db2.gz XETIWILWJQYJIH-LBPRGKRZSA-N 1 0 349.385 2.394 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)no2)c1 ZINC000161478770 463433735 /nfs/dbraw/zinc/43/37/35/463433735.db2.gz GMCCRDAGNWEFBO-OAHLLOKOSA-N 1 0 345.447 2.078 10 70 EEIERO O=C(CSc1ccc2c(c1)CCC2)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000159952782 534674132 /nfs/dbraw/zinc/67/41/32/534674132.db2.gz IYEAWDSGHPJZKK-QGZVFWFLSA-N 1 0 348.512 2.230 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 ZINC000160501133 539521986 /nfs/dbraw/zinc/52/19/86/539521986.db2.gz IKUXGVRSCVIDBQ-UHFFFAOYSA-N 1 0 329.395 2.390 10 70 EEIERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000161155699 539524782 /nfs/dbraw/zinc/52/47/82/539524782.db2.gz SBXWAZJBBFHOQL-AUUYWEPGSA-N 1 0 346.427 2.371 10 70 EEIERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161109194 539525133 /nfs/dbraw/zinc/52/51/33/539525133.db2.gz CYIKKLGMIXGARY-HUUCEWRRSA-N 1 0 335.473 2.315 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160563602 463350637 /nfs/dbraw/zinc/35/06/37/463350637.db2.gz KVBCLDYJTHNRIS-RRFJBIMHSA-N 1 0 338.398 2.031 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)[C@@H](C)C1 ZINC000160660420 463360311 /nfs/dbraw/zinc/36/03/11/463360311.db2.gz RONWMZURAPUFDB-BBRMVZONSA-N 1 0 342.447 2.332 10 70 EEIERO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160776390 463369707 /nfs/dbraw/zinc/36/97/07/463369707.db2.gz SBBGUEANJWXQRR-VQIMIIECSA-N 1 0 334.435 2.411 10 70 EEIERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161133296 463403617 /nfs/dbraw/zinc/40/36/17/463403617.db2.gz AQHVKCNDPBMMAP-HNNXBMFYSA-N 1 0 337.468 2.162 10 70 EEIERO CC(C)n1ccnc1CS(=O)(=O)Cc1noc(C(C)(C)C)n1 ZINC000161221135 463411821 /nfs/dbraw/zinc/41/18/21/463411821.db2.gz YVVOIKVJLJTMDK-UHFFFAOYSA-N 1 0 326.422 2.260 10 70 EEIERO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161487904 463432921 /nfs/dbraw/zinc/43/29/21/463432921.db2.gz TTWVVQJQPXDQPK-YOEHRIQHSA-N 1 0 348.468 2.485 10 70 EEIERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362615 282186458 /nfs/dbraw/zinc/18/64/58/282186458.db2.gz NSQAYNPIJNMECU-WDEREUQCSA-N 1 0 344.381 2.086 10 70 EEIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000159570132 225241259 /nfs/dbraw/zinc/24/12/59/225241259.db2.gz VTMDSCWONWHCNH-QYZOEREBSA-N 1 0 345.487 2.416 10 70 EEIERO Cc1nc(CC(C)C)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000160361598 273985442 /nfs/dbraw/zinc/98/54/42/273985442.db2.gz UMQHRBTUFOBBKF-AWEZNQCLSA-N 1 0 339.505 2.227 10 70 EEIERO CC(=O)N[C@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159798912 463304975 /nfs/dbraw/zinc/30/49/75/463304975.db2.gz OEMBLOAJVZTYQA-LJQANCHMSA-N 1 0 343.471 2.245 10 70 EEIERO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356726 463329681 /nfs/dbraw/zinc/32/96/81/463329681.db2.gz ZQWLZADZTJEJII-IUODEOHRSA-N 1 0 337.431 2.141 10 70 EEIERO CC(C)CCn1ccc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)n1 ZINC000160826235 539523931 /nfs/dbraw/zinc/52/39/31/539523931.db2.gz KQOMANJOIIWAMY-UHFFFAOYSA-N 1 0 333.440 2.331 10 70 EEIERO O=C(Cc1ccc(Cl)c(Cl)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160254077 237236554 /nfs/dbraw/zinc/23/65/54/237236554.db2.gz WWAWUSRACKRNRT-ZDUSSCGKSA-N 1 0 345.270 2.499 10 70 EEIERO COc1ccsc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160301509 533102175 /nfs/dbraw/zinc/10/21/75/533102175.db2.gz FEOFSCFGGVNAIF-GFCCVEGCSA-N 1 0 332.491 2.155 10 70 EEIERO Cc1nc(CN2CCC(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)cs1 ZINC000160197426 143807965 /nfs/dbraw/zinc/80/79/65/143807965.db2.gz LJWJDDCBFQKLBH-IYBDPMFKSA-N 1 0 348.516 2.016 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000161354266 311365166 /nfs/dbraw/zinc/36/51/66/311365166.db2.gz NQZMBSPRNCPGFZ-HIFRSBDPSA-N 1 0 339.480 2.088 10 70 EEIERO Cc1ccc(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000160597500 463354335 /nfs/dbraw/zinc/35/43/35/463354335.db2.gz MPECIYNCPNUPBH-GOSISDBHSA-N 1 0 346.471 2.229 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000161271005 463415072 /nfs/dbraw/zinc/41/50/72/463415072.db2.gz OHSSQGMTNSEESU-HNNXBMFYSA-N 1 0 346.475 2.332 10 70 EEIERO CCC[C@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)[NH+](C)C ZINC000161456598 463432456 /nfs/dbraw/zinc/43/24/56/463432456.db2.gz BIJBLKYVQQQLCM-OAHLLOKOSA-N 1 0 331.416 2.004 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000159522905 527775803 /nfs/dbraw/zinc/77/58/03/527775803.db2.gz DUODQXYXMLGHJH-MRXNPFEDSA-N 1 0 335.448 2.320 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccccc2)CCCC1 ZINC000160475423 295676467 /nfs/dbraw/zinc/67/64/67/295676467.db2.gz KROHVCRWIZPHOK-SFHVURJKSA-N 1 0 330.472 2.461 10 70 EEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N[C@H]1CCOc2ccccc21 ZINC000160958999 539524070 /nfs/dbraw/zinc/52/40/70/539524070.db2.gz DHQZDQNGAWCOSP-OXFYSEKESA-N 1 0 344.455 2.253 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160678115 463361623 /nfs/dbraw/zinc/36/16/23/463361623.db2.gz CUZGDAZVVXJQDH-GJZGRUSLSA-N 1 0 338.398 2.297 10 70 EEIERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1C ZINC000160896974 463380422 /nfs/dbraw/zinc/38/04/22/463380422.db2.gz STWJACLVYFNLNF-QWRGUYRKSA-N 1 0 333.358 2.392 10 70 EEIERO Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)no1 ZINC000160904234 463380490 /nfs/dbraw/zinc/38/04/90/463380490.db2.gz XXNGZMJEOFHJER-AWEZNQCLSA-N 1 0 329.404 2.141 10 70 EEIERO CC(C)([NH3+])CNC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000159987974 278628926 /nfs/dbraw/zinc/62/89/26/278628926.db2.gz XQLLEGKGIQMONF-NSHDSACASA-N 1 0 344.381 2.170 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCNC(=O)C(C)(C)C ZINC000160504787 311355007 /nfs/dbraw/zinc/35/50/07/311355007.db2.gz OSJMDJDPGYCMCA-OAHLLOKOSA-N 1 0 325.497 2.166 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000160557055 311355569 /nfs/dbraw/zinc/35/55/69/311355569.db2.gz FBVOJOKGIGUJRY-DOTOQJQBSA-N 1 0 346.475 2.433 10 70 EEIERO CN(C)c1ncccc1CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160577791 311355946 /nfs/dbraw/zinc/35/59/46/311355946.db2.gz XBFILCDZNNGEHF-UHFFFAOYSA-N 1 0 342.325 2.228 10 70 EEIERO CNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)s1 ZINC000160379676 463333426 /nfs/dbraw/zinc/33/34/26/463333426.db2.gz MBJPZFRKYMSIFI-JSGCOSHPSA-N 1 0 345.472 2.220 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[N@H+](C)CC34CCCCC4)cnc21 ZINC000160665258 463360226 /nfs/dbraw/zinc/36/02/26/463360226.db2.gz SQPFFRFRCQHBRN-UHFFFAOYSA-N 1 0 327.432 2.059 10 70 EEIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)N1CCC(c2ccccc2)=N1 ZINC000160965564 463385899 /nfs/dbraw/zinc/38/58/99/463385899.db2.gz PLYYDUOXVHXSBA-XLIONFOSSA-N 1 0 341.455 2.250 10 70 EEIERO CC(C)C[C@@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159739379 528268756 /nfs/dbraw/zinc/26/87/56/528268756.db2.gz JXSPKEOAXRXDSN-OAHLLOKOSA-N 1 0 340.489 2.232 10 70 EEIERO OC1(C[NH+]2CCC(c3nc(-c4ccccc4)no3)CC2)CCOCC1 ZINC000159846262 143802839 /nfs/dbraw/zinc/80/28/39/143802839.db2.gz HLYKUQQCZGHLKI-UHFFFAOYSA-N 1 0 343.427 2.458 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc2ccc(Cl)cc2[nH]1 ZINC000160068484 225329754 /nfs/dbraw/zinc/32/97/54/225329754.db2.gz LQRBBJRKMRGVKR-AWEZNQCLSA-N 1 0 335.835 2.398 10 70 EEIERO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccsc1 ZINC000159385596 311340587 /nfs/dbraw/zinc/34/05/87/311340587.db2.gz MUGPOGKLQDPHFN-WBVHZDCISA-N 1 0 335.517 2.480 10 70 EEIERO O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160566345 463350217 /nfs/dbraw/zinc/35/02/17/463350217.db2.gz ZKMJQQLLWXQTJR-HNNXBMFYSA-N 1 0 349.862 2.327 10 70 EEIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccsc2)C1 ZINC000160709618 463364248 /nfs/dbraw/zinc/36/42/48/463364248.db2.gz FDFIQGSFDKCVIA-BBRMVZONSA-N 1 0 335.473 2.315 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)C1 ZINC000160844377 463375823 /nfs/dbraw/zinc/37/58/23/463375823.db2.gz OPZZLGBABNAIEW-MNOVXSKESA-N 1 0 333.358 2.296 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC2CC2)cc1 ZINC000160062278 237229756 /nfs/dbraw/zinc/22/97/56/237229756.db2.gz AQMVUAZMNPIOID-KRWDZBQOSA-N 1 0 332.444 2.052 10 70 EEIERO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160305191 533063710 /nfs/dbraw/zinc/06/37/10/533063710.db2.gz XLAUBMLSTDVMAF-CYBMUJFWSA-N 1 0 344.452 2.233 10 70 EEIERO CCc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000159480305 255795726 /nfs/dbraw/zinc/79/57/26/255795726.db2.gz FAWHFZXYFNBRAB-LBPRGKRZSA-N 1 0 348.472 2.079 10 70 EEIERO C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C[C@H]1CCC[C@@H]1O ZINC000159544403 311343036 /nfs/dbraw/zinc/34/30/36/311343036.db2.gz LTDRTUDLAJPCAL-SJORKVTESA-N 1 0 348.491 2.495 10 70 EEIERO C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159715803 311344977 /nfs/dbraw/zinc/34/49/77/311344977.db2.gz FJSYGJRPVFFDTA-SFHVURJKSA-N 1 0 336.524 2.378 10 70 EEIERO COc1cccc([C@@H](CNC(=O)[C@H](C)C2CCOCC2)[NH+](C)C)c1 ZINC000160373312 311353638 /nfs/dbraw/zinc/35/36/38/311353638.db2.gz VRDPNVVHLMTTPA-RDTXWAMCSA-N 1 0 334.460 2.477 10 70 EEIERO Cc1cnn(CCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000160288109 463326000 /nfs/dbraw/zinc/32/60/00/463326000.db2.gz CUPGKWMQPKMMEM-UHFFFAOYSA-N 1 0 335.496 2.345 10 70 EEIERO Cc1cccc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160501142 463343708 /nfs/dbraw/zinc/34/37/08/463343708.db2.gz NUERYMXVEGAQNE-KRWDZBQOSA-N 1 0 334.460 2.117 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160678930 463361327 /nfs/dbraw/zinc/36/13/27/463361327.db2.gz ROWYVGHYGYQYDW-ZBFHGGJFSA-N 1 0 338.398 2.297 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000160198216 534624481 /nfs/dbraw/zinc/62/44/81/534624481.db2.gz WZORFSJEKCAQLT-LBPRGKRZSA-N 1 0 330.350 2.282 10 70 EEIERO C[NH+](C)CCn1cc(NC(=O)NCc2ccn(C3CCCC3)n2)cn1 ZINC000160239072 539520202 /nfs/dbraw/zinc/52/02/02/539520202.db2.gz VOUZKKPQVZLNNS-UHFFFAOYSA-N 1 0 345.451 2.078 10 70 EEIERO Cc1ccc(O)c(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159583955 539516897 /nfs/dbraw/zinc/51/68/97/539516897.db2.gz LMDPNRJLVHKFJV-INIZCTEOSA-N 1 0 332.444 2.418 10 70 EEIERO O=C(Cc1ccccc1C(F)(F)F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160189553 225356811 /nfs/dbraw/zinc/35/68/11/225356811.db2.gz LPHPKTGQNYBTMW-AWEZNQCLSA-N 1 0 344.377 2.211 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccnn2C[C@H]2CCOC2)CC1 ZINC000159579127 311343506 /nfs/dbraw/zinc/34/35/06/311343506.db2.gz UVPBRAXDRRVDDH-HWOWSKLDSA-N 1 0 349.479 2.162 10 70 EEIERO CNC(=O)c1cccc(CCC(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000160875801 311359780 /nfs/dbraw/zinc/35/97/80/311359780.db2.gz UFYFWCXOMTXIOV-UHFFFAOYSA-N 1 0 340.427 2.074 10 70 EEIERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)c(SC)c1 ZINC000161304504 311364260 /nfs/dbraw/zinc/36/42/60/311364260.db2.gz WXPVUBDDTJBASN-CYBMUJFWSA-N 1 0 326.437 2.388 10 70 EEIERO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160634775 463357234 /nfs/dbraw/zinc/35/72/34/463357234.db2.gz PBYYRIXLEUMZSN-IBGZPJMESA-N 1 0 340.471 2.420 10 70 EEIERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2ccsc2)C1 ZINC000160709879 463364467 /nfs/dbraw/zinc/36/44/67/463364467.db2.gz FDFIQGSFDKCVIA-CJNGLKHVSA-N 1 0 335.473 2.315 10 70 EEIERO CCC[C@@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+](C)C ZINC000161361878 463425383 /nfs/dbraw/zinc/42/53/83/463425383.db2.gz YETYDGHRWOAEQO-HNNXBMFYSA-N 1 0 328.420 2.344 10 70 EEIERO O=C(/C=C/c1ccnc2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160344687 225392268 /nfs/dbraw/zinc/39/22/68/225392268.db2.gz IMCRGBWZDMIUSP-IJDCCNJMSA-N 1 0 339.439 2.211 10 70 EEIERO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000159457727 311341600 /nfs/dbraw/zinc/34/16/00/311341600.db2.gz IXSXGJRIUSWNOC-JKSUJKDBSA-N 1 0 339.480 2.236 10 70 EEIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1CO ZINC000161118389 311362135 /nfs/dbraw/zinc/36/21/35/311362135.db2.gz XJFFUIZKELIRLO-IBGZPJMESA-N 1 0 341.455 2.151 10 70 EEIERO COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000159984719 463313025 /nfs/dbraw/zinc/31/30/25/463313025.db2.gz UBDPJTZSCGZOEN-HOCLYGCPSA-N 1 0 332.444 2.168 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CSCC(=O)c2ccccc2)C1 ZINC000161144249 463404643 /nfs/dbraw/zinc/40/46/43/463404643.db2.gz ADWJCCZYIKEVRB-ZBFHGGJFSA-N 1 0 334.485 2.447 10 70 EEIERO CC(C)N(C[C@H](C)O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161255763 463413659 /nfs/dbraw/zinc/41/36/59/463413659.db2.gz NGUAWQBUJRYHEQ-JKSUJKDBSA-N 1 0 348.491 2.408 10 70 EEIERO CCC[C@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CC[N@@H+]1CCOC ZINC000161296898 463416937 /nfs/dbraw/zinc/41/69/37/463416937.db2.gz ZZVZYRVXRXVXBG-DOTOQJQBSA-N 1 0 347.459 2.262 10 70 EEIERO Cc1nc(-c2c[nH]c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2)cs1 ZINC000160171734 534856222 /nfs/dbraw/zinc/85/62/22/534856222.db2.gz XMGVIKCTQBEPBG-AWEZNQCLSA-N 1 0 348.472 2.023 10 70 EEIERO C[C@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160035979 311349147 /nfs/dbraw/zinc/34/91/47/311349147.db2.gz ZFNHUBFZDBAHML-WMZOPIPTSA-N 1 0 342.487 2.139 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc(-c2ccccc2)nn1 ZINC000160371307 311353598 /nfs/dbraw/zinc/35/35/98/311353598.db2.gz UFOZKBRHCNIPEM-QGZVFWFLSA-N 1 0 341.459 2.182 10 70 EEIERO CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159399771 463284367 /nfs/dbraw/zinc/28/43/67/463284367.db2.gz VGBSQPKNGSFLLE-NSHDSACASA-N 1 0 344.381 2.088 10 70 EEIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000159698585 463299562 /nfs/dbraw/zinc/29/95/62/463299562.db2.gz VTABWDIDVKVGQI-OAHLLOKOSA-N 1 0 344.463 2.310 10 70 EEIERO C[NH+](C)[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C1CC1 ZINC000161153674 463405595 /nfs/dbraw/zinc/40/55/95/463405595.db2.gz NSWKYAMYJRVEOU-INIZCTEOSA-N 1 0 333.407 2.023 10 70 EEIERO O=C(Cc1c[nH]c2cc(Cl)ccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160041905 237229290 /nfs/dbraw/zinc/22/92/90/237229290.db2.gz IMRYBVMDZSWPFB-HNNXBMFYSA-N 1 0 349.862 2.327 10 70 EEIERO Cc1c([C@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1ccc(F)cc1 ZINC000159533840 225234324 /nfs/dbraw/zinc/23/43/24/225234324.db2.gz ZWXIZHIKBUCVHF-ZDUSSCGKSA-N 1 0 345.422 2.378 10 70 EEIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCc1ccccc1CO ZINC000161118285 311362495 /nfs/dbraw/zinc/36/24/95/311362495.db2.gz XJFFUIZKELIRLO-LJQANCHMSA-N 1 0 341.455 2.151 10 70 EEIERO Cc1ccc(OCCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c(C)c1 ZINC000161199900 311363444 /nfs/dbraw/zinc/36/34/44/311363444.db2.gz MYTWAQDGHXRQEC-QZTJIDSGSA-N 1 0 348.487 2.376 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)cc1OC(F)F ZINC000159601128 463294839 /nfs/dbraw/zinc/29/48/39/463294839.db2.gz WVCSDBZBCBJYFR-ZYHUDNBSSA-N 1 0 328.359 2.382 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c(Cl)c1OC ZINC000159693785 463300022 /nfs/dbraw/zinc/30/00/22/463300022.db2.gz QHLOHROXXSHZPE-JQWIXIFHSA-N 1 0 326.824 2.443 10 70 EEIERO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(S(C)(=O)=O)C2)n1 ZINC000159924478 463309883 /nfs/dbraw/zinc/30/98/83/463309883.db2.gz LCLRQJBXHHBXJK-DOTOQJQBSA-N 1 0 337.489 2.199 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NCCC[NH+]3CCCCCC3)no2)c1 ZINC000160377884 463332590 /nfs/dbraw/zinc/33/25/90/463332590.db2.gz SZJQUSYDFMSFEO-UHFFFAOYSA-N 1 0 345.447 2.224 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000160484488 463342918 /nfs/dbraw/zinc/34/29/18/463342918.db2.gz FIWGMJLRRZFEQI-AWEZNQCLSA-N 1 0 341.249 2.026 10 70 EEIERO CC(C)C[C@H](CCO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160617693 463356214 /nfs/dbraw/zinc/35/62/14/463356214.db2.gz CVVBIJOPJKGYHV-CGZBRXJRSA-N 1 0 327.513 2.451 10 70 EEIERO CC(C)N(C[C@@H](C)O)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161255659 463413402 /nfs/dbraw/zinc/41/34/02/463413402.db2.gz NGUAWQBUJRYHEQ-HZPDHXFCSA-N 1 0 348.491 2.408 10 70 EEIERO C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000161412961 463429068 /nfs/dbraw/zinc/42/90/68/463429068.db2.gz QBKAWGNILDEGLH-DYJHLDHHSA-N 1 0 327.472 2.175 10 70 EEIERO CCC[C@H](C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)[NH+](C)C ZINC000159556929 527989265 /nfs/dbraw/zinc/98/92/65/527989265.db2.gz PNUKQHDJEAELNG-OAHLLOKOSA-N 1 0 346.431 2.333 10 70 EEIERO CCC(CC)(CNC(=O)NC1CCC(C[NH+](C)C)CC1)C(=O)OC ZINC000160925868 282099179 /nfs/dbraw/zinc/09/91/79/282099179.db2.gz UQRLISNQXFEUCQ-UHFFFAOYSA-N 1 0 341.496 2.385 10 70 EEIERO Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc21 ZINC000160261532 278697562 /nfs/dbraw/zinc/69/75/62/278697562.db2.gz OHQCGQIDUWOWSK-AWEZNQCLSA-N 1 0 333.407 2.192 10 70 EEIERO O=S(=O)(c1c(F)cc(F)cc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000160151291 225350309 /nfs/dbraw/zinc/35/03/09/225350309.db2.gz ZGTHSKMDPMZWCC-UHFFFAOYSA-N 1 0 348.390 2.257 10 70 EEIERO [NH3+][C@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)C1 ZINC000161340307 225607074 /nfs/dbraw/zinc/60/70/74/225607074.db2.gz JZGXDSKGHOXMLQ-RYUDHWBXSA-N 1 0 328.372 2.261 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[C@@H](O)C(C)C ZINC000160248395 311351889 /nfs/dbraw/zinc/35/18/89/311351889.db2.gz ONNNWOUXMHHZLG-CVEARBPZSA-N 1 0 327.513 2.449 10 70 EEIERO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1NC(C)=O ZINC000160336637 463330002 /nfs/dbraw/zinc/33/00/02/463330002.db2.gz NPUDSSRQVHAPFP-SMDDNHRTSA-N 1 0 326.462 2.418 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cnc21 ZINC000160574837 463351302 /nfs/dbraw/zinc/35/13/02/463351302.db2.gz CEAJULNZXUHADB-HNNXBMFYSA-N 1 0 327.432 2.059 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)OCc1ccccc1 ZINC000160594707 463353857 /nfs/dbraw/zinc/35/38/57/463353857.db2.gz LJRBCWQILJYXIG-QGZVFWFLSA-N 1 0 347.459 2.149 10 70 EEIERO Cc1conc1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000161020052 463392256 /nfs/dbraw/zinc/39/22/56/463392256.db2.gz RFCZTXIEPZTRLD-HNNXBMFYSA-N 1 0 348.447 2.036 10 70 EEIERO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000161180517 463407758 /nfs/dbraw/zinc/40/77/58/463407758.db2.gz WWYFRJMZBIVNBY-YLJYHZDGSA-N 1 0 346.471 2.281 10 70 EEIERO O[C@H](COCc1cccs1)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161183237 463408309 /nfs/dbraw/zinc/40/83/09/463408309.db2.gz NXRLYZGLDWEHNI-HLLBOEOZSA-N 1 0 325.474 2.253 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NCCC[NH+]3CCC(C)CC3)no2)c1 ZINC000160214031 225361601 /nfs/dbraw/zinc/36/16/01/225361601.db2.gz QZOGUUITCMILKJ-UHFFFAOYSA-N 1 0 345.447 2.080 10 70 EEIERO COc1ccc([C@H](CNC(=O)N[C@H]2CCO[C@H]2C)[NH+]2CCCC2)cc1 ZINC000160606062 463355347 /nfs/dbraw/zinc/35/53/47/463355347.db2.gz XHKOMIAXRGVYTQ-WBAXXEDZSA-N 1 0 347.459 2.309 10 70 EEIERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C ZINC000160637379 463357784 /nfs/dbraw/zinc/35/77/84/463357784.db2.gz NDYXPDRKHVXZHL-XJKSGUPXSA-N 1 0 342.447 2.429 10 70 EEIERO C[C@@H]1C[C@@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C ZINC000160848557 463375876 /nfs/dbraw/zinc/37/58/76/463375876.db2.gz NABKGLJVHVRVIQ-PWSUYJOCSA-N 1 0 347.385 2.063 10 70 EEIERO CCN(C(=O)CS(=O)(=O)Cc1nccn1C(C)C)c1ccccc1 ZINC000161218715 463411928 /nfs/dbraw/zinc/41/19/28/463411928.db2.gz AHNYWJJQPWKZNE-UHFFFAOYSA-N 1 0 349.456 2.432 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(N2CCOC2=O)c1 ZINC000160380018 527978099 /nfs/dbraw/zinc/97/80/99/527978099.db2.gz JVTJTLPDYZBYQB-QGZVFWFLSA-N 1 0 345.443 2.493 10 70 EEIERO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc3[nH]ccc3c2)C1 ZINC000160030151 528011459 /nfs/dbraw/zinc/01/14/59/528011459.db2.gz VWACNLAGQXXYDP-KRWDZBQOSA-N 1 0 345.443 2.020 10 70 EEIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000160251450 528291685 /nfs/dbraw/zinc/29/16/85/528291685.db2.gz KTNUHILZPCBSAQ-INIZCTEOSA-N 1 0 331.460 2.302 10 70 EEIERO Cc1cccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1O ZINC000159588512 539517071 /nfs/dbraw/zinc/51/70/71/539517071.db2.gz JKRAXIOPUOLOAR-INIZCTEOSA-N 1 0 332.444 2.418 10 70 EEIERO C[C@H](C[NH+]1CCCCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160266532 311352223 /nfs/dbraw/zinc/35/22/23/311352223.db2.gz UIRGJUMWOCQPRE-OAHLLOKOSA-N 1 0 341.455 2.451 10 70 EEIERO Cc1nn(C)c(C)c1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160515170 311355021 /nfs/dbraw/zinc/35/50/21/311355021.db2.gz CPYZDTOVHHPKMC-UHFFFAOYSA-N 1 0 349.523 2.343 10 70 EEIERO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356843 463330694 /nfs/dbraw/zinc/33/06/94/463330694.db2.gz ZQWLZADZTJEJII-SWLSCSKDSA-N 1 0 337.431 2.141 10 70 EEIERO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160554136 463349211 /nfs/dbraw/zinc/34/92/11/463349211.db2.gz BRDJUSOVQMLGOS-QWFCFKBJSA-N 1 0 349.471 2.200 10 70 EEIERO CC(C)COc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160571391 463351485 /nfs/dbraw/zinc/35/14/85/463351485.db2.gz XELNXUZUQJLPRR-KRWDZBQOSA-N 1 0 334.460 2.298 10 70 EEIERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160710001 463365038 /nfs/dbraw/zinc/36/50/38/463365038.db2.gz FDFIQGSFDKCVIA-CZUORRHYSA-N 1 0 335.473 2.315 10 70 EEIERO CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160791007 463371174 /nfs/dbraw/zinc/37/11/74/463371174.db2.gz ZQVGTNFGGLNDJD-XHSDSOJGSA-N 1 0 339.480 2.282 10 70 EEIERO CCC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)[NH+](C)C ZINC000161354293 463424633 /nfs/dbraw/zinc/42/46/33/463424633.db2.gz ZNTINNUHKOLEOJ-KRWDZBQOSA-N 1 0 331.460 2.138 10 70 EEIERO O=C1[C@@H]([NH2+]C2CCC3(CC2)OCCO3)CCCN1c1ccccc1 ZINC000161487871 463433514 /nfs/dbraw/zinc/43/35/14/463433514.db2.gz GIIJRQPMSWMSBX-KRWDZBQOSA-N 1 0 330.428 2.457 10 70 EEIERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nn2c(nccc2=O)s1 ZINC000160245062 225368639 /nfs/dbraw/zinc/36/86/39/225368639.db2.gz OMPOEMQKIXIQFH-OCCSQVGLSA-N 1 0 341.440 2.083 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NCC[NH+](C(C)C)C(C)C)no2)c1 ZINC000160359465 225396551 /nfs/dbraw/zinc/39/65/51/225396551.db2.gz CZZWYFVNGVUEJZ-UHFFFAOYSA-N 1 0 333.436 2.076 10 70 EEIERO Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160492165 311354781 /nfs/dbraw/zinc/35/47/81/311354781.db2.gz VSFRWGAEUVZBLK-RHSMWYFYSA-N 1 0 334.508 2.452 10 70 EEIERO Cc1noc(Cl)c1CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000160742992 311358261 /nfs/dbraw/zinc/35/82/61/311358261.db2.gz PJNCOQHQKWYJSM-AWEZNQCLSA-N 1 0 335.835 2.468 10 70 EEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674043 463298163 /nfs/dbraw/zinc/29/81/63/463298163.db2.gz PLURGLGDAHKIIG-HIFRSBDPSA-N 1 0 326.400 2.355 10 70 EEIERO O=C(COc1cccc(Br)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159883900 463309377 /nfs/dbraw/zinc/30/93/77/463309377.db2.gz AWEIWJRPZMSYAI-BETUJISGSA-N 1 0 339.233 2.181 10 70 EEIERO CCc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160129177 463320138 /nfs/dbraw/zinc/32/01/38/463320138.db2.gz XIBBPBZLSVKNDD-HUUCEWRRSA-N 1 0 348.495 2.095 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000160393929 463334330 /nfs/dbraw/zinc/33/43/30/463334330.db2.gz GFGVDYHTARHOMV-GVDBMIGSSA-N 1 0 336.863 2.407 10 70 EEIERO COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@H]2C)[NH+]2CCCC2)cc1 ZINC000160605792 463354725 /nfs/dbraw/zinc/35/47/25/463354725.db2.gz XHKOMIAXRGVYTQ-QGTPRVQTSA-N 1 0 347.459 2.309 10 70 EEIERO NC(=O)N1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000161124122 463402618 /nfs/dbraw/zinc/40/26/18/463402618.db2.gz ZEZUBYLBDZZKPD-QGZVFWFLSA-N 1 0 331.416 2.042 10 70 EEIERO CC(C)N(C[C@@H](C)O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161255417 