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+]1CCC[C@@H]1CN(C)C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000126261372 700746060 /nfs/dbraw/zinc/74/60/60/700746060.db2.gz HUIJFJKFYSWBSM-OAHLLOKOSA-N 1 1 359.392 3.263 10 0 FGAEMO Cc1ccc(-c2nn(CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c(=S)n2C)cc1 ZINC000153241073 704990512 /nfs/dbraw/zinc/99/05/12/704990512.db2.gz STYRODPFNCFROB-DOTOQJQBSA-N 1 1 357.527 3.053 10 0 FGAEMO COC[C@@]1(C)CC(=O)N(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000177149027 705607602 /nfs/dbraw/zinc/60/76/02/705607602.db2.gz XLCUVNYXYKWOCH-BEFAXECRSA-N 1 1 365.543 3.288 10 0 FGAEMO COC[C@@]1(C)CC(=O)N(C[N@H+]2CCC[C@@H](c3nc(C(C)C)cs3)C2)C1 ZINC000177149027 705607607 /nfs/dbraw/zinc/60/76/07/705607607.db2.gz XLCUVNYXYKWOCH-BEFAXECRSA-N 1 1 365.543 3.288 10 0 FGAEMO CCC[C@H]1CCc2c(sc(=O)n2CN(C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000177164546 705609035 /nfs/dbraw/zinc/60/90/35/705609035.db2.gz BQASJLRWLJTDHW-HOTGVXAUSA-N 1 1 351.560 3.188 10 0 FGAEMO C[C@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000177677962 705634606 /nfs/dbraw/zinc/63/46/06/705634606.db2.gz RIDRNNBOPXTUNZ-SWLSCSKDSA-N 1 1 371.453 3.186 10 0 FGAEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000179932110 705721071 /nfs/dbraw/zinc/72/10/71/705721071.db2.gz SOUFBQZYPGVUOD-OAHLLOKOSA-N 1 1 369.303 3.344 10 0 FGAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc(Br)c[nH]1 ZINC000182066484 705823780 /nfs/dbraw/zinc/82/37/80/705823780.db2.gz RYWZREIFGPRXLM-LBPRGKRZSA-N 1 1 350.260 3.028 10 0 FGAEMO C[C@@H]([NH2+][C@H](CO)c1ccccc1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000183631832 705894357 /nfs/dbraw/zinc/89/43/57/705894357.db2.gz IEJGWLIRFLAPGX-IAQYHMDHSA-N 1 1 359.426 3.086 10 0 FGAEMO N#Cc1cc(Cl)ccc1CN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000186969430 712729559 /nfs/dbraw/zinc/72/95/59/712729559.db2.gz UQHSXRMKFAPZFF-FQEVSTJZSA-N 1 1 355.869 3.063 10 0 FGAEMO Cc1nnc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)s1 ZINC000248662965 713655674 /nfs/dbraw/zinc/65/56/74/713655674.db2.gz YXTXGHNEQPVVRC-CHWSQXEVSA-N 1 1 370.400 3.096 10 0 FGAEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccccc1F ZINC000250525613 713671222 /nfs/dbraw/zinc/67/12/22/713671222.db2.gz QGJPRNBHDNFDEE-RHSMWYFYSA-N 1 1 352.450 3.238 10 0 FGAEMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000250525613 713671225 /nfs/dbraw/zinc/67/12/25/713671225.db2.gz QGJPRNBHDNFDEE-RHSMWYFYSA-N 1 1 352.450 3.238 10 0 FGAEMO CCc1[nH+]ccn1[C@H]1CCCN(S(=O)(=O)/C=C\c2ccc(F)cc2)C1 ZINC000255194098 713687062 /nfs/dbraw/zinc/68/70/62/713687062.db2.gz POTHEBLWYQZICQ-GQPJMJRUSA-N 1 1 363.458 3.222 10 0 FGAEMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1c1c[nH]nn1 ZINC000668576712 721313961 /nfs/dbraw/zinc/31/39/61/721313961.db2.gz VGKDZCHJHWLSED-KBXCAEBGSA-N 1 1 358.829 3.333 10 0 FGAEMO COc1ccc(C[N@@H+](CC(C)C)C[C@H](O)COCC(C)C)cc1OC ZINC000036095633 205003810 /nfs/dbraw/zinc/00/38/10/205003810.db2.gz UAJBMUDNDBDKRW-SFHVURJKSA-N 1 1 353.503 3.195 10 0 FGAEMO CCC[N@H+](Cc1cccc(OC)c1OC)C[C@@H](O)COc1ccccc1 ZINC000036097213 205004030 /nfs/dbraw/zinc/00/40/30/205004030.db2.gz GEJCDMOIOLUQLH-GOSISDBHSA-N 1 1 359.466 3.356 10 0 FGAEMO CC[C@H](CO)[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccncc1 ZINC000055368697 205215712 /nfs/dbraw/zinc/21/57/12/205215712.db2.gz LUAQEYYICRYQAD-LJQANCHMSA-N 1 1 354.429 3.384 10 0 FGAEMO CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cccn2)cc1COC(C)=O ZINC000063832167 205294597 /nfs/dbraw/zinc/29/45/97/205294597.db2.gz GDHRZJDKUBTESR-LJQANCHMSA-N 1 1 357.454 3.010 10 0 FGAEMO CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cccn2)cc1COC(C)=O ZINC000063832169 205294643 /nfs/dbraw/zinc/29/46/43/205294643.db2.gz GDHRZJDKUBTESR-IBGZPJMESA-N 1 1 357.454 3.010 10 0 FGAEMO CSc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)o1 ZINC000190539599 257368759 /nfs/dbraw/zinc/36/87/59/257368759.db2.gz ATGTUSNBDKPKLS-ZDUSSCGKSA-N 1 1 365.524 3.361 10 0 FGAEMO Cc1ccc(N2CCC([N@H+]3CCCn4nc(CN(C)C)cc4C3)CC2)cc1 ZINC000072154842 136142957 /nfs/dbraw/zinc/14/29/57/136142957.db2.gz UXBQTBRQQNZBDE-UHFFFAOYSA-N 1 1 367.541 3.128 10 0 FGAEMO CC[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000131684612 494698380 /nfs/dbraw/zinc/69/83/80/494698380.db2.gz UPDNPNIXNGVOEG-DLBZAZTESA-N 1 1 353.304 3.307 10 0 FGAEMO Cc1ccccc1[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)[C@H](C)CO1 ZINC000075785219 493778479 /nfs/dbraw/zinc/77/84/79/493778479.db2.gz UPUXBIVVWYILEA-UZKOGDIHSA-N 1 1 355.478 3.335 10 0 FGAEMO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](O)COCc2ccccc2)[C@H](C)CO1 ZINC000075785219 493778481 /nfs/dbraw/zinc/77/84/81/493778481.db2.gz UPUXBIVVWYILEA-UZKOGDIHSA-N 1 1 355.478 3.335 10 0 FGAEMO COc1ccc(CC[N@@H+]2[C@H](C)CN(c3ccccn3)C[C@@H]2C)cc1OC ZINC000033638960 494061996 /nfs/dbraw/zinc/06/19/96/494061996.db2.gz IDNTZDUJFHUKQQ-CALCHBBNSA-N 1 1 355.482 3.241 10 0 FGAEMO CCCNC(=O)c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](CC)C2)cc1Cl ZINC000054476525 494239519 /nfs/dbraw/zinc/23/95/19/494239519.db2.gz UXDWAVGEOJRIRP-CQSZACIVSA-N 1 1 366.893 3.086 10 0 FGAEMO CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000078822902 494368936 /nfs/dbraw/zinc/36/89/36/494368936.db2.gz OGEDYGCNSSUPMC-FQEVSTJZSA-N 1 1 351.450 3.039 10 0 FGAEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000078822902 494368938 /nfs/dbraw/zinc/36/89/38/494368938.db2.gz OGEDYGCNSSUPMC-FQEVSTJZSA-N 1 1 351.450 3.039 10 0 FGAEMO CCc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000073489294 494376821 /nfs/dbraw/zinc/37/68/21/494376821.db2.gz JWXBVDIYZCOOKL-FXAWDEMLSA-N 1 1 359.514 3.206 10 0 FGAEMO Cc1c(Br)cccc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000090526825 494479123 /nfs/dbraw/zinc/47/91/23/494479123.db2.gz WPINQIJADLDHOY-UHFFFAOYSA-N 1 1 361.287 3.260 10 0 FGAEMO CC1(C)CO[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)COCc1cccs1 ZINC000067230676 