463414119 /nfs/dbraw/zinc/41/41/19/463414119.db2.gz NGUAWQBUJRYHEQ-CVEARBPZSA-N 1 0 348.491 2.408 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000161347193 463423156 /nfs/dbraw/zinc/42/31/56/463423156.db2.gz CCKVDXXWYDQMFB-HOCLYGCPSA-N 1 0 345.491 2.267 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1F ZINC000159935933 206271987 /nfs/dbraw/zinc/27/19/87/206271987.db2.gz VLROSFIOIODOSZ-NSHDSACASA-N 1 0 348.340 2.421 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160678521 206308454 /nfs/dbraw/zinc/30/84/54/206308454.db2.gz CUZGDAZVVXJQDH-HUUCEWRRSA-N 1 0 338.398 2.297 10 70 EEIERO COc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000159980393 533332340 /nfs/dbraw/zinc/33/23/40/533332340.db2.gz GEEIPYKWBAXUIZ-HNNXBMFYSA-N 1 0 342.439 2.425 10 70 EEIERO C[C@@H]1C[C@H](NC(=O)N2CCN(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160035853 311349258 /nfs/dbraw/zinc/34/92/58/311349258.db2.gz ZFNHUBFZDBAHML-AEFFLSMTSA-N 1 0 342.487 2.139 10 70 EEIERO Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160492290 311354528 /nfs/dbraw/zinc/35/45/28/311354528.db2.gz VSFRWGAEUVZBLK-WMLDXEAASA-N 1 0 334.508 2.452 10 70 EEIERO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362474 463282079 /nfs/dbraw/zinc/28/20/79/463282079.db2.gz NSQAYNPIJNMECU-MNOVXSKESA-N 1 0 344.381 2.086 10 70 EEIERO CCN(C(=O)NCC1(C)COC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160188603 463322443 /nfs/dbraw/zinc/32/24/43/463322443.db2.gz JUEDDLONQRYFMR-KRWDZBQOSA-N 1 0 331.460 2.329 10 70 EEIERO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc2c(s1)CCC2 ZINC000160398634 463334829 /nfs/dbraw/zinc/33/48/29/463334829.db2.gz KQALYWMXPFJZAJ-ZDUSSCGKSA-N 1 0 335.517 2.440 10 70 EEIERO CCCCN(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160509511 463345205 /nfs/dbraw/zinc/34/52/05/463345205.db2.gz AAJYFPBZENIJQR-IBGZPJMESA-N 1 0 347.503 2.500 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)CSCC(=O)c2ccccc2)[C@@H](C)C1 ZINC000161144382 206331216 /nfs/dbraw/zinc/33/12/16/206331216.db2.gz ADWJCCZYIKEVRB-HOCLYGCPSA-N 1 0 334.485 2.447 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(NC(=O)NC3CC3)c2)[C@@H](C)C1 ZINC000161210514 206336256 /nfs/dbraw/zinc/33/62/56/206336256.db2.gz FWMXCIGKISNLMY-GUYCJALGSA-N 1 0 344.459 2.429 10 70 EEIERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000161251917 206337784 /nfs/dbraw/zinc/33/77/84/206337784.db2.gz TZFFRHRWWLCCJM-YOEHRIQHSA-N 1 0 332.448 2.037 10 70 EEIERO CC(C)(C)c1ncsc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160651391 277277389 /nfs/dbraw/zinc/27/73/89/277277389.db2.gz BCBZQBOLEPKMNA-LBPRGKRZSA-N 1 0 325.478 2.017 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000161330609 463421928 /nfs/dbraw/zinc/42/19/28/463421928.db2.gz DDHRUURQVFOUTM-VVLHAWIVSA-N 1 0 347.507 2.370 10 70 EEIERO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CCO1 ZINC000160461114 282124091 /nfs/dbraw/zinc/12/40/91/282124091.db2.gz LUMDZUFECAQVEF-GUDVDZBRSA-N 1 0 345.487 2.370 10 70 EEIERO COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccnc(C)c1Cl ZINC000159730136 539517875 /nfs/dbraw/zinc/51/78/75/539517875.db2.gz GPXXERRZNXCWBQ-LBPRGKRZSA-N 1 0 326.828 2.276 10 70 EEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N[C@@H]1CCOc2ccccc21 ZINC000160958854 539524169 /nfs/dbraw/zinc/52/41/69/539524169.db2.gz DHQZDQNGAWCOSP-WRWLIDTKSA-N 1 0 344.455 2.253 10 70 EEIERO COc1ccccc1N1CC[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159599155 206254758 /nfs/dbraw/zinc/25/47/58/206254758.db2.gz LOTQEEAWMSRAKQ-MRXNPFEDSA-N 1 0 348.491 2.256 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159894924 206269246 /nfs/dbraw/zinc/26/92/46/206269246.db2.gz HXYXVFFQSJPOOL-CYBMUJFWSA-N 1 0 332.404 2.253 10 70 EEIERO Cc1ccc(NC(=O)CSCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159574410 463293749 /nfs/dbraw/zinc/29/37/49/463293749.db2.gz HNAJCTZHOWOVLP-IYBDPMFKSA-N 1 0 347.484 2.020 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2cccc(C)c2)C1 ZINC000161323025 463421012 /nfs/dbraw/zinc/42/10/12/463421012.db2.gz PGWOVMFCILHWCC-HNNXBMFYSA-N 1 0 327.432 2.425 10 70 EEIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc2c(c1)CCC(=O)N2C ZINC000160251577 206286118 /nfs/dbraw/zinc/28/61/18/206286118.db2.gz KTNUHILZPCBSAQ-MRXNPFEDSA-N 1 0 331.460 2.302 10 70 EEIERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000161326046 206341237 /nfs/dbraw/zinc/34/12/37/206341237.db2.gz FNQPMHUSOGGEAB-MRXNPFEDSA-N 1 0 345.487 2.421 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000160235007 303800962 /nfs/dbraw/zinc/80/09/62/303800962.db2.gz ZLOUIIOZXPYUMP-CUWPLCDZSA-N 1 0 342.483 2.244 10 70 EEIERO CC(C)Oc1cc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccn1 ZINC000160223293 311351354 /nfs/dbraw/zinc/35/13/54/311351354.db2.gz GOAMHJVDRACGOL-HOCLYGCPSA-N 1 0 334.464 2.397 10 70 EEIERO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c2ccccc21 ZINC000159514964 463289641 /nfs/dbraw/zinc/28/96/41/463289641.db2.gz NSLIPMNZTQSYFP-IIDMSEBBSA-N 1 0 343.471 2.151 10 70 EEIERO C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159857366 463308153 /nfs/dbraw/zinc/30/81/53/463308153.db2.gz KYVPELRAPKGBKR-JQHSSLGASA-N 1 0 331.460 2.470 10 70 EEIERO CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC(=O)OC(C)C)[C@H](C)C1 ZINC000160068900 463316762 /nfs/dbraw/zinc/31/67/62/463316762.db2.gz CBLVHIJERAIBDZ-HUUCEWRRSA-N 1 0 327.469 2.090 10 70 EEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000160713036 463364774 /nfs/dbraw/zinc/36/47/74/463364774.db2.gz ZVRGTSODDIHPDK-RDTXWAMCSA-N 1 0 338.398 2.208 10 70 EEIERO C[C@@]1(CNc2ccc(C(N)=O)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160796536 463371154 /nfs/dbraw/zinc/37/11/54/463371154.db2.gz HSCCXFDKJDNSBQ-SFHVURJKSA-N 1 0 325.416 2.042 10 70 EEIERO Cc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(O)c1 ZINC000159578174 539516608 /nfs/dbraw/zinc/51/66/08/539516608.db2.gz MCMZTHJCWAMSJM-MRXNPFEDSA-N 1 0 332.444 2.418 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000160589617 539523328 /nfs/dbraw/zinc/52/33/28/539523328.db2.gz QGWFXRPCKYHONU-LLVKDONJSA-N 1 0 345.365 2.244 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159961975 237226068 /nfs/dbraw/zinc/22/60/68/237226068.db2.gz NUSCCVJLNVPCIY-DZKIICNBSA-N 1 0 338.398 2.031 10 70 EEIERO C[C@H]1C[C@@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C ZINC000160848667 206315565 /nfs/dbraw/zinc/31/55/65/206315565.db2.gz NABKGLJVHVRVIQ-JQWIXIFHSA-N 1 0 347.385 2.063 10 70 EEIERO COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161065185 206326786 /nfs/dbraw/zinc/32/67/86/206326786.db2.gz QUSZZEHBGJHGQI-QWFCFKBJSA-N 1 0 349.471 2.200 10 70 EEIERO CNC(=O)c1cccc(CCC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159779174 311346074 /nfs/dbraw/zinc/34/60/74/311346074.db2.gz KFMWFIVONHMAAP-INIZCTEOSA-N 1 0 345.487 2.217 10 70 EEIERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842687 311346890 /nfs/dbraw/zinc/34/68/90/311346890.db2.gz GGFYYEYCUSFINX-LSDHHAIUSA-N 1 0 329.448 2.469 10 70 EEIERO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160266419 311352367 /nfs/dbraw/zinc/35/23/67/311352367.db2.gz UIRGJUMWOCQPRE-HNNXBMFYSA-N 1 0 341.455 2.451 10 70 EEIERO Cc1cccc(-n2cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)nn2)c1 ZINC000160498989 311354801 /nfs/dbraw/zinc/35/48/01/311354801.db2.gz DCZOXOMAKNJJTA-QGZVFWFLSA-N 1 0 341.459 2.426 10 70 EEIERO CC[C@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1c(C)nn(C)c1C ZINC000161017054 311361097 /nfs/dbraw/zinc/36/10/97/311361097.db2.gz GJJMRKDMAWJWQQ-KRWDZBQOSA-N 1 0 344.459 2.403 10 70 EEIERO C[C@H](Oc1cccc(CO)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000161088559 311361774 /nfs/dbraw/zinc/36/17/74/311361774.db2.gz RHXDDJQRPNRNFC-INIZCTEOSA-N 1 0 334.460 2.329 10 70 EEIERO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160558582 463349390 /nfs/dbraw/zinc/34/93/90/463349390.db2.gz OFYIHTQCVUWQPK-QRWLVFNGSA-N 1 0 342.439 2.300 10 70 EEIERO CC[NH2+]CC1CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000161058072 463395332 /nfs/dbraw/zinc/39/53/32/463395332.db2.gz SUKCQSOWTGHMSL-MRXNPFEDSA-N 1 0 347.484 2.338 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(C(F)(F)F)ccc1F ZINC000160236810 206286387 /nfs/dbraw/zinc/28/63/87/206286387.db2.gz FPMXRSXXIBNGHP-LBPRGKRZSA-N 1 0 348.340 2.421 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160563204 206303469 /nfs/dbraw/zinc/30/34/69/206303469.db2.gz KVBCLDYJTHNRIS-KKUMJFAQSA-N 1 0 338.398 2.031 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(C)(C)NC(=O)Nc2ccccc2)C1 ZINC000161411447 206346394 /nfs/dbraw/zinc/34/63/94/206346394.db2.gz HVJNYDZRTHIKHY-ZBFHGGJFSA-N 1 0 346.475 2.432 10 70 EEIERO CCOC(=O)c1ccn(-c2ccccc2NC(=O)CC[NH2+]C(C)C)n1 ZINC000159463973 311341429 /nfs/dbraw/zinc/34/14/29/311341429.db2.gz PPHQRMALBKPSGV-UHFFFAOYSA-N 1 0 344.415 2.376 10 70 EEIERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)on1 ZINC000159840317 311347162 /nfs/dbraw/zinc/34/71/62/311347162.db2.gz PPQWBZYTGUVGHU-CHWSQXEVSA-N 1 0 340.387 2.242 10 70 EEIERO CC(C)[NH+]1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159523209 463289541 /nfs/dbraw/zinc/28/95/41/463289541.db2.gz UEERDOPLTKVCKU-NSHDSACASA-N 1 0 344.381 2.086 10 70 EEIERO Cn1ccnc1SCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)o1 ZINC000159912314 463310159 /nfs/dbraw/zinc/31/01/59/463310159.db2.gz FLHLYHFJGHNMJP-BETUJISGSA-N 1 0 346.456 2.272 10 70 EEIERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160826010 463373752 /nfs/dbraw/zinc/37/37/52/463373752.db2.gz NGMDFFDCDRYVSP-KGLIPLIRSA-N 1 0 343.431 2.146 10 70 EEIERO C[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccs1 ZINC000159384939 206242954 /nfs/dbraw/zinc/24/29/54/206242954.db2.gz QUGCWCZQONJHAE-JKSUJKDBSA-N 1 0 335.517 2.480 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159898755 206270646 /nfs/dbraw/zinc/27/06/46/206270646.db2.gz ZPLGMQFSAHTBQL-CQSZACIVSA-N 1 0 332.448 2.384 10 70 EEIERO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160501928 206300525 /nfs/dbraw/zinc/30/05/25/206300525.db2.gz UNWMMTRFJDOTSN-NHYWBVRUSA-N 1 0 343.431 2.219 10 70 EEIERO C[C@@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C[NH+]1CCCC1 ZINC000161102007 311362318 /nfs/dbraw/zinc/36/23/18/311362318.db2.gz GAHUDDZIMZZSEQ-HNNXBMFYSA-N 1 0 341.455 2.309 10 70 EEIERO CCC[C@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[NH+](C)C ZINC000161497657 311366710 /nfs/dbraw/zinc/36/67/10/311366710.db2.gz PJDARBNECKUEHZ-CVEARBPZSA-N 1 0 333.432 2.473 10 70 EEIERO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1C ZINC000160896871 463380408 /nfs/dbraw/zinc/38/04/08/463380408.db2.gz STWJACLVYFNLNF-MNOVXSKESA-N 1 0 333.358 2.392 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000161324262 463420809 /nfs/dbraw/zinc/42/08/09/463420809.db2.gz QVRJFGSJYWQPPW-OAHLLOKOSA-N 1 0 327.432 2.425 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)CC1 ZINC000160531976 539522364 /nfs/dbraw/zinc/52/23/64/539522364.db2.gz HADBTPSNRMJBMN-DQPZFDDXSA-N 1 0 349.479 2.304 10 70 EEIERO C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362755 206241186 /nfs/dbraw/zinc/24/11/86/206241186.db2.gz NSQAYNPIJNMECU-QWRGUYRKSA-N 1 0 344.381 2.086 10 70 EEIERO CCc1ccc(C(=O)CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160006445 206275118 /nfs/dbraw/zinc/27/51/18/206275118.db2.gz SGCYFNWTFBGIIO-SFHVURJKSA-N 1 0 346.471 2.175 10 70 EEIERO Cc1ccc2cccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)c2n1 ZINC000160010221 206275262 /nfs/dbraw/zinc/27/52/62/206275262.db2.gz GRTMUOKRHPQOHM-INIZCTEOSA-N 1 0 327.428 2.120 10 70 EEIERO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)on1 ZINC000159840076 311347199 /nfs/dbraw/zinc/34/71/99/311347199.db2.gz PPQWBZYTGUVGHU-QWHCGFSZSA-N 1 0 340.387 2.242 10 70 EEIERO CCC[NH+]1CCC(CNC(=O)NCc2cccc(N(C)C)n2)CC1 ZINC000160376065 311353529 /nfs/dbraw/zinc/35/35/29/311353529.db2.gz GYGOJMTVRRZRIZ-UHFFFAOYSA-N 1 0 333.480 2.069 10 70 EEIERO C[C@@H]1CCC[N@H+](CCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160498901 311354769 /nfs/dbraw/zinc/35/47/69/311354769.db2.gz SAAZEOCKOWFHSH-OAHLLOKOSA-N 1 0 341.455 2.309 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC(F)F ZINC000159601005 463295562 /nfs/dbraw/zinc/29/55/62/463295562.db2.gz WVCSDBZBCBJYFR-JQWIXIFHSA-N 1 0 328.359 2.382 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000160603091 463354326 /nfs/dbraw/zinc/35/43/26/463354326.db2.gz CHJFHTFXQPKZIB-LSDHHAIUSA-N 1 0 348.495 2.095 10 70 EEIERO CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161090662 463398580 /nfs/dbraw/zinc/39/85/80/463398580.db2.gz KRFPDEVQVHYTOL-HNNXBMFYSA-N 1 0 337.468 2.258 10 70 EEIERO CC(C)N(C[C@H](C)O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160859252 279449126 /nfs/dbraw/zinc/44/91/26/279449126.db2.gz HIEUVUUSIIBCHE-HNNXBMFYSA-N 1 0 343.537 2.149 10 70 EEIERO CCC[C@@H](C(=O)N1CCN(c2ccc(F)cc2OC)CC1)[NH+](C)C ZINC000159717011 311344941 /nfs/dbraw/zinc/34/49/41/311344941.db2.gz RDGLPUXDDKNRKH-INIZCTEOSA-N 1 0 337.439 2.213 10 70 EEIERO Cc1cc(C)cc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160454619 311354350 /nfs/dbraw/zinc/35/43/50/311354350.db2.gz OSFYOLALGBYOHU-GOSISDBHSA-N 1 0 345.487 2.270 10 70 EEIERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160527228 463347180 /nfs/dbraw/zinc/34/71/80/463347180.db2.gz GWMXTOGRINGFSW-YLJYHZDGSA-N 1 0 346.471 2.281 10 70 EEIERO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160685686 463362387 /nfs/dbraw/zinc/36/23/87/463362387.db2.gz HJCDREYKCUMFLN-DNVCBOLYSA-N 1 0 345.443 2.211 10 70 EEIERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000160878527 463379504 /nfs/dbraw/zinc/37/95/04/463379504.db2.gz OGKMJAOBYBDTSX-BEFAXECRSA-N 1 0 345.443 2.352 10 70 EEIERO C(CN1CCCN(Cc2noc(C3CC3)n2)CC1)C[NH+]1CCCCC1 ZINC000160962205 463386193 /nfs/dbraw/zinc/38/61/93/463386193.db2.gz ICORLLPJNUQCKV-UHFFFAOYSA-N 1 0 347.507 2.331 10 70 EEIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)C1 ZINC000161327753 463420990 /nfs/dbraw/zinc/42/09/90/463420990.db2.gz YSKZDTNOHCPXHM-KRWDZBQOSA-N 1 0 345.487 2.373 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000159910362 225300356 /nfs/dbraw/zinc/30/03/56/225300356.db2.gz WPFSYNVMIZULBQ-NWANDNLSSA-N 1 0 338.398 2.031 10 70 EEIERO COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000160268582 463324935 /nfs/dbraw/zinc/32/49/35/463324935.db2.gz SNDMJKRWRYTGFW-GASCZTMLSA-N 1 0 340.427 2.156 10 70 EEIERO C[C@@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160421796 463337218 /nfs/dbraw/zinc/33/72/18/463337218.db2.gz JSSXEIAYPADOFP-KGLIPLIRSA-N 1 0 340.851 2.070 10 70 EEIERO CCC[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)CC[N@@H+]1CCOC ZINC000161296795 463417072 /nfs/dbraw/zinc/41/70/72/463417072.db2.gz ZZVZYRVXRXVXBG-NVXWUHKLSA-N 1 0 347.459 2.262 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000161325240 463420395 /nfs/dbraw/zinc/42/03/95/463420395.db2.gz UXGXDAWDBYJQMX-AWEZNQCLSA-N 1 0 343.431 2.125 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)[C@@H](C)C1 ZINC000161373934 463426215 /nfs/dbraw/zinc/42/62/15/463426215.db2.gz BEFDLXHRQSFTET-ZBEGNZNMSA-N 1 0 331.391 2.126 10 70 EEIERO C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159868135 533323742 /nfs/dbraw/zinc/32/37/42/533323742.db2.gz CVLQXDLALDEPAV-GDBMZVCRSA-N 1 0 346.475 2.036 10 70 EEIERO C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000160105962 288816292 /nfs/dbraw/zinc/81/62/92/288816292.db2.gz AOOHGQHQKAHICW-PVAVHDDUSA-N 1 0 343.471 2.236 10 70 EEIERO COc1ccccc1-c1nnc(CN2CC[NH+](CC3CC3)CC2)o1 ZINC000159407752 463284204 /nfs/dbraw/zinc/28/42/04/463284204.db2.gz GYYQEPSXETVXJS-UHFFFAOYSA-N 1 0 328.416 2.273 10 70 EEIERO COc1ccc(Br)c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000159585938 463294317 /nfs/dbraw/zinc/29/43/17/463294317.db2.gz QHQYOZLUOOBMQV-PHIMTYICSA-N 1 0 339.233 2.424 10 70 EEIERO Cc1ccc(-c2nc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cs2)o1 ZINC000160691468 463362072 /nfs/dbraw/zinc/36/20/72/463362072.db2.gz SGRSLOQLFSLMDH-ZDUSSCGKSA-N 1 0 349.456 2.288 10 70 EEIERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161133414 463403230 /nfs/dbraw/zinc/40/32/30/463403230.db2.gz AQHVKCNDPBMMAP-OAHLLOKOSA-N 1 0 337.468 2.162 10 70 EEIERO CN(C(=O)CCc1nc(-c2ccoc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161325091 463420407 /nfs/dbraw/zinc/42/04/07/463420407.db2.gz BTWSMIBXJCVHQV-PBWFPOADSA-N 1 0 330.388 2.004 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N([C@@H](C)C2CC2)C2CC2)C1 ZINC000161347079 463423509 /nfs/dbraw/zinc/42/35/09/463423509.db2.gz CCKVDXXWYDQMFB-GOEBONIOSA-N 1 0 345.491 2.267 10 70 EEIERO C[NH+](C)C[C@@H]1CN(CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000160015734 463314118 /nfs/dbraw/zinc/31/41/18/463314118.db2.gz GHKYHONHIVCOBV-OAHLLOKOSA-N 1 0 332.366 2.390 10 70 EEIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160643915 463359209 /nfs/dbraw/zinc/35/92/09/463359209.db2.gz PUFAVGXPPMTCNV-MRXNPFEDSA-N 1 0 342.447 2.430 10 70 EEIERO CC(C)[NH2+]CCC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000161186731 463408175 /nfs/dbraw/zinc/40/81/75/463408175.db2.gz FMLJTWBLTLCTQF-UHFFFAOYSA-N 1 0 331.460 2.043 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000161284079 463415898 /nfs/dbraw/zinc/41/58/98/463415898.db2.gz HOPXITNAYZWRSW-MRXNPFEDSA-N 1 0 328.416 2.464 10 70 EEIERO C[N@H+](CCc1ccc(Br)cc1)CC1(O)CCOCC1 ZINC000160047424 529932629 /nfs/dbraw/zinc/93/26/29/529932629.db2.gz GOLDRZGQBVEHEA-UHFFFAOYSA-N 1 0 328.250 2.465 10 70 EEIERO C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159857078 225292391 /nfs/dbraw/zinc/29/23/91/225292391.db2.gz KYVPELRAPKGBKR-SZMVWBNQSA-N 1 0 331.460 2.470 10 70 EEIERO C[NH+](C)C(C)(C)CNC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000159535186 311342461 /nfs/dbraw/zinc/34/24/61/311342461.db2.gz HRTZBCBIBGIMTC-QGZVFWFLSA-N 1 0 327.469 2.232 10 70 EEIERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159843040 311347189 /nfs/dbraw/zinc/34/71/89/311347189.db2.gz GGFYYEYCUSFINX-CABCVRRESA-N 1 0 329.448 2.469 10 70 EEIERO NC(=O)C[C@H]1CCCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000159859219 311347590 /nfs/dbraw/zinc/34/75/90/311347590.db2.gz QIIWRDSLZLFWOV-OAHLLOKOSA-N 1 0 328.416 2.399 10 70 EEIERO CC[N@H+](Cc1ccc(C(=O)N[C@H](C)Cn2cncn2)cc1)C(C)C ZINC000160462353 311354361 /nfs/dbraw/zinc/35/43/61/311354361.db2.gz FSJSDVDTXJWKJY-OAHLLOKOSA-N 1 0 329.448 2.327 10 70 EEIERO CCC[C@H](C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[NH+](C)C ZINC000161497849 311367075 /nfs/dbraw/zinc/36/70/75/311367075.db2.gz PJDARBNECKUEHZ-HZPDHXFCSA-N 1 0 333.432 2.473 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160033237 463315643 /nfs/dbraw/zinc/31/56/43/463315643.db2.gz SPQFPRRMHLEPLT-INIZCTEOSA-N 1 0 339.480 2.378 10 70 EEIERO COc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000160726676 463365771 /nfs/dbraw/zinc/36/57/71/463365771.db2.gz MNVIRXQWFQUTGC-PHIMTYICSA-N 1 0 326.343 2.263 10 70 EEIERO CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160807945 463372721 /nfs/dbraw/zinc/37/27/21/463372721.db2.gz SARNQSMBHFLTQF-CVEARBPZSA-N 1 0 344.459 2.454 10 70 EEIERO Cc1nn(C)c(C)c1CN1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160958908 463386025 /nfs/dbraw/zinc/38/60/25/463386025.db2.gz GPYMOWDBHTZEGU-UHFFFAOYSA-N 1 0 333.524 2.031 10 70 EEIERO CC[NH+]1CCN(CCC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 ZINC000161330878 463422362 /nfs/dbraw/zinc/42/23/62/463422362.db2.gz FZSPCVQRTBMWGL-UHFFFAOYSA-N 1 0 341.459 2.147 10 70 EEIERO CC(C)[C@H]([NH2+]CC(=O)Nc1nncs1)c1ccc2c(c1)OCCO2 ZINC000161478925 463433696 /nfs/dbraw/zinc/43/36/96/463433696.db2.gz HSVVSXOTWSLPRV-HNNXBMFYSA-N 1 0 348.428 2.235 10 70 EEIERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000159435723 536321099 /nfs/dbraw/zinc/32/10/99/536321099.db2.gz IMLHTVBGCUGZDH-RHSMWYFYSA-N 1 0 342.505 2.433 10 70 EEIERO Cc1cccc2c(CCC(=O)NC[C@H](O)C[NH+]3CCCCC3)c[nH]c21 ZINC000160290321 237236146 /nfs/dbraw/zinc/23/61/46/237236146.db2.gz FCEOZYHBYVQASK-KRWDZBQOSA-N 1 0 343.471 2.372 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1Br ZINC000160498796 255797696 /nfs/dbraw/zinc/79/76/96/255797696.db2.gz ZSFSRJQLOPFVKP-LBPRGKRZSA-N 1 0 341.249 2.026 10 70 EEIERO C[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccs1 ZINC000159384808 463283409 /nfs/dbraw/zinc/28/34/09/463283409.db2.gz QUGCWCZQONJHAE-CVEARBPZSA-N 1 0 335.517 2.480 10 70 EEIERO CC(C)CN(CC[NH+](C)C)C(=O)NCc1cn(C)nc1C(F)(F)F ZINC000160781781 463370851 /nfs/dbraw/zinc/37/08/51/463370851.db2.gz KBMXZNDNTGKIBW-UHFFFAOYSA-N 1 0 349.401 2.168 10 70 EEIERO C[C@H]1C[C@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C ZINC000160848435 463375726 /nfs/dbraw/zinc/37/57/26/463375726.db2.gz NABKGLJVHVRVIQ-CMPLNLGQSA-N 1 0 347.385 2.063 10 70 EEIERO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C[C@@H](C)O)C(C)C)c2c1 ZINC000161008315 463390851 /nfs/dbraw/zinc/39/08/51/463390851.db2.gz YCVXIJJLRKBSPI-GFCCVEGCSA-N 1 0 332.400 2.228 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)NCCCc2ccc(OC)c(OC)c2)CC1 ZINC000159761620 529024744 /nfs/dbraw/zinc/02/47/44/529024744.db2.gz PTLVLOCNDBLGJV-UHFFFAOYSA-N 1 0 349.475 2.374 10 70 EEIERO Cc1cc2[nH]c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2c(C)c1 ZINC000160222708 237235011 /nfs/dbraw/zinc/23/50/11/237235011.db2.gz BELOYNFNYJNGDM-HNNXBMFYSA-N 1 0 329.444 2.361 10 70 EEIERO C[C@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCc2ccccc21 ZINC000160419506 273985761 /nfs/dbraw/zinc/98/57/61/273985761.db2.gz WIMDZSFTIJMPIW-XLIONFOSSA-N 1 0 330.472 2.244 10 70 EEIERO NC(=O)N1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000161124265 295061589 /nfs/dbraw/zinc/06/15/89/295061589.db2.gz ZEZUBYLBDZZKPD-KRWDZBQOSA-N 1 0 331.416 2.042 10 70 EEIERO COC(=O)c1csc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000160704836 311357931 /nfs/dbraw/zinc/35/79/31/311357931.db2.gz SKSJJDRBTVDQFW-PWSUYJOCSA-N 1 0 325.434 2.385 10 70 EEIERO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(C2CCOCC2)CC1 ZINC000159631913 463296701 /nfs/dbraw/zinc/29/67/01/463296701.db2.gz HJSRWMHWGIGGPR-OAHLLOKOSA-N 1 0 335.492 2.319 10 70 EEIERO CC(C)(C)CNC(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159690675 463299996 /nfs/dbraw/zinc/29/99/96/463299996.db2.gz IPELGIJZJUNHCV-CALCHBBNSA-N 1 0 343.471 2.429 10 70 EEIERO C[C@@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000160003132 463313702 /nfs/dbraw/zinc/31/37/02/463313702.db2.gz YJUQTIDUSQQTGE-RHSMWYFYSA-N 1 0 335.492 2.460 10 70 EEIERO Cn1cc(CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160631267 463357204 /nfs/dbraw/zinc/35/72/04/463357204.db2.gz KEIFTPOENZZJSD-KRWDZBQOSA-N 1 0 343.471 2.074 10 70 EEIERO C[C@@]1(CNc2nc3nncc-3c(O)[n-]2)CCC[N@@H+]1Cc1ccccc1 ZINC000160798429 463371475 /nfs/dbraw/zinc/37/14/75/463371475.db2.gz YQZHWTXDCKXMOM-SFHVURJKSA-N 1 0 338.415 2.113 10 70 EEIERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1C ZINC000160896654 463380070 /nfs/dbraw/zinc/38/00/70/463380070.db2.gz STWJACLVYFNLNF-GHMZBOCLSA-N 1 0 333.358 2.392 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC000161307912 463418078 /nfs/dbraw/zinc/41/80/78/463418078.db2.gz DRARCGAXGXXFIY-INIZCTEOSA-N 1 0 328.416 2.464 10 70 EEIERO C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCC(=O)N(C)C1)c1ccccc1 ZINC000159867988 533783228 /nfs/dbraw/zinc/78/32/28/533783228.db2.gz CVLQXDLALDEPAV-GOEBONIOSA-N 1 0 346.475 2.036 10 70 EEIERO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1NC(C)=O ZINC000160336382 159708611 /nfs/dbraw/zinc/70/86/11/159708611.db2.gz