494498291 /nfs/dbraw/zinc/49/82/91/494498291.db2.gz IOVANQYSMZUCPF-PKOBYXMFSA-N 1 1 361.507 3.478 10 0 FGAEMO COc1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000046348153 494519289 /nfs/dbraw/zinc/51/92/89/494519289.db2.gz ATENEHBNYAQFAC-PMPSAXMXSA-N 1 1 363.502 3.184 10 0 FGAEMO C[C@@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000047004376 494612654 /nfs/dbraw/zinc/61/26/54/494612654.db2.gz OYXQDQFNNYIPBR-YOEHRIQHSA-N 1 1 369.431 3.417 10 0 FGAEMO C[C@H](CNC(=O)N1CCC[C@H](C(F)(F)F)C1)[N@H+]1CCc2ccccc2C1 ZINC000047004378 494612703 /nfs/dbraw/zinc/61/27/03/494612703.db2.gz OYXQDQFNNYIPBR-PBHICJAKSA-N 1 1 369.431 3.417 10 0 FGAEMO Cc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3cnn(C)c3)CC2)c1C ZINC000115859420 494644158 /nfs/dbraw/zinc/64/41/58/494644158.db2.gz XUERKIMVMNUKJH-SFHVURJKSA-N 1 1 369.513 3.015 10 0 FGAEMO Cc1cccc([C@H](C)NC(=O)N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c1C ZINC000115859420 494644166 /nfs/dbraw/zinc/64/41/66/494644166.db2.gz XUERKIMVMNUKJH-SFHVURJKSA-N 1 1 369.513 3.015 10 0 FGAEMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(Cn2cccn2)CC1 ZINC000126159378 494656439 /nfs/dbraw/zinc/65/64/39/494656439.db2.gz CTXWYMXDQPNQBV-NRFANRHFSA-N 1 1 366.509 3.034 10 0 FGAEMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c(C)n1CCC(C)C ZINC000131596116 494670003 /nfs/dbraw/zinc/67/00/03/494670003.db2.gz AJNWBDLZLRVTDW-LJQANCHMSA-N 1 1 371.529 3.337 10 0 FGAEMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c(C)n1CCC(C)C ZINC000131596116 494670010 /nfs/dbraw/zinc/67/00/10/494670010.db2.gz AJNWBDLZLRVTDW-LJQANCHMSA-N 1 1 371.529 3.337 10 0 FGAEMO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1Br ZINC000126283354 494695353 /nfs/dbraw/zinc/69/53/53/494695353.db2.gz NDSYMDAWKHVBED-NSHDSACASA-N 1 1 351.288 3.405 10 0 FGAEMO CCOc1cc(Cl)ccc1CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000121327595 494704135 /nfs/dbraw/zinc/70/41/35/494704135.db2.gz GGXWEGAQYBRCOZ-MRXNPFEDSA-N 1 1 353.894 3.364 10 0 FGAEMO C[NH+](C)[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)c1ccco1 ZINC000067949210 494706144 /nfs/dbraw/zinc/70/61/44/494706144.db2.gz OBUKNOAKUOAXQE-HNNXBMFYSA-N 1 1 358.829 3.194 10 0 FGAEMO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000092708425 494720675 /nfs/dbraw/zinc/72/06/75/494720675.db2.gz KHSSJGOIYNPKQJ-AWEZNQCLSA-N 1 1 356.413 3.177 10 0 FGAEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000092708425 494720679 /nfs/dbraw/zinc/72/06/79/494720679.db2.gz KHSSJGOIYNPKQJ-AWEZNQCLSA-N 1 1 356.413 3.177 10 0 FGAEMO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000116310408 494757857 /nfs/dbraw/zinc/75/78/57/494757857.db2.gz SCMSUSANAUWQAU-ZOBUZTSGSA-N 1 1 366.465 3.222 10 0 FGAEMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2cnn(C)c2)C1)c1cc2ccccc2o1 ZINC000116310408 494757862 /nfs/dbraw/zinc/75/78/62/494757862.db2.gz SCMSUSANAUWQAU-ZOBUZTSGSA-N 1 1 366.465 3.222 10 0 FGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)c(C)c3)C2)n1 ZINC000092813051 494758208 /nfs/dbraw/zinc/75/82/08/494758208.db2.gz HOQFYSWCBOEALM-IBGZPJMESA-N 1 1 362.481 3.213 10 0 FGAEMO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000116318425 494759811 /nfs/dbraw/zinc/75/98/11/494759811.db2.gz YZLWEOUYSFPKQA-NSHDSACASA-N 1 1 353.253 3.155 10 0 FGAEMO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Cl)c(Cl)c3)C2)cn1 ZINC000116318425 494759819 /nfs/dbraw/zinc/75/98/19/494759819.db2.gz YZLWEOUYSFPKQA-NSHDSACASA-N 1 1 353.253 3.155 10 0 FGAEMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)cc1 ZINC000092814317 494760748 /nfs/dbraw/zinc/76/07/48/494760748.db2.gz VENJGEPPGHQTQJ-HNNXBMFYSA-N 1 1 367.453 3.231 10 0 FGAEMO Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](c4cnn(C)c4)C3)n2)cc1F ZINC000116316043 494760870 /nfs/dbraw/zinc/76/08/70/494760870.db2.gz LEOXZWZLPAQHNL-INIZCTEOSA-N 1 1 369.444 3.340 10 0 FGAEMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(F)c(F)cc2F)C[C@@H]1CC ZINC000131966462 494787936 /nfs/dbraw/zinc/78/79/36/494787936.db2.gz FCAQRHXCKPONMK-LBPRGKRZSA-N 1 1 359.392 3.069 10 0 FGAEMO CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccco3)c2C1 ZINC000116576006 494819389 /nfs/dbraw/zinc/81/93/89/494819389.db2.gz RQGJJZOFKRDAOI-GOSISDBHSA-N 1 1 367.449 3.307 10 0 FGAEMO CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCC[C@@H]3c3ccco3)c2C1 ZINC000116576006 494819391 /nfs/dbraw/zinc/81/93/91/494819391.db2.gz RQGJJZOFKRDAOI-GOSISDBHSA-N 1 1 367.449 3.307 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCOCc1ccc(OC)cc1 ZINC000126719743 494826467 /nfs/dbraw/zinc/82/64/67/494826467.db2.gz YWOHOUDOTGFEQT-RTBURBONSA-N 1 1 360.498 3.077 10 0 FGAEMO CCCn1cc(CN2CCC[N@@H+](CC3=Cc4ccccc4OC3)CC2)cn1 ZINC000121672479 494835685 /nfs/dbraw/zinc/83/56/85/494835685.db2.gz ODMIRUROOBOPGR-UHFFFAOYSA-N 1 1 366.509 3.277 10 0 FGAEMO CCCn1cc(C[N@@H+]2CCCN(CC3=Cc4ccccc4OC3)CC2)cn1 ZINC000121672479 494835689 /nfs/dbraw/zinc/83/56/89/494835689.db2.gz ODMIRUROOBOPGR-UHFFFAOYSA-N 1 1 366.509 3.277 10 0 FGAEMO CCCn1cc(C[N@H+]2CCCN(CC3=Cc4ccccc4OC3)CC2)cn1 ZINC000121672479 494835692 /nfs/dbraw/zinc/83/56/92/494835692.db2.gz ODMIRUROOBOPGR-UHFFFAOYSA-N 1 1 366.509 3.277 10 0 FGAEMO COc1cc(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)ccc1SC ZINC000109329061 494860860 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C(=C/C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)\CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484590 495382866 /nfs/dbraw/zinc/38/28/66/495382866.db2.gz XHMCFEBFWBQFIY-BGEOSOQGSA-N 1 1 354.502 3.443 10 0 FGAEMO Cc1ccc(CN(C(=O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)C2CC2)cc1 ZINC000114483056 495383034 /nfs/dbraw/zinc/38/30/34/495383034.db2.gz UKTDODMMRZHQQO-FQEVSTJZSA-N 1 1 352.482 3.436 10 0 FGAEMO Cc1ccc(CN(C(=O)C[N@H+]2CCCC[C@H]2c2cn[nH]c2)C2CC2)cc1 ZINC000114483056 495383039 /nfs/dbraw/zinc/38/30/39/495383039.db2.gz UKTDODMMRZHQQO-FQEVSTJZSA-N 1 1 352.482 3.436 10 0 FGAEMO