NPUDSSRQVHAPFP-FZMZJTMJSA-N 1 0 326.462 2.418 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2ccc(Cl)cc2)CC1 ZINC000160334132 225390319 /nfs/dbraw/zinc/39/03/19/225390319.db2.gz RBWDBPORRRRSLC-INIZCTEOSA-N 1 0 336.863 2.335 10 70 EEIERO C[C@@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCc2ccccc21 ZINC000160419367 273985737 /nfs/dbraw/zinc/98/57/37/273985737.db2.gz WIMDZSFTIJMPIW-FXAWDEMLSA-N 1 0 330.472 2.244 10 70 EEIERO CCCNS(=O)(=O)c1ccc(NC(=O)[C@H](CCC)[NH+](C)C)cc1 ZINC000161452233 311366198 /nfs/dbraw/zinc/36/61/98/311366198.db2.gz UTPNILHWSXTOGX-HNNXBMFYSA-N 1 0 341.477 2.044 10 70 EEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1Br ZINC000159650891 463297761 /nfs/dbraw/zinc/29/77/61/463297761.db2.gz IVRHPOIXSBXXDE-VHSXEESVSA-N 1 0 327.222 2.241 10 70 EEIERO CC(C)[C@@H](C(=O)N1CCC(C(=O)NCc2ccccc2)CC1)[NH+](C)C ZINC000159708061 463299523 /nfs/dbraw/zinc/29/95/23/463299523.db2.gz LZCNTFVTVOVHOG-SFHVURJKSA-N 1 0 345.487 2.128 10 70 EEIERO C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159856957 463307498 /nfs/dbraw/zinc/30/74/98/463307498.db2.gz KYVPELRAPKGBKR-NJAFHUGGSA-N 1 0 331.460 2.470 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000160234865 463323164 /nfs/dbraw/zinc/32/31/64/463323164.db2.gz ZLOUIIOZXPYUMP-HFSMHLIXSA-N 1 0 342.483 2.244 10 70 EEIERO CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000160351489 463330387 /nfs/dbraw/zinc/33/03/87/463330387.db2.gz IOEGVTSSJFPYMD-UHFFFAOYSA-N 1 0 338.839 2.258 10 70 EEIERO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160558435 463349505 /nfs/dbraw/zinc/34/95/05/463349505.db2.gz OFYIHTQCVUWQPK-FOIQADDNSA-N 1 0 342.439 2.300 10 70 EEIERO CCC(CC)CNC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000160561958 463350082 /nfs/dbraw/zinc/35/00/82/463350082.db2.gz NVEDCUKPNGAKTP-UHFFFAOYSA-N 1 0 335.496 2.425 10 70 EEIERO Cc1c(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cnn1CC(C)C ZINC000160925028 463382634 /nfs/dbraw/zinc/38/26/34/463382634.db2.gz LUVLKCRREXXLHH-HNNXBMFYSA-N 1 0 348.491 2.173 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000161324098 463420345 /nfs/dbraw/zinc/42/03/45/463420345.db2.gz HROZESKNMOTODV-HNNXBMFYSA-N 1 0 327.432 2.425 10 70 EEIERO [NH3+][C@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)C1 ZINC000161340228 463421833 /nfs/dbraw/zinc/42/18/33/463421833.db2.gz JZGXDSKGHOXMLQ-NEPJUHHUSA-N 1 0 328.372 2.261 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1 ZINC000160602867 463353528 /nfs/dbraw/zinc/35/35/28/463353528.db2.gz PJVRSKAQSDCVGB-AWEZNQCLSA-N 1 0 330.350 2.282 10 70 EEIERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)NC(=O)Nc1ccccc1 ZINC000160624856 463355947 /nfs/dbraw/zinc/35/59/47/463355947.db2.gz CFWNOUOFONNQRF-UHFFFAOYSA-N 1 0 341.415 2.328 10 70 EEIERO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C ZINC000160637245 463358054 /nfs/dbraw/zinc/35/80/54/463358054.db2.gz NDYXPDRKHVXZHL-CZUORRHYSA-N 1 0 342.447 2.429 10 70 EEIERO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160654069 463358587 /nfs/dbraw/zinc/35/85/87/463358587.db2.gz ITCJAWGZCULKFB-OAHLLOKOSA-N 1 0 329.444 2.361 10 70 EEIERO CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160807684 463372843 /nfs/dbraw/zinc/37/28/43/463372843.db2.gz SARNQSMBHFLTQF-HOTGVXAUSA-N 1 0 344.459 2.454 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000161271144 463414899 /nfs/dbraw/zinc/41/48/99/463414899.db2.gz OHSSQGMTNSEESU-OAHLLOKOSA-N 1 0 346.475 2.332 10 70 EEIERO Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161494118 463434352 /nfs/dbraw/zinc/43/43/52/463434352.db2.gz MUIKXMBQSCAPCA-SJPCQFCGSA-N 1 0 332.492 2.440 10 70 EEIERO CC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000160296013 527335239 /nfs/dbraw/zinc/33/52/39/527335239.db2.gz BBSXWNVDMNTLKB-MRXNPFEDSA-N 1 0 338.473 2.288 10 70 EEIERO CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)[C@H](C)C1 ZINC000160588301 311355889 /nfs/dbraw/zinc/35/58/89/311355889.db2.gz GTYSTMLIKDRLNZ-YLJYHZDGSA-N 1 0 331.504 2.339 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(C(N)=O)c(F)c2)CC1 ZINC000159992532 463314981 /nfs/dbraw/zinc/31/49/81/463314981.db2.gz BWDNSCWGXGOZEQ-UHFFFAOYSA-N 1 0 336.411 2.167 10 70 EEIERO CCc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1Cc1ccccc1 ZINC000160482713 463342988 /nfs/dbraw/zinc/34/29/88/463342988.db2.gz MKIGVMHEPIFQAD-CALCHBBNSA-N 1 0 338.455 2.460 10 70 EEIERO CCCN(CC[NH+](CC)CC)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000160545317 463349763 /nfs/dbraw/zinc/34/97/63/463349763.db2.gz WJYVONPQCLSWPI-UHFFFAOYSA-N 1 0 330.432 2.117 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000160603224 463353813 /nfs/dbraw/zinc/35/38/13/463353813.db2.gz CHJFHTFXQPKZIB-HUUCEWRRSA-N 1 0 348.495 2.095 10 70 EEIERO O=C(COc1ccc(Br)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160732268 463365522 /nfs/dbraw/zinc/36/55/22/463365522.db2.gz YFFFNTRGXUSVPQ-BETUJISGSA-N 1 0 339.233 2.181 10 70 EEIERO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161076597 463397115 /nfs/dbraw/zinc/39/71/15/463397115.db2.gz XBCYODIBTGBRBH-WBVHZDCISA-N 1 0 331.460 2.265 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1 ZINC000161196088 463409356 /nfs/dbraw/zinc/40/93/56/463409356.db2.gz GVUKPEDFLOOKJL-UHFFFAOYSA-N 1 0 328.416 2.449 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000159974046 529030515 /nfs/dbraw/zinc/03/05/15/529030515.db2.gz KBSLCVAVJRUGIC-INIZCTEOSA-N 1 0 346.475 2.011 10 70 EEIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000159992542 225315659 /nfs/dbraw/zinc/31/56/59/225315659.db2.gz PYLOGYAIVPLFHY-CQSZACIVSA-N 1 0 339.395 2.024 10 70 EEIERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1ccccc1-n1cccn1 ZINC000160841639 278362221 /nfs/dbraw/zinc/36/22/21/278362221.db2.gz JHOOSPJVIUDSMC-KGLIPLIRSA-N 1 0 336.399 2.340 10 70 EEIERO CC(C)N(C[C@@H](C)O)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160859136 279441171 /nfs/dbraw/zinc/44/11/71/279441171.db2.gz HIEUVUUSIIBCHE-OAHLLOKOSA-N 1 0 343.537 2.149 10 70 EEIERO COC(=O)c1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161133229 311362757 /nfs/dbraw/zinc/36/27/57/311362757.db2.gz LRTHLUSAKXXHLD-PWSUYJOCSA-N 1 0 325.434 2.481 10 70 EEIERO Cc1ccc(OCCCC(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c(C)c1 ZINC000161200017 311363142 /nfs/dbraw/zinc/36/31/42/311363142.db2.gz MYTWAQDGHXRQEC-ZWKOTPCHSA-N 1 0 348.487 2.376 10 70 EEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1Br ZINC000159650767 463297461 /nfs/dbraw/zinc/29/74/61/463297461.db2.gz IVRHPOIXSBXXDE-NXEZZACHSA-N 1 0 327.222 2.241 10 70 EEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1Br ZINC000159650498 463297486 /nfs/dbraw/zinc/29/74/86/463297486.db2.gz IVRHPOIXSBXXDE-ZJUUUORDSA-N 1 0 327.222 2.241 10 70 EEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160532606 463347565 /nfs/dbraw/zinc/34/75/65/463347565.db2.gz OOAPXPMOTUGFHO-DZGCQCFKSA-N 1 0 328.416 2.255 10 70 EEIERO Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000161178479 463407888 /nfs/dbraw/zinc/40/78/88/463407888.db2.gz HORCNJSUGMAEKD-QUCCMNQESA-N 1 0 330.472 2.281 10 70 EEIERO CN(C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161506195 463435845 /nfs/dbraw/zinc/43/58/45/463435845.db2.gz HSDMHTJQAKHNTO-JZWPEALZSA-N 1 0 335.492 2.013 10 70 EEIERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161109314 539524576 /nfs/dbraw/zinc/52/45/76/539524576.db2.gz CYIKKLGMIXGARY-GJZGRUSLSA-N 1 0 335.473 2.315 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160578077 255799658 /nfs/dbraw/zinc/79/96/58/255799658.db2.gz AOAHLYFWEQZQEO-NSHDSACASA-N 1 0 333.358 2.441 10 70 EEIERO O=C(NC1CC[NH+](C2CC2)CC1)N1CCO[C@H](c2ccsc2)C1 ZINC000159733079 225268124 /nfs/dbraw/zinc/26/81/24/225268124.db2.gz WNDCPRSWYCKALY-INIZCTEOSA-N 1 0 335.473 2.458 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000160369585 225398351 /nfs/dbraw/zinc/39/83/51/225398351.db2.gz WHCBNCBZOGNOJA-INIZCTEOSA-N 1 0 345.418 2.397 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(C(F)(F)F)c1 ZINC000160114086 225340676 /nfs/dbraw/zinc/34/06/76/225340676.db2.gz RYQUDSKTXLSFGF-LBPRGKRZSA-N 1 0 348.340 2.421 10 70 EEIERO C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160124959 225343453 /nfs/dbraw/zinc/34/34/53/225343453.db2.gz YTFYDEPKVIAFPX-ZFWWWQNUSA-N 1 0 340.851 2.070 10 70 EEIERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000161251781 279618352 /nfs/dbraw/zinc/61/83/52/279618352.db2.gz TZFFRHRWWLCCJM-RHSMWYFYSA-N 1 0 332.448 2.037 10 70 EEIERO Cc1cc(C)cc(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160396283 463334472 /nfs/dbraw/zinc/33/44/72/463334472.db2.gz XDCUTUMYCYBLAU-KRWDZBQOSA-N 1 0 334.460 2.035 10 70 EEIERO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc2c(c1)OCCO2 ZINC000160475265 463341223 /nfs/dbraw/zinc/34/12/23/463341223.db2.gz VPCZFVZTPAOOAX-GASCZTMLSA-N 1 0 330.428 2.088 10 70 EEIERO COc1ccc([C@H](CNC(=O)N[C@@H]2CCO[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000160605665 463355042 /nfs/dbraw/zinc/35/50/42/463355042.db2.gz XHKOMIAXRGVYTQ-OLMNPRSZSA-N 1 0 347.459 2.309 10 70 EEIERO Cc1c2cc(C)ccc2[nH]c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160653941 463359246 /nfs/dbraw/zinc/35/92/46/463359246.db2.gz ITCJAWGZCULKFB-HNNXBMFYSA-N 1 0 329.444 2.361 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(F)c1 ZINC000160265524 527978348 /nfs/dbraw/zinc/97/83/48/527978348.db2.gz AFDGNXLRSYDVOJ-MRXNPFEDSA-N 1 0 328.453 2.366 10 70 EEIERO Cn1cc(N2CCC[C@@H]([N@H+](C)CCc3ccc(F)cc3)C2=O)cn1 ZINC000159563298 529933267 /nfs/dbraw/zinc/93/32/67/529933267.db2.gz CQPOBZGHJGINBG-QGZVFWFLSA-N 1 0 330.407 2.229 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000160231829 225366878 /nfs/dbraw/zinc/36/68/78/225366878.db2.gz AVCFEEPTTQDADI-IHRRRGAJSA-N 1 0 338.398 2.031 10 70 EEIERO CCC[NH+]1CCC(N(C)C(=O)CCc2cccc(C(=O)NC)c2)CC1 ZINC000160444282 311354259 /nfs/dbraw/zinc/35/42/59/311354259.db2.gz MPIXIUIAJGLRRR-UHFFFAOYSA-N 1 0 345.487 2.312 10 70 EEIERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)cc1 ZINC000159435495 463285412 /nfs/dbraw/zinc/28/54/12/463285412.db2.gz IMLHTVBGCUGZDH-WMLDXEAASA-N 1 0 342.505 2.433 10 70 EEIERO O=C(Cc1cccc2ccccc21)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160602603 463354037 /nfs/dbraw/zinc/35/40/37/463354037.db2.gz UJZZUXFZUGRGOA-SFHVURJKSA-N 1 0 326.440 2.345 10 70 EEIERO CC[N@@H+]1CC[C@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000161326595 463420253 /nfs/dbraw/zinc/42/02/53/463420253.db2.gz ZGQGWICBZDXFEY-LLVKDONJSA-N 1 0 331.338 2.094 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159962387 237227862 /nfs/dbraw/zinc/22/78/62/237227862.db2.gz NUSCCVJLNVPCIY-SQWLQELKSA-N 1 0 338.398 2.031 10 70 EEIERO CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[C@H](C)C1 ZINC000161144133 285389448 /nfs/dbraw/zinc/38/94/48/285389448.db2.gz KKSOOMJPODPBHC-HMDCTGQHSA-N 1 0 335.492 2.316 10 70 EEIERO Cc1[nH]c2c(cccc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000160190877 533615796 /nfs/dbraw/zinc/61/57/96/533615796.db2.gz MTWKRIKALWVLQD-HNNXBMFYSA-N 1 0 329.444 2.361 10 70 EEIERO CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159399648 276943294 /nfs/dbraw/zinc/94/32/94/276943294.db2.gz VGBSQPKNGSFLLE-LLVKDONJSA-N 1 0 344.381 2.088 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000160556938 311355598 /nfs/dbraw/zinc/35/55/98/311355598.db2.gz FBVOJOKGIGUJRY-NVXWUHKLSA-N 1 0 346.475 2.433 10 70 EEIERO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000160558019 311355689 /nfs/dbraw/zinc/35/56/89/311355689.db2.gz DSEQAGRUFIDHEM-AEFFLSMTSA-N 1 0 339.524 2.410 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000160578283 311356226 /nfs/dbraw/zinc/35/62/26/311356226.db2.gz LPKMIVMNVABAMK-CQSZACIVSA-N 1 0 347.488 2.394 10 70 EEIERO Cc1cc(F)cc2c(O)c(C(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cnc12 ZINC000159474814 463288974 /nfs/dbraw/zinc/28/89/74/463288974.db2.gz WDJALTZUZFNTJE-LRDDRELGSA-N 1 0 345.418 2.434 10 70 EEIERO COCC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160433118 463338705 /nfs/dbraw/zinc/33/87/05/463338705.db2.gz YAELMHJHWCVDDO-UKRRQHHQSA-N 1 0 326.387 2.153 10 70 EEIERO O=C(c1nn(-c2ccccc2)c2c1CCC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160512567 463345775 /nfs/dbraw/zinc/34/57/75/463345775.db2.gz FFRXXXYXWCMSOJ-GASCZTMLSA-N 1 0 336.439 2.328 10 70 EEIERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160825629 463374114 /nfs/dbraw/zinc/37/41/14/463374114.db2.gz NGMDFFDCDRYVSP-UONOGXRCSA-N 1 0 343.431 2.146 10 70 EEIERO Cc1c([C@@H](C)[NH2+]CCCN2CCCC2=O)nnn1-c1ccc(F)cc1 ZINC000159533709 533943376 /nfs/dbraw/zinc/94/33/76/533943376.db2.gz ZWXIZHIKBUCVHF-CYBMUJFWSA-N 1 0 345.422 2.378 10 70 EEIERO CC(C)Cc1ccc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160260162 528645347 /nfs/dbraw/zinc/64/53/47/528645347.db2.gz VWJQDBPVLCRHFQ-IBGZPJMESA-N 1 0 332.488 2.391 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Br)cs1 ZINC000160238487 237236625 /nfs/dbraw/zinc/23/66/25/237236625.db2.gz ZACXXRXXNPGPPI-NSHDSACASA-N 1 0 347.278 2.087 10 70 EEIERO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)C(C)C ZINC000160558142 311355489 /nfs/dbraw/zinc/35/54/89/311355489.db2.gz DSEQAGRUFIDHEM-SJLPKXTDSA-N 1 0 339.524 2.410 10 70 EEIERO O=C(c1csc(-c2ncccn2)n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159742644 463302257 /nfs/dbraw/zinc/30/22/57/463302257.db2.gz BSGAOVWTVJNXHL-UHFFFAOYSA-N 1 0 343.456 2.204 10 70 EEIERO CC[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000160434442 463338393 /nfs/dbraw/zinc/33/83/93/463338393.db2.gz IOHZNPWXDNDIDG-GOSISDBHSA-N 1 0 334.416 2.227 10 70 EEIERO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160527344 463346778 /nfs/dbraw/zinc/34/67/78/463346778.db2.gz GWMXTOGRINGFSW-XLIONFOSSA-N 1 0 346.471 2.281 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000160563355 463350656 /nfs/dbraw/zinc/35/06/56/463350656.db2.gz KVBCLDYJTHNRIS-ZNMIVQPWSA-N 1 0 338.398 2.031 10 70 EEIERO C[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ncccn1 ZINC000160841519 463376069 /nfs/dbraw/zinc/37/60/69/463376069.db2.gz JHOOSPJVIUDSMC-KBPBESRZSA-N 1 0 336.399 2.340 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000160532110 539522503 /nfs/dbraw/zinc/52/25/03/539522503.db2.gz HADBTPSNRMJBMN-VMBOVVBDSA-N 1 0 349.479 2.304 10 70 EEIERO COc1cccc([C@@H](CNC(=O)[C@@H](C)C2CCOCC2)[NH+](C)C)c1 ZINC000160373182 311353661 /nfs/dbraw/zinc/35/36/61/311353661.db2.gz VRDPNVVHLMTTPA-KBXCAEBGSA-N 1 0 334.460 2.477 10 70 EEIERO C[C@H]1CCC[N@H+](CCNC(=O)CCc2cc3ccccc3[nH]c2=O)C1 ZINC000160499031 311354795 /nfs/dbraw/zinc/35/47/95/311354795.db2.gz SAAZEOCKOWFHSH-HNNXBMFYSA-N 1 0 341.455 2.309 10 70 EEIERO [NH3+]C1(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CCCCC1 ZINC000159534776 463290910 /nfs/dbraw/zinc/29/09/10/463290910.db2.gz OQUULDZDVTUYMJ-HNNXBMFYSA-N 1 0 349.500 2.059 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160678385 463361426 /nfs/dbraw/zinc/36/14/26/463361426.db2.gz CUZGDAZVVXJQDH-LSDHHAIUSA-N 1 0 338.398 2.297 10 70 EEIERO CC[C@](C)(O)C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000160713012 463364700 /nfs/dbraw/zinc/36/47/00/463364700.db2.gz FHTFHMBOOFHVOJ-KRWDZBQOSA-N 1 0 336.867 2.266 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CCc3ccccc3C2)C1 ZINC000161234268 463412464 /nfs/dbraw/zinc/41/24/64/463412464.db2.gz ZRPANIJXFFVSMD-MDZRGWNJSA-N 1 0 329.488 2.278 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)C1 ZINC000161373793 463426294 /nfs/dbraw/zinc/42/62/94/463426294.db2.gz BEFDLXHRQSFTET-BZNIZROVSA-N 1 0 331.391 2.126 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000161405194 463428873 /nfs/dbraw/zinc/42/88/73/463428873.db2.gz CADNZLMZZTXPJF-DYVFJYSZSA-N 1 0 344.459 2.024 10 70 EEIERO Cc1cnccc1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000159827660 534699908 /nfs/dbraw/zinc/69/99/08/534699908.db2.gz JLWFYQOASLSRKR-LJQANCHMSA-N 1 0 340.471 2.405 10 70 EEIERO CC[N@H+](CCCCS(C)(=O)=O)Cc1ccc(OC)c(OC)c1 ZINC000161321859 539527239 /nfs/dbraw/zinc/52/72/39/539527239.db2.gz MYAIBFCGGRZVPK-UHFFFAOYSA-N 1 0 329.462 2.351 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000160194285 225358333 /nfs/dbraw/zinc/35/83/33/225358333.db2.gz JJOOCSMFRDXJMN-OTWHNJEPSA-N 1 0 346.471 2.117 10 70 EEIERO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 ZINC000159987857 277307623 /nfs/dbraw/zinc/30/76/23/277307623.db2.gz XQLLEGKGIQMONF-LLVKDONJSA-N 1 0 344.381 2.170 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC(F)F ZINC000159601254 463295534 /nfs/dbraw/zinc/29/55/34/463295534.db2.gz WVCSDBZBCBJYFR-CMPLNLGQSA-N 1 0 328.359 2.382 10 70 EEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674180 463298883 /nfs/dbraw/zinc/29/88/83/463298883.db2.gz PLURGLGDAHKIIG-ZFWWWQNUSA-N 1 0 326.400 2.355 10 70 EEIERO COC(=O)c1ccc2[nH]cc(C(=O)CN3CCC([NH+](C)C)CC3)c2c1 ZINC000160555560 463349522 /nfs/dbraw/zinc/34/95/22/463349522.db2.gz ZBVVFMLGTHMNQH-UHFFFAOYSA-N 1 0 343.427 2.163 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000160565042 463350372 /nfs/dbraw/zinc/35/03/72/463350372.db2.gz RAZFMXGRRGQKBN-ZBFHGGJFSA-N 1 0 347.434 2.488 10 70 EEIERO Cc1ccc(-c2ocnc2C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160608831 463354792 /nfs/dbraw/zinc/35/47/92/463354792.db2.gz FYGATACDMUXETP-INIZCTEOSA-N 1 0 343.427 2.227 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCN(c2ccc(F)cc2OC)CC1 ZINC000161297169 528650548 /nfs/dbraw/zinc/65/05/48/528650548.db2.gz DEPXOJJKFHSPRG-UHFFFAOYSA-N 1 0 337.439 2.248 10 70 EEIERO CCCN(C[C@@H]1CCCCO1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161490521 539527986 /nfs/dbraw/zinc/52/79/86/539527986.db2.gz AONWLNLCOBVFNZ-INIZCTEOSA-N 1 0 337.468 2.258 10 70 EEIERO O=C(CSc1ccccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160314425 225386954 /nfs/dbraw/zinc/38/69/54/225386954.db2.gz GHZRUROKRYYLKF-ZDUSSCGKSA-N 1 0 342.892 2.395 10 70 EEIERO Cc1cc(NC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1C(N)=O ZINC000160079662 225333187 /nfs/dbraw/zinc/33/31/87/225333187.db2.gz HUWFMKIYYDFDLW-UHFFFAOYSA-N 1 0 332.448 2.336 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000160231945 225367056 /nfs/dbraw/zinc/36/70/56/225367056.db2.gz AVCFEEPTTQDADI-BFHYXJOUSA-N 1 0 338.398 2.031 10 70 EEIERO CCC[C@H]1CN(C(=O)NCc2cccc(C)n2)CC[N@@H+]1CCOC ZINC000160679497 311357530 /nfs/dbraw/zinc/35/75/30/311357530.db2.gz QJUJEHPOOXJHSW-KRWDZBQOSA-N 1 0 334.464 2.032 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000160033387 463315367 /nfs/dbraw/zinc/31/53/67/463315367.db2.gz SPQFPRRMHLEPLT-MRXNPFEDSA-N 1 0 339.480 2.378 10 70 EEIERO CCc1cnc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 ZINC000160161575 463320837 /nfs/dbraw/zinc/32/08/37/463320837.db2.gz JRDNOGJTUQWCRO-UHFFFAOYSA-N 1 0 348.476 2.179 10 70 EEIERO C[C@@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCc2ccccc21 ZINC000160419639 463336692 /nfs/dbraw/zinc/33/66/92/463336692.db2.gz WIMDZSFTIJMPIW-YLJYHZDGSA-N 1 0 330.472 2.244 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)C1 ZINC000160660294 463359860 /nfs/dbraw/zinc/35/98/60/463359860.db2.gz RONWMZURAPUFDB-CJNGLKHVSA-N 1 0 342.447 2.332 10 70 EEIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCC1(c2ccccc2)CC1 ZINC000161155302 463405914 /nfs/dbraw/zinc/40/59/14/463405914.db2.gz YMPKQNRFMZWHTO-NQIIRXRSSA-N 1 0 342.483 2.461 10 70 EEIERO C[N@@H+]1CCC[C@H]1CNC(=O)CCSc1ccc2c(c1)OCCO2 ZINC000160132297 530063174 /nfs/dbraw/zinc/06/31/74/530063174.db2.gz RKWMAGVXGGTCQD-ZDUSSCGKSA-N 1 0 336.457 2.150 10 70 EEIERO C[C@@H](CCO)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000159616360 533633591 /nfs/dbraw/zinc/63/35/91/533633591.db2.gz QEQABHIYQBAGDB-MIGBEJBISA-N 1 0 331.460 2.252 10 70 EEIERO COc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1NC(C)=O ZINC000159551344 225237749 /nfs/dbraw/zinc/23/77/49/225237749.db2.gz FKNLJABNLGTPRE-ZDUSSCGKSA-N 1 0 333.432 2.317 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159466767 276163149 /nfs/dbraw/zinc/16/31/49/276163149.db2.gz AMOCYQRZBLGTPB-LLVKDONJSA-N 1 0 344.381 2.088 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1cccs1 ZINC000160599768 311356433 /nfs/dbraw/zinc/35/64/33/311356433.db2.gz YOVQNTPNAXHCCS-UONOGXRCSA-N 1 0 337.489 2.103 10 70 EEIERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000159391206 463284994 /nfs/dbraw/zinc/28/49/94/463284994.db2.gz WJZANPJUIXXRKA-WMLDXEAASA-N 1 0 342.505 2.433 10 70 EEIERO Cc1ccc(N2CC[C@@H]([NH+]3CCC(n4cncn4)CC3)C2=O)cc1 ZINC000159910670 463309977 /nfs/dbraw/zinc/30/99/77/463309977.db2.gz BAZQOKYWXBBXNZ-QGZVFWFLSA-N 1 0 325.416 2.029 10 70 EEIERO CN(Cc1cnc2ccccn12)C1CC[NH+](CCn2cccn2)CC1 ZINC000159994512 463314186 /nfs/dbraw/zinc/31/41/86/463314186.db2.gz GWLHSJGOIXXQBF-UHFFFAOYSA-N 1 0 338.459 2.127 10 70 EEIERO CN(CC[NH+]1CCC(N2CCCNC2=O)CC1)Cc1ccc(F)cc1 ZINC000160936068 463383473 /nfs/dbraw/zinc/38/34/73/463383473.db2.gz RUOCZKYATAJNGT-UHFFFAOYSA-N 1 0 348.466 2.137 10 70 EEIERO CCC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2)CC1)[NH+](C)C ZINC000161354392 463424168 /nfs/dbraw/zinc/42/41/68/463424168.db2.gz ZNTINNUHKOLEOJ-QGZVFWFLSA-N 1 0 331.460 2.138 10 70 EEIERO Cc1ccc2[nH]c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000160035700 534351133 /nfs/dbraw/zinc/35/11/33/534351133.db2.gz IEDFMMAWQLWUCA-HNNXBMFYSA-N 1 0 329.444 2.361 10 70 EEIERO CCN(Cc1cnn(C)c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000161074607 311361805 /nfs/dbraw/zinc/36/18/05/311361805.db2.gz QGAPMQVYLCSFGO-UHFFFAOYSA-N 1 0 343.456 2.229 10 70 EEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(O)ccc1Br ZINC000159650627 463297804 /nfs/dbraw/zinc/29/78/04/463297804.db2.gz IVRHPOIXSBXXDE-UWVGGRQHSA-N 1 0 327.222 2.241 10 70 EEIERO O=C(CC[NH+]1CCC(c2cc[nH]n2)CC1)Nc1ccc2c(c1)OCO2 ZINC000160652961 463358694 /nfs/dbraw/zinc/35/86/94/463358694.db2.gz GQRMLFSANZZIHE-UHFFFAOYSA-N 1 0 342.399 2.347 10 70 EEIERO CN(C(=O)c1csnn1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160935684 463384194 /nfs/dbraw/zinc/38/41/94/463384194.db2.gz WPKBWOPGMRQIPD-UHFFFAOYSA-N 1 0 332.429 2.289 10 70 EEIERO C[C@@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C[NH+]1CCCC1 ZINC000161071324 463397435 /nfs/dbraw/zinc/39/74/35/463397435.db2.gz YGSCVMZIZONMHQ-AWEZNQCLSA-N 1 0 347.434 2.414 10 70 EEIERO CC[NH+](CC)CC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000161171488 463406348 /nfs/dbraw/zinc/40/63/48/463406348.db2.gz XBQSETTVOHBQIV-UHFFFAOYSA-N 1 0 326.387 2.429 10 70 EEIERO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161488025 463432906 /nfs/dbraw/zinc/43/29/06/463432906.db2.gz TTWVVQJQPXDQPK-PBHICJAKSA-N 1 0 348.468 2.485 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000159573884 529029657 /nfs/dbraw/zinc/02/96/57/529029657.db2.gz WNQMVQLLTLZTGA-UHFFFAOYSA-N 1 0 327.432 2.110 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000160231687 225367112 /nfs/dbraw/zinc/36/71/12/225367112.db2.gz AVCFEEPTTQDADI-MJBXVCDLSA-N 1 0 338.398 2.031 10 70 EEIERO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CN(C)C ZINC000159752624 463303115 /nfs/dbraw/zinc/30/31/15/463303115.db2.gz CKULYZQKTKKVAC-KRWDZBQOSA-N 1 0 341.459 2.139 10 70 EEIERO CCc1ccc(C(C)(C)C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160483371 463343078 /nfs/dbraw/zinc/34/30/78/463343078.db2.gz PDRJSJPRTDKWNO-SFHVURJKSA-N 1 0 332.488 2.490 10 70 EEIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(NS(C)(=O)=O)cc1 ZINC000160540362 463348539 /nfs/dbraw/zinc/34/85/39/463348539.db2.gz ZHGCVOCXBSMWIF-NOLJZWGESA-N 1 0 326.462 2.260 10 70 EEIERO Cn1cnc2cc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cnc21 ZINC000160691324 463362174 /nfs/dbraw/zinc/36/21/74/463362174.db2.gz IEKMNPOGCDPRFP-UHFFFAOYSA-N 1 0 341.459 2.495 10 70 EEIERO Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160785969 463370571 /nfs/dbraw/zinc/37/05/71/463370571.db2.gz OZWMXUJOMFCVIH-XLIONFOSSA-N 1 0 346.471 2.117 10 70 EEIERO C[NH+]1CCC(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)CC1 ZINC000161197593 463409658 /nfs/dbraw/zinc/40/96/58/463409658.db2.gz LBJCNJZRWBWFNB-UHFFFAOYSA-N 1 0 338.398 2.429 10 70 EEIERO C[N@@H+](CCc1ccc(F)cc1)CCN1C(=O)NC2(CCCC2)C1=O ZINC000159562196 529933369 /nfs/dbraw/zinc/93/33/69/529933369.db2.gz SWXZEIWZJBHHTK-UHFFFAOYSA-N 1 0 333.407 2.165 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)s1 ZINC000159928036 225305302 /nfs/dbraw/zinc/30/53/02/225305302.db2.gz LDHTXNYEXZVXQF-JTQLQIEISA-N 1 0 347.278 2.087 10 70 EEIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc2[nH]c(=O)oc21 ZINC000159992634 225314771 /nfs/dbraw/zinc/31/47/71/225314771.db2.gz PYLOGYAIVPLFHY-AWEZNQCLSA-N 1 0 339.395 2.024 10 70 EEIERO O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160172244 225353964 /nfs/dbraw/zinc/35/39/64/225353964.db2.gz QXVTWXMOXMTTTO-HNNXBMFYSA-N 1 0 344.377 2.211 10 70 EEIERO CCOc1ccccc1N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000159389507 311340801 /nfs/dbraw/zinc/34/08/01/311340801.db2.gz JBRIKZXLQZJWLL-UHFFFAOYSA-N 1 0 331.460 2.265 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccnn2C[C@@H]2CCOC2)CC1 ZINC000159578998 311343358 /nfs/dbraw/zinc/34/33/58/311343358.db2.gz UVPBRAXDRRVDDH-PCKAHOCUSA-N 1 0 349.479 2.162 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(Cc2cccs2)nn1 ZINC000160515004 463345240 /nfs/dbraw/zinc/34/52/40/463345240.db2.gz ASWPOVVOMLPOBL-CQSZACIVSA-N 1 0 347.488 2.238 10 70 EEIERO COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160556935 463349668 /nfs/dbraw/zinc/34/96/68/463349668.db2.gz CCMPZLOEIRNWFX-XLIONFOSSA-N 1 0 346.471 2.281 10 70 EEIERO CC(C)c1nn(C)c(Cl)c1C(=O)NCCCC[NH+]1CCOCC1 ZINC000160678677 463361510 /nfs/dbraw/zinc/36/15/10/463361510.db2.gz MMJKZNPKEZVACY-UHFFFAOYSA-N 1 0 342.871 2.039 10 70 EEIERO COCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160802150 463372511 /nfs/dbraw/zinc/37/25/11/463372511.db2.gz OBPULSYJCNPKDM-GJZGRUSLSA-N 1 0 330.432 2.064 10 70 EEIERO CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160825747 463373935 /nfs/dbraw/zinc/37/39/35/463373935.db2.gz NGMDFFDCDRYVSP-KBPBESRZSA-N 1 0 343.431 2.146 10 70 EEIERO Cc1ccc(O)c(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c1 ZINC000159584069 539516744 /nfs/dbraw/zinc/51/67/44/539516744.db2.gz LMDPNRJLVHKFJV-MRXNPFEDSA-N 1 0 332.444 2.418 10 70 EEIERO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@H](c2cccs2)C1 ZINC000161109080 539524830 /nfs/dbraw/zinc/52/48/30/539524830.db2.gz CYIKKLGMIXGARY-CABCVRRESA-N 1 0 335.473 2.315 10 70 EEIERO COc1cccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160293589 533533841 /nfs/dbraw/zinc/53/38/41/533533841.db2.gz OOYUQMJPTKEEKI-MRXNPFEDSA-N 1 0 340.489 2.235 10 70 EEIERO Cc1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)cc1C(N)=O ZINC000159923469 143805018 /nfs/dbraw/zinc/80/50/18/143805018.db2.gz OHXQHBYOPJFYLH-UHFFFAOYSA-N 1 0 332.448 2.336 10 70 EEIERO COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000159984576 295250478 /nfs/dbraw/zinc/25/04/78/295250478.db2.gz UBDPJTZSCGZOEN-ZBFHGGJFSA-N 1 0 332.444 2.168 10 70 EEIERO CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3cc(C)[nH]n3)cc2)CC1 ZINC000159503439 311342161 /nfs/dbraw/zinc/34/21/61/311342161.db2.gz IGEZBOWZXCJQJX-UHFFFAOYSA-N 1 0 343.431 2.086 10 70 EEIERO C[C@H](CCc1ccccc1F)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160413574 463335576 /nfs/dbraw/zinc/33/55/76/463335576.db2.gz QUNCMMQNXMSYPU-WBVHZDCISA-N 1 0 336.451 2.357 10 70 EEIERO C[NH+](C)Cc1cccc(NC(=O)NCCc2nnc3n2CCCC3)c1 ZINC000161086648 463398793 /nfs/dbraw/zinc/39/87/93/463398793.db2.gz PYYSWZSHUJXOPD-UHFFFAOYSA-N 1 0 342.447 2.040 10 70 EEIERO CCC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[NH+](C)C ZINC000161129615 463402059 /nfs/dbraw/zinc/40/20/59/463402059.db2.gz JRMQSDTYHIVMBW-HNNXBMFYSA-N 1 0 330.432 2.153 10 70 EEIERO CCc1noc([C@H](C)N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161347018 463423218 /nfs/dbraw/zinc/42/32/18/463423218.db2.gz IEWCSJCKWIVFSJ-INIZCTEOSA-N 1 0 335.496 2.187 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000159604756 143800799 /nfs/dbraw/zinc/80/07/99/143800799.db2.gz SVAMBFWLEZHDGK-UHFFFAOYSA-N 1 0 344.502 2.002 10 70 EEIERO NC(=O)CC1CC[NH+](C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159753726 225272610 /nfs/dbraw/zinc/27/26/10/225272610.db2.gz TVWURTALPQNPEK-OAHLLOKOSA-N 1 0 335.835 2.420 10 70 EEIERO COCCCn1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000160420731 273985635 /nfs/dbraw/zinc/98/56/35/273985635.db2.gz VBCALJIGFJOOOC-UHFFFAOYSA-N 1 0 337.468 2.162 10 70 EEIERO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1nccs1 ZINC000159863272 311347442 /nfs/dbraw/zinc/34/74/42/311347442.db2.gz MBLFCFALGCTNEH-VXGBXAGGSA-N 1 0 342.428 2.402 10 70 EEIERO CCC[NH+]1CCC(CNC(=O)N2CCCN(CC(F)F)CC2)CC1 ZINC000161413892 311365699 /nfs/dbraw/zinc/36/56/99/311365699.db2.gz ZWRZMZIRRATKRG-UHFFFAOYSA-N 1 0 346.466 2.091 10 70 EEIERO CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3CCOCC3)cn2)CC1 ZINC000159541068 463291604 /nfs/dbraw/zinc/29/16/04/463291604.db2.gz HDWIRTVSQRQCTM-INIZCTEOSA-N 1 0 332.492 2.128 10 70 EEIERO CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000160530242 463346412 /nfs/dbraw/zinc/34/64/12/463346412.db2.gz DTPXIEKQRYYGSD-INIZCTEOSA-N 1 0 339.524 2.114 10 70 EEIERO CN(CC(C)(C)C)C(=O)C[C@@]1(C(=O)N(C)CC(C)(C)C)CC[NH2+]C1 ZINC000161188861 463409042 /nfs/dbraw/zinc/40/90/42/463409042.db2.gz KHSMLEOORIQZDY-IBGZPJMESA-N 1 0 339.524 2.365 10 70 EEIERO O=C(Cc1ccc2ccccc2c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160170039 206282134 /nfs/dbraw/zinc/28/21/34/206282134.db2.gz VOVIZEHIPKJUPD-IBGZPJMESA-N 1 0 326.440 2.345 10 70 EEIERO O=C(CCCc1c[nH]c2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160225404 206284999 /nfs/dbraw/zinc/28/49/99/206284999.db2.gz FWIHPBLHBSPHND-KRWDZBQOSA-N 1 0 343.471 2.454 10 70 EEIERO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000160696912 206308725 /nfs/dbraw/zinc/30/87/25/206308725.db2.gz CWVNTHIDSCRMDU-IINYFYTJSA-N 1 0 331.243 2.485 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160678246 206308869 /nfs/dbraw/zinc/30/88/69/206308869.db2.gz CUZGDAZVVXJQDH-CABCVRRESA-N 1 0 338.398 2.297 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(NC(=O)NC3CC3)c2)C1 ZINC000161210400 206335566 /nfs/dbraw/zinc/33/55/66/206335566.db2.gz FWMXCIGKISNLMY-DYVFJYSZSA-N 1 0 344.459 2.429 10 70 EEIERO CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000160495416 311354624 /nfs/dbraw/zinc/35/46/24/311354624.db2.gz QMWCAOZKGNEHFP-KBPBESRZSA-N 1 0 327.469 2.136 10 70 EEIERO CCCOC(=O)[C@H](C)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160291777 463326754 /nfs/dbraw/zinc/32/67/54/463326754.db2.gz MZBMVVWAEQPMST-OAGGEKHMSA-N 1 0 326.481 2.149 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)cnc21 ZINC000160431149 463338792 /nfs/dbraw/zinc/33/87/92/463338792.db2.gz YWROZYIOZGSXJS-HNNXBMFYSA-N 1 0 327.432 2.059 10 70 EEIERO [NH3+]CCCNC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000160163252 534611954 /nfs/dbraw/zinc/61/19/54/534611954.db2.gz HSEHVMMVDQUKPL-UHFFFAOYSA-N 1 0 339.848 2.383 10 70 EEIERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000160028753 539519430 /nfs/dbraw/zinc/51/94/30/539519430.db2.gz HCYNFVKEMUCLEN-BVBHFADKSA-N 1 0 345.487 2.357 10 70 EEIERO Cn1c2cccc(C(=O)NCC[N@H+](C)C3CCCCC3)c2oc1=O ZINC000161261623 539525973 /nfs/dbraw/zinc/52/59/73/539525973.db2.gz IKVWBHPPCCNTMI-UHFFFAOYSA-N 1 0 331.416 2.126 10 70 EEIERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cnccn1 ZINC000159920780 206270077 /nfs/dbraw/zinc/27/00/77/206270077.db2.gz BIXVNPDFLCOQBF-YJBOKZPZSA-N 1 0 339.443 2.139 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1sccc1-n1cccc1 ZINC000159994171 206274211 /nfs/dbraw/zinc/27/42/11/206274211.db2.gz AYJXZTRBGXZVLC-AWEZNQCLSA-N 1 0 333.457 2.115 10 70 EEIERO C[C@@H](SCc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160122186 206281258 /nfs/dbraw/zinc/28/12/58/206281258.db2.gz CHIDBUHPCFFVHO-WBVHZDCISA-N 1 0 336.501 2.271 10 70 EEIERO CCCCn1ncc(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)c1C ZINC000160079109 311349787 /nfs/dbraw/zinc/34/97/87/311349787.db2.gz JLVMLGYVBBPDOE-OAHLLOKOSA-N 1 0 337.468 2.224 10 70 EEIERO COC(=O)c1csc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000161133365 311362771 /nfs/dbraw/zinc/36/27/71/311362771.db2.gz LRTHLUSAKXXHLD-JQWIXIFHSA-N 1 0 325.434 2.481 10 70 EEIERO COC(=O)c1csc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000161132993 311362902 /nfs/dbraw/zinc/36/29/02/311362902.db2.gz LRTHLUSAKXXHLD-ZYHUDNBSSA-N 1 0 325.434 2.481 10 70 EEIERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[NH+](C)C ZINC000161497544 311366459 /nfs/dbraw/zinc/36/64/59/311366459.db2.gz PJDARBNECKUEHZ-HOTGVXAUSA-N 1 0 333.432 2.473 10 70 EEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674299 463299183 /nfs/dbraw/zinc/29/91/83/463299183.db2.gz PLURGLGDAHKIIG-UKRRQHHQSA-N 1 0 326.400 2.355 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160679066 463362829 /nfs/dbraw/zinc/36/28/29/463362829.db2.gz ROWYVGHYGYQYDW-GOEBONIOSA-N 1 0 338.398 2.297 10 70 EEIERO CN(CC(C)(C)C)C(=O)C[C@]1(C(=O)N(C)CC(C)(C)C)CC[NH2+]C1 ZINC000161188740 463408982 /nfs/dbraw/zinc/40/89/82/463408982.db2.gz KHSMLEOORIQZDY-LJQANCHMSA-N 1 0 339.524 2.365 10 70 EEIERO CC(C)NC(=O)c1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000160494744 206300892 /nfs/dbraw/zinc/30/08/92/206300892.db2.gz RLBRTZNJQHNOQG-HNNXBMFYSA-N 1 0 331.460 2.429 10 70 EEIERO O=C(Cc1c(Cl)cccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160527142 206301547 /nfs/dbraw/zinc/30/15/47/206301547.db2.gz PHKWCWPLNUIXOE-LBPRGKRZSA-N 1 0 345.270 2.499 10 70 EEIERO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CCOC2)CC1 ZINC000161252036 299664046 /nfs/dbraw/zinc/66/40/46/299664046.db2.gz TZFFRHRWWLCCJM-PBHICJAKSA-N 1 0 332.448 2.037 10 70 EEIERO CCOC(=O)N1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC000160560643 311355657 /nfs/dbraw/zinc/35/56/57/311355657.db2.gz OWBSYSQZUYBPGL-JKSUJKDBSA-N 1 0 339.480 2.092 10 70 EEIERO CCC[C@H](C(=O)N1CCN(c2ccccc2OCC)CC1)[NH+](C)C ZINC000161163919 311362764 /nfs/dbraw/zinc/36/27/64/311362764.db2.gz NNZBHEGFNDSXEA-QGZVFWFLSA-N 1 0 333.476 2.464 10 70 EEIERO C[NH+](C)C1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159468079 463289039 /nfs/dbraw/zinc/28/90/39/463289039.db2.gz HEDNWMYUFJBONT-SNVBAGLBSA-N 1 0 344.381 2.086 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000160234608 463324001 /nfs/dbraw/zinc/32/40/01/463324001.db2.gz ZLOUIIOZXPYUMP-FBBABVLZSA-N 1 0 342.483 2.244 10 70 EEIERO Cc1nc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c(=O)[nH]c1C ZINC000160726194 463365783 /nfs/dbraw/zinc/36/57/83/463365783.db2.gz FCMLJXOQILYYOT-UHFFFAOYSA-N 1 0 346.475 2.305 10 70 EEIERO COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160802277 463372607 /nfs/dbraw/zinc/37/26/07/463372607.db2.gz OBPULSYJCNPKDM-CABCVRRESA-N 1 0 330.432 2.064 10 70 EEIERO CCC[C@@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)[NH+](C)C ZINC000161286765 539526252 /nfs/dbraw/zinc/52/62/52/539526252.db2.gz VKDRRFITGVJIBW-HNNXBMFYSA-N 1 0 329.448 2.166 10 70 EEIERO CCCc1c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)[nH]c(C)c1C(C)=O ZINC000160276199 206287919 /nfs/dbraw/zinc/28/79/19/206287919.db2.gz UWFDJTVERHTUOO-HNNXBMFYSA-N 1 0 349.475 2.055 10 70 EEIERO O=C(CCc1c[nH]c2ccccc12)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160337054 206291102 /nfs/dbraw/zinc/29/11/02/206291102.db2.gz GIMKFADOJYSXAV-INIZCTEOSA-N 1 0 329.444 2.064 10 70 EEIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@@H](c2ccsc2)C1 ZINC000160709735 206309676 /nfs/dbraw/zinc/30/96/76/206309676.db2.gz FDFIQGSFDKCVIA-XJKSGUPXSA-N 1 0 335.473 2.315 10 70 EEIERO COc1ccccc1C[C@@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160592560 206304764 /nfs/dbraw/zinc/30/47/64/206304764.db2.gz JBPQVTWDBWFACB-AEFFLSMTSA-N 1 0 348.487 2.227 10 70 EEIERO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161322749 206341964 /nfs/dbraw/zinc/34/19/64/206341964.db2.gz FQVVAWFWRJJTAC-CYBMUJFWSA-N 1 0 330.436 2.334 10 70 EEIERO CCC(CC)CNC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000160534923 463347663 /nfs/dbraw/zinc/34/76/63/463347663.db2.gz NEQBAVRIQGZUKY-SFHVURJKSA-N 1 0 333.476 2.141 10 70 EEIERO COc1ccccc1N1CC[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)C1=O ZINC000161136570 463403037 /nfs/dbraw/zinc/40/30/37/463403037.db2.gz WOXGWNHJTNJNRG-OXFYSEKESA-N 1 0 344.455 2.428 10 70 EEIERO Cc1cc(C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000161264432 206336889 /nfs/dbraw/zinc/33/68/89/206336889.db2.gz DCZXKDNRZYULDN-KBXCAEBGSA-N 1 0 326.444 2.430 10 70 EEIERO COCCOc1cccc(CC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000160460796 311354302 /nfs/dbraw/zinc/35/43/02/311354302.db2.gz BFDMFWAFJJMOAQ-GOSISDBHSA-N 1 0 348.487 2.491 10 70 EEIERO CNC(=O)c1ccc(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000160793900 463372031 /nfs/dbraw/zinc/37/20/31/463372031.db2.gz RDRFRAQKAQHRII-LJQANCHMSA-N 1 0 339.443 2.303 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(-c2ccc(F)cc2)on1 ZINC000160129833 283987440 /nfs/dbraw/zinc/98/74/40/283987440.db2.gz IYAVLZPQIHHOIP-HNNXBMFYSA-N 1 0 347.390 2.057 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000159909967 206270024 /nfs/dbraw/zinc/27/00/24/206270024.db2.gz WPFSYNVMIZULBQ-QEJZJMRPSA-N 1 0 338.398 2.031 10 70 EEIERO C[C@@H](CNC(=O)CC/C=C/c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000160103344 206279019 /nfs/dbraw/zinc/27/90/19/206279019.db2.gz NZHFRFNNJSNBLE-OPUMOTSWSA-N 1 0 329.488 2.480 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)[C@@H](C)C1 ZINC000161405308 206346340 /nfs/dbraw/zinc/34/63/40/206346340.db2.gz CADNZLMZZTXPJF-GUYCJALGSA-N 1 0 344.459 2.024 10 70 EEIERO CC(=O)CCc1ccc(OCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159723300 463301801 /nfs/dbraw/zinc/30/18/01/463301801.db2.gz YKLKTAVRNYNIIK-HDICACEKSA-N 1 0 344.455 2.330 10 70 EEIERO CCc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)[nH]c(C)c1C(N)=O ZINC000161348789 463423975 /nfs/dbraw/zinc/42/39/75/463423975.db2.gz GDXMBTWJZOQUEN-UHFFFAOYSA-N 1 0 328.416 2.298 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)Cc1ccc(F)cc1 ZINC000160280709 527979078 /nfs/dbraw/zinc/97/90/78/527979078.db2.gz ABEPETMEJDJCJN-MRXNPFEDSA-N 1 0 328.453 2.366 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000160311852 527980623 /nfs/dbraw/zinc/98/06/23/527980623.db2.gz DAYBXRNKYXBDPV-OAHLLOKOSA-N 1 0 338.473 2.020 10 70 EEIERO CC[C@H](COC)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160225035 463323810 /nfs/dbraw/zinc/32/38/10/463323810.db2.gz ZQEFXBYJQAATKX-UXLLHSPISA-N 1 0 334.464 2.016 10 70 EEIERO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC(F)F ZINC000160278464 463325773 /nfs/dbraw/zinc/32/57/73/463325773.db2.gz DFGQOTNHCOMZBT-TXEJJXNPSA-N 1 0 326.343 2.263 10 70 EEIERO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1NC(C)=O ZINC000160336524 463329830 /nfs/dbraw/zinc/32/98/30/463329830.db2.gz NPUDSSRQVHAPFP-RISCZKNCSA-N 1 0 326.462 2.418 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000160393657 463335315 /nfs/dbraw/zinc/33/53/15/463335315.db2.gz GFGVDYHTARHOMV-BBWFWOEESA-N 1 0 336.863 2.407 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000159895048 206268082 /nfs/dbraw/zinc/26/80/82/206268082.db2.gz HXYXVFFQSJPOOL-ZDUSSCGKSA-N 1 0 332.404 2.253 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1sccc1Br ZINC000160070611 206278194 /nfs/dbraw/zinc/27/81/94/206278194.db2.gz NZDUALRRBSPGGG-JTQLQIEISA-N 1 0 347.278 2.087 10 70 EEIERO CC[C@@H]([NH2+]CC(=O)NCc1ccc(OC)cc1)c1c(C)nn(C)c1C ZINC000161017155 311361176 /nfs/dbraw/zinc/36/11/76/311361176.db2.gz GJJMRKDMAWJWQQ-QGZVFWFLSA-N 1 0 344.459 2.403 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000161354383 311365170 /nfs/dbraw/zinc/36/51/70/311365170.db2.gz NQZMBSPRNCPGFZ-ZFWWWQNUSA-N 1 0 339.480 2.088 10 70 EEIERO O=C(NC1CCN(c2ccccn2)CC1)c1cccc(-c2nc[nH]n2)c1 ZINC000160478308 463341402 /nfs/dbraw/zinc/34/14/02/463341402.db2.gz DUNVJAWVGPGVNV-UHFFFAOYSA-N 1 0 348.410 2.266 10 70 EEIERO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160601397 463353866 /nfs/dbraw/zinc/35/38/66/463353866.db2.gz USRZXUSPDHFSRU-MSOLQXFVSA-N 1 0 335.492 2.461 10 70 EEIERO C[C@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C[N@@H+]1Cc1ccccc1 ZINC000160795173 463371654 /nfs/dbraw/zinc/37/16/54/463371654.db2.gz NZKDHMVWHVSSHF-WMLDXEAASA-N 1 0 349.438 2.361 10 70 EEIERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160807532 463373106 /nfs/dbraw/zinc/37/31/06/463373106.db2.gz SARNQSMBHFLTQF-JKSUJKDBSA-N 1 0 344.459 2.454 10 70 EEIERO CC(=O)NC1CCC([NH2+]Cc2ccc(Cn3ccnc3)cc2)CC1 ZINC000161022817 463391875 /nfs/dbraw/zinc/39/18/75/463391875.db2.gz LRSYONPIYIPURC-UHFFFAOYSA-N 1 0 326.444 2.468 10 70 EEIERO COc1ccccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160311705 532956180 /nfs/dbraw/zinc/95/61/80/532956180.db2.gz DJRBKWDUFMOJKN-CQSZACIVSA-N 1 0 326.462 2.094 10 70 EEIERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000159949722 225308336 /nfs/dbraw/zinc/30/83/36/225308336.db2.gz CEDHHMLOZIBVTO-RBUKOAKNSA-N 1 0 346.471 2.117 10 70 EEIERO CCc1noc(C)c1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000160882923 311359770 /nfs/dbraw/zinc/35/97/70/311359770.db2.gz ZOLUYUDUWKRNRR-UHFFFAOYSA-N 1 0 338.452 2.109 10 70 EEIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC000159465947 463287690 /nfs/dbraw/zinc/28/76/90/463287690.db2.gz UBPXTVAMEIOACI-INIZCTEOSA-N 1 0 333.480 2.200 10 70 EEIERO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159625494 463296292 /nfs/dbraw/zinc/29/62/92/463296292.db2.gz SBUHLVYMTJSLFF-INIZCTEOSA-N 1 0 333.480 2.184 10 70 EEIERO COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000159984972 463313270 /nfs/dbraw/zinc/31/32/70/463313270.db2.gz UBDPJTZSCGZOEN-GOEBONIOSA-N 1 0 332.444 2.168 10 70 EEIERO COc1ccc(OC)c(C[NH+]2CCC(c3ccnn3CCO)CC2)c1 ZINC000160555463 463348895 /nfs/dbraw/zinc/34/88/95/463348895.db2.gz RZAGIXJVVCJKLD-UHFFFAOYSA-N 1 0 345.443 2.272 10 70 EEIERO COc1ccc(-c2n[nH]cc2C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160700584 463363769 /nfs/dbraw/zinc/36/37/69/463363769.db2.gz NNEYGBDEOWCRTQ-OKILXGFUSA-N 1 0 326.400 2.052 10 70 EEIERO CC(=O)NC1CCC([NH2+]C2CCN(c3cccc(C)n3)CC2)CC1 ZINC000161028809 463392795 /nfs/dbraw/zinc/39/27/95/463392795.db2.gz GUCUMKHHAVLJCC-UHFFFAOYSA-N 1 0 330.476 2.396 10 70 EEIERO CCCCOc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160175582 528665268 /nfs/dbraw/zinc/66/52/68/528665268.db2.gz VPNTUGFOKWIYOR-KRWDZBQOSA-N 1 0 334.460 2.442 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)no2)c1 ZINC000159709031 225265232 /nfs/dbraw/zinc/26/52/32/225265232.db2.gz HEKCLKXOFSHTFG-OAHLLOKOSA-N 1 0 345.447 2.222 10 70 EEIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000159570394 225241032 /nfs/dbraw/zinc/24/10/32/225241032.db2.gz VTMDSCWONWHCNH-FHWLQOOXSA-N 1 0 345.487 2.416 10 70 EEIERO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1nccs1 ZINC000159863153 311347358 /nfs/dbraw/zinc/34/73/58/311347358.db2.gz MBLFCFALGCTNEH-NWDGAFQWSA-N 1 0 342.428 2.402 10 70 EEIERO CN(C)c1ncccc1CNC(=O)NCc1nc(C2CC2)cs1 ZINC000160244174 311351649 /nfs/dbraw/zinc/35/16/49/311351649.db2.gz AKRIEVMLBGSRIG-UHFFFAOYSA-N 1 0 331.445 2.481 10 70 EEIERO COCCN(C)CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000159388298 463282727 /nfs/dbraw/zinc/28/27/27/463282727.db2.gz ZTZHJUDQZLJZHH-CYBMUJFWSA-N 1 0 337.855 2.150 10 70 EEIERO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159523047 463290438 /nfs/dbraw/zinc/29/04/38/463290438.db2.gz UEERDOPLTKVCKU-LLVKDONJSA-N 1 0 344.381 2.086 10 70 EEIERO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000160004048 463313629 /nfs/dbraw/zinc/31/36/29/463313629.db2.gz UWFQFGRTURVNGT-CYBMUJFWSA-N 1 0 348.472 2.187 10 70 EEIERO O=C(Cc1csc(-c2ccccn2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160194180 463322813 /nfs/dbraw/zinc/32/28/13/463322813.db2.gz AWVPTBUERAZGCK-BETUJISGSA-N 1 0 328.441 2.101 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160577941 463351521 /nfs/dbraw/zinc/35/15/21/463351521.db2.gz AOAHLYFWEQZQEO-LLVKDONJSA-N 1 0 333.358 2.441 10 70 EEIERO O=C(CCc1ccc(Cl)s1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160640311 463357942 /nfs/dbraw/zinc/35/79/42/463357942.db2.gz FNVIQRAXPPCNII-LBPRGKRZSA-N 1 0 330.881 2.297 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1c(F)cccc1F ZINC000160656627 463360054 /nfs/dbraw/zinc/36/00/54/463360054.db2.gz AKEWHNXBJKZTMY-LBPRGKRZSA-N 1 0 332.416 2.259 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000161347330 463422694 /nfs/dbraw/zinc/42/26/94/463422694.db2.gz OBQYBTJIEMHHPC-OAHLLOKOSA-N 1 0 345.491 2.411 10 70 EEIERO CC(C)(C)Oc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000159989715 526579363 /nfs/dbraw/zinc/57/93/63/526579363.db2.gz NVDMQKFBMZZTEY-INIZCTEOSA-N 1 0 334.460 2.441 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)c2cccnc12 ZINC000160304397 225384440 /nfs/dbraw/zinc/38/44/40/225384440.db2.gz LNRJQCRKZGCVSW-ZDUSSCGKSA-N 1 0 347.846 2.465 10 70 EEIERO CCc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)[nH]c(C)c1C(N)=O ZINC000159480423 276682397 /nfs/dbraw/zinc/68/23/97/276682397.db2.gz FAWHFZXYFNBRAB-GFCCVEGCSA-N 1 0 348.472 2.079 10 70 EEIERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3ccnn3)cc2)on1 ZINC000159840201 311347104 /nfs/dbraw/zinc/34/71/04/311347104.db2.gz PPQWBZYTGUVGHU-STQMWFEESA-N 1 0 340.387 2.242 10 70 EEIERO NC(=O)C[C@@H]1CCCC[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000159859358 311347561 /nfs/dbraw/zinc/34/75/61/311347561.db2.gz QIIWRDSLZLFWOV-HNNXBMFYSA-N 1 0 328.416 2.399 10 70 EEIERO C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000159857221 463307471 /nfs/dbraw/zinc/30/74/71/463307471.db2.gz KYVPELRAPKGBKR-NXHRZFHOSA-N 1 0 331.460 2.470 10 70 EEIERO C[N@H+](CCN1CCNC(=O)[C@@H]1c1ccccc1)Cc1ccc(F)cc1 ZINC000160594780 463353634 /nfs/dbraw/zinc/35/36/34/463353634.db2.gz NWASKIVUKFNPMG-IBGZPJMESA-N 1 0 341.430 2.431 10 70 EEIERO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000161076479 463397745 /nfs/dbraw/zinc/39/77/45/463397745.db2.gz XBCYODIBTGBRBH-NVXWUHKLSA-N 1 0 331.460 2.265 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000161266398 463414781 /nfs/dbraw/zinc/41/47/81/463414781.db2.gz JYVDSUMXXMNPBV-WBMJQRKESA-N 1 0 336.386 2.489 10 70 EEIERO CCC[C@H](C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161419426 463430156 /nfs/dbraw/zinc/43/01/56/463430156.db2.gz WIAZOEUBJSQNNB-LJQANCHMSA-N 1 0 347.503 2.460 10 70 EEIERO C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160125102 533944727 /nfs/dbraw/zinc/94/47/27/533944727.db2.gz YTFYDEPKVIAFPX-HIFRSBDPSA-N 1 0 340.851 2.070 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(Br)c1 ZINC000159956368 534626249 /nfs/dbraw/zinc/62/62/49/534626249.db2.gz LRLMWVPRXZWAEK-AWEZNQCLSA-N 1 0 341.249 2.026 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cnc(-c2ccccc2)s1 ZINC000160354760 534626299 /nfs/dbraw/zinc/62/62/99/534626299.db2.gz WBEFJEDCVDWBBK-HNNXBMFYSA-N 1 0 345.468 2.387 10 70 EEIERO CC[C@H](Oc1ccccc1C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160181969 529164824 /nfs/dbraw/zinc/16/48/24/529164824.db2.gz