CCn1cnnc1C1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000130389884 495384672 /nfs/dbraw/zinc/38/46/72/495384672.db2.gz PYAQHCUKERNFBM-UHFFFAOYSA-N 1 1 370.432 3.175 10 0 FGAEMO Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000114595950 495396603 /nfs/dbraw/zinc/39/66/03/495396603.db2.gz PSEZOBUIVMRCQK-MSOLQXFVSA-N 1 1 361.534 3.004 10 0 FGAEMO COC(=O)Nc1cc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1F ZINC000120571096 495407321 /nfs/dbraw/zinc/40/73/21/495407321.db2.gz WATBTYOBHZJENN-CQSZACIVSA-N 1 1 366.437 3.246 10 0 FGAEMO CC(C)Cc1ccc([C@H](C)C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000120571366 495408365 /nfs/dbraw/zinc/40/83/65/495408365.db2.gz WLUPCKJWNXHPOY-LVCYWYKZSA-N 1 1 358.526 3.168 10 0 FGAEMO Clc1ccc(-c2cc(C[N@H+]3CCCN(c4cccnn4)CC3)on2)cc1 ZINC000106069850 495409033 /nfs/dbraw/zinc/40/90/33/495409033.db2.gz ICNYMYNZQXFINY-UHFFFAOYSA-N 1 1 369.856 3.497 10 0 FGAEMO Cc1ccc(N2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3C)CC2)nn1 ZINC000106071837 495409522 /nfs/dbraw/zinc/40/95/22/495409522.db2.gz GOBHWAIHJOFXBZ-UHFFFAOYSA-N 1 1 370.888 3.037 10 0 FGAEMO Cc1ccc(N2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3C)CC2)nn1 ZINC000106071837 495409526 /nfs/dbraw/zinc/40/95/26/495409526.db2.gz GOBHWAIHJOFXBZ-UHFFFAOYSA-N 1 1 370.888 3.037 10 0 FGAEMO Clc1ccc(-c2cnc(C[N@@H+]3CCCN(c4cccnn4)CC3)o2)cc1 ZINC000106070623 495409813 /nfs/dbraw/zinc/40/98/13/495409813.db2.gz SKNSHAOHNVKZHV-UHFFFAOYSA-N 1 1 369.856 3.497 10 0 FGAEMO Clc1ccc(-c2cnc(C[N@H+]3CCCN(c4cccnn4)CC3)o2)cc1 ZINC000106070623 495409817 /nfs/dbraw/zinc/40/98/17/495409817.db2.gz SKNSHAOHNVKZHV-UHFFFAOYSA-N 1 1 369.856 3.497 10 0 FGAEMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000106076337 495410484 /nfs/dbraw/zinc/41/04/84/495410484.db2.gz WWIJDAWAHIFNOH-OAHLLOKOSA-N 1 1 366.387 3.476 10 0 FGAEMO C[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106077058 495410577 /nfs/dbraw/zinc/41/05/77/495410577.db2.gz BQZXAPSEIZSFOF-KRWDZBQOSA-N 1 1 367.428 3.372 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc(Br)n2)C1 ZINC000136958466 495412892 /nfs/dbraw/zinc/41/28/92/495412892.db2.gz OASXICLFKAYHAX-GFCCVEGCSA-N 1 1 363.259 3.080 10 0 FGAEMO C[C@H](O)C[NH+]1CCC(CN(C)Cc2csc(-c3ccsc3)n2)CC1 ZINC000106124475 495417320 /nfs/dbraw/zinc/41/73/20/495417320.db2.gz WWDUOOOSNJIFGO-AWEZNQCLSA-N 1 1 365.568 3.396 10 0 FGAEMO Cn1cc(C[N@H+]2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000106158095 495420666 /nfs/dbraw/zinc/42/06/66/495420666.db2.gz VQMOKXXSUFDQIS-UHFFFAOYSA-N 1 1 352.404 3.147 10 0 FGAEMO Cn1cc(CN2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000106158095 495420677 /nfs/dbraw/zinc/42/06/77/495420677.db2.gz VQMOKXXSUFDQIS-UHFFFAOYSA-N 1 1 352.404 3.147 10 0 FGAEMO Cn1cc(CN2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000106158095 495420681 /nfs/dbraw/zinc/42/06/81/495420681.db2.gz VQMOKXXSUFDQIS-UHFFFAOYSA-N 1 1 352.404 3.147 10 0 FGAEMO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162079 495422861 /nfs/dbraw/zinc/42/28/61/495422861.db2.gz NDEIXAYLDALQKY-WMZOPIPTSA-N 1 1 373.522 3.080 10 0 FGAEMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000106162079 495422865 /nfs/dbraw/zinc/42/28/65/495422865.db2.gz NDEIXAYLDALQKY-WMZOPIPTSA-N 1 1 373.522 3.080 10 0 FGAEMO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1)c1ccccc1 ZINC000106179619 495424948 /nfs/dbraw/zinc/42/49/48/495424948.db2.gz SNQJPDJJKZWCFG-LPHOPBHVSA-N 1 1 369.513 3.049 10 0 FGAEMO CCc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2cccc(F)c2)C1 ZINC000106216099 495434918 /nfs/dbraw/zinc/43/49/18/495434918.db2.gz PWJHKQULGNRXPQ-QFBILLFUSA-N 1 1 372.488 3.269 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N(C)[C@@H](C)c3ccc(F)cc3)C2)c1 ZINC000106222376 495436133 /nfs/dbraw/zinc/43/61/33/495436133.db2.gz VCEZWADUHFWWDT-LPHOPBHVSA-N 1 1 358.461 3.187 10 0 FGAEMO CCOc1c(Cl)cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)cc1OC ZINC000120692356 495436414 /nfs/dbraw/zinc/43/64/14/495436414.db2.gz LTGVZZZXZAETTI-GDBMZVCRSA-N 1 1 370.921 3.024 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@@H+](CCC(=O)NCc3ccccc3Cl)C2)c1 ZINC000106222310 495436923 /nfs/dbraw/zinc/43/69/23/495436923.db2.gz VBOUGROFBJNDSS-KRWDZBQOSA-N 1 1 360.889 3.188 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@@H+](CC(=O)N3c4ccccc4CC[C@@H]3C)C2)c1 ZINC000106222509 495438242 /nfs/dbraw/zinc/43/82/42/495438242.db2.gz TULFCZJIARUGPK-HKUYNNGSSA-N 1 1 352.482 3.196 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@H+](CC(=O)N3c4ccccc4CC[C@@H]3C)C2)c1 ZINC000106222509 495438244 /nfs/dbraw/zinc/43/82/44/495438244.db2.gz TULFCZJIARUGPK-HKUYNNGSSA-N 1 1 352.482 3.196 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCC1(c2ccc(F)cc2F)CC1 ZINC000120854798 495472172 /nfs/dbraw/zinc/47/21/72/495472172.db2.gz MVPWEDMSLQTEAF-HNNXBMFYSA-N 1 1 351.441 3.122 10 0 FGAEMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)c1nnc2n1CCCC2 ZINC000131098607 495491692 /nfs/dbraw/zinc/49/16/92/495491692.db2.gz XPVVPEHGTIKKSZ-HUUCEWRRSA-N 1 1 353.470 3.153 10 0 FGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000115372545 495496835 /nfs/dbraw/zinc/49/68/35/495496835.db2.gz BWKJTGZFPIGOAG-HKUYNNGSSA-N 1 1 353.466 3.313 10 0 FGAEMO CCCCCOc1cc(C[N@H+]2CC[C@H](N3CCOCC3)C2)ccc1OC ZINC000121035059 495508820 /nfs/dbraw/zinc/50/88/20/495508820.db2.gz KCJPTBCBKBOKSS-IBGZPJMESA-N 1 1 362.514 3.171 10 0 FGAEMO COc1c(Br)c(C)sc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000173439805 495530856 /nfs/dbraw/zinc/53/08/56/495530856.db2.gz XCLKPTQDQGORAI-GXSJLCMTSA-N 1 1 373.316 3.136 10 0 FGAEMO COc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)c(OC2CCCC2)c1 ZINC000176181723 495535372 /nfs/dbraw/zinc/53/53/72/495535372.db2.gz SYBDXKBNALMYAU-KRWDZBQOSA-N 1 1 373.497 3.006 10 0 FGAEMO CCOc1cc(/C=C/C(=O)N2CCC[C@H](n3cc[nH+]c3CC)C2)ccc1O ZINC000179484472 495610319 /nfs/dbraw/zinc/61/03/19/495610319.db2.gz UDVJLRBWDLRMFJ-VMSUTVGLSA-N 1 1 369.465 3.427 10 0 FGAEMO Cc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1NC(=O)c1ccco1 ZINC000159028221 495640119 /nfs/dbraw/zinc/64/01/19/495640119.db2.gz SRZXRJSYOZXEDM-YJBOKZPZSA-N 1 1 369.465 3.299 10 0 FGAEMO CCO[C@@H](CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)C1CCCC1 ZINC000176408710 495640442 /nfs/dbraw/zinc/64/04/42/495640442.db2.gz VBZGHEVUQPQTLI-OALUTQOASA-N 1 1 362.518 3.351 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cnc(Cc2ccccc2F)s1 ZINC000185605858 495641105 /nfs/dbraw/zinc/64/11/05/495641105.db2.gz SDWFJOIVLLPYRX-HNNXBMFYSA-N 1 1 361.486 3.429 10 0 FGAEMO Cc1cc(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)n(Cc2ccccc2)n1 ZINC000150850507 495655336 /nfs/dbraw/zinc/65/53/36/495655336.db2.gz YMNCZJUHEQRNHU-YJBOKZPZSA-N 1 1 355.486 3.090 10 0 FGAEMO O=C1[C@H]([N@@H+]2CC[C@H](CNc3ccccn3)C2)CCCN1c1ccccc1F ZINC000159135391 495666849 /nfs/dbraw/zinc/66/68/49/495666849.db2.gz YFZHFIJEKVWVIX-VQIMIIECSA-N 1 1 368.456 3.150 10 0 FGAEMO O=C1[C@H]([N@H+]2CC[C@H](CNc3ccccn3)C2)CCCN1c1ccccc1F ZINC000159135391 495666853 /nfs/dbraw/zinc/66/68/53/495666853.db2.gz YFZHFIJEKVWVIX-VQIMIIECSA-N 1 1 368.456 3.150 10 0 FGAEMO CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1F ZINC000173744778 495674247 /nfs/dbraw/zinc/67/42/47/495674247.db2.gz RGMYOFOUZXXOQB-GDBMZVCRSA-N 1 1 361.461 3.119 10 0 FGAEMO CCc1c(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cnn1-c1ccccc1C ZINC000185678398 495675764 /nfs/dbraw/zinc/67/57/64/495675764.db2.gz UDWJZJRQOOGFIC-IRXDYDNUSA-N 1 1 352.482 3.052 10 0 FGAEMO C[C@@H]([NH2+]C[C@H]1CC(c2ccc(Cl)cc2)=NO1)c1nnc2ccccn21 ZINC000182731184 495680354 /nfs/dbraw/zinc/68/03/54/495680354.db2.gz GSTXFTVPEVHYAZ-IUODEOHRSA-N 1 1 355.829 3.227 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000185730658 495700711 /nfs/dbraw/zinc/70/07/11/495700711.db2.gz VFOMUCBYWWTXKP-LSDHHAIUSA-N 1 1 373.428 3.092 10 0 FGAEMO C[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)[N@@H+](C)Cc1ccccc1 ZINC000182826686 495718126 /nfs/dbraw/zinc/71/81/26/495718126.db2.gz GYDHBUAZSCGPFB-VQIMIIECSA-N 1 1 355.486 3.167 10 0 FGAEMO Cc1nc(C)c([C@@H](C)[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)s1 ZINC000179805168 495740602 /nfs/dbraw/zinc/74/06/02/495740602.db2.gz MVGQUHKFDDSPFD-ZYHUDNBSSA-N 1 1 361.475 3.366 10 0 FGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)n1 ZINC000151117555 495744316 /nfs/dbraw/zinc/74/43/16/495744316.db2.gz MJYWKWJWWDRWBG-ROUUACIJSA-N 1 1 358.530 3.303 10 0 FGAEMO Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)C3CCCCC3)C2)n1 ZINC000151117555 495744321 /nfs/dbraw/zinc/74/43/21/495744321.db2.gz MJYWKWJWWDRWBG-ROUUACIJSA-N 1 1 358.530 3.303 10 0 FGAEMO 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ZINC000191872360 496916949 /nfs/dbraw/zinc/91/69/49/496916949.db2.gz URVGXHHMMRARRS-UHFFFAOYSA-N 1 1 365.449 3.096 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)Nc2ccccc2F)CC1 ZINC000191872360 496916952 /nfs/dbraw/zinc/91/69/52/496916952.db2.gz URVGXHHMMRARRS-UHFFFAOYSA-N 1 1 365.449 3.096 10 0 FGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000247806239 496917453 /nfs/dbraw/zinc/91/74/53/496917453.db2.gz SSVUVQXZLLJJAO-SJLPKXTDSA-N 1 1 363.889 3.267 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NC2CCCCC2)CC1 ZINC000191982466 496952749 /nfs/dbraw/zinc/95/27/49/496952749.db2.gz NHPQBVUZZWTSKO-KRWDZBQOSA-N 1 1 367.534 3.157 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NC2CCCCC2)CC1 ZINC000191982466 496952754 /nfs/dbraw/zinc/95/27/54/496952754.db2.gz NHPQBVUZZWTSKO-KRWDZBQOSA-N 1 1 367.534 3.157 10 0 FGAEMO CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248156719 496965697 /nfs/dbraw/zinc/96/56/97/496965697.db2.gz RLBACPSAPIUVMZ-XAUMDUMWSA-N 1 1 362.539 3.211 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(Br)cc1 ZINC000248342528 496981713 /nfs/dbraw/zinc/98/17/13/496981713.db2.gz JPUUXUXBTADCLE-SJORKVTESA-N 1 1 365.315 3.467 10 0 FGAEMO CC(C)c1nccc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192268255 497056096 /nfs/dbraw/zinc/05/60/96/497056096.db2.gz ORQXHQJOPYNXHM-MRXNPFEDSA-N 1 1 362.518 3.232 10 0 FGAEMO CC(C)c1nccc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)n1 ZINC000192268255 497056100 /nfs/dbraw/zinc/05/61/00/497056100.db2.gz ORQXHQJOPYNXHM-MRXNPFEDSA-N 1 1 362.518 3.232 10 0 FGAEMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)C1 ZINC000248612343 497056828 /nfs/dbraw/zinc/05/68/28/497056828.db2.gz GVBLLMAZYOJTQQ-KSZLIROESA-N 1 1 360.498 3.306 10 0 FGAEMO CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000248708905 497084292 /nfs/dbraw/zinc/08/42/92/497084292.db2.gz MKRTVYLKHQIHOC-UIFIKXQLSA-N 1 1 357.542 3.056 10 0 FGAEMO 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CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091769 495413381 /nfs/dbraw/zinc/41/33/81/495413381.db2.gz YTKZDKYDWXUYKG-INIZCTEOSA-N 1 1 356.861 3.051 10 0 FGAEMO CCOCC[N@H+]1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)C[C@H]1CC ZINC000106118760 495417092 /nfs/dbraw/zinc/41/70/92/495417092.db2.gz YBOBRHMJQNTANG-FUHWJXTLSA-N 1 1 358.486 3.230 10 0 FGAEMO c1ncn(C[C@H]2CCC[N@H+](Cc3ccc(OCc4ccncc4)cc3)C2)n1 ZINC000106171380 495423181 /nfs/dbraw/zinc/42/31/81/495423181.db2.gz FSRHOWXKVAOQMS-FQEVSTJZSA-N 1 1 363.465 3.164 10 0 FGAEMO CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cn2cncn2)C1)c1ccccc1 ZINC000106175423 495423465 /nfs/dbraw/zinc/42/34/65/495423465.db2.gz GEHKKBOOKKHIQW-BJLQDIEVSA-N 1 1 369.513 3.036 10 0 FGAEMO Fc1ccc(Br)c(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000106171567 495423873 /nfs/dbraw/zinc/42/38/73/495423873.db2.gz CFYLIBWPQUBDGW-LBPRGKRZSA-N 1 1 353.239 3.092 10 0 FGAEMO Fc1ccc(Br)c(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1 ZINC000106171567 495423875 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C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(OCC(F)(F)F)nc1 ZINC000106458531 495458179 /nfs/dbraw/zinc/45/81/79/495458179.db2.gz XWINRGGAQOLXEU-HNNXBMFYSA-N 1 1 367.371 3.134 10 0 FGAEMO Cc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1Oc1ccncc1 