KXAYBMWIEKWRSJ-IRXDYDNUSA-N 1 0 334.460 2.115 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159962232 237228660 /nfs/dbraw/zinc/22/86/60/237228660.db2.gz NUSCCVJLNVPCIY-OFQRWUPVSA-N 1 0 338.398 2.031 10 70 EEIERO C[C@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCc2ccccc21 ZINC000160419233 273985653 /nfs/dbraw/zinc/98/56/53/273985653.db2.gz WIMDZSFTIJMPIW-PXNSSMCTSA-N 1 0 330.472 2.244 10 70 EEIERO CC(C)[N@H+](CCc1nccs1)CC(=O)NC(=O)NC(C)(C)C ZINC000159953485 311348364 /nfs/dbraw/zinc/34/83/64/311348364.db2.gz PYLJCRANLVEMBI-UHFFFAOYSA-N 1 0 326.466 2.020 10 70 EEIERO Cc1sc2nc(CSCCN3CCOCC3)nc(N)c2c1C ZINC000159973855 311348394 /nfs/dbraw/zinc/34/83/94/311348394.db2.gz HAYNBMSRZJZTNP-UHFFFAOYSA-N 1 0 338.502 2.456 10 70 EEIERO Cc1ccc(C(=O)NCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC000160603910 311356594 /nfs/dbraw/zinc/35/65/94/311356594.db2.gz PHJNADNDLJQUDV-GOSISDBHSA-N 1 0 345.487 2.270 10 70 EEIERO C/C=C/c1ccc(OCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(OC)c1 ZINC000159851875 463308104 /nfs/dbraw/zinc/30/81/04/463308104.db2.gz OZPOEUNLLQJJSP-QFQOMTDXSA-N 1 0 330.428 2.460 10 70 EEIERO C[C@@H](CCc1ccccc1F)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160413429 463335947 /nfs/dbraw/zinc/33/59/47/463335947.db2.gz QUNCMMQNXMSYPU-RDJZCZTQSA-N 1 0 336.451 2.357 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1SCCc2sccc21 ZINC000160506483 463344214 /nfs/dbraw/zinc/34/42/14/463344214.db2.gz DEHUBQVJQCFZIB-WFASDCNBSA-N 1 0 340.514 2.042 10 70 EEIERO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160585615 463352913 /nfs/dbraw/zinc/35/29/13/463352913.db2.gz RXPYIMBGSCCGAO-UYAOXDASSA-N 1 0 346.471 2.076 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1OCC1CC1 ZINC000160634389 463357176 /nfs/dbraw/zinc/35/71/76/463357176.db2.gz WJXCLCGDBIADDF-INIZCTEOSA-N 1 0 332.444 2.052 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324977 463420358 /nfs/dbraw/zinc/42/03/58/463420358.db2.gz RPIIBWBPPXNKEF-LBPRGKRZSA-N 1 0 349.385 2.394 10 70 EEIERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000161468321 463431700 /nfs/dbraw/zinc/43/17/00/463431700.db2.gz QMNDTONTTJCIOP-GOSISDBHSA-N 1 0 325.412 2.437 10 70 EEIERO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000160077053 527255027 /nfs/dbraw/zinc/25/50/27/527255027.db2.gz RVCAVTDBNBKIAM-OCABNYQQSA-N 1 0 347.503 2.047 10 70 EEIERO CC[NH+]1CCN(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000160001832 276194449 /nfs/dbraw/zinc/19/44/49/276194449.db2.gz LSXRXDDTEPZEIG-QGZVFWFLSA-N 1 0 345.487 2.433 10 70 EEIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C(=O)OC)cs1 ZINC000160872322 311359591 /nfs/dbraw/zinc/35/95/91/311359591.db2.gz YQSXSRHGULCKQQ-GFCCVEGCSA-N 1 0 325.434 2.483 10 70 EEIERO CC(=O)N[C@@H](CC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159798786 463305501 /nfs/dbraw/zinc/30/55/01/463305501.db2.gz OEMBLOAJVZTYQA-IBGZPJMESA-N 1 0 343.471 2.245 10 70 EEIERO CCCN(CCC)C(=O)CS(=O)(=O)Cc1nccn1C(C)C ZINC000161219928 463411500 /nfs/dbraw/zinc/41/15/00/463411500.db2.gz UFNDFCKDFJWUBR-UHFFFAOYSA-N 1 0 329.466 2.027 10 70 EEIERO CC[C@@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160013379 529245871 /nfs/dbraw/zinc/24/58/71/529245871.db2.gz LGIYQRHOPQANIA-FUHWJXTLSA-N 1 0 334.460 2.115 10 70 EEIERO NC(=O)CC1CC[NH+](C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CC1 ZINC000159753618 225272844 /nfs/dbraw/zinc/27/28/44/225272844.db2.gz TVWURTALPQNPEK-HNNXBMFYSA-N 1 0 335.835 2.420 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)cnc21 ZINC000160431240 294471483 /nfs/dbraw/zinc/47/14/83/294471483.db2.gz YWROZYIOZGSXJS-OAHLLOKOSA-N 1 0 327.432 2.059 10 70 EEIERO COc1cccc([C@@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159904212 533698235 /nfs/dbraw/zinc/69/82/35/533698235.db2.gz DMFXGDMKADASDL-RDJZCZTQSA-N 1 0 334.460 2.152 10 70 EEIERO CCCC[C@H](NC(=O)C[N@H+](C)[C@@H]1CCSC1)C(=O)OC(C)(C)C ZINC000161147748 311362798 /nfs/dbraw/zinc/36/27/98/311362798.db2.gz SORSCBRTHBMHKE-KGLIPLIRSA-N 1 0 344.521 2.440 10 70 EEIERO C[C@@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160815168 463373981 /nfs/dbraw/zinc/37/39/81/463373981.db2.gz ZTDJIPGPIYBURM-HOCLYGCPSA-N 1 0 338.879 2.482 10 70 EEIERO CCC[C@H]1CN(C(=O)NCc2cnc(C)s2)CC[N@@H+]1CCOC ZINC000160925184 463382510 /nfs/dbraw/zinc/38/25/10/463382510.db2.gz GNFRRUBTIFEMPE-AWEZNQCLSA-N 1 0 340.493 2.094 10 70 EEIERO C[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[N@H+](C)C1CC1 ZINC000161310722 463417873 /nfs/dbraw/zinc/41/78/73/463417873.db2.gz RAEFHYQFHKKBSQ-UWVGGRQHSA-N 1 0 344.381 2.132 10 70 EEIERO CC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000160291920 527389633 /nfs/dbraw/zinc/38/96/33/527389633.db2.gz SPYNMSXXJIPZLN-MRXNPFEDSA-N 1 0 338.473 2.288 10 70 EEIERO C[NH+]1CCN([C@H]2CCCCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000160064673 529776560 /nfs/dbraw/zinc/77/65/60/529776560.db2.gz YTRCHBMKTVGUKF-AWEZNQCLSA-N 1 0 337.537 2.442 10 70 EEIERO CC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000160324926 539520955 /nfs/dbraw/zinc/52/09/55/539520955.db2.gz GWPFJPANVMMXTG-GFCCVEGCSA-N 1 0 347.385 2.065 10 70 EEIERO CCc1noc([C@@H](C)N2CCN(CCC[NH+]3CCCCC3)CC2)n1 ZINC000161346900 159724643 /nfs/dbraw/zinc/72/46/43/159724643.db2.gz IEWCSJCKWIVFSJ-MRXNPFEDSA-N 1 0 335.496 2.187 10 70 EEIERO O=C(/C=C/c1ccc2ccccc2n1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160007475 225318511 /nfs/dbraw/zinc/31/85/11/225318511.db2.gz JNTMYOIYGLLPSO-ZGKFYVQTSA-N 1 0 339.439 2.211 10 70 EEIERO [NH3+][C@@H]1CCC[C@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)C1 ZINC000161340499 225606599 /nfs/dbraw/zinc/60/65/99/225606599.db2.gz JZGXDSKGHOXMLQ-NWDGAFQWSA-N 1 0 328.372 2.261 10 70 EEIERO Cn1cnc2cc(C(=O)N3C[C@H]([NH+](C)C)Cc4ccccc43)cnc21 ZINC000160447937 276847137 /nfs/dbraw/zinc/84/71/37/276847137.db2.gz LUXUHNWLDNYYLD-OAHLLOKOSA-N 1 0 335.411 2.101 10 70 EEIERO Cc1cccc(-n2cc(C(=O)NCC[N@H+]3CCCC[C@H]3C)nn2)c1 ZINC000160253072 311351929 /nfs/dbraw/zinc/35/19/29/311351929.db2.gz WXKFQHYVKKMBEX-OAHLLOKOSA-N 1 0 327.432 2.180 10 70 EEIERO CC[C@H](COC)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000160224765 463323983 /nfs/dbraw/zinc/32/39/83/463323983.db2.gz ZQEFXBYJQAATKX-ZMSDIMECSA-N 1 0 334.464 2.016 10 70 EEIERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1c2ccccc2CCC1=O ZINC000160266301 463324857 /nfs/dbraw/zinc/32/48/57/463324857.db2.gz LOKURMGTQIEUKH-DOTOQJQBSA-N 1 0 341.455 2.051 10 70 EEIERO CCc1nn(C)c(Cl)c1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000160478033 463340886 /nfs/dbraw/zinc/34/08/86/463340886.db2.gz ZNKBZFMYPWAHOI-UHFFFAOYSA-N 1 0 347.850 2.430 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000160528518 463346549 /nfs/dbraw/zinc/34/65/49/463346549.db2.gz QEGUDWHOKYFFSQ-NVXWUHKLSA-N 1 0 330.428 2.005 10 70 EEIERO Cc1nc(C[C@H]2CCCN(CCS(=O)(=O)c3ccccc3)C2)no1 ZINC000161046734 463394122 /nfs/dbraw/zinc/39/41/22/463394122.db2.gz WCGQCZQFWHWZGP-OAHLLOKOSA-N 1 0 349.456 2.106 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC000161324591 463421104 /nfs/dbraw/zinc/42/11/04/463421104.db2.gz XETIWILWJQYJIH-GFCCVEGCSA-N 1 0 349.385 2.394 10 70 EEIERO COc1cc(CCNC(=O)NC2CCC(C[NH+](C)C)CC2)ccc1O ZINC000159899324 539518892 /nfs/dbraw/zinc/51/88/92/539518892.db2.gz WXKDTDPHNBEYST-UHFFFAOYSA-N 1 0 349.475 2.363 10 70 EEIERO CC[N@@H+]1CCC[C@H]1CNC(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000160325072 539521026 /nfs/dbraw/zinc/52/10/26/539521026.db2.gz GWPFJPANVMMXTG-LBPRGKRZSA-N 1 0 347.385 2.065 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000159910228 225299655 /nfs/dbraw/zinc/29/96/55/225299655.db2.gz WPFSYNVMIZULBQ-AEGPPILISA-N 1 0 338.398 2.031 10 70 EEIERO CC(C)[N@H+](CCc1nccs1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000159900609 463310655 /nfs/dbraw/zinc/31/06/55/463310655.db2.gz RLEFMMZIGRLCLA-AWEZNQCLSA-N 1 0 345.534 2.068 10 70 EEIERO CNc1ncc(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)s1 ZINC000160379573 463333544 /nfs/dbraw/zinc/33/35/44/463333544.db2.gz MBJPZFRKYMSIFI-OCCSQVGLSA-N 1 0 345.472 2.220 10 70 EEIERO C[C@@H]1C[C@H](N(C)C(=O)NCc2cn(C)nc2C(F)(F)F)CC[N@@H+]1C ZINC000160848310 463376102 /nfs/dbraw/zinc/37/61/02/463376102.db2.gz NABKGLJVHVRVIQ-ZYHUDNBSSA-N 1 0 347.385 2.063 10 70 EEIERO C[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C[NH+]1CCCC1 ZINC000161071451 463397349 /nfs/dbraw/zinc/39/73/49/463397349.db2.gz YGSCVMZIZONMHQ-CQSZACIVSA-N 1 0 347.434 2.414 10 70 EEIERO CC[N@@H+](CCc1nccs1)CCN1C(=O)c2ccccc2C1=O ZINC000159430535 528607291 /nfs/dbraw/zinc/60/72/91/528607291.db2.gz ARNYTGWXHVECIO-UHFFFAOYSA-N 1 0 329.425 2.304 10 70 EEIERO CN(C)c1cccc(CN(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)c1 ZINC000160237192 539520465 /nfs/dbraw/zinc/52/04/65/539520465.db2.gz URXYAHGEDSEBLW-UHFFFAOYSA-N 1 0 344.463 2.175 10 70 EEIERO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)C(=O)Nc1nccs1 ZINC000159862885 311347453 /nfs/dbraw/zinc/34/74/53/311347453.db2.gz MBLFCFALGCTNEH-RYUDHWBXSA-N 1 0 342.428 2.402 10 70 EEIERO CN(C)c1cccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000160372138 311353535 /nfs/dbraw/zinc/35/35/35/311353535.db2.gz FYUUSPSBERUEAW-UHFFFAOYSA-N 1 0 333.480 2.211 10 70 EEIERO CCC[C@H]1CN(C(=O)NCCc2ccsc2)CC[N@@H+]1CCOC ZINC000160362942 311353625 /nfs/dbraw/zinc/35/36/25/311353625.db2.gz UOWZACJAMPNMEK-INIZCTEOSA-N 1 0 339.505 2.433 10 70 EEIERO CC1CC[NH+](CCNC(=O)CCc2cc3ccccc3[nH]c2=O)CC1 ZINC000160462667 311354269 /nfs/dbraw/zinc/35/42/69/311354269.db2.gz HFVRRSPAWMUFOI-UHFFFAOYSA-N 1 0 341.455 2.309 10 70 EEIERO C[NH+](C)C1CCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159468237 463288391 /nfs/dbraw/zinc/28/83/91/463288391.db2.gz HEDNWMYUFJBONT-JTQLQIEISA-N 1 0 344.381 2.086 10 70 EEIERO C[C@H]1C[C@@H](NC(=O)N2CCC(C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000160003269 463313662 /nfs/dbraw/zinc/31/36/62/463313662.db2.gz YJUQTIDUSQQTGE-WMLDXEAASA-N 1 0 335.492 2.460 10 70 EEIERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1c2ccccc2CCC1=O ZINC000160266166 463325786 /nfs/dbraw/zinc/32/57/86/463325786.db2.gz LOKURMGTQIEUKH-NVXWUHKLSA-N 1 0 341.455 2.051 10 70 EEIERO COc1ccc([C@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160652566 463359266 /nfs/dbraw/zinc/35/92/66/463359266.db2.gz FVXNNUFVEDIMHM-WBVHZDCISA-N 1 0 334.460 2.152 10 70 EEIERO CCC[C@H](C(=O)Nc1cccc(-c2nnnn2C2CC2)c1)[NH+](C)C ZINC000161361983 463425442 /nfs/dbraw/zinc/42/54/42/463425442.db2.gz YETYDGHRWOAEQO-OAHLLOKOSA-N 1 0 328.420 2.344 10 70 EEIERO CCCN(CC)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160090302 528011268 /nfs/dbraw/zinc/01/12/68/528011268.db2.gz BPEDKMLPLMVJDC-IBGZPJMESA-N 1 0 347.503 2.500 10 70 EEIERO Cc1ccn(-c2ccccc2NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)n1 ZINC000160580788 539522278 /nfs/dbraw/zinc/52/22/78/539522278.db2.gz ICPWMDYLBAUZRZ-WMLDXEAASA-N 1 0 343.431 2.021 10 70 EEIERO C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000160139412 533275236 /nfs/dbraw/zinc/27/52/36/533275236.db2.gz JESQNNGXDFYEMO-NEPJUHHUSA-N 1 0 330.881 2.468 10 70 EEIERO CC(C)[C@H](O)C(C)(C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160193834 311350853 /nfs/dbraw/zinc/35/08/53/311350853.db2.gz LLMZQHGOODXKLO-GPANFISMSA-N 1 0 327.513 2.449 10 70 EEIERO COCCCOc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000160526260 311354974 /nfs/dbraw/zinc/35/49/74/311354974.db2.gz ITHNRXWVFPKCKV-QGZVFWFLSA-N 1 0 349.475 2.347 10 70 EEIERO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000159435371 463285880 /nfs/dbraw/zinc/28/58/80/463285880.db2.gz IMLHTVBGCUGZDH-YOEHRIQHSA-N 1 0 342.505 2.433 10 70 EEIERO CCCOC(=O)[C@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160291538 463327240 /nfs/dbraw/zinc/32/72/40/463327240.db2.gz MZBMVVWAEQPMST-XHSDSOJGSA-N 1 0 326.481 2.149 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)c(F)cc1Cl ZINC000160604452 463353698 /nfs/dbraw/zinc/35/36/98/463353698.db2.gz BJJPJLINDJCSEA-JTQLQIEISA-N 1 0 332.778 2.195 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160678814 463361581 /nfs/dbraw/zinc/36/15/81/463361581.db2.gz ROWYVGHYGYQYDW-HOCLYGCPSA-N 1 0 338.398 2.297 10 70 EEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)N1CCC(c2ccccc2)=N1 ZINC000160965444 463385918 /nfs/dbraw/zinc/38/59/18/463385918.db2.gz PLYYDUOXVHXSBA-YLJYHZDGSA-N 1 0 341.455 2.250 10 70 EEIERO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NCC1(c2ccccc2)CC1 ZINC000161155143 463405076 /nfs/dbraw/zinc/40/50/76/463405076.db2.gz YMPKQNRFMZWHTO-WIYYLYMNSA-N 1 0 342.483 2.461 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(OC)cc2)C1 ZINC000161325119 463420569 /nfs/dbraw/zinc/42/05/69/463420569.db2.gz UXGXDAWDBYJQMX-CQSZACIVSA-N 1 0 343.431 2.125 10 70 EEIERO COc1cccc([C@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000159904369 533766286 /nfs/dbraw/zinc/76/62/86/533766286.db2.gz DMFXGDMKADASDL-WBVHZDCISA-N 1 0 334.460 2.152 10 70 EEIERO Cc1conc1NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000161019944 534754992 /nfs/dbraw/zinc/75/49/92/534754992.db2.gz RFCZTXIEPZTRLD-OAHLLOKOSA-N 1 0 348.447 2.036 10 70 EEIERO CC[C@@H](Oc1ccccc1C)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160182098 529248157 /nfs/dbraw/zinc/24/81/57/529248157.db2.gz KXAYBMWIEKWRSJ-DLBZAZTESA-N 1 0 334.460 2.115 10 70 EEIERO CC[NH+]1CCN(c2ccc(C(=O)Nc3c[nH]c(=O)c(C)c3)cc2)CC1 ZINC000159370619 311340667 /nfs/dbraw/zinc/34/06/67/311340667.db2.gz LFEZBXHDXOMJSV-UHFFFAOYSA-N 1 0 340.427 2.078 10 70 EEIERO CC(C)[C@@H](O)C(C)(C)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160193961 311350935 /nfs/dbraw/zinc/35/09/35/311350935.db2.gz LLMZQHGOODXKLO-UYSNPLJNSA-N 1 0 327.513 2.449 10 70 EEIERO CC(=O)N[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)c1ccccc1 ZINC000160528660 311355024 /nfs/dbraw/zinc/35/50/24/311355024.db2.gz ZZDGWBHQAYWSND-MOPGFXCFSA-N 1 0 345.487 2.491 10 70 EEIERO C[C@@H](CCOc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160629609 463355918 /nfs/dbraw/zinc/35/59/18/463355918.db2.gz DPPWFWRVTAKMOH-IRXDYDNUSA-N 1 0 334.460 2.055 10 70 EEIERO CCC[C@@H]1CN(C(=O)NCc2cnc(C)s2)CC[N@@H+]1CCOC ZINC000160925069 463382692 /nfs/dbraw/zinc/38/26/92/463382692.db2.gz GNFRRUBTIFEMPE-CQSZACIVSA-N 1 0 340.493 2.094 10 70 EEIERO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000161125333 463401953 /nfs/dbraw/zinc/40/19/53/463401953.db2.gz LRPXWTBRSFWYPA-SECBINFHSA-N 1 0 330.222 2.469 10 70 EEIERO C[C@@H]1CCc2sc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2C1 ZINC000160126072 534271205 /nfs/dbraw/zinc/27/12/05/534271205.db2.gz FCGWPBNNLAGMDY-HIFRSBDPSA-N 1 0 336.501 2.450 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159962098 237225892 /nfs/dbraw/zinc/22/58/92/237225892.db2.gz NUSCCVJLNVPCIY-LZWOXQAQSA-N 1 0 338.398 2.031 10 70 EEIERO CC[N@H+](CCc1nccs1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000159407573 311341104 /nfs/dbraw/zinc/34/11/04/311341104.db2.gz LULODRXFTHHAEE-UHFFFAOYSA-N 1 0 328.441 2.487 10 70 EEIERO CN(C)c1ncccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160295672 311352583 /nfs/dbraw/zinc/35/25/83/311352583.db2.gz IANKXNXQFLQBGS-UHFFFAOYSA-N 1 0 347.507 2.411 10 70 EEIERO COC[C@@H](C)C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160668598 311357251 /nfs/dbraw/zinc/35/72/51/311357251.db2.gz LBSGAAOBHWUYQL-GWCFXTLKSA-N 1 0 329.238 2.190 10 70 EEIERO C[C@@H](Oc1cccc(CO)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000161088689 311361936 /nfs/dbraw/zinc/36/19/36/311361936.db2.gz RHXDDJQRPNRNFC-MRXNPFEDSA-N 1 0 334.460 2.329 10 70 EEIERO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cn1 ZINC000159463946 463287187 /nfs/dbraw/zinc/28/71/87/463287187.db2.gz JJKXENRBMHNTQS-INIZCTEOSA-N 1 0 342.491 2.291 10 70 EEIERO Cc1cccc2nc(CNC(=O)N3CCC(c4cc[nH]n4)CC3)cn21 ZINC000159544502 463291274 /nfs/dbraw/zinc/29/12/74/463291274.db2.gz SJDLBFQHURTHPB-UHFFFAOYSA-N 1 0 338.415 2.455 10 70 EEIERO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159625360 463296208 /nfs/dbraw/zinc/29/62/08/463296208.db2.gz SBUHLVYMTJSLFF-MRXNPFEDSA-N 1 0 333.480 2.184 10 70 EEIERO Cc1ccc(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000160665934 463360584 /nfs/dbraw/zinc/36/05/84/463360584.db2.gz PXIBEUXUEOGPPW-KRWDZBQOSA-N 1 0 334.460 2.035 10 70 EEIERO C[C@H](Cc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160815295 463373804 /nfs/dbraw/zinc/37/38/04/463373804.db2.gz ZTDJIPGPIYBURM-ZBFHGGJFSA-N 1 0 338.879 2.482 10 70 EEIERO COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160990044 463388386 /nfs/dbraw/zinc/38/83/86/463388386.db2.gz DPJNWQLLJBTIOQ-QWFCFKBJSA-N 1 0 349.471 2.200 10 70 EEIERO Cc1ccc(OCCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000160588063 255799529 /nfs/dbraw/zinc/79/95/29/255799529.db2.gz APAJIYAIDBVYFY-SFHVURJKSA-N 1 0 348.487 2.425 10 70 EEIERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000161157298 287221681 /nfs/dbraw/zinc/22/16/81/287221681.db2.gz MCBUPZFQQIHQRG-UUAJXVIYSA-N 1 0 333.476 2.212 10 70 EEIERO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3ccnn3)cc2)on1 ZINC000159840467 311346994 /nfs/dbraw/zinc/34/69/94/311346994.db2.gz PPQWBZYTGUVGHU-OLZOCXBDSA-N 1 0 340.387 2.242 10 70 EEIERO CN(C)c1ncccc1CNC(=O)N(C)CCC(=O)OC(C)(C)C ZINC000160250984 311351704 /nfs/dbraw/zinc/35/17/04/311351704.db2.gz UPZYGZKTXNNTCC-UHFFFAOYSA-N 1 0 336.436 2.021 10 70 EEIERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc(Cl)c1OC ZINC000159578693 463294268 /nfs/dbraw/zinc/29/42/68/463294268.db2.gz IMJRZDVKOZSVFG-PWSUYJOCSA-N 1 0 326.824 2.443 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)c(Cl)c1OC ZINC000159693929 463299981 /nfs/dbraw/zinc/29/99/81/463299981.db2.gz QHLOHROXXSHZPE-ZYHUDNBSSA-N 1 0 326.824 2.443 10 70 EEIERO O=C(COc1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159859868 463307743 /nfs/dbraw/zinc/30/77/43/463307743.db2.gz LPUFZOPJMCLCSI-BETUJISGSA-N 1 0 328.334 2.437 10 70 EEIERO CCc1[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(C)c1C(=O)OC ZINC000161093255 463398678 /nfs/dbraw/zinc/39/86/78/463398678.db2.gz VVTCXAYXUHJHNP-SMDDNHRTSA-N 1 0 335.448 2.131 10 70 EEIERO COc1ccc2c(c1)OC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)C2 ZINC000160549603 539521997 /nfs/dbraw/zinc/52/19/97/539521997.db2.gz IJPYZNKGXBBGMP-IAGOWNOFSA-N 1 0 346.471 2.483 10 70 EEIERO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCO[C@@H](c2cccs2)C1 ZINC000161109417 539524623 /nfs/dbraw/zinc/52/46/23/539524623.db2.gz CYIKKLGMIXGARY-LSDHHAIUSA-N 1 0 335.473 2.315 10 70 EEIERO C[C@@H](NC(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000161401072 539528184 /nfs/dbraw/zinc/52/81/84/539528184.db2.gz AIHUNGXQXVAGLF-OAHLLOKOSA-N 1 0 342.418 2.220 10 70 EEIERO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(C2CCOCC2)CC1 ZINC000159632032 463296552 /nfs/dbraw/zinc/29/65/52/463296552.db2.gz HJSRWMHWGIGGPR-HNNXBMFYSA-N 1 0 335.492 2.319 10 70 EEIERO CNC(=O)c1ccc(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)nn1 ZINC000160794005 463371875 /nfs/dbraw/zinc/37/18/75/463371875.db2.gz RDRFRAQKAQHRII-IBGZPJMESA-N 1 0 339.443 2.303 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000161294401 463417513 /nfs/dbraw/zinc/41/75/13/463417513.db2.gz CSMVFFZJQXHPNP-HOTGVXAUSA-N 1 0 333.480 2.269 10 70 EEIERO O=C1CCCN1CCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000159568698 284788305 /nfs/dbraw/zinc/78/83/05/284788305.db2.gz JMWZYYLRHZHWHW-UHFFFAOYSA-N 1 0 341.455 2.421 10 70 EEIERO CC[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000160434346 159711752 /nfs/dbraw/zinc/71/17/52/159711752.db2.gz IOHZNPWXDNDIDG-SFHVURJKSA-N 1 0 334.416 2.227 10 70 EEIERO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)c(SC)c1 ZINC000161304630 311364321 /nfs/dbraw/zinc/36/43/21/311364321.db2.gz WXPVUBDDTJBASN-ZDUSSCGKSA-N 1 0 326.437 2.388 10 70 EEIERO CC(C)NC(=O)Nc1cccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000160277078 463325737 /nfs/dbraw/zinc/32/57/37/463325737.db2.gz KVIZMDNVUGMKOR-IYBDPMFKSA-N 1 0 330.432 2.183 10 70 EEIERO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160601530 463353824 /nfs/dbraw/zinc/35/38/24/463353824.db2.gz USRZXUSPDHFSRU-ROUUACIJSA-N 1 0 335.492 2.461 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000161349906 463424393 /nfs/dbraw/zinc/42/43/93/463424393.db2.gz KTYKAEWQUFHRMF-HNNXBMFYSA-N 1 0 328.416 2.449 10 70 EEIERO c1nn(-c2ccccc2)nc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161410935 463428858 /nfs/dbraw/zinc/42/88/58/463428858.db2.gz DVVRAFLECHZRIZ-OAHLLOKOSA-N 1 0 349.442 2.185 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)C(C)(C)NC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000161411581 463429177 /nfs/dbraw/zinc/42/91/77/463429177.db2.gz HVJNYDZRTHIKHY-HOCLYGCPSA-N 1 0 346.475 2.432 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nccn1C(F)F ZINC000159812479 527979762 /nfs/dbraw/zinc/97/97/62/527979762.db2.gz IZMJVRFKBTXLBH-GFCCVEGCSA-N 1 0 329.395 2.198 10 70 EEIERO CCN(Cc1ccccc1)C(=O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000161302212 539526235 /nfs/dbraw/zinc/52/62/35/539526235.db2.gz GLUFGYJNQDBXOQ-UHFFFAOYSA-N 1 0 338.455 2.252 10 70 EEIERO CCCN(C[C@H]1CCCCO1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000161490668 539528348 /nfs/dbraw/zinc/52/83/48/539528348.db2.gz AONWLNLCOBVFNZ-MRXNPFEDSA-N 1 0 337.468 2.258 10 70 EEIERO COc1ccccc1C[C@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160592436 255799462 /nfs/dbraw/zinc/79/94/62/255799462.db2.gz JBPQVTWDBWFACB-WMZOPIPTSA-N 1 0 348.487 2.227 10 70 EEIERO C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1cccs1 ZINC000159385068 225206679 /nfs/dbraw/zinc/20/66/79/225206679.db2.gz QUGCWCZQONJHAE-HZPDHXFCSA-N 1 0 335.517 2.480 10 70 EEIERO CC[NH+]1CCN(CCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000160001960 463314440 /nfs/dbraw/zinc/31/44/40/463314440.db2.gz LSXRXDDTEPZEIG-KRWDZBQOSA-N 1 0 345.487 2.433 10 70 EEIERO Cc1nc2c(cnn2C(C)C)cc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160413959 463335555 /nfs/dbraw/zinc/33/55/55/463335555.db2.gz FLLZSWSSBQWSBN-GASCZTMLSA-N 1 0 327.432 2.287 10 70 EEIERO CCOc1ccc(OC[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160593571 463352889 /nfs/dbraw/zinc/35/28/89/463352889.db2.gz BATFASSBTBFXQM-MBOZVWFJSA-N 1 0 349.471 2.452 10 70 EEIERO COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000160802394 463373091 /nfs/dbraw/zinc/37/30/91/463373091.db2.gz OBPULSYJCNPKDM-LSDHHAIUSA-N 1 0 330.432 2.064 10 70 EEIERO CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160825870 463374150 /nfs/dbraw/zinc/37/41/50/463374150.db2.gz NGMDFFDCDRYVSP-ZIAGYGMSSA-N 1 0 343.431 2.146 10 70 EEIERO C[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)Nc1ncccn1 ZINC000160841764 463376142 /nfs/dbraw/zinc/37/61/42/463376142.db2.gz JHOOSPJVIUDSMC-UONOGXRCSA-N 1 0 336.399 2.340 10 70 EEIERO C[NH+]1CCN([C@@H]2CCCCN(c3nc(C(C)(C)C)ns3)C2)CC1 ZINC000160064845 529775719 /nfs/dbraw/zinc/77/57/19/529775719.db2.gz YTRCHBMKTVGUKF-CQSZACIVSA-N 1 0 337.537 2.442 10 70 EEIERO Cc1ccc(OCCCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160104694 237231990 /nfs/dbraw/zinc/23/19/90/237231990.db2.gz GVHFMFKQCBFRRI-GOSISDBHSA-N 1 0 348.487 2.425 10 70 EEIERO CC(C)c1noc(CCCNC(=O)NC[C@H](C)C[NH+]2CCCC2)n1 ZINC000161189853 311363467 /nfs/dbraw/zinc/36/34/67/311363467.db2.gz GXQJZVRNEJEJFA-AWEZNQCLSA-N 1 0 337.468 2.157 10 70 EEIERO CSCc1nc2ccccc2n1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159378296 463282602 /nfs/dbraw/zinc/28/26/02/463282602.db2.gz QKKDWVHMMHLNDO-OKILXGFUSA-N 1 0 344.484 2.252 10 70 EEIERO O=C(NCCCc1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000159520570 463289845 /nfs/dbraw/zinc/28/98/45/463289845.db2.gz JHVSOWYKEYVPKN-CYBMUJFWSA-N 1 0 325.250 2.498 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc1OC(F)F ZINC000159600859 463295552 /nfs/dbraw/zinc/29/55/52/463295552.db2.gz WVCSDBZBCBJYFR-PWSUYJOCSA-N 1 0 328.359 2.382 10 70 EEIERO O=C(Cc1csc(-c2cccnc2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160411262 463335999 /nfs/dbraw/zinc/33/59/99/463335999.db2.gz ZEUQGAZJXQTZAC-OKILXGFUSA-N 1 0 328.441 2.101 10 70 EEIERO Cc1ccc(C)c(SCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160484765 463342609 /nfs/dbraw/zinc/34/26/09/463342609.db2.gz SBQZPCSOEWDXPR-INIZCTEOSA-N 1 0 336.501 2.359 10 70 EEIERO COc1ccc(C(=O)CCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160654693 463359231 /nfs/dbraw/zinc/35/92/31/463359231.db2.gz JMYUZZIVWXEGMZ-IYBDPMFKSA-N 1 0 330.428 2.401 10 70 EEIERO CC(C)[NH2+]C1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160779487 463370137 /nfs/dbraw/zinc/37/01/37/463370137.db2.gz USHLGILXOXFESK-UHFFFAOYSA-N 1 0 347.385 2.111 10 70 EEIERO C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(CC(F)(F)F)n2)CC[N@@H+]1C ZINC000160896761 463380121 /nfs/dbraw/zinc/38/01/21/463380121.db2.gz STWJACLVYFNLNF-WDEREUQCSA-N 1 0 333.358 2.392 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000161325791 463420711 /nfs/dbraw/zinc/42/07/11/463420711.db2.gz NIWZASXIVRSCAG-HOTGVXAUSA-N 1 0 333.480 2.124 10 70 EEIERO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000161363549 463425853 /nfs/dbraw/zinc/42/58/53/463425853.db2.gz PYVYEHXAGAAMGI-FZMZJTMJSA-N 1 0 335.448 2.267 10 70 EEIERO CCC[C@@H](C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1)[NH+](C)C ZINC000161419302 463430222 /nfs/dbraw/zinc/43/02/22/463430222.db2.gz WIAZOEUBJSQNNB-IBGZPJMESA-N 1 0 347.503 2.460 10 70 EEIERO CC(C)(C)c1ncc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000160062868 526878819 /nfs/dbraw/zinc/87/88/19/526878819.db2.gz AXSQLPWMVNHOIG-LBPRGKRZSA-N 1 0 325.478 2.017 10 70 EEIERO CCc1cccc2c(CC(=O)NC[C@@H](O)C[NH+]3CCCCC3)c[nH]c21 ZINC000160109050 529550836 /nfs/dbraw/zinc/55/08/36/529550836.db2.gz FNGJXWHXRZBADP-QGZVFWFLSA-N 1 0 343.471 2.236 10 70 EEIERO Cc1[nH]nc(C(C)C)c1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000159479121 539516176 /nfs/dbraw/zinc/51/61/76/539516176.db2.gz FPPZOUNFNKRCOQ-UHFFFAOYSA-N 1 0 342.447 2.241 10 70 EEIERO O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000159949455 225309180 /nfs/dbraw/zinc/30/91/80/225309180.db2.gz CEDHHMLOZIBVTO-OALUTQOASA-N 1 0 346.471 2.117 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000160341792 273985328 /nfs/dbraw/zinc/98/53/28/273985328.db2.gz QGQNAVZBFVEZBD-YESZJQIVSA-N 1 0 336.863 2.407 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000159830718 279286700 /nfs/dbraw/zinc/28/67/00/279286700.db2.gz HQPOLZVBHVUCOK-OAHLLOKOSA-N 1 0 349.475 2.372 10 70 EEIERO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccc(F)cc1 ZINC000160065008 463316608 /nfs/dbraw/zinc/31/66/08/463316608.db2.gz RMFAEBZEBJGMQU-GASCZTMLSA-N 1 0 328.391 2.286 10 70 EEIERO Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)no1 ZINC000160904137 463380803 /nfs/dbraw/zinc/38/08/03/463380803.db2.gz XXNGZMJEOFHJER-CQSZACIVSA-N 1 0 329.404 2.141 10 70 EEIERO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C[C@H](C)O)C(C)C)c2c1 ZINC000161008438 463390917 /nfs/dbraw/zinc/39/09/17/463390917.db2.gz YCVXIJJLRKBSPI-LBPRGKRZSA-N 1 0 332.400 2.228 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(Cc2csc(NC(C)=O)n2)C1 ZINC000161326476 463420912 /nfs/dbraw/zinc/42/09/12/463420912.db2.gz FLHKOSYVRBXYMZ-GFCCVEGCSA-N 1 0 334.449 2.093 10 70 EEIERO CCC[C@H](C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[NH+](C)C ZINC000160028381 527982292 /nfs/dbraw/zinc/98/22/92/527982292.db2.gz UHHYNWHOTIAWIG-RTBURBONSA-N 1 0 347.503 2.215 10 70 EEIERO Cc1ccc(-n2cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)nn2)cc1 ZINC000160524036 311355050 /nfs/dbraw/zinc/35/50/50/311355050.db2.gz VFVPVBYGCLNRLC-QGZVFWFLSA-N 1 0 341.459 2.426 10 70 EEIERO CCC[C@@H]1CN(C(=O)NCc2cccc(C)n2)CC[N@@H+]1CCOC ZINC000160679366 311357497 /nfs/dbraw/zinc/35/74/97/311357497.db2.gz QJUJEHPOOXJHSW-QGZVFWFLSA-N 1 0 334.464 2.032 10 70 EEIERO CCn1cc(CC(=O)NC[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000160394335 463334955 /nfs/dbraw/zinc/33/49/55/463334955.db2.gz VFHMZACCOBBNHR-KRWDZBQOSA-N 1 0 343.471 2.167 10 70 EEIERO C[C@@H]1CCc2c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)csc2C1 ZINC000160496454 463343843 /nfs/dbraw/zinc/34/38/43/463343843.db2.gz XOPWQXOHGOKLOE-KGLIPLIRSA-N 1 0 336.501 2.450 10 70 EEIERO COc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000160557763 463349221 /nfs/dbraw/zinc/34/92/21/463349221.db2.gz PSKWGIUZXDVRAQ-TXEJJXNPSA-N 1 0 326.343 2.263 10 70 EEIERO CCCN(C)c1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160590333 463353085 /nfs/dbraw/zinc/35/30/85/463353085.db2.gz DLDZSYCOUQKFAW-SFHVURJKSA-N 1 0 333.476 2.109 10 70 EEIERO Cc1c(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cnn1CC(C)C ZINC000160924878 463383152 /nfs/dbraw/zinc/38/31/52/463383152.db2.gz LUVLKCRREXXLHH-OAHLLOKOSA-N 1 0 348.491 2.173 10 70 EEIERO CC(C)[N@H+](C)CC(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000161165837 463406665 /nfs/dbraw/zinc/40/66/65/463406665.db2.gz VZNPQDKETSGUOY-UHFFFAOYSA-N 1 0 326.387 2.427 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC000161307786 463418278 /nfs/dbraw/zinc/41/82/78/463418278.db2.gz DRARCGAXGXXFIY-MRXNPFEDSA-N 1 0 328.416 2.464 10 70 EEIERO C[C@H](CCO)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000159616512 533974453 /nfs/dbraw/zinc/97/44/53/533974453.db2.gz QEQABHIYQBAGDB-CCNLRDMRSA-N 1 0 331.460 2.252 10 70 EEIERO CCC[C@@H](C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)[NH+](C)C ZINC000159556785 528849388 /nfs/dbraw/zinc/84/93/88/528849388.db2.gz PNUKQHDJEAELNG-HNNXBMFYSA-N 1 0 346.431 2.333 10 70 EEIERO C[C@H](SCc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160122062 225342681 /nfs/dbraw/zinc/34/26/81/225342681.db2.gz CHIDBUHPCFFVHO-RDJZCZTQSA-N 1 0 336.501 2.271 10 70 EEIERO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCOC2)CC1 ZINC000161251633 278424984 /nfs/dbraw/zinc/42/49/84/278424984.db2.gz TZFFRHRWWLCCJM-WMLDXEAASA-N 1 0 332.448 2.037 10 70 EEIERO C[C@@H]1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160036114 311349372 /nfs/dbraw/zinc/34/93/72/311349372.db2.gz ZFNHUBFZDBAHML-SJLPKXTDSA-N 1 0 342.487 2.139 10 70 EEIERO C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000161485914 311366547 /nfs/dbraw/zinc/36/65/47/311366547.db2.gz KXROSZNYEWYQJK-FRFSOERESA-N 1 0 334.485 2.274 10 70 EEIERO COc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc(Cl)c1OC ZINC000159579061 463293475 /nfs/dbraw/zinc/29/34/75/463293475.db2.gz IMJRZDVKOZSVFG-CMPLNLGQSA-N 1 0 326.824 2.443 10 70 EEIERO Cn1cc([C@@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)cn1 ZINC000159719764 463300865 /nfs/dbraw/zinc/30/08/65/463300865.db2.gz OSCQBVQWGNERQL-MRXNPFEDSA-N 1 0 332.492 2.494 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn(Cc2ccccc2)nn1 ZINC000160416238 463337191 /nfs/dbraw/zinc/33/71/91/463337191.db2.gz RCXVWYXKCCHVDM-QGZVFWFLSA-N 1 0 341.459 2.177 10 70 EEIERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160449597 463339818 /nfs/dbraw/zinc/33/98/18/463339818.db2.gz AUXYZKHGISDEMP-LLVKDONJSA-N 1 0 333.358 2.393 10 70 EEIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160449713 463340359 /nfs/dbraw/zinc/34/03/59/463340359.db2.gz AUXYZKHGISDEMP-NSHDSACASA-N 1 0 333.358 2.393 10 70 EEIERO CC(C)(C)C[C@H]1CCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000160530367 463347110 /nfs/dbraw/zinc/34/71/10/463347110.db2.gz DTPXIEKQRYYGSD-MRXNPFEDSA-N 1 0 339.524 2.114 10 70 EEIERO C=C1c2ccccc2C(=O)N1CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160572963 463351391 /nfs/dbraw/zinc/35/13/91/463351391.db2.gz ZAZWILJAHFSWPO-MRXNPFEDSA-N 1 0 341.455 2.350 10 70 EEIERO CCc1noc(C)c1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000160924150 463382258 /nfs/dbraw/zinc/38/22/58/463382258.db2.gz KWYCHGNREMOTMY-UHFFFAOYSA-N 1 0 348.447 2.007 10 70 EEIERO Cc1cc(C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000161264300 463414378 /nfs/dbraw/zinc/41/43/78/463414378.db2.gz DCZXKDNRZYULDN-RDTXWAMCSA-N 1 0 326.444 2.430 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000161423295 527979935 /nfs/dbraw/zinc/97/99/35/527979935.db2.gz YCUGHXQKMUTPLT-CQSZACIVSA-N 1 0 346.431 2.259 10 70 EEIERO CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CC1 ZINC000159391343 528501427 /nfs/dbraw/zinc/50/14/27/528501427.db2.gz NJVVJIGBQPLINT-SNVBAGLBSA-N 1 0 344.381 2.134 10 70 EEIERO Cn1cc(N2CCC[C@H]([N@H+](C)CCc3ccc(F)cc3)C2=O)cn1 ZINC000159563173 529933437 /nfs/dbraw/zinc/93/34/37/529933437.db2.gz CQPOBZGHJGINBG-KRWDZBQOSA-N 1 0 330.407 2.229 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000159996207 539519516 /nfs/dbraw/zinc/51/95/16/539519516.db2.gz QVHZBSURLDWAPS-HNNXBMFYSA-N 1 0 342.447 2.066 10 70 EEIERO Cn1cnc(-c2ccc(NC(=O)NCCCC[NH+]3CCCC3)cc2)n1 ZINC000160595691 159713760 /nfs/dbraw/zinc/71/37/60/159713760.db2.gz WCBXULATHMXCND-UHFFFAOYSA-N 1 0 342.447 2.480 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000160393787 463334434 /nfs/dbraw/zinc/33/44/34/463334434.db2.gz GFGVDYHTARHOMV-YESZJQIVSA-N 1 0 336.863 2.407 10 70 EEIERO C[C@H](CCOc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160629732 463356582 /nfs/dbraw/zinc/35/65/82/463356582.db2.gz DPPWFWRVTAKMOH-SJORKVTESA-N 1 0 334.460 2.055 10 70 EEIERO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161488263 533430292 /nfs/dbraw/zinc/43/02/92/533430292.db2.gz TTWVVQJQPXDQPK-RHSMWYFYSA-N 1 0 348.468 2.485 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(Cl)cc2cccnc21 ZINC000160162350 225351719 /nfs/dbraw/zinc/35/17/19/225351719.db2.gz PYILVQQCWDIRQU-HNNXBMFYSA-N 1 0 347.846 2.465 10 70 EEIERO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000161226320 311363537 /nfs/dbraw/zinc/36/35/37/311363537.db2.gz HSVZDHGTYFWKEO-ULQDDVLXSA-N 1 0 339.524 2.364 10 70 EEIERO C[C@H]1C[C@H](NC(=O)N2CCC(C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000160003002 463314258 /nfs/dbraw/zinc/31/42/58/463314258.db2.gz YJUQTIDUSQQTGE-YOEHRIQHSA-N 1 0 335.492 2.460 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000160563479 463350234 /nfs/dbraw/zinc/35/02/34/463350234.db2.gz KVBCLDYJTHNRIS-SOUVJXGZSA-N 1 0 338.398 2.031 10 70 EEIERO O=C(CCSc1ccccc1F)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160051994 534442596 /nfs/dbraw/zinc/44/25/96/534442596.db2.gz QTQPCGYXWNCPQJ-AWEZNQCLSA-N 1 0 340.464 2.271 10 70 EEIERO CC[N@H+](CC1CCN(c2ccccn2)CC1)CC1(O)CCOCC1 ZINC000160038749 528349546 /nfs/dbraw/zinc/34/95/46/528349546.db2.gz GQAORVRCHIAHDU-UHFFFAOYSA-N 1 0 333.476 2.161 10 70 EEIERO COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(OC)CC[NH2+]CC3)C2)cc1 ZINC000159984833 463312692 /nfs/dbraw/zinc/31/26/92/463312692.db2.gz UBDPJTZSCGZOEN-GDBMZVCRSA-N 1 0 332.444 2.168 10 70 EEIERO Cc1nn(CC(C)C)c(C)c1CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160081418 463318224 /nfs/dbraw/zinc/31/82/24/463318224.db2.gz OTVVVOUYTOBQTN-CALCHBBNSA-N 1 0 332.492 2.441 10 70 EEIERO Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c12 ZINC000160324120 463328807 /nfs/dbraw/zinc/32/88/07/463328807.db2.gz BFVXBLQHOQMAFZ-BETUJISGSA-N 1 0 326.400 2.375 10 70 EEIERO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)ccc1S(C)(=O)=O ZINC000160541263 463348165 /nfs/dbraw/zinc/34/81/65/463348165.db2.gz FZGIIUREPIIFDN-QEJZJMRPSA-N 1 0 341.473 2.300 10 70 EEIERO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000161319817 463419207 /nfs/dbraw/zinc/41/92/07/463419207.db2.gz PLWFPCOHCNYMSN-CYBMUJFWSA-N 1 0 333.407 2.024 10 70 EEIERO O=C(CCSc1ccc(F)cc1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160202693 237236861 /nfs/dbraw/zinc/23/68/61/237236861.db2.gz WUHDPXNLKXVNJI-HNNXBMFYSA-N 1 0 340.464 2.271 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000159466870 276163361 /nfs/dbraw/zinc/16/33/61/276163361.db2.gz AMOCYQRZBLGTPB-NSHDSACASA-N 1 0 344.381 2.088 10 70 EEIERO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)OC)C1 ZINC000159457873 311341487 /nfs/dbraw/zinc/34/14/87/311341487.db2.gz IXSXGJRIUSWNOC-HOTGVXAUSA-N 1 0 339.480 2.236 10 70 EEIERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000159674439 463298258 /nfs/dbraw/zinc/29/82/58/463298258.db2.gz PLURGLGDAHKIIG-DZGCQCFKSA-N 1 0 326.400 2.355 10 70 EEIERO COc1ccc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c(Cl)c1OC ZINC000159693649 463300347 /nfs/dbraw/zinc/30/03/47/463300347.db2.gz QHLOHROXXSHZPE-PWSUYJOCSA-N 1 0 326.824 2.443 10 70 EEIERO CC(C)([NH3+])CNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000160077194 527254905 /nfs/dbraw/zinc/25/49/05/527254905.db2.gz RVCAVTDBNBKIAM-FYMRZPMTSA-N 1 0 347.503 2.047 10 70 EEIERO CCc1ccc(C(=O)CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160006581 206274463 /nfs/dbraw/zinc/27/44/63/206274463.db2.gz SGCYFNWTFBGIIO-GOSISDBHSA-N 1 0 346.471 2.175 10 70 EEIERO CC[C@H](C)Oc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160360699 206293127 /nfs/dbraw/zinc/29/31/27/206293127.db2.gz ABKXUTADSXNCAD-RDJZCZTQSA-N 1 0 334.460 2.441 10 70 EEIERO CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160685821 206308191 /nfs/dbraw/zinc/30/81/91/206308191.db2.gz HJCDREYKCUMFLN-BEFAXECRSA-N 1 0 345.443 2.211 10 70 EEIERO CCC[C@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[NH+](C)C ZINC000161129726 206330318 /nfs/dbraw/zinc/33/03/18/206330318.db2.gz JRMQSDTYHIVMBW-OAHLLOKOSA-N 1 0 330.432 2.153 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000160594841 206305463 /nfs/dbraw/zinc/30/54/63/206305463.db2.gz CGPZZDTVFJEIQN-QGZVFWFLSA-N 1 0 344.459 2.066 10 70 EEIERO COc1ccc2c(c1)C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC000160525398 255798451 /nfs/dbraw/zinc/79/84/51/255798451.db2.gz WZHKMWYSIOUARE-IAGOWNOFSA-N 1 0 346.471 2.483 10 70 EEIERO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842935 311347182 /nfs/dbraw/zinc/34/71/82/311347182.db2.gz GGFYYEYCUSFINX-HUUCEWRRSA-N 1 0 329.448 2.469 10 70 EEIERO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C)Cn2cncn2)cc1)C(C)C ZINC000160462222 311354328 /nfs/dbraw/zinc/35/43/28/311354328.db2.gz FSJSDVDTXJWKJY-HNNXBMFYSA-N 1 0 329.448 2.327 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1ccccc1 ZINC000160570315 311356030 /nfs/dbraw/zinc/35/60/30/311356030.db2.gz KXOVOQRZLDQIEG-NVXWUHKLSA-N 1 0 331.460 2.042 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)NC(=O)c1cccs1 ZINC000160599631 311356525 /nfs/dbraw/zinc/35/65/25/311356525.db2.gz YOVQNTPNAXHCCS-ZIAGYGMSSA-N 1 0 337.489 2.103 10 70 EEIERO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160601653 463353770 /nfs/dbraw/zinc/35/37/70/463353770.db2.gz USRZXUSPDHFSRU-QZTJIDSGSA-N 1 0 335.492 2.461 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(Cc2csc(NC(C)=O)n2)C1 ZINC000161326594 463420634 /nfs/dbraw/zinc/42/06/34/463420634.db2.gz FLHKOSYVRBXYMZ-LBPRGKRZSA-N 1 0 334.449 2.093 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCC(C)CC2)C1 ZINC000161325689 463420870 /nfs/dbraw/zinc/42/08/70/463420870.db2.gz NIWZASXIVRSCAG-JKSUJKDBSA-N 1 0 333.480 2.124 10 70 EEIERO CC[NH+]1CCC(CCNC(=O)NCC(CC)(CC)C(=O)OC)CC1 ZINC000159881952 528963417 /nfs/dbraw/zinc/96/34/17/528963417.db2.gz SBOMOLCYCBWKPM-UHFFFAOYSA-N 1 0 341.496 2.387 10 70 EEIERO COCc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160587894 206305319 /nfs/dbraw/zinc/30/53/19/206305319.db2.gz BGWDFOHHCFRYQM-UYAOXDASSA-N 1 0 346.471 2.076 10 70 EEIERO COc1ccc([C@@H](C)CC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160652458 533091968 /nfs/dbraw/zinc/09/19/68/533091968.db2.gz FVXNNUFVEDIMHM-RDJZCZTQSA-N 1 0 334.460 2.152 10 70 EEIERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000161175736 311363473 /nfs/dbraw/zinc/36/34/73/311363473.db2.gz JZUGRFYALLTPFY-QGZVFWFLSA-N 1 0 331.460 2.285 10 70 EEIERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)c1 ZINC000159391348 463284347 /nfs/dbraw/zinc/28/43/47/463284347.db2.gz WJZANPJUIXXRKA-PBHICJAKSA-N 1 0 342.505 2.433 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cccc2)c(F)c1 ZINC000160365794 463331278 /nfs/dbraw/zinc/33/12/78/463331278.db2.gz LYSMOMCCGAJWPY-INIZCTEOSA-N 1 0 345.418 2.193 10 70 EEIERO CC(C)(C)c1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160454601 463339891 /nfs/dbraw/zinc/33/98/91/463339891.db2.gz XSIGGBBLFQEZQY-KRWDZBQOSA-N 1 0 348.487 2.326 10 70 EEIERO C[C@@H]1C[C@@H](NC(=O)c2cnc3c(c2)ncn3C)C[N@@H+]1Cc1ccccc1 ZINC000160795049 463371946 /nfs/dbraw/zinc/37/19/46/463371946.db2.gz NZKDHMVWHVSSHF-RHSMWYFYSA-N 1 0 349.438 2.361 10 70 EEIERO COC(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000159585377 284328803 /nfs/dbraw/zinc/32/88/03/284328803.db2.gz FDOVLYQOZBSRNE-WBVHZDCISA-N 1 0 347.459 2.102 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cc(F)cc(C(F)(F)F)c1 ZINC000160207914 206284349 /nfs/dbraw/zinc/28/43/49/206284349.db2.gz VBHMAVPSXAYVKC-AWEZNQCLSA-N 1 0 348.340 2.421 10 70 EEIERO COC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000159585634 277085338 /nfs/dbraw/zinc/08/53/38/277085338.db2.gz FDOVLYQOZBSRNE-NVXWUHKLSA-N 1 0 347.459 2.102 10 70 EEIERO CCC(CC)(C[NH2+]CC(=O)N1CCC(c2ccccc2)=N1)C(=O)OC ZINC000159675349 311344611 /nfs/dbraw/zinc/34/46/11/311344611.db2.gz MOMQMIJJNVQZST-UHFFFAOYSA-N 1 0 345.443 2.192 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC000160570467 311355882 /nfs/dbraw/zinc/35/58/82/311355882.db2.gz KXOVOQRZLDQIEG-DOTOQJQBSA-N 1 0 331.460 2.042 10 70 EEIERO COc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000161361968 311365267 /nfs/dbraw/zinc/36/52/67/311365267.db2.gz NUKPRVUDVOMKOP-UHFFFAOYSA-N 1 0 334.464 2.354 10 70 EEIERO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cnn(-c3ccccn3)c1C)CC2 ZINC000160356966 463330588 /nfs/dbraw/zinc/33/05/88/463330588.db2.gz ZQWLZADZTJEJII-DOMZBBRYSA-N 1 0 337.431 2.141 10 70 EEIERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160532360 463346865 /nfs/dbraw/zinc/34/68/65/463346865.db2.gz OOAPXPMOTUGFHO-ZFWWWQNUSA-N 1 0 328.416 2.255 10 70 EEIERO CCC(CC)CNC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000160550992 463349531 /nfs/dbraw/zinc/34/95/31/463349531.db2.gz KTGLXCDNHLPEGL-UHFFFAOYSA-N 1 0 347.507 2.411 10 70 EEIERO CC(=O)NC1CCC([NH2+]C2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000161030164 463392936 /nfs/dbraw/zinc/39/29/36/463392936.db2.gz LJAHKAFWMNWLKC-UHFFFAOYSA-N 1 0 330.476 2.396 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000161294275 463417115 /nfs/dbraw/zinc/41/71/15/463417115.db2.gz CSMVFFZJQXHPNP-JKSUJKDBSA-N 1 0 333.480 2.269 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccc(F)cc2F)C1 ZINC000161324860 463420488 /nfs/dbraw/zinc/42/04/88/463420488.db2.gz RPIIBWBPPXNKEF-GFCCVEGCSA-N 1 0 349.385 2.394 10 70 EEIERO CC(C)(C)c1ccccc1OCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160073033 526800611 /nfs/dbraw/zinc/80/06/11/526800611.db2.gz JASDFPDLPDQTGJ-INIZCTEOSA-N 1 0 348.487 2.326 10 70 EEIERO Cc1ccn(-c2ccccc2NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)n1 ZINC000160580669 539522446 /nfs/dbraw/zinc/52/24/46/539522446.db2.gz ICPWMDYLBAUZRZ-PBHICJAKSA-N 1 0 343.431 2.021 10 70 EEIERO CC(C)OC(=O)CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000159522808 206250445 /nfs/dbraw/zinc/25/04/45/206250445.db2.gz DUODQXYXMLGHJH-INIZCTEOSA-N 1 0 335.448 2.320 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159899234 206270489 /nfs/dbraw/zinc/27/04/89/206270489.db2.gz WBNKPYOXOQXQOH-LBPRGKRZSA-N 1 0 331.391 2.271 10 70 EEIERO Cc1nc2cc(F)ccc2cc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160149521 206282115 /nfs/dbraw/zinc/28/21/15/206282115.db2.gz OZTCCBICKQZJKZ-INIZCTEOSA-N 1 0 345.418 2.259 10 70 EEIERO C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160780433 206312281 /nfs/dbraw/zinc/31/22/81/206312281.db2.gz BBUIHFQXHPRTAB-SPYBWZPUSA-N 1 0 345.443 2.350 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cc2ccccc2[nH]c1=O ZINC000160495445 311354690 /nfs/dbraw/zinc/35/46/90/311354690.db2.gz TXBOFQOXTISFQY-OAHLLOKOSA-N 1 0 341.455 2.451 10 70 EEIERO CCC[C@@H](C(=O)N1CCN(c2ccccc2OCC)CC1)[NH+](C)C ZINC000161163785 311362752 /nfs/dbraw/zinc/36/27/52/311362752.db2.gz NNZBHEGFNDSXEA-KRWDZBQOSA-N 1 0 333.476 2.464 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)cnc21 ZINC000160354727 463330299 /nfs/dbraw/zinc/33/02/99/463330299.db2.gz QQLWHVXTBHQNAZ-OAHLLOKOSA-N 1 0 327.432 2.059 10 70 EEIERO CC(C)(C)c1ccc(OCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160454739 463339731 /nfs/dbraw/zinc/33/97/31/463339731.db2.gz XSIGGBBLFQEZQY-QGZVFWFLSA-N 1 0 348.487 2.326 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000161300322 463418711 /nfs/dbraw/zinc/41/87/11/463418711.db2.gz HYJHYPVONZXVAF-OWCLPIDISA-N 1 0 333.480 2.267 10 70 EEIERO COc1ccc(COCCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000161365063 463425547 /nfs/dbraw/zinc/42/55/47/463425547.db2.gz KCESDWVPSLZENC-SJPCQFCGSA-N 1 0 332.444 2.343 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000160232078 295676681 /nfs/dbraw/zinc/67/66/81/295676681.db2.gz AVCFEEPTTQDADI-MELADBBJSA-N 1 0 338.398 2.031 10 70 EEIERO CCC[C@H](C(=O)N1CCC(c2nnc3ccccn32)CC1)[NH+](C)C ZINC000161286888 539526078 /nfs/dbraw/zinc/52/60/78/539526078.db2.gz VKDRRFITGVJIBW-OAHLLOKOSA-N 1 0 329.448 2.166 10 70 EEIERO COc1ccccc1N1CC[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C1 ZINC000159599282 206254532 /nfs/dbraw/zinc/25/45/32/206254532.db2.gz LOTQEEAWMSRAKQ-INIZCTEOSA-N 1 0 348.491 2.256 10 70 EEIERO Cc1cccc(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1C ZINC000160021109 206275779 /nfs/dbraw/zinc/27/57/79/206275779.db2.gz MVYJSCUTICKXEH-KRWDZBQOSA-N 1 0 334.460 2.035 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C(F)(F)F)c1 ZINC000160461895 206298688 /nfs/dbraw/zinc/29/86/88/206298688.db2.gz QBKQRGNKSOSJET-AWEZNQCLSA-N 1 0 330.350 2.282 10 70 EEIERO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161322625 206341587 /nfs/dbraw/zinc/34/15/87/206341587.db2.gz FQVVAWFWRJJTAC-ZDUSSCGKSA-N 1 0 330.436 2.334 10 70 EEIERO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000161506407 206353055 /nfs/dbraw/zinc/35/30/55/206353055.db2.gz GEQAMAHINWXKJP-YOEHRIQHSA-N 1 0 348.468 2.021 10 70 EEIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC000159466093 463287647 /nfs/dbraw/zinc/28/76/47/463287647.db2.gz UBPXTVAMEIOACI-MRXNPFEDSA-N 1 0 333.480 2.200 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[NH+](C4CCCCC4)CC3)cnc21 ZINC000160869029 463378521 /nfs/dbraw/zinc/37/85/21/463378521.db2.gz WFOCLOXFVKTEEQ-UHFFFAOYSA-N 1 0 327.432 2.059 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000160929808 463383610 /nfs/dbraw/zinc/38/36/10/463383610.db2.gz NUYAQOWKGTYLHR-SUMWQHHRSA-N 1 0 339.443 2.057 10 70 EEIERO CCn1cnnc1[C@@H]1CCCN(CC(=O)Nc2ccccc2C)C1 ZINC000161323969 463421149 /nfs/dbraw/zinc/42/11/49/463421149.db2.gz HROZESKNMOTODV-OAHLLOKOSA-N 1 0 327.432 2.425 10 70 EEIERO [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2n[nH]cc2-c2ccc3c(c2)OCO3)C1 ZINC000161340415 463423135 /nfs/dbraw/zinc/42/31/35/463423135.db2.gz JZGXDSKGHOXMLQ-VXGBXAGGSA-N 1 0 328.372 2.261 10 70 EEIERO Cc1cnccc1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000159827521 206264592 /nfs/dbraw/zinc/26/45/92/206264592.db2.gz JLWFYQOASLSRKR-IBGZPJMESA-N 1 0 340.471 2.405 10 70 EEIERO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160501820 206300566 /nfs/dbraw/zinc/30/05/66/206300566.db2.gz UNWMMTRFJDOTSN-XHDPSFHLSA-N 