ZINC000115385917 495498147 /nfs/dbraw/zinc/49/81/47/495498147.db2.gz ZXNMAKZODNAPLI-WMZOPIPTSA-N 1 1 351.450 3.491 10 0 FGAEMO Cc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)ccc1Oc1cccnc1 ZINC000121037672 495509619 /nfs/dbraw/zinc/50/96/19/495509619.db2.gz LALFNDXAQYXEPD-LJQANCHMSA-N 1 1 353.466 3.089 10 0 FGAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cn1 ZINC000107253780 495524238 /nfs/dbraw/zinc/52/42/38/495524238.db2.gz ODOOPWMKHYLHTL-UHFFFAOYSA-N 1 1 366.509 3.130 10 0 FGAEMO CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4c(c3)CCCC4)CC2)cn1 ZINC000107253780 495524239 /nfs/dbraw/zinc/52/42/39/495524239.db2.gz ODOOPWMKHYLHTL-UHFFFAOYSA-N 1 1 366.509 3.130 10 0 FGAEMO CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000170651718 495546413 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CC(C)n1ncc2cc(C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)c(Cl)nc21 ZINC000128382333 495088457 /nfs/dbraw/zinc/08/84/57/495088457.db2.gz GAZKJVYHCIMEDE-CYBMUJFWSA-N 1 1 358.877 3.389 10 0 FGAEMO C[C@@H](O)CN1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000119142042 495102851 /nfs/dbraw/zinc/10/28/51/495102851.db2.gz RSZMINZRFPCAQV-JKSUJKDBSA-N 1 1 374.447 3.251 10 0 FGAEMO C[C@@H](O)C[N@@H+]1CCN(CCCCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000119142042 495102853 /nfs/dbraw/zinc/10/28/53/495102853.db2.gz RSZMINZRFPCAQV-JKSUJKDBSA-N 1 1 374.447 3.251 10 0 FGAEMO C[C@@H](O)C[N@H+]1CCN(CCCCOc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000119142042 495102857 /nfs/dbraw/zinc/10/28/57/495102857.db2.gz RSZMINZRFPCAQV-JKSUJKDBSA-N 1 1 374.447 3.251 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2)C1 ZINC000128480348 495103080 /nfs/dbraw/zinc/10/30/80/495103080.db2.gz ISUCBNBKPDEJLR-CQSZACIVSA-N 1 1 353.875 3.125 10 0 FGAEMO CCCCOc1ccc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)cc1OC ZINC000128541942 495113909 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371.506 3.270 10 0 FGAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000113267493 495291188 /nfs/dbraw/zinc/29/11/88/495291188.db2.gz ARXRDDWZEVLIIY-WCQYABFASA-N 1 1 373.831 3.048 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(=O)N(C)c3ccccc3)c2)C1 ZINC000104861374 495311111 /nfs/dbraw/zinc/31/11/11/495311111.db2.gz SNSDPPFMELYCJW-LJQANCHMSA-N 1 1 365.477 3.177 10 0 FGAEMO CCOCC[N@@H+]1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)C[C@H]1C ZINC000135643857 495322192 /nfs/dbraw/zinc/32/21/92/495322192.db2.gz XWWIKNGKRNHEPJ-GOSISDBHSA-N 1 1 367.493 3.240 10 0 FGAEMO CCOCC[N@H+]1CCN(C(=O)c2cncc(-c3ccc(C)cc3)c2)C[C@H]1C ZINC000135643857 495322194 /nfs/dbraw/zinc/32/21/94/495322194.db2.gz XWWIKNGKRNHEPJ-GOSISDBHSA-N 1 1 367.493 3.240 10 0 FGAEMO C[N@@H+](Cc1ccc(OCC(F)F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120184974 495323584 /nfs/dbraw/zinc/32/35/84/495323584.db2.gz QZFOUSDSDRIUAN-INIZCTEOSA-N 1 1 362.424 3.221 10 0 FGAEMO CCCC(=O)Nc1cccc(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1C ZINC000105018998 495327603 /nfs/dbraw/zinc/32/76/03/495327603.db2.gz PLCMMPJENIJUPA-INIZCTEOSA-N 1 1 358.486 3.436 10 0 FGAEMO Cc1nc(C[NH+]2CCC(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)CC2)cs1 ZINC000113895948 495333582 /nfs/dbraw/zinc/33/35/82/495333582.db2.gz MUJFDSLQDFFPPK-GOSISDBHSA-N 1 1 373.526 3.140 10 0 FGAEMO COc1ccc2oc(C[N@@H+](C)[C@H]3CCCN(c4cccnn4)C3)cc2c1 ZINC000120266905 495339434 /nfs/dbraw/zinc/33/94/34/495339434.db2.gz XNPRLBQSVUBPBZ-INIZCTEOSA-N 1 1 352.438 3.332 10 0 FGAEMO C[C@H](NC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1cccc(OC(F)F)c1 ZINC000105131576 495339907 /nfs/dbraw/zinc/33/99/07/495339907.db2.gz JLCRIKPSQIKCPL-DZGCQCFKSA-N 1 1 353.413 3.229 10 0 FGAEMO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105190686 495344762 /nfs/dbraw/zinc/34/47/62/495344762.db2.gz PWBUOVGHGRTYOC-ZCNNSNEGSA-N 1 1 357.498 3.034 10 0 FGAEMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000114073426 495347393 /nfs/dbraw/zinc/34/73/93/495347393.db2.gz AYVWZTVKRMXRKP-HNAYVOBHSA-N 1 1 351.450 3.210 10 0 FGAEMO Cn1ccnc1COc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114203115 495353861 /nfs/dbraw/zinc/35/38/61/495353861.db2.gz QLJISRLJUUQGAT-IBGZPJMESA-N 1 1 351.454 3.449 10 0 FGAEMO Cc1ccc(-c2ccc(C[NH+]3CCN(c4ccc5nncn5n4)CC3)o2)cc1 ZINC000120504017 495393773 /nfs/dbraw/zinc/39/37/73/495393773.db2.gz BNLQPHUFSDBOHH-UHFFFAOYSA-N 1 1 374.448 3.015 10 0 FGAEMO Cn1cc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC000136699334 495396192 /nfs/dbraw/zinc/39/61/92/495396192.db2.gz FVVIBFCHWGOOAF-UHFFFAOYSA-N 1 1 369.513 3.457 10 0 FGAEMO Cn1cc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cn1 ZINC000136699334 495396198 /nfs/dbraw/zinc/39/61/98/495396198.db2.gz FVVIBFCHWGOOAF-UHFFFAOYSA-N 1 1 369.513 3.457 10 0 FGAEMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000106077359 495410544 /nfs/dbraw/zinc/41/05/44/495410544.db2.gz SMWYICIDYHBRIU-ZWKOTPCHSA-N 1 1 367.497 3.021 10 0 FGAEMO c1ccc(-n2nc(C[NH+]3CCC(Nc4cccnn4)CC3)c3c2CCC3)cc1 ZINC000106079953 495410949 /nfs/dbraw/zinc/41/09/49/495410949.db2.gz TVTCMZYPYJMGGT-UHFFFAOYSA-N 1 1 374.492 3.228 10 0 FGAEMO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ccc3nncn3n2)CC1 ZINC000106091771 495412689 /nfs/dbraw/zinc/41/26/89/495412689.db2.gz YTKZDKYDWXUYKG-MRXNPFEDSA-N 1 1 356.861 3.051 10 0 FGAEMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(N(C)c2cccnn2)CC1 ZINC000114719446 495414810 /nfs/dbraw/zinc/41/48/10/495414810.db2.gz CCKUTQVOVFVFSU-HNNXBMFYSA-N 1 1 364.453 3.188 10 0 FGAEMO C[N@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000114719408 495415017 /nfs/dbraw/zinc/41/50/17/495415017.db2.gz PDXYBBRBYDDNAS-HNNXBMFYSA-N 1 1 355.467 3.294 10 0 FGAEMO C[N@@H+](Cc1csc(-c2ccco2)n1)[C@H]1CCCN(c2cccnn2)C1 ZINC000114719408 495415019 /nfs/dbraw/zinc/41/50/19/495415019.db2.gz PDXYBBRBYDDNAS-HNNXBMFYSA-N 1 1 355.467 3.294 10 0 FGAEMO CCOCC[N@H+]1CCN(Cc2csc(-c3cccs3)n2)C[C@@H]1C ZINC000106112833 495415448 /nfs/dbraw/zinc/41/54/48/495415448.db2.gz GNKSVIBSEPQXKT-AWEZNQCLSA-N 1 1 351.541 3.414 10 0 FGAEMO CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(Cl)c2C)CC[N@H+]1CCOC ZINC000106114990 495416234 /nfs/dbraw/zinc/41/62/34/495416234.db2.gz QRAOVYLVJIGCFT-JKSUJKDBSA-N 1 1 367.921 3.018 10 0 FGAEMO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2C(C)C)CC[N@H+]1CCOC ZINC000106114997 495416300 /nfs/dbraw/zinc/41/63/00/495416300.db2.gz AFUQJFWZXQVIOV-ROUUACIJSA-N 1 1 361.530 3.180 10 0 FGAEMO C[N@@H+](CCOc1ccccc1Cl)C1CCN(CCn2cccn2)CC1 ZINC000106130772 495418168 /nfs/dbraw/zinc/41/81/68/495418168.db2.gz WPVHIECHTRGKBN-UHFFFAOYSA-N 1 1 362.905 3.012 10 0 FGAEMO c1ncn(C[C@H]2CCC[N@H+](Cc3csc(Cc4ccccc4)n3)C2)n1 ZINC000106172646 495423955 /nfs/dbraw/zinc/42/39/55/495423955.db2.gz JQFPDTAOXOWBBE-KRWDZBQOSA-N 1 1 353.495 3.238 10 0 FGAEMO c1ncn(C[C@H]2CCC[N@@H+](Cc3csc(Cc4ccccc4)n3)C2)n1 ZINC000106172646 495423956 /nfs/dbraw/zinc/42/39/56/495423956.db2.gz JQFPDTAOXOWBBE-KRWDZBQOSA-N 1 1 353.495 3.238 10 0 FGAEMO CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000137205041 495430129 /nfs/dbraw/zinc/43/01/29/495430129.db2.gz OGCKBLNMDKAVBC-KRWDZBQOSA-N 1 1 356.470 3.256 10 0 FGAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000106209768 495430748 /nfs/dbraw/zinc/43/07/48/495430748.db2.gz RWBTYTGHXDYHJN-KRWDZBQOSA-N 1 1 370.522 3.313 10 0 FGAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000106209768 495430752 /nfs/dbraw/zinc/43/07/52/495430752.db2.gz RWBTYTGHXDYHJN-KRWDZBQOSA-N 1 1 370.522 3.313 10 0 FGAEMO COc1ccc(C)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106210720 495431425 /nfs/dbraw/zinc/43/14/25/495431425.db2.gz OJOPFTNJCVUEDT-KRWDZBQOSA-N 1 1 356.470 3.130 10 0 FGAEMO COc1ccc(C)cc1NC(=O)C[N@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000106210720 495431430 /nfs/dbraw/zinc/43/14/30/495431430.db2.gz OJOPFTNJCVUEDT-KRWDZBQOSA-N 1 1 356.470 3.130 10 0 FGAEMO CCc1nccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000106216000 495435209 /nfs/dbraw/zinc/43/52/09/495435209.db2.gz RRWXCPQBJVHFGJ-QRVBRYPASA-N 1 1 358.530 3.264 10 0 FGAEMO CCc1nccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2C)C1 ZINC000106214835 495435308 /nfs/dbraw/zinc/43/53/08/495435308.db2.gz MSPUYQZPSPXRMW-IBGZPJMESA-N 1 1 354.498 3.049 10 0 FGAEMO CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223827 495437840 /nfs/dbraw/zinc/43/78/40/495437840.db2.gz PARWVZFYHBIRDP-VQTJNVASSA-N 1 1 354.498 3.438 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)NCc3ccccc3Cl)C2)c1 ZINC000106223061 495438031 /nfs/dbraw/zinc/43/80/31/495438031.db2.gz YMBRQBGMBOUWCW-DOTOQJQBSA-N 1 1 360.889 3.187 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H](C)C(=O)NCc3ccccc3Cl)C2)c1 ZINC000106223061 495438035 /nfs/dbraw/zinc/43/80/35/495438035.db2.gz YMBRQBGMBOUWCW-DOTOQJQBSA-N 1 1 360.889 3.187 10 0 FGAEMO Cn1cc([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)cn1 ZINC000137493232 495442777 /nfs/dbraw/zinc/44/27/77/495442777.db2.gz BGJPJGYAVJHLKN-ZDUSSCGKSA-N 1 1 366.387 3.257 10 0 FGAEMO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000120755134 495451183 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495683971 /nfs/dbraw/zinc/68/39/71/495683971.db2.gz CRPRSGLAXWXVIH-ZWKOTPCHSA-N 1 1 358.482 3.341 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(Br)cc1 ZINC000176530748 495686478 /nfs/dbraw/zinc/68/64/78/495686478.db2.gz JPUUXUXBTADCLE-IAGOWNOFSA-N 1 1 365.315 3.467 10 0 FGAEMO CCc1nnc(C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)n1C ZINC000179685341 495690432 /nfs/dbraw/zinc/69/04/32/495690432.db2.gz KKMLQLKWLZOSHK-OAHLLOKOSA-N 1 1 351.454 3.202 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C)n(-c2ccccc2Cl)n1 ZINC000179702108 495697307 /nfs/dbraw/zinc/69/73/07/495697307.db2.gz RMZGXABLXYOOHB-HNNXBMFYSA-N 1 1 360.889 3.390 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000173832013 495710856 /nfs/dbraw/zinc/71/08/56/495710856.db2.gz SDRAMKXXAZFBEK-NWDGAFQWSA-N 1 1 363.310 3.241 10 0 FGAEMO CC(C)c1cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2ccccc2n1 ZINC000173965195 495767722 /nfs/dbraw/zinc/76/77/22/495767722.db2.gz WWFWZQSBBYTKMR-HRAATJIYSA-N 1 1 367.493 3.151 10 0 FGAEMO Cn1c(=O)c2ccccc2nc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000173969543 495768981 /nfs/dbraw/zinc/76/89/81/495768981.db2.gz FJTLTSOXOWGKST-PXNSSMCTSA-N 1 1 363.461 3.022 10 0 FGAEMO Cn1c(=O)c2ccccc2nc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000173969543 495768984 /nfs/dbraw/zinc/76/89/84/495768984.db2.gz FJTLTSOXOWGKST-PXNSSMCTSA-N 1 1 363.461 3.022 10 0 FGAEMO COC(=O)C1CCC(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000179911396 495779514 /nfs/dbraw/zinc/77/95/14/495779514.db2.gz JYYUZIAEPWZQFB-KVULBXGLSA-N 1 1 366.889 3.038 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(NC(=O)C2CC2)c1 ZINC000176840494 495806574 /nfs/dbraw/zinc/80/65/74/495806574.db2.gz PPBMLFWSHNEZLA-SFHVURJKSA-N 1 1 367.453 3.237 10 0 FGAEMO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cccc(Br)c1 ZINC000151328856 495806698 /nfs/dbraw/zinc/80/66/98/495806698.db2.gz QVURCFQXTNSJOD-IAGOWNOFSA-N 1 1 355.320 3.337 10 0 FGAEMO Cc1nc([C@H]2CN(CCCOc3ccc(C(C)(C)C)cc3)CCO2)n[nH]1 ZINC000174097785 495819340 /nfs/dbraw/zinc/81/93/40/495819340.db2.gz MQGIOZVRFGGGGT-GOSISDBHSA-N 1 1 358.486 3.253 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C(C)C)C2)no1 ZINC000171405508 495858365 /nfs/dbraw/zinc/85/83/65/495858365.db2.gz JUUYYYKOAARXIF-DYESRHJHSA-N 1 1 370.497 3.146 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N[C@@H](c3ccccc3)C(C)C)C2)no1 ZINC000171405508 495858372 /nfs/dbraw/zinc/85/83/72/495858372.db2.gz JUUYYYKOAARXIF-DYESRHJHSA-N 1 1 370.497 3.146 10 0 FGAEMO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171405710 495859804 /nfs/dbraw/zinc/85/98/04/495859804.db2.gz WUUXOHGKPICDHI-QAPCUYQASA-N 1 1 372.469 3.058 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 ZINC000176974777 495866537 /nfs/dbraw/zinc/86/65/37/495866537.db2.gz