1 0 343.431 2.219 10 70 EEIERO C[C@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[N@H+](C)C1CC1 ZINC000161310609 279341214 /nfs/dbraw/zinc/34/12/14/279341214.db2.gz RAEFHYQFHKKBSQ-NXEZZACHSA-N 1 0 344.381 2.132 10 70 EEIERO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161495998 311366582 /nfs/dbraw/zinc/36/65/82/311366582.db2.gz PTMIJGGINASSTJ-SFHVURJKSA-N 1 0 349.438 2.374 10 70 EEIERO Cc1ccc(N2CC[C@H]([NH+]3CCC(n4cncn4)CC3)C2=O)cc1 ZINC000159910535 463309961 /nfs/dbraw/zinc/30/99/61/463309961.db2.gz BAZQOKYWXBBXNZ-KRWDZBQOSA-N 1 0 325.416 2.029 10 70 EEIERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000160065110 463317123 /nfs/dbraw/zinc/31/71/23/463317123.db2.gz KDNOSTHGAGKQDR-ZWKOPEQDSA-N 1 0 327.222 2.003 10 70 EEIERO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cccc2)c(F)c1 ZINC000160365914 463332051 /nfs/dbraw/zinc/33/20/51/463332051.db2.gz LYSMOMCCGAJWPY-MRXNPFEDSA-N 1 0 345.418 2.193 10 70 EEIERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000160397862 463335300 /nfs/dbraw/zinc/33/53/00/463335300.db2.gz QQAARLDABIDAJI-DOTOQJQBSA-N 1 0 333.432 2.460 10 70 EEIERO C[C@@H]1CCC[N@H+](CCNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000160585170 463353040 /nfs/dbraw/zinc/35/30/40/463353040.db2.gz AIOWKMUZHJRVEI-CQSZACIVSA-N 1 0 347.434 2.414 10 70 EEIERO COC(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000159585511 284005969 /nfs/dbraw/zinc/00/59/69/284005969.db2.gz FDOVLYQOZBSRNE-DOTOQJQBSA-N 1 0 347.459 2.102 10 70 EEIERO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000159898874 206270583 /nfs/dbraw/zinc/27/05/83/206270583.db2.gz ZPLGMQFSAHTBQL-AWEZNQCLSA-N 1 0 332.448 2.384 10 70 EEIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)C1 ZINC000161326176 206342023 /nfs/dbraw/zinc/34/20/23/206342023.db2.gz FNQPMHUSOGGEAB-INIZCTEOSA-N 1 0 345.487 2.421 10 70 EEIERO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000159842826 311346820 /nfs/dbraw/zinc/34/68/20/311346820.db2.gz GGFYYEYCUSFINX-GJZGRUSLSA-N 1 0 329.448 2.469 10 70 EEIERO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000159698456 463299869 /nfs/dbraw/zinc/29/98/69/463299869.db2.gz VTABWDIDVKVGQI-HNNXBMFYSA-N 1 0 344.463 2.310 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000160528403 206302041 /nfs/dbraw/zinc/30/20/41/206302041.db2.gz QEGUDWHOKYFFSQ-WBVHZDCISA-N 1 0 330.428 2.005 10 70 EEIERO C[C@@H]1CCC[N@H+](CCNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159903419 143804251 /nfs/dbraw/zinc/80/42/51/143804251.db2.gz VGCXDFOKKUXZFS-GFCCVEGCSA-N 1 0 345.365 2.484 10 70 EEIERO COCc1cc(NCCCC[NH+]2CCOCC2)nc(C(C)(C)C)n1 ZINC000159733294 311345240 /nfs/dbraw/zinc/34/52/40/311345240.db2.gz USULYBLFWXSOPU-UHFFFAOYSA-N 1 0 336.480 2.445 10 70 EEIERO CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160129036 463320339 /nfs/dbraw/zinc/32/03/39/463320339.db2.gz XIBBPBZLSVKNDD-CABCVRRESA-N 1 0 348.495 2.095 10 70 EEIERO CC(=O)N/C(=C\c1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160570721 463351030 /nfs/dbraw/zinc/35/10/30/463351030.db2.gz OZPVSRFHTSEFCE-GEBKJHSDSA-N 1 0 343.471 2.400 10 70 EEIERO CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H]3CC[C@H]([NH3+])C3)ccc2NC1=O ZINC000161368225 463425802 /nfs/dbraw/zinc/42/58/02/463425802.db2.gz FWJPDUCCNKDJJS-QJZXMWHDSA-N 1 0 331.416 2.101 10 70 EEIERO CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160248951 529632153 /nfs/dbraw/zinc/63/21/53/529632153.db2.gz QNFVTDAFTRPZLF-ULQDDVLXSA-N 1 0 337.508 2.262 10 70 EEIERO O[C@@H](COCc1ccccc1)C[NH+]1CCN(c2cccs2)CC1 ZINC000160312800 225387723 /nfs/dbraw/zinc/38/77/23/225387723.db2.gz MEJBNNPKIDIMAN-QGZVFWFLSA-N 1 0 332.469 2.448 10 70 EEIERO Cc1cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)cc1F ZINC000160334797 273985097 /nfs/dbraw/zinc/98/50/97/273985097.db2.gz SORCGEQUKQMAPC-GFCCVEGCSA-N 1 0 328.815 2.364 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)c2cccc(-c3nc[nH]n3)c2)CC1 ZINC000159603323 311343543 /nfs/dbraw/zinc/34/35/43/311343543.db2.gz KMSKLDUOTDXLQU-UHFFFAOYSA-N 1 0 327.432 2.322 10 70 EEIERO Cc1cccc(-n2cc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)nn2)c1 ZINC000160252927 311351815 /nfs/dbraw/zinc/35/18/15/311351815.db2.gz WXKFQHYVKKMBEX-HNNXBMFYSA-N 1 0 327.432 2.180 10 70 EEIERO CCC[C@@H]1CN(C(=O)NCCc2ccsc2)CC[N@@H+]1CCOC ZINC000160362814 311353618 /nfs/dbraw/zinc/35/36/18/311353618.db2.gz UOWZACJAMPNMEK-MRXNPFEDSA-N 1 0 339.505 2.433 10 70 EEIERO COc1cccc([C@H](CNC(=O)[C@H](C)C2CCOCC2)[NH+](C)C)c1 ZINC000160373074 311353670 /nfs/dbraw/zinc/35/36/70/311353670.db2.gz VRDPNVVHLMTTPA-KDOFPFPSSA-N 1 0 334.460 2.477 10 70 EEIERO CNc1ncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000159370648 463283390 /nfs/dbraw/zinc/28/33/90/463283390.db2.gz BRUMAHHEFWVDLD-JSGCOSHPSA-N 1 0 330.457 2.435 10 70 EEIERO CN(CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1)Cc1ccc(F)cc1 ZINC000159634165 463296026 /nfs/dbraw/zinc/29/60/26/463296026.db2.gz ZDUFCWDIXFVCFZ-IBGZPJMESA-N 1 0 349.494 2.302 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2ccoc2)no1 ZINC000160376107 463333408 /nfs/dbraw/zinc/33/34/08/463333408.db2.gz CMZIIIOWCWARTP-OAHLLOKOSA-N 1 0 346.431 2.499 10 70 EEIERO CC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160570000 463350060 /nfs/dbraw/zinc/35/00/60/463350060.db2.gz IGYHIJYHIFEPFP-IBGZPJMESA-N 1 0 328.460 2.493 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cn1cncn1 ZINC000160577927 463351190 /nfs/dbraw/zinc/35/11/90/463351190.db2.gz OGTLSTLNJIUCCJ-QGZVFWFLSA-N 1 0 341.459 2.177 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000161200200 463408747 /nfs/dbraw/zinc/40/87/47/463408747.db2.gz TYLMEMNVHWYRMD-UHFFFAOYSA-N 1 0 337.508 2.439 10 70 EEIERO CC(C)N(CC[NH+](C)C)C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000159534972 528896505 /nfs/dbraw/zinc/89/65/05/528896505.db2.gz WOGQOOWYPMFDGO-UHFFFAOYSA-N 1 0 330.432 2.010 10 70 EEIERO Cn1cnc2cc(C(=O)NC3CC[NH+](C4CCCC4)CC3)cnc21 ZINC000160717590 282781351 /nfs/dbraw/zinc/78/13/51/282781351.db2.gz ITIZZDDDKGZULC-UHFFFAOYSA-N 1 0 327.432 2.105 10 70 EEIERO Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160031149 533636260 /nfs/dbraw/zinc/63/62/60/533636260.db2.gz MRBHMJFBAVOLSO-KRWDZBQOSA-N 1 0 348.487 2.460 10 70 EEIERO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)nn1-c1ccc(F)cc1F ZINC000160352058 273985435 /nfs/dbraw/zinc/98/54/35/273985435.db2.gz MRIFOXSIHNWIKA-UHFFFAOYSA-N 1 0 334.370 2.283 10 70 EEIERO COC[C@H](C)C[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000160668738 311357443 /nfs/dbraw/zinc/35/74/43/311357443.db2.gz LBSGAAOBHWUYQL-MFKMUULPSA-N 1 0 329.238 2.190 10 70 EEIERO C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000161485650 311366706 /nfs/dbraw/zinc/36/67/06/311366706.db2.gz KXROSZNYEWYQJK-UNEWFSDZSA-N 1 0 334.485 2.274 10 70 EEIERO CCC[C@@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[NH+](C)C ZINC000160028027 463316088 /nfs/dbraw/zinc/31/60/88/463316088.db2.gz UHHYNWHOTIAWIG-OALUTQOASA-N 1 0 347.503 2.215 10 70 EEIERO CC1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000160405713 463335971 /nfs/dbraw/zinc/33/59/71/463335971.db2.gz WLVKLXQFZHYLGL-CALCHBBNSA-N 1 0 328.460 2.284 10 70 EEIERO C[C@H](Oc1ccccc1Cl)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160421662 463336767 /nfs/dbraw/zinc/33/67/67/463336767.db2.gz JSSXEIAYPADOFP-KBPBESRZSA-N 1 0 340.851 2.070 10 70 EEIERO Cc1cncc(/C=C/C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000160475823 463341529 /nfs/dbraw/zinc/34/15/29/463341529.db2.gz QERXVXRRRKMVFC-YCZSJOHXSA-N 1 0 331.460 2.407 10 70 EEIERO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)NCc1cc(F)cc(F)c1 ZINC000160713189 463364536 /nfs/dbraw/zinc/36/45/36/463364536.db2.gz ZVRGTSODDIHPDK-KDOFPFPSSA-N 1 0 338.398 2.208 10 70 EEIERO CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000161090777 463398321 /nfs/dbraw/zinc/39/83/21/463398321.db2.gz KRFPDEVQVHYTOL-OAHLLOKOSA-N 1 0 337.468 2.258 10 70 EEIERO Cc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(O)c1 ZINC000159578056 539516691 /nfs/dbraw/zinc/51/66/91/539516691.db2.gz MCMZTHJCWAMSJM-INIZCTEOSA-N 1 0 332.444 2.418 10 70 EEIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 ZINC000161301217 159722027 /nfs/dbraw/zinc/72/20/27/159722027.db2.gz FGGUFRNSAGJEHX-SJORKVTESA-N 1 0 349.519 2.262 10 70 EEIERO O=C(Cc1cc(Cl)ccc1Cl)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160417706 273985765 /nfs/dbraw/zinc/98/57/65/273985765.db2.gz SXFGGIRAHPYFIE-AWEZNQCLSA-N 1 0 345.270 2.499 10 70 EEIERO CCC[C@@H](C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[NH+](C)C ZINC000160028244 276268955 /nfs/dbraw/zinc/26/89/55/276268955.db2.gz UHHYNWHOTIAWIG-RBUKOAKNSA-N 1 0 347.503 2.215 10 70 EEIERO CNC(=O)c1cccc(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000160754787 311358279 /nfs/dbraw/zinc/35/82/79/311358279.db2.gz QSGIXKXHZBYYON-HZPDHXFCSA-N 1 0 345.487 2.215 10 70 EEIERO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000161226572 311363851 /nfs/dbraw/zinc/36/38/51/311363851.db2.gz HSVZDHGTYFWKEO-BBWFWOEESA-N 1 0 339.524 2.364 10 70 EEIERO Cn1cc([C@H]2CC[N@H+](CC3CCN(C(=O)C(C)(C)C)CC3)C2)cn1 ZINC000159719645 463301662 /nfs/dbraw/zinc/30/16/62/463301662.db2.gz OSCQBVQWGNERQL-INIZCTEOSA-N 1 0 332.492 2.494 10 70 EEIERO Cc1cc(C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000161264145 463414477 /nfs/dbraw/zinc/41/44/77/463414477.db2.gz DCZXKDNRZYULDN-KSSFIOAISA-N 1 0 326.444 2.430 10 70 EEIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(OCC(F)(F)F)c2)C1 ZINC000161326697 463420414 /nfs/dbraw/zinc/42/04/14/463420414.db2.gz ZGQGWICBZDXFEY-NSHDSACASA-N 1 0 331.338 2.094 10 70 EEIERO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c12 ZINC000160386207 539520988 /nfs/dbraw/zinc/52/09/88/539520988.db2.gz CREPOPJOWFWPFC-OAHLLOKOSA-N 1 0 343.475 2.435 10 70 EEIERO Cc1cccc(CSCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160034122 237231068 /nfs/dbraw/zinc/23/10/68/237231068.db2.gz CIEJNJPVLOSZLF-KRWDZBQOSA-N 1 0 336.501 2.191 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[C@H](O)C(C)C ZINC000160248238 311351598 /nfs/dbraw/zinc/35/15/98/311351598.db2.gz ONNNWOUXMHHZLG-HZPDHXFCSA-N 1 0 327.513 2.449 10 70 EEIERO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000159870980 463309184 /nfs/dbraw/zinc/30/91/84/463309184.db2.gz LTSCNSRBDZTBLK-HNNXBMFYSA-N 1 0 348.491 2.163 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1SCCc2sccc21 ZINC000160506365 463343856 /nfs/dbraw/zinc/34/38/56/463343856.db2.gz DEHUBQVJQCFZIB-SWLSCSKDSA-N 1 0 340.514 2.042 10 70 EEIERO C[C@H](CNC(=O)c1cc(S(C)(=O)=O)cs1)C[NH+]1CCCCC1 ZINC000161388245 463427664 /nfs/dbraw/zinc/42/76/64/463427664.db2.gz FXNZSFPITNJMGL-GFCCVEGCSA-N 1 0 344.502 2.003 10 70 EEIERO CCC[NH+]1CCC(NCc2ccc(N3CC[NH+](CC)CC3)nc2)CC1 ZINC000159460581 539515985 /nfs/dbraw/zinc/51/59/85/539515985.db2.gz VELUWIAQRPKDTD-UHFFFAOYSA-N 1 0 345.535 2.188 10 70 EEIERO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC([NH+]2CCCC2)CC1 ZINC000160954882 295824829 /nfs/dbraw/zinc/82/48/29/295824829.db2.gz UTHKIAMMJOTOKE-BBWFWOEESA-N 1 0 333.476 2.214 10 70 EEIERO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(OC)c1 ZINC000160375484 159710172 /nfs/dbraw/zinc/71/01/72/159710172.db2.gz VHRPBIMEGUZVRW-GOSISDBHSA-N 1 0 333.476 2.289 10 70 EEIERO COCC[NH+](CCOC)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159707517 225263160 /nfs/dbraw/zinc/26/31/60/225263160.db2.gz JVTNDTWHSBXJKS-OAHLLOKOSA-N 1 0 326.824 2.428 10 70 EEIERO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1nn2c(nccc2=O)s1 ZINC000160245201 225368833 /nfs/dbraw/zinc/36/88/33/225368833.db2.gz OMPOEMQKIXIQFH-JSGCOSHPSA-N 1 0 341.440 2.083 10 70 EEIERO Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160115420 225342054 /nfs/dbraw/zinc/34/20/54/225342054.db2.gz AORRERCXCCVYSR-HNNXBMFYSA-N 1 0 343.427 2.227 10 70 EEIERO Cc1onc(-c2ccccc2)c1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160170672 225352819 /nfs/dbraw/zinc/35/28/19/225352819.db2.gz XNUDCEXKWIAQRT-INIZCTEOSA-N 1 0 343.427 2.227 10 70 EEIERO C[C@H]1CCC[N@H+](CCNC(=O)c2cccc(OCC(F)(F)F)n2)C1 ZINC000159903578 463310283 /nfs/dbraw/zinc/31/02/83/463310283.db2.gz VGCXDFOKKUXZFS-LBPRGKRZSA-N 1 0 345.365 2.484 10 70 EEIERO CO[C@H]1C[NH2+][C@@H](C(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000160058880 463317761 /nfs/dbraw/zinc/31/77/61/463317761.db2.gz KDNOSTHGAGKQDR-OASPWFOLSA-N 1 0 327.222 2.003 10 70 EEIERO C[C@H](CCc1cccc(F)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160414059 463336190 /nfs/dbraw/zinc/33/61/90/463336190.db2.gz ORPSZGZHCANJEH-QAPCUYQASA-N 1 0 336.451 2.357 10 70 EEIERO C[C@H]1CCc2c(C(=O)NC[C@H](O)C[NH+]3CCCCC3)csc2C1 ZINC000160496561 463343727 /nfs/dbraw/zinc/34/37/27/463343727.db2.gz XOPWQXOHGOKLOE-KBPBESRZSA-N 1 0 336.501 2.450 10 70 EEIERO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](O)c2cc(Cl)cc(Cl)c2)C1 ZINC000160696751 463363356 /nfs/dbraw/zinc/36/33/56/463363356.db2.gz CWVNTHIDSCRMDU-QMTHXVAHSA-N 1 0 331.243 2.485 10 70 EEIERO C[NH+](C)[C@H](CNC(=O)c1cc(N2CCCC2=O)ccc1F)C1CC1 ZINC000161153794 463405294 /nfs/dbraw/zinc/40/52/94/463405294.db2.gz NSWKYAMYJRVEOU-MRXNPFEDSA-N 1 0 333.407 2.023 10 70 EEIERO COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000161180654 463407991 /nfs/dbraw/zinc/40/79/91/463407991.db2.gz WWYFRJMZBIVNBY-XLIONFOSSA-N 1 0 346.471 2.281 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000161300401 463418634 /nfs/dbraw/zinc/41/86/34/463418634.db2.gz HYJHYPVONZXVAF-XHSDSOJGSA-N 1 0 333.480 2.267 10 70 EEIERO CCn1cnnc1[C@H]1CCCN(CC(=O)Nc2ccc(C)cc2)C1 ZINC000161324385 463421036 /nfs/dbraw/zinc/42/10/36/463421036.db2.gz QVRJFGSJYWQPPW-HNNXBMFYSA-N 1 0 327.432 2.425 10 70 EEIERO CCC[C@@H](C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)[NH+](C)C ZINC000161456474 463432533 /nfs/dbraw/zinc/43/25/33/463432533.db2.gz BIJBLKYVQQQLCM-HNNXBMFYSA-N 1 0 331.416 2.004 10 70 EEIERO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)Cc1cnccn1 ZINC000159920643 225303808 /nfs/dbraw/zinc/30/38/08/225303808.db2.gz BIXVNPDFLCOQBF-QAPCUYQASA-N 1 0 339.443 2.139 10 70 EEIERO COCCN(C)CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000159388185 463283377 /nfs/dbraw/zinc/28/33/77/463283377.db2.gz ZTZHJUDQZLJZHH-ZDUSSCGKSA-N 1 0 337.855 2.150 10 70 EEIERO O=C(CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)NC(=O)Nc1ccccc1 ZINC000160878427 463379850 /nfs/dbraw/zinc/37/98/50/463379850.db2.gz OGKMJAOBYBDTSX-DNVCBOLYSA-N 1 0 345.443 2.352 10 70 EEIERO Cn1cnc2cc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cnc21 ZINC000160929552 463384093 /nfs/dbraw/zinc/38/40/93/463384093.db2.gz NUYAQOWKGTYLHR-CXAGYDPISA-N 1 0 339.443 2.057 10 70 EEIERO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(N2CCCC2=O)ccc1F ZINC000159368458 539516164 /nfs/dbraw/zinc/51/61/64/539516164.db2.gz GEUHKULFWNITKM-UHFFFAOYSA-N 1 0 345.418 2.309 10 70 EEIERO Cc1ccn(-c2ccccc2NC(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)n1 ZINC000160580541 539522190 /nfs/dbraw/zinc/52/21/90/539522190.db2.gz ICPWMDYLBAUZRZ-YOEHRIQHSA-N 1 0 343.431 2.021 10 70 EEIERO Cc1cc(-c2cc(C(=O)NCCC[NH3+])c3c(C)noc3n2)c(C)o1 ZINC000160091832 225335167 /nfs/dbraw/zinc/33/51/67/225335167.db2.gz BXRTXEOUZMNSMS-UHFFFAOYSA-N 1 0 328.372 2.487 10 70 EEIERO CN(C(=O)CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161431076 225627778 /nfs/dbraw/zinc/62/77/78/225627778.db2.gz IJGRPRSQFQCGHY-XYPWUTKMSA-N 1 0 330.428 2.132 10 70 EEIERO COc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(Br)c1 ZINC000159994401 311348949 /nfs/dbraw/zinc/34/89/49/311348949.db2.gz KOVQXHZCHFSMDY-PHIMTYICSA-N 1 0 339.233 2.424 10 70 EEIERO COc1cccc([C@H](CNC(=O)[C@@H](C)C2CCOCC2)[NH+](C)C)c1 ZINC000160372947 311353633 /nfs/dbraw/zinc/35/36/33/311353633.db2.gz VRDPNVVHLMTTPA-KSSFIOAISA-N 1 0 334.460 2.477 10 70 EEIERO COC(=O)c1[nH]c(C)c(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000160471770 463341764 /nfs/dbraw/zinc/34/17/64/463341764.db2.gz KKYYAHUWMKMKTD-UHFFFAOYSA-N 1 0 347.459 2.366 10 70 EEIERO COc1ccccc1/C(C)=C/C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160488882 463343207 /nfs/dbraw/zinc/34/32/07/463343207.db2.gz KIIUFJOZDKFCBV-STTHAQSSSA-N 1 0 332.444 2.062 10 70 EEIERO O=C(Cc1ccc2c(c1)CCCC2)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160554097 463349767 /nfs/dbraw/zinc/34/97/67/463349767.db2.gz BZYUSEBEOQBIMZ-IBGZPJMESA-N 1 0 330.472 2.071 10 70 EEIERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000160844504 463375793 /nfs/dbraw/zinc/37/57/93/463375793.db2.gz OPZZLGBABNAIEW-QWRGUYRKSA-N 1 0 333.358 2.296 10 70 EEIERO O=C(CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccc2c(c1)OCO2 ZINC000161155833 539524646 /nfs/dbraw/zinc/52/46/46/539524646.db2.gz SBXWAZJBBFHOQL-KUHUBIRLSA-N 1 0 346.427 2.371 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000160471700 255797422 /nfs/dbraw/zinc/79/74/22/255797422.db2.gz RZJVAIBKISYJMF-QGZVFWFLSA-N 1 0 345.443 2.493 10 70 EEIERO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000160004179 463314716 /nfs/dbraw/zinc/31/47/16/463314716.db2.gz UWFQFGRTURVNGT-ZDUSSCGKSA-N 1 0 348.472 2.187 10 70 EEIERO CC1CCC([NH+]2CCN(C(=O)c3cnc4c(c3)ncn4C)CC2)CC1 ZINC000160526848 463346658 /nfs/dbraw/zinc/34/66/58/463346658.db2.gz VMBJYADCKMUHBC-UHFFFAOYSA-N 1 0 341.459 2.305 10 70 EEIERO CC1CC[NH+](CCNC(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000160550783 463349400 /nfs/dbraw/zinc/34/94/00/463349400.db2.gz FKSLVJVGSJWTEU-UHFFFAOYSA-N 1 0 347.434 2.414 10 70 EEIERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000160548942 463349736 /nfs/dbraw/zinc/34/97/36/463349736.db2.gz MPAACMJOOFFTBQ-WHOFXGATSA-N 1 0 329.437 2.431 10 70 EEIERO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000161319944 463419837 /nfs/dbraw/zinc/41/98/37/463419837.db2.gz PLWFPCOHCNYMSN-ZDUSSCGKSA-N 1 0 333.407 2.024 10 70 EEIERO CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C ZINC000161363411 463425414 /nfs/dbraw/zinc/42/54/14/463425414.db2.gz PYVYEHXAGAAMGI-SMDDNHRTSA-N 1 0 335.448 2.267 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)C1Cc2ccccc2C1 ZINC000160309667 539521476 /nfs/dbraw/zinc/52/14/76/539521476.db2.gz AGHZYXPFDCLNJW-QGZVFWFLSA-N 1 0 336.501 2.194 10 70 EEIERO O=C1CCCN1CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000159514738 225231243 /nfs/dbraw/zinc/23/12/43/225231243.db2.gz URDRTZTZUWAWKD-UHFFFAOYSA-N 1 0 347.478 2.435 10 70 EEIERO CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3CCOCC3)cn2)CC1 ZINC000159541206 463290939 /nfs/dbraw/zinc/29/09/39/463290939.db2.gz HDWIRTVSQRQCTM-MRXNPFEDSA-N 1 0 332.492 2.128 10 70 EEIERO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1NC(C)=O ZINC000160502051 463344788 /nfs/dbraw/zinc/34/47/88/463344788.db2.gz UNWMMTRFJDOTSN-IAQYHMDHSA-N 1 0 343.431 2.219 10 70 EEIERO CC(=O)N[C@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C)cc1 ZINC000161459890 463432541 /nfs/dbraw/zinc/43/25/41/463432541.db2.gz IQWUKYNVFVCOHI-ZZJWQFMZSA-N 1 0 343.471 2.304 10 70 EEIERO CC[N@H+](CCNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)C1CC1 ZINC000159391488 528502680 /nfs/dbraw/zinc/50/26/80/528502680.db2.gz NJVVJIGBQPLINT-JTQLQIEISA-N 1 0 344.381 2.134 10 70 EEIERO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)CC1 ZINC000159973884 529029556 /nfs/dbraw/zinc/02/95/56/529029556.db2.gz KBSLCVAVJRUGIC-MRXNPFEDSA-N 1 0 346.475 2.011 10 70 EEIERO Cc1ccc(C(N)=O)cc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000159699627 143801257 /nfs/dbraw/zinc/80/12/57/143801257.db2.gz UZXWWJOAPFYEDS-UHFFFAOYSA-N 1 0 332.448 2.336 10 70 EEIERO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000161495900 311366653 /nfs/dbraw/zinc/36/66/53/311366653.db2.gz PTMIJGGINASSTJ-GOSISDBHSA-N 1 0 349.438 2.374 10 70 EEIERO COc1ccc(C(C)(C)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OC ZINC000159927281 463309868 /nfs/dbraw/zinc/30/98/68/463309868.db2.gz KHUMFXFNRFLAAQ-GASCZTMLSA-N 1 0 332.444 2.334 10 70 EEIERO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c2cnn(C(C)C)c2n1 ZINC000159935794 463311814 /nfs/dbraw/zinc/31/18/14/463311814.db2.gz YJJBBDXSUDJKMA-OKILXGFUSA-N 1 0 327.432 2.287 10 70 EEIERO CC[NH+](CC)[C@@H](C)CNC(=O)CCN1c2ccccc2CCC1=O ZINC000160068187 463317657 /nfs/dbraw/zinc/31/76/57/463317657.db2.gz YACOVOYPXQEJRA-HNNXBMFYSA-N 1 0 331.460 2.202 10 70 EEIERO CCN(C(=O)NCC1(C)COC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160188462 463322182 /nfs/dbraw/zinc/32/21/82/463322182.db2.gz JUEDDLONQRYFMR-QGZVFWFLSA-N 1 0 331.460 2.329 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000160406660 463335564 /nfs/dbraw/zinc/33/55/64/463335564.db2.gz WHRXDGVEXSLTJV-ZDUSSCGKSA-N 1 0 346.349 2.162 10 70 EEIERO COCC[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160433218 463339077 /nfs/dbraw/zinc/33/90/77/463339077.db2.gz YAELMHJHWCVDDO-HIFRSBDPSA-N 1 0 326.387 2.153 10 70 EEIERO COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160588001 463352378 /nfs/dbraw/zinc/35/23/78/463352378.db2.gz BGWDFOHHCFRYQM-QUCCMNQESA-N 1 0 346.471 2.076 10 70 EEIERO C[C@H]1CCC[N@H+](CCNC(=O)c2cc(N3CCCC3=O)ccc2F)C1 ZINC000160585264 463352436 /nfs/dbraw/zinc/35/24/36/463352436.db2.gz AIOWKMUZHJRVEI-AWEZNQCLSA-N 1 0 347.434 2.414 10 70 EEIERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160644068 463358511 /nfs/dbraw/zinc/35/85/11/463358511.db2.gz PUFAVGXPPMTCNV-INIZCTEOSA-N 1 0 342.447 2.430 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccc(C(N)=O)cc2F)CC1 ZINC000160669148 463360035 /nfs/dbraw/zinc/36/00/35/463360035.db2.gz DBXXXOWHKNXFDJ-UHFFFAOYSA-N 1 0 336.411 2.167 10 70 EEIERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000160934919 463383651 /nfs/dbraw/zinc/38/36/51/463383651.db2.gz JJJIZADAACOKRB-NJZAAPMLSA-N 1 0 337.851 2.325 10 70 EEIERO CCC[NH+]1CCC(CNC(=O)c2csc(S(C)(=O)=O)c2)CC1 ZINC000160437323 528188549 /nfs/dbraw/zinc/18/85/49/528188549.db2.gz IWQMEGMXSSENOH-UHFFFAOYSA-N 1 0 344.502 2.003 10 70 EEIERO Cc1sc(-c2ccco2)nc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000159973279 237225842 /nfs/dbraw/zinc/22/58/42/237225842.db2.gz ZMKOOAHBIXEOCQ-ZDUSSCGKSA-N 1 0 349.456 2.288 10 70 EEIERO O=C1[C@H]([NH2+]C2CCC3(CC2)OCCO3)CCCN1c1ccccc1 ZINC000161487991 285002453 /nfs/dbraw/zinc/00/24/53/285002453.db2.gz GIIJRQPMSWMSBX-QGZVFWFLSA-N 1 0 330.428 2.457 10 70 EEIERO O=C(CSc1ccc(F)c(F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160278938 225377727 /nfs/dbraw/zinc/37/77/27/225377727.db2.gz PDRNVUMVUCQGGU-LBPRGKRZSA-N 1 0 344.427 2.020 10 70 EEIERO C[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000160139292 225346868 /nfs/dbraw/zinc/34/68/68/225346868.db2.gz JESQNNGXDFYEMO-RYUDHWBXSA-N 1 0 330.881 2.468 10 70 EEIERO C[NH+](C)CC1CCC(NC(=O)Nc2ccn(CC(F)F)n2)CC1 ZINC000160797859 225479409 /nfs/dbraw/zinc/47/94/09/225479409.db2.gz PDEYLNBUJDMZKW-UHFFFAOYSA-N 1 0 329.395 2.390 10 70 EEIERO C[C@@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccsc1 ZINC000159385828 311340978 /nfs/dbraw/zinc/34/09/78/311340978.db2.gz MUGPOGKLQDPHFN-NVXWUHKLSA-N 1 0 335.517 2.480 10 70 EEIERO C[C@H]1C[C@@H](NC(=O)N2CCN(C3CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000160036228 311349270 /nfs/dbraw/zinc/34/92/70/311349270.db2.gz ZFNHUBFZDBAHML-FUHWJXTLSA-N 1 0 342.487 2.139 10 70 EEIERO CCC[C@@H](C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[NH+](C)C ZINC000161497755 311366469 /nfs/dbraw/zinc/36/64/69/311366469.db2.gz PJDARBNECKUEHZ-JKSUJKDBSA-N 1 0 333.432 2.473 10 70 EEIERO Cc1ccc(C[C@H](C)N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000159635927 463296339 /nfs/dbraw/zinc/29/63/39/463296339.db2.gz LJRSCNFMWVUQBH-HNNXBMFYSA-N 1 0 341.459 2.214 10 70 EEIERO