PNGTYPUOBGNYSR-KRWDZBQOSA-N 1 1 369.465 3.397 10 0 FGAEMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C[C@@H]1C ZINC000174324157 495909847 /nfs/dbraw/zinc/90/98/47/495909847.db2.gz MGEOPXPWDGEJBG-LSDHHAIUSA-N 1 1 374.431 3.159 10 0 FGAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)C[C@@H]1C ZINC000174324157 495909849 /nfs/dbraw/zinc/90/98/49/495909849.db2.gz MGEOPXPWDGEJBG-LSDHHAIUSA-N 1 1 374.431 3.159 10 0 FGAEMO O=S(=O)(CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000174381610 495935147 /nfs/dbraw/zinc/93/51/47/495935147.db2.gz PARNOBNKJZXMHA-ICSRJNTNSA-N 1 1 359.491 3.048 10 0 FGAEMO O=S(=O)(CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000174381610 495935151 /nfs/dbraw/zinc/93/51/51/495935151.db2.gz PARNOBNKJZXMHA-ICSRJNTNSA-N 1 1 359.491 3.048 10 0 FGAEMO C[C@H](NC(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccs1 ZINC000171587501 495938297 /nfs/dbraw/zinc/93/82/97/495938297.db2.gz VAMNKXJKTNTYLQ-WCVJEAGWSA-N 1 1 351.516 3.092 10 0 FGAEMO CCn1cnnc1C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000155393115 495943714 /nfs/dbraw/zinc/94/37/14/495943714.db2.gz IPDLAWPUBKXBCC-MRXNPFEDSA-N 1 1 355.486 3.121 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCCc1nc2ccccc2[nH]1 ZINC000177154227 495951583 /nfs/dbraw/zinc/95/15/83/495951583.db2.gz VHPMAMZBVYWOKU-INIZCTEOSA-N 1 1 351.454 3.082 10 0 FGAEMO CCc1noc(-c2ccc(C)c(NC(=O)N[C@H]3CCC[N@H+](CC)C3)c2)n1 ZINC000177157919 495953001 /nfs/dbraw/zinc/95/30/01/495953001.db2.gz COGACEZCQKGMSS-HNNXBMFYSA-N 1 1 357.458 3.213 10 0 FGAEMO Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3C)cc2)n1 ZINC000177163839 495954922 /nfs/dbraw/zinc/95/49/22/495954922.db2.gz HPVVCGNITOSETP-FQEVSTJZSA-N 1 1 363.465 3.299 10 0 FGAEMO O=C(C[N@H+]1CC[C@H](CNc2ccccn2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000171643273 495962730 /nfs/dbraw/zinc/96/27/30/495962730.db2.gz VIKHZJPAMGLBIO-VGSWGCGISA-N 1 1 364.493 3.083 10 0 FGAEMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644627 495963812 /nfs/dbraw/zinc/96/38/12/495963812.db2.gz SLCANKPSBWDWPW-IAGOWNOFSA-N 1 1 368.481 3.241 10 0 FGAEMO c1ccc(-c2noc(CCC[N@H+]3CC[C@H](CNc4ccccn4)C3)n2)cc1 ZINC000171645142 495964130 /nfs/dbraw/zinc/96/41/30/495964130.db2.gz YCURUGGSYKJKMN-QGZVFWFLSA-N 1 1 363.465 3.498 10 0 FGAEMO Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000171652439 495971823 /nfs/dbraw/zinc/97/18/23/495971823.db2.gz ILMXPEPTPZYVRA-PKOBYXMFSA-N 1 1 358.530 3.209 10 0 FGAEMO Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NCC3CCCCC3)C2)n1 ZINC000171652439 495971825 /nfs/dbraw/zinc/97/18/25/495971825.db2.gz ILMXPEPTPZYVRA-PKOBYXMFSA-N 1 1 358.530 3.209 10 0 FGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c(C)c3ccccc3oc2=O)C1 ZINC000177200323 495973052 /nfs/dbraw/zinc/97/30/52/495973052.db2.gz WBFZVPCNVDJIJE-HNNXBMFYSA-N 1 1 365.433 3.338 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(Oc2cnccn2)c1 ZINC000177211023 495978042 /nfs/dbraw/zinc/97/80/42/495978042.db2.gz BYMIXBCFMKDAOS-KRWDZBQOSA-N 1 1 363.421 3.079 10 0 FGAEMO Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C)[C@H](N4CCOCC4)C3)cs2)cc1 ZINC000177241201 495991322 /nfs/dbraw/zinc/99/13/22/495991322.db2.gz XQQQUMOTUXZJPH-QFBILLFUSA-N 1 1 357.523 3.271 10 0 FGAEMO CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177246772 495992347 /nfs/dbraw/zinc/99/23/47/495992347.db2.gz JYCPWSOZOFKDHU-NRFANRHFSA-N 1 1 357.542 3.073 10 0 FGAEMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)CCS1 ZINC000171695000 495992531 /nfs/dbraw/zinc/99/25/31/495992531.db2.gz YKWLMLFQVDRFOP-JTQLQIEISA-N 1 1 361.280 3.354 10 0 FGAEMO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1NC(=O)CC(C)C ZINC000155559217 495994994 /nfs/dbraw/zinc/99/49/94/495994994.db2.gz MLJVDIORVZLHMI-QFBILLFUSA-N 1 1 359.514 3.438 10 0 FGAEMO COc1ccc(SCCC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1OC ZINC000155570973 495998694 /nfs/dbraw/zinc/99/86/94/495998694.db2.gz AZGKFOYQDZDDDW-HOCLYGCPSA-N 1 1 366.527 3.031 10 0 FGAEMO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000180460906 496004997 /nfs/dbraw/zinc/00/49/97/496004997.db2.gz ZYNCNTOUYRVKHX-IBGZPJMESA-N 1 1 368.525 3.113 10 0 FGAEMO C[C@@H](CCCc1ccccc1)C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000180460906 496005001 /nfs/dbraw/zinc/00/50/01/496005001.db2.gz ZYNCNTOUYRVKHX-IBGZPJMESA-N 1 1 368.525 3.113 10 0 FGAEMO CC(C)[N@@H+]1C[C@H](NC(=O)COc2ccc(Oc3ccccn3)cc2)[C@@H](C)C1 ZINC000155660620 496027943 /nfs/dbraw/zinc/02/79/43/496027943.db2.gz VDRREAMECUCIIE-LPHOPBHVSA-N 1 1 369.465 3.098 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccnc(OC2CCCC2)c1 ZINC000177363399 496032261 /nfs/dbraw/zinc/03/22/61/496032261.db2.gz GCBZLBZSSBRVDR-QGZVFWFLSA-N 1 1 360.502 3.029 10 0 FGAEMO O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171906054 496085380 /nfs/dbraw/zinc/08/53/80/496085380.db2.gz LFYQOUMJAUEDEJ-QGZVFWFLSA-N 1 1 370.428 3.003 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(Br)cc1 ZINC000177495109 496085787 /nfs/dbraw/zinc/08/57/87/496085787.db2.gz LXACKYHAJVOXTM-OAHLLOKOSA-N 1 1 354.292 3.075 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc(OC(C)C)nc2)C1 ZINC000152229527 496086459 /nfs/dbraw/zinc/08/64/59/496086459.db2.gz QKDXFNPZPYBBRF-QGZVFWFLSA-N 1 1 371.485 3.174 10 0 FGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000183784643 496116561 /nfs/dbraw/zinc/11/65/61/496116561.db2.gz PBZQSMADGKJXCQ-CZUORRHYSA-N 1 1 359.470 3.182 10 0 FGAEMO Cc1cc(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)nn1-c1cccc(F)c1 ZINC000180718694 496117376 /nfs/dbraw/zinc/11/73/76/496117376.db2.gz BFQMPVYWHSQABR-SUMWQHHRSA-N 1 1 359.449 3.170 10 0 FGAEMO COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000186758012 496137656 /nfs/dbraw/zinc/13/76/56/496137656.db2.gz FTXQOULQFAPOEV-KRWDZBQOSA-N 1 1 363.465 3.261 10 0 FGAEMO CCN(c1ccc(NC(=O)C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1)C(C)C ZINC000172053335 496143490 /nfs/dbraw/zinc/14/34/90/496143490.db2.gz