C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)NCCC[NH3+] ZINC000160105701 463318274 /nfs/dbraw/zinc/31/82/74/463318274.db2.gz AOOHGQHQKAHICW-HYVNUMGLSA-N 1 0 343.471 2.236 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)Cc1c(F)cccc1F ZINC000160656492 463360112 /nfs/dbraw/zinc/36/01/12/463360112.db2.gz AKEWHNXBJKZTMY-GFCCVEGCSA-N 1 0 332.416 2.259 10 70 EEIERO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 ZINC000161301090 463418206 /nfs/dbraw/zinc/41/82/06/463418206.db2.gz FGGUFRNSAGJEHX-IAGOWNOFSA-N 1 0 349.519 2.262 10 70 EEIERO CC(C)C[C@H](C)[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000159739512 528475855 /nfs/dbraw/zinc/47/58/55/528475855.db2.gz JXSPKEOAXRXDSN-HNNXBMFYSA-N 1 0 340.489 2.232 10 70 EEIERO CCC[C@@H](C(=O)N1CCN(Cc2ccc(Cl)nc2)CC1)[NH+](C)C ZINC000160272775 528840205 /nfs/dbraw/zinc/84/02/05/528840205.db2.gz PQUIQQPQVMXNJQ-HNNXBMFYSA-N 1 0 338.883 2.110 10 70 EEIERO COC[C@@H](O)C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160328634 225388256 /nfs/dbraw/zinc/38/82/56/225388256.db2.gz GCIIFJKDMUMXEL-NSHDSACASA-N 1 0 325.206 2.094 10 70 EEIERO COC(=O)c1csc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000160704975 311357951 /nfs/dbraw/zinc/35/79/51/311357951.db2.gz SKSJJDRBTVDQFW-JQWIXIFHSA-N 1 0 325.434 2.385 10 70 EEIERO CC(C)c1noc(CCCNC(=O)NC[C@@H](C)C[NH+]2CCCC2)n1 ZINC000161189753 311363174 /nfs/dbraw/zinc/36/31/74/311363174.db2.gz GXQJZVRNEJEJFA-CQSZACIVSA-N 1 0 337.468 2.157 10 70 EEIERO Cc1ccc(C[C@@H](C)N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000159635802 463296447 /nfs/dbraw/zinc/29/64/47/463296447.db2.gz LJRSCNFMWVUQBH-OAHLLOKOSA-N 1 0 341.459 2.214 10 70 EEIERO CC(C)[N@H+](CCc1nccs1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000159900755 463309931 /nfs/dbraw/zinc/30/99/31/463309931.db2.gz RLEFMMZIGRLCLA-CQSZACIVSA-N 1 0 345.534 2.068 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc(-c2ccco2)no1 ZINC000160584970 463352120 /nfs/dbraw/zinc/35/21/20/463352120.db2.gz FSLAWAXVZWPREE-CQSZACIVSA-N 1 0 346.431 2.499 10 70 EEIERO COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160585758 463353131 /nfs/dbraw/zinc/35/31/31/463353131.db2.gz RXPYIMBGSCCGAO-QUCCMNQESA-N 1 0 346.471 2.076 10 70 EEIERO Cc1[nH]c2ccc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000160700949 463363529 /nfs/dbraw/zinc/36/35/29/463363529.db2.gz QVJRQCIDAOTEQX-INIZCTEOSA-N 1 0 329.444 2.361 10 70 EEIERO CC[C@@](C)(O)C[NH+]1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000160713150 463364268 /nfs/dbraw/zinc/36/42/68/463364268.db2.gz FHTFHMBOOFHVOJ-QGZVFWFLSA-N 1 0 336.867 2.266 10 70 EEIERO C[C@]1(CNc2ccc(C(N)=O)nn2)CCC[N@@H+]1Cc1ccccc1 ZINC000160796399 463371138 /nfs/dbraw/zinc/37/11/38/463371138.db2.gz HSCCXFDKJDNSBQ-GOSISDBHSA-N 1 0 325.416 2.042 10 70 EEIERO Cc1cc(C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[nH]n1 ZINC000161264032 463414824 /nfs/dbraw/zinc/41/48/24/463414824.db2.gz DCZXKDNRZYULDN-KDOFPFPSSA-N 1 0 326.444 2.430 10 70 EEIERO CC(=O)N[C@@H](CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C)cc1 ZINC000161459988 526831105 /nfs/dbraw/zinc/83/11/05/526831105.db2.gz IQWUKYNVFVCOHI-SWDXFRIISA-N 1 0 343.471 2.304 10 70 EEIERO C[N@@H+](CC(=O)Nc1ccnn1CC1CCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000159544283 311342912 /nfs/dbraw/zinc/34/29/12/311342912.db2.gz LTDRTUDLAJPCAL-IRXDYDNUSA-N 1 0 348.491 2.495 10 70 EEIERO O=C(CCCc1nc(-c2cccs2)no1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160015902 463313885 /nfs/dbraw/zinc/31/38/85/463313885.db2.gz MCYHKCSTXKARER-BETUJISGSA-N 1 0 346.456 2.474 10 70 EEIERO CC[NH+](CC)[C@H](C)CNC(=O)CCN1c2ccccc2CCC1=O ZINC000160068303 463317669 /nfs/dbraw/zinc/31/76/69/463317669.db2.gz YACOVOYPXQEJRA-OAHLLOKOSA-N 1 0 331.460 2.202 10 70 EEIERO C[C@@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)C[N@@H+]1Cc1ccccc1 ZINC000160794783 463372050 /nfs/dbraw/zinc/37/20/50/463372050.db2.gz NZKDHMVWHVSSHF-PBHICJAKSA-N 1 0 349.438 2.361 10 70 EEIERO CCC(CC)(C[NH3+])C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000161205001 463410101 /nfs/dbraw/zinc/41/01/01/463410101.db2.gz LQRCYRAWSABMDK-AWEZNQCLSA-N 1 0 325.497 2.151 10 70 EEIERO CC(C)N(C[C@H](C)O)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161255550 463414107 /nfs/dbraw/zinc/41/41/07/463414107.db2.gz NGUAWQBUJRYHEQ-HOTGVXAUSA-N 1 0 348.491 2.408 10 70 EEIERO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc3[nH]ccc3c2)C1 ZINC000160030009 528017128 /nfs/dbraw/zinc/01/71/28/528017128.db2.gz VWACNLAGQXXYDP-QGZVFWFLSA-N 1 0 345.443 2.020 10 70 EEIERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000161175625 311363107 /nfs/dbraw/zinc/36/31/07/311363107.db2.gz JZUGRFYALLTPFY-KRWDZBQOSA-N 1 0 331.460 2.285 10 70 EEIERO C[NH+](C)CCOc1ccccc1C(=O)NCCc1cccc(O)c1 ZINC000160198282 463322717 /nfs/dbraw/zinc/32/27/17/463322717.db2.gz BXLTWVSECLTHNB-UHFFFAOYSA-N 1 0 328.412 2.305 10 70 EEIERO C[N@H+](CCN1CCN(Cc2cccnc2)CC1)Cc1ccc(F)cc1 ZINC000161164354 463405124 /nfs/dbraw/zinc/40/51/24/463405124.db2.gz YAKBHLZVIGNJIY-UHFFFAOYSA-N 1 0 342.462 2.470 10 70 EEIERO O=C(NCC[NH+]1CCCCC1)c1cccc(OCC(F)(F)F)n1 ZINC000159891860 534330586 /nfs/dbraw/zinc/33/05/86/534330586.db2.gz OZDGZXQQHOCPPV-UHFFFAOYSA-N 1 0 331.338 2.238 10 70 EEIERO Cc1ccc2[nH]cc(CCC(=O)NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000160012701 534374063 /nfs/dbraw/zinc/37/40/63/534374063.db2.gz SHNZAZAWFHMWPK-KRWDZBQOSA-N 1 0 343.471 2.372 10 70 EEIERO Cn1cnc2cc(C(=O)N3C[C@@H]([NH+](C)C)Cc4ccccc43)cnc21 ZINC000160448053 282272980 /nfs/dbraw/zinc/27/29/80/282272980.db2.gz LUXUHNWLDNYYLD-HNNXBMFYSA-N 1 0 335.411 2.101 10 70 EEIERO C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCC1=O ZINC000159467050 533690477 /nfs/dbraw/zinc/69/04/77/533690477.db2.gz POIYGJWLGRWVNO-GFCCVEGCSA-N 1 0 338.839 2.054 10 70 EEIERO Cc1sc(=O)n(CCC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1C ZINC000160439303 311354324 /nfs/dbraw/zinc/35/43/24/311354324.db2.gz UQPIOZFSRAKQCE-OAHLLOKOSA-N 1 0 339.505 2.153 10 70 EEIERO CC[C@@H](C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)[NH+](C)C ZINC000159508951 463290242 /nfs/dbraw/zinc/29/02/42/463290242.db2.gz HBTHDANLZFZJAP-NSHDSACASA-N 1 0 332.370 2.475 10 70 EEIERO CC(C)NC(=O)c1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000160494614 463343931 /nfs/dbraw/zinc/34/39/31/463343931.db2.gz RLBRTZNJQHNOQG-OAHLLOKOSA-N 1 0 331.460 2.429 10 70 EEIERO C[C@H]1C[C@H](NC(=O)c2cnc3c(c2)ncn3C)C[N@@H+]1Cc1ccccc1 ZINC000160794917 463371670 /nfs/dbraw/zinc/37/16/70/463371670.db2.gz NZKDHMVWHVSSHF-YOEHRIQHSA-N 1 0 349.438 2.361 10 70 EEIERO C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000161468181 463432405 /nfs/dbraw/zinc/43/24/05/463432405.db2.gz QMNDTONTTJCIOP-SFHVURJKSA-N 1 0 325.412 2.437 10 70 EEIERO Cc1ccc(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000160191141 225358481 /nfs/dbraw/zinc/35/84/81/225358481.db2.gz PHRHEKVSXWNNDN-KRWDZBQOSA-N 1 0 334.460 2.035 10 70 EEIERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1ccc(-n2ccnn2)cc1 ZINC000159863028 311347530 /nfs/dbraw/zinc/34/75/30/311347530.db2.gz MBLFCFALGCTNEH-NEPJUHHUSA-N 1 0 342.428 2.402 10 70 EEIERO CCCCn1ncc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)c1C ZINC000160078992 311349821 /nfs/dbraw/zinc/34/98/21/311349821.db2.gz JLVMLGYVBBPDOE-HNNXBMFYSA-N 1 0 337.468 2.224 10 70 EEIERO C[C@H](CNC(=O)CCc1cc2ccccc2[nH]c1=O)C[NH+]1CCCC1 ZINC000161102141 311362273 /nfs/dbraw/zinc/36/22/73/311362273.db2.gz GAHUDDZIMZZSEQ-OAHLLOKOSA-N 1 0 341.455 2.309 10 70 EEIERO COC(=O)C1CCC(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000159502191 463289530 /nfs/dbraw/zinc/28/95/30/463289530.db2.gz IPXOEYLPZSVAGE-UHFFFAOYSA-N 1 0 339.480 2.138 10 70 EEIERO CCCOC(=O)[C@@H](C)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160291415 463327131 /nfs/dbraw/zinc/32/71/31/463327131.db2.gz MZBMVVWAEQPMST-OWCLPIDISA-N 1 0 326.481 2.149 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)c1cncc(-c2ccccc2)c1 ZINC000160508414 463344670 /nfs/dbraw/zinc/34/46/70/463344670.db2.gz MDAYQKGNKXQQRM-IBGZPJMESA-N 1 0 339.439 2.325 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(c2cccc(Cl)c2)CC1 ZINC000160615773 463355558 /nfs/dbraw/zinc/35/55/58/463355558.db2.gz MGBCPVRMWYKEJA-INIZCTEOSA-N 1 0 336.863 2.335 10 70 EEIERO CCc1cccc2c(CC(=O)NC[C@H](O)C[NH+]3CCCCC3)c[nH]c21 ZINC000160108924 529550932 /nfs/dbraw/zinc/55/09/32/529550932.db2.gz FNGJXWHXRZBADP-KRWDZBQOSA-N 1 0 343.471 2.236 10 70 EEIERO O=C(NCCOCc1ccc(Cl)cc1)N1CCN(C2CC2)CC1 ZINC000160549909 539521905 /nfs/dbraw/zinc/52/19/05/539521905.db2.gz GVSJSNMASWDBLY-UHFFFAOYSA-N 1 0 337.851 2.346 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000160393547 273985317 /nfs/dbraw/zinc/98/53/17/273985317.db2.gz GFGVDYHTARHOMV-ULQDDVLXSA-N 1 0 336.863 2.407 10 70 EEIERO COc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)cc(Cl)c1OC ZINC000159578816 463294417 /nfs/dbraw/zinc/29/44/17/463294417.db2.gz IMJRZDVKOZSVFG-JQWIXIFHSA-N 1 0 326.824 2.443 10 70 EEIERO Cc1ccc(C)c(C(=O)CCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160407971 463335727 /nfs/dbraw/zinc/33/57/27/463335727.db2.gz NTHAUYZEGOUVCS-KRWDZBQOSA-N 1 0 346.471 2.229 10 70 EEIERO COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160802518 463373001 /nfs/dbraw/zinc/37/30/01/463373001.db2.gz OBPULSYJCNPKDM-HUUCEWRRSA-N 1 0 330.432 2.064 10 70 EEIERO CCn1cnnc1[C@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC000161347467 463423006 /nfs/dbraw/zinc/42/30/06/463423006.db2.gz OBQYBTJIEMHHPC-HNNXBMFYSA-N 1 0 345.491 2.411 10 70 EEIERO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)C1 ZINC000159362329 225204055 /nfs/dbraw/zinc/20/40/55/225204055.db2.gz NSQAYNPIJNMECU-GHMZBOCLSA-N 1 0 344.381 2.086 10 70 EEIERO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)cc1 ZINC000159435609 463285776 /nfs/dbraw/zinc/28/57/76/463285776.db2.gz IMLHTVBGCUGZDH-PBHICJAKSA-N 1 0 342.505 2.433 10 70 EEIERO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CN(C)C ZINC000159752499 463302738 /nfs/dbraw/zinc/30/27/38/463302738.db2.gz CKULYZQKTKKVAC-QGZVFWFLSA-N 1 0 341.459 2.139 10 70 EEIERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160532481 463348525 /nfs/dbraw/zinc/34/85/25/463348525.db2.gz OOAPXPMOTUGFHO-UKRRQHHQSA-N 1 0 328.416 2.255 10 70 EEIERO C[N@@H+]1CCCN(C(=O)Nc2ccnn2Cc2ccccc2F)CC1 ZINC000160550503 463349322 /nfs/dbraw/zinc/34/93/22/463349322.db2.gz AUPXOUXTLNDLMQ-UHFFFAOYSA-N 1 0 331.395 2.240 10 70 EEIERO COc1ccc([C@H](CNC(=O)N[C@H]2CCO[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000160605919 463355393 /nfs/dbraw/zinc/35/53/93/463355393.db2.gz XHKOMIAXRGVYTQ-JLSDUUJJSA-N 1 0 347.459 2.309 10 70 EEIERO Cc1ccc2[nH]cc(CCC(=O)NC[C@@H](O)C[NH+]3CCCCC3)c2c1 ZINC000160012835 534373739 /nfs/dbraw/zinc/37/37/39/534373739.db2.gz SHNZAZAWFHMWPK-QGZVFWFLSA-N 1 0 343.471 2.372 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)N(C)C1CCCCC1 ZINC000160292695 527979643 /nfs/dbraw/zinc/97/96/43/527979643.db2.gz GZMVMZSKFJGZAB-MRXNPFEDSA-N 1 0 331.526 2.206 10 70 EEIERO CC(C)c1noc(CCC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)n1 ZINC000160759789 539522850 /nfs/dbraw/zinc/52/28/50/539522850.db2.gz YPVJXBZZIKPPDV-CYBMUJFWSA-N 1 0 341.419 2.452 10 70 EEIERO C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CCCC1=O ZINC000159466914 533449590 /nfs/dbraw/zinc/44/95/90/533449590.db2.gz POIYGJWLGRWVNO-LBPRGKRZSA-N 1 0 338.839 2.054 10 70 EEIERO CNC(=O)c1cccc(CCC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159779301 311346038 /nfs/dbraw/zinc/34/60/38/311346038.db2.gz KFMWFIVONHMAAP-MRXNPFEDSA-N 1 0 345.487 2.217 10 70 EEIERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N(C)[C@@H]2CCCc3c2cnn3C)C1 ZINC000159595040 463294358 /nfs/dbraw/zinc/29/43/58/463294358.db2.gz QGEKQGWRONYCBZ-VNQPRFMTSA-N 1 0 333.480 2.168 10 70 EEIERO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nnn1-c1ccccc1Cl ZINC000159961483 463313197 /nfs/dbraw/zinc/31/31/97/463313197.db2.gz BUVRNQPRQIATIE-BETUJISGSA-N 1 0 345.834 2.196 10 70 EEIERO CC(C)C[C@@H](CCO)CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160617566 463356714 /nfs/dbraw/zinc/35/67/14/463356714.db2.gz CVVBIJOPJKGYHV-AQFXKWCLSA-N 1 0 327.513 2.451 10 70 EEIERO CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160776526 463369846 /nfs/dbraw/zinc/36/98/46/463369846.db2.gz SBBGUEANJWXQRR-APWZRJJASA-N 1 0 334.435 2.411 10 70 EEIERO CN(CC[NH+]1CCC(Cn2ccnn2)CC1)Cc1ccc(F)cc1 ZINC000161011160 463390053 /nfs/dbraw/zinc/39/00/53/463390053.db2.gz FDTYVVXDGWZWQY-UHFFFAOYSA-N 1 0 331.439 2.261 10 70 EEIERO C[C@@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[N@H+](C)C1CC1 ZINC000161310483 463418012 /nfs/dbraw/zinc/41/80/12/463418012.db2.gz RAEFHYQFHKKBSQ-VHSXEESVSA-N 1 0 344.381 2.132 10 70 EEIERO O=C(/C=C/c1cccs1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000159361352 534779544 /nfs/dbraw/zinc/77/95/44/534779544.db2.gz KFRFQBFHWNVXSE-OZSKJFCKSA-N 1 0 342.464 2.297 10 70 EEIERO COc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c(O)c1 ZINC000159583807 539517193 /nfs/dbraw/zinc/51/71/93/539517193.db2.gz GJQRLFCORXDUAG-MRXNPFEDSA-N 1 0 348.443 2.118 10 70 EEIERO COc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1NC(C)=O ZINC000159551473 225237556 /nfs/dbraw/zinc/23/75/56/225237556.db2.gz FKNLJABNLGTPRE-CYBMUJFWSA-N 1 0 333.432 2.317 10 70 EEIERO O=c1[nH]c(CSCCN2CCOCC2)nc2c3ccccc3oc21 ZINC000159971793 311348330 /nfs/dbraw/zinc/34/83/30/311348330.db2.gz VGJWRDOTMVJJNO-UHFFFAOYSA-N 1 0 345.424 2.235 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)NC(=O)c1ccccc1 ZINC000160531229 311355299 /nfs/dbraw/zinc/35/52/99/311355299.db2.gz JJAFUUZJZBKTMB-SJLPKXTDSA-N 1 0 345.487 2.432 10 70 EEIERO COCCc1ccc(OCCCC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000159433596 463286172 /nfs/dbraw/zinc/28/61/72/463286172.db2.gz BGUQJBPSGCULHN-HDICACEKSA-N 1 0 346.471 2.387 10 70 EEIERO O=C(NCCCC[NH+]1CCOCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160679205 463362952 /nfs/dbraw/zinc/36/29/52/463362952.db2.gz ROWYVGHYGYQYDW-GDBMZVCRSA-N 1 0 338.398 2.297 10 70 EEIERO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000160249202 529630598 /nfs/dbraw/zinc/63/05/98/529630598.db2.gz QNFVTDAFTRPZLF-YESZJQIVSA-N 1 0 337.508 2.262 10 70 EEIERO COc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c(O)c1 ZINC000159583709 539516729 /nfs/dbraw/zinc/51/67/29/539516729.db2.gz GJQRLFCORXDUAG-INIZCTEOSA-N 1 0 348.443 2.118 10 70 EEIERO C[NH+](C)CCn1ccc(NC(=O)NCc2ccn(C3CCCC3)n2)n1 ZINC000160079209 237231162 /nfs/dbraw/zinc/23/11/62/237231162.db2.gz KURNQVDGKCFPGZ-UHFFFAOYSA-N 1 0 345.451 2.078 10 70 EEIERO COc1ccccc1[C@@H](C)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160299496 532963654 /nfs/dbraw/zinc/96/36/54/532963654.db2.gz YMYMXYHXHJKCIP-HOTGVXAUSA-N 1 0 334.460 2.152 10 70 EEIERO Cc1cc(OC(F)F)c(C(=O)NC[C@H](O)C[NH+]2CCCCC2)s1 ZINC000160287279 225379494 /nfs/dbraw/zinc/37/94/94/225379494.db2.gz NRKGXVZESPFIKJ-NSHDSACASA-N 1 0 348.415 2.235 10 70 EEIERO CSCc1noc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000160397620 311353751 /nfs/dbraw/zinc/35/37/51/311353751.db2.gz ZETSXFVELKLGFB-CYBMUJFWSA-N 1 0 340.493 2.102 10 70 EEIERO CCC[C@H](C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[NH+](C)C ZINC000160028130 463315434 /nfs/dbraw/zinc/31/54/34/463315434.db2.gz UHHYNWHOTIAWIG-MOPGFXCFSA-N 1 0 347.503 2.215 10 70 EEIERO CC(C)(C)C(=O)NCc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000160205202 463322430 /nfs/dbraw/zinc/32/24/30/463322430.db2.gz VWCJGXKNSVDKOI-CALCHBBNSA-N 1 0 343.471 2.315 10 70 EEIERO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1NC(C)=O ZINC000160336772 463330752 /nfs/dbraw/zinc/33/07/52/463330752.db2.gz NPUDSSRQVHAPFP-BXUZGUMPSA-N 1 0 326.462 2.418 10 70 EEIERO CCN(C(=O)NCc1noc(C)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160379203 463333670 /nfs/dbraw/zinc/33/36/70/463333670.db2.gz CGZVQAMDKJMISU-INIZCTEOSA-N 1 0 343.431 2.184 10 70 EEIERO CC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cnn(C)c1 ZINC000160570122 463350460 /nfs/dbraw/zinc/35/04/60/463350460.db2.gz IGYHIJYHIFEPFP-LJQANCHMSA-N 1 0 328.460 2.493 10 70 EEIERO Cn1cnc2cc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cnc21 ZINC000160574977 463351209 /nfs/dbraw/zinc/35/12/09/463351209.db2.gz CEAJULNZXUHADB-OAHLLOKOSA-N 1 0 327.432 2.059 10 70 EEIERO CCC[C@H](C(=O)N(CC)CC(=O)Nc1cccc(OC)c1)[NH+](C)C ZINC000161472477 527969283 /nfs/dbraw/zinc/96/92/83/527969283.db2.gz VASRLMDHCMKWRS-MRXNPFEDSA-N 1 0 335.448 2.213 10 70 EEIERO CC[C@H](Oc1cccc(C)c1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160013254 529160765 /nfs/dbraw/zinc/16/07/65/529160765.db2.gz LGIYQRHOPQANIA-WMZOPIPTSA-N 1 0 334.460 2.115 10 70 EEIERO COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnc(C)c1Cl ZINC000159730274 539518186 /nfs/dbraw/zinc/51/81/86/539518186.db2.gz GPXXERRZNXCWBQ-GFCCVEGCSA-N 1 0 326.828 2.276 10 70 EEIERO COc1ccc2c(c1)C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)CO2 ZINC000160525533 539522172 /nfs/dbraw/zinc/52/21/72/539522172.db2.gz WZHKMWYSIOUARE-DLBZAZTESA-N 1 0 346.471 2.483 10 70 EEIERO Cc1ccc(C)c(OCCC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160285415 237234797 /nfs/dbraw/zinc/23/47/97/237234797.db2.gz QHANJKNLBUSWQC-KRWDZBQOSA-N 1 0 334.460 2.035 10 70 EEIERO C[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1cccs1 ZINC000159384687 289286687 /nfs/dbraw/zinc/28/66/87/289286687.db2.gz QUGCWCZQONJHAE-HOTGVXAUSA-N 1 0 335.517 2.480 10 70 EEIERO CCCC[C@H](NC(=O)NCC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160544860 311355580 /nfs/dbraw/zinc/35/55/80/311355580.db2.gz YSBKLUFEXHQITQ-CVEARBPZSA-N 1 0 340.512 2.101 10 70 EEIERO Cc1noc(Cl)c1CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000160743123 311358252 /nfs/dbraw/zinc/35/82/52/311358252.db2.gz PJNCOQHQKWYJSM-CQSZACIVSA-N 1 0 335.835 2.468 10 70 EEIERO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)c1 ZINC000159391500 463285014 /nfs/dbraw/zinc/28/50/14/463285014.db2.gz WJZANPJUIXXRKA-RHSMWYFYSA-N 1 0 342.505 2.433 10 70 EEIERO CC1CC[NH+](CCNC(=O)c2cccc(OCC(F)(F)F)n2)CC1 ZINC000159878510 463309630 /nfs/dbraw/zinc/30/96/30/463309630.db2.gz KDFMTRGHCYEHOK-UHFFFAOYSA-N 1 0 345.365 2.484 10 70 EEIERO Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160315216 463327489 /nfs/dbraw/zinc/32/74/89/463327489.db2.gz DIWYKGCXJIZWLP-CALCHBBNSA-N 1 0 338.455 2.385 10 70 EEIERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnc(-c2ncccn2)s1 ZINC000160436881 463338358 /nfs/dbraw/zinc/33/83/58/463338358.db2.gz JFPXBEGGROMKPX-CYBMUJFWSA-N 1 0 345.472 2.450 10 70 EEIERO CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160468295 463341099 /nfs/dbraw/zinc/34/10/99/463341099.db2.gz JPXCHNSGXGDOLF-OALUTQOASA-N 1 0 332.488 2.464 10 70 EEIERO CN(CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1)Cc1ccc(F)cc1 ZINC000160987851 463388093 /nfs/dbraw/zinc/38/80/93/463388093.db2.gz JIGBCMGKRYHZKC-KRWDZBQOSA-N 1 0 331.439 2.261 10 70 EEIERO C[C@H]1CCc2sc(C(=O)NC[C@H](O)C[NH+]3CCCCC3)cc2C1 ZINC000160126202 533788528 /nfs/dbraw/zinc/78/85/28/533788528.db2.gz FCGWPBNNLAGMDY-ZFWWWQNUSA-N 1 0 336.501 2.450 10 70 EEIERO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000159899119 534160441 /nfs/dbraw/zinc/16/04/41/534160441.db2.gz WBNKPYOXOQXQOH-GFCCVEGCSA-N 1 0 331.391 2.271 10 70 EEIERO Cc1cnn(Cc2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)no2)c1 ZINC000159708900 225264536 /nfs/dbraw/zinc/26/45/36/225264536.db2.gz HEKCLKXOFSHTFG-HNNXBMFYSA-N 1 0 345.447 2.222 10 70 EEIERO O=C(/C=C/c1ccnc2ccccc12)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000160344809 225393051 /nfs/dbraw/zinc/39/30/51/225393051.db2.gz IMCRGBWZDMIUSP-KBOKABMXSA-N 1 0 339.439 2.211 10 70 EEIERO C[C@H](CNC(=O)CC/C=C/c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000160103481 225338408 /nfs/dbraw/zinc/33/84/08/225338408.db2.gz NZHFRFNNJSNBLE-WGLAMXGCSA-N 1 0 329.488 2.480 10 70 EEIERO CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000161304990 311364190 /nfs/dbraw/zinc/36/41/90/311364190.db2.gz XRAWLWVMLQCVQX-ILXRZTDVSA-N 1 0 341.496 2.381 10 70 EEIERO CCOc1c(OC)cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159669933 463298572 /nfs/dbraw/zinc/29/85/72/463298572.db2.gz GKAYQISKFPGZOT-GXTWGEPZSA-N 1 0 336.432 2.188 10 70 EEIERO O=C(c1ccn(-c2cccc(Cl)c2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160261688 463325817 /nfs/dbraw/zinc/32/58/17/463325817.db2.gz NXHWLKDCOKLNEL-OKILXGFUSA-N 1 0 330.819 2.492 10 70 EEIERO O=C(NC[C@H](O)C[NH+]1CCCCC1)C1(Cc2ccccc2)CCC1 ZINC000160434978 463338875 /nfs/dbraw/zinc/33/88/75/463338875.db2.gz UBIIKIVCUNBIMA-SFHVURJKSA-N 1 0 330.472 2.362 10 70 EEIERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000160532229 463346751 /nfs/dbraw/zinc/34/67/51/463346751.db2.gz OOAPXPMOTUGFHO-HIFRSBDPSA-N 1 0 328.416 2.255 10 70 EEIERO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(-c3ncn(C)n3)cc2)CC[N@@H+]1C ZINC000160637651 463357301 /nfs/dbraw/zinc/35/73/01/463357301.db2.gz NDYXPDRKHVXZHL-BBRMVZONSA-N 1 0 342.447 2.429 10 70 EEIERO CC(C)[C@@H]([NH2+]C1CCN(C(N)=O)CC1)c1ccc2c(c1)OCCO2 ZINC000161016116 463390827 /nfs/dbraw/zinc/39/08/27/463390827.db2.gz LVROXWILSLPZCW-QGZVFWFLSA-N 1 0 333.432 2.288 10 70 EEIERO O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160003086 534719738 /nfs/dbraw/zinc/71/97/38/534719738.db2.gz GFLPVWWFUQSFKZ-HNNXBMFYSA-N 1 0 344.377 2.211 10 70 EEIERO CC(C)c1ccc(OCC(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000160000414 528119445 /nfs/dbraw/zinc/11/94/45/528119445.db2.gz VPVZCTBPVYQBJU-KRWDZBQOSA-N 1 0 334.460 2.152 10 70 EEIERO COCC[NH+](CCOC)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000159707396 225262462 /nfs/dbraw/zinc/26/24/62/225262462.db2.gz JVTNDTWHSBXJKS-HNNXBMFYSA-N 1 0 326.824 2.428 10 70 EEIERO O=C(COc1ccc2ccccc2c1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160255372 225370701 /nfs/dbraw/zinc/37/07/01/225370701.db2.gz CXHSSGJANFYTJP-SFHVURJKSA-N 1 0 342.439 2.182 10 70 EEIERO Cc1ccccc1OCCCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000160646703 225445751 /nfs/dbraw/zinc/44/57/51/225445751.db2.gz HTHBJGRJFMSIBL-KRWDZBQOSA-N 1 0 334.460 2.117 10 70 EEIERO Cc1nn(C)c(C)c1CCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160929903 311359931 /nfs/dbraw/zinc/35/99/31/311359931.db2.gz PRCRAXKECVDUCY-UHFFFAOYSA-N 1 0 335.496 2.095 10 70 EEIERO Cc1c(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cnn1-c1ccccc1F ZINC000160063350 463316629 /nfs/dbraw/zinc/31/66/29/463316629.db2.gz SNVSBISSCWYYPH-OKILXGFUSA-N 1 0 328.391 2.286 10 70 EEIERO NC(=O)N1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000160521661 463345234 /nfs/dbraw/zinc/34/52/34/463345234.db2.gz UJTOCSDAILYSKI-UHFFFAOYSA-N 1 0 331.464 2.095 10 70 EEIERO CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000160807812 463372972 /nfs/dbraw/zinc/37/29/72/463372972.db2.gz SARNQSMBHFLTQF-HZPDHXFCSA-N 1 0 344.459 2.454 10 70 EEIERO COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160924770 463383243 /nfs/dbraw/zinc/38/32/43/463383243.db2.gz DYYHPWDELBNMGU-QUCCMNQESA-N 1 0 346.471 2.076 10 70 EEIERO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000161005919 463390750 /nfs/dbraw/zinc/39/07/50/463390750.db2.gz FIUZARIBMOYTGM-KURKYZTESA-N 1 0 347.503 2.461 10 70 EEIERO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1 ZINC000161349783 463424282 /nfs/dbraw/zinc/42/42/82/463424282.db2.gz KTYKAEWQUFHRMF-OAHLLOKOSA-N 1 0 328.416 2.449 10 70 EEIERO CN(C(=O)CCN1c2ccccc2CCC1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161492616 463434522 /nfs/dbraw/zinc/43/45/22/463434522.db2.gz KJTXJQFHBJPDFC-SJPCQFCGSA-N 1 0 341.455 2.097 10 70 EEIERO