MIAYUVVIRNXMIX-KRWDZBQOSA-N 1 1 369.513 3.083 10 0 FGAEMO CCN(c1ccc(NC(=O)C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1)C(C)C ZINC000172053335 496143493 /nfs/dbraw/zinc/14/34/93/496143493.db2.gz MIAYUVVIRNXMIX-KRWDZBQOSA-N 1 1 369.513 3.083 10 0 FGAEMO CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000177661110 496150216 /nfs/dbraw/zinc/15/02/16/496150216.db2.gz TXJPNIUWEFRCLE-QGZVFWFLSA-N 1 1 368.481 3.200 10 0 FGAEMO Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1-n1cncn1 ZINC000180808415 496154910 /nfs/dbraw/zinc/15/49/10/496154910.db2.gz LOBGXNMPIHMRGG-OXQOHEQNSA-N 1 1 370.403 3.162 10 0 FGAEMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)ccc1-n1cncn1 ZINC000180808415 496154914 /nfs/dbraw/zinc/15/49/14/496154914.db2.gz LOBGXNMPIHMRGG-OXQOHEQNSA-N 1 1 370.403 3.162 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2CC(=O)OC(C)(C)C)C1 ZINC000174905659 496159140 /nfs/dbraw/zinc/15/91/40/496159140.db2.gz MENBIPOQRJQZLM-MRXNPFEDSA-N 1 1 361.486 3.177 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000177698977 496163381 /nfs/dbraw/zinc/16/33/81/496163381.db2.gz JTRVTQBPPDOJHQ-UONOGXRCSA-N 1 1 355.429 3.031 10 0 FGAEMO CCOc1c(Cl)cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2CC)cc1OC ZINC000175008430 496204489 /nfs/dbraw/zinc/20/44/89/496204489.db2.gz HAIACFSWICXWAL-HUUCEWRRSA-N 1 1 366.889 3.446 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1c(Cl)cccc1Cl ZINC000175032044 496217577 /nfs/dbraw/zinc/21/75/77/496217577.db2.gz KCBZWVGXTPNKMG-CHWSQXEVSA-N 1 1 356.297 3.491 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCc2ccccc2)c1 ZINC000175040688 496222168 /nfs/dbraw/zinc/22/21/68/496222168.db2.gz QERDKQDCPZUCHM-VQTJNVASSA-N 1 1 365.477 3.359 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1nc(-c2ccsc2)oc1C ZINC000175045746 496224205 /nfs/dbraw/zinc/22/42/05/496224205.db2.gz RBRVNVZRXHOQQD-HZPDHXFCSA-N 1 1 359.495 3.339 10 0 FGAEMO O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(Cn2cccn2)CC1 ZINC000175068304 496234849 /nfs/dbraw/zinc/23/48/49/496234849.db2.gz IWPHJAWLWKNPDU-OAQYLSRUSA-N 1 1 366.509 3.176 10 0 FGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OC(F)F)c3cccnc23)C1 ZINC000186973094 496235179 /nfs/dbraw/zinc/23/51/79/496235179.db2.gz YPBGCWYRPAOFGZ-LBPRGKRZSA-N 1 1 364.396 3.442 10 0 FGAEMO C[C@@H](O)C[N@H+]1CCN(C(=O)Cc2csc3ccc(Cl)cc23)C[C@H]1C ZINC000156424783 496242132 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/nfs/dbraw/zinc/50/47/09/495504709.db2.gz ZCLGIOAABDJUKU-FQEVSTJZSA-N 1 1 368.525 3.076 10 0 FGAEMO CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000121024088 495506127 /nfs/dbraw/zinc/50/61/27/495506127.db2.gz MLQCKEHKJWFCQE-MPGHIAIKSA-N 1 1 360.502 3.065 10 0 FGAEMO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000131227755 495509329 /nfs/dbraw/zinc/50/93/29/495509329.db2.gz IUIABBORCPNXHT-QHAWAJNXSA-N 1 1 358.526 3.267 10 0 FGAEMO O=C(N1CC[N@@H+]2CCCC[C@H]2C1)C1(c2ccccc2Cl)CCOCC1 ZINC000107132615 495522677 /nfs/dbraw/zinc/52/26/77/495522677.db2.gz NEWCQOYBGDJWGI-INIZCTEOSA-N 1 1 362.901 3.085 10 0 FGAEMO O=C(N1CC[N@H+]2CCCC[C@H]2C1)C1(c2ccccc2Cl)CCOCC1 ZINC000107132615 495522678 /nfs/dbraw/zinc/52/26/78/495522678.db2.gz NEWCQOYBGDJWGI-INIZCTEOSA-N 1 1 362.901 3.085 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCCC(=O)OC(C)(C)C ZINC000173444679 495532925 /nfs/dbraw/zinc/53/29/25/495532925.db2.gz XVCDSZWLAYFTCM-DLBZAZTESA-N 1 1 367.534 3.157 10 0 FGAEMO C[C@@H](NC(=O)N(C)CCC[NH+]1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 ZINC000182411836 495553809 /nfs/dbraw/zinc/55/38/09/495553809.db2.gz QGQJDIZUGUTQGR-GOSISDBHSA-N 1 1 374.573 3.324 10 0 FGAEMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)C12CCCC2 ZINC000173522707 495571842 /nfs/dbraw/zinc/57/18/42/495571842.db2.gz FJPBFQRQIGIXFY-RBUKOAKNSA-N 1 1 373.497 3.253 10 0 FGAEMO Cn1cc(CN2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)CC2)cn1 ZINC000185511228 495604650 /nfs/dbraw/zinc/60/46/50/495604650.db2.gz LYYNAPOFHMABTI-UHFFFAOYSA-N 1 1 358.452 3.297 10 0 FGAEMO CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)cc2)[C@@H](C)C1 ZINC000176335956 495606177 /nfs/dbraw/zinc/60/61/77/495606177.db2.gz ZRBVGFOHUOCHJQ-WFASDCNBSA-N 1 1 359.392 3.478 10 0 FGAEMO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2nc(C3CC3)no2)N2CCOCC2)s1 ZINC000173645505 495630444 /nfs/dbraw/zinc/63/04/44/495630444.db2.gz AATZPGZJJYENCA-DZGCQCFKSA-N 1 1 362.499 3.041 10 0 FGAEMO Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000154556941 495653783 /nfs/dbraw/zinc/65/37/83/495653783.db2.gz HSDISJLHXGCNAC-QZTJIDSGSA-N 1 1 367.415 3.278 10 0 FGAEMO CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000154573001 495657933 /nfs/dbraw/zinc/65/79/33/495657933.db2.gz RHBSJRDXZBMIOR-CRAIPNDOSA-N 1 1 356.470 3.082 10 0 FGAEMO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccc(Cl)cc2C)CC[N@H+]1CCOC ZINC000170940570 495661025 /nfs/dbraw/zinc/66/10/25/495661025.db2.gz JGSRTXQTXOXSCD-RDJZCZTQSA-N 1 1 367.921 3.018 10 0 FGAEMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CSCC(=O)c1ccccc1 ZINC000179712004 495701379 /nfs/dbraw/zinc/70/13/79/495701379.db2.gz KTVPRNUJXVXWAM-KRWDZBQOSA-N 1 1 370.518 3.239 10 0 FGAEMO C[C@@H]1CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000173822331 495707526 /nfs/dbraw/zinc/70/75/26/495707526.db2.gz CJGBLLAWIQYDFG-YLJYHZDGSA-N 1 1 358.526 3.096 10 0 FGAEMO COc1c(Br)c(C)sc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000173889127 495734142 /nfs/dbraw/zinc/73/41/42/495734142.db2.gz IBYNPRKKVSNJAS-LLVKDONJSA-N 1 1 373.316 3.138 10 0 FGAEMO COc1c(Br)c(C)sc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000173889127 495734149 /nfs/dbraw/zinc/73/41/49/495734149.db2.gz IBYNPRKKVSNJAS-LLVKDONJSA-N 1 1 373.316 3.138 10 0 FGAEMO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151095134 495735826 /nfs/dbraw/zinc/73/58/26/495735826.db2.gz CZYVEEHLHOPLRI-SNVBAGLBSA-N 1 1 370.824 3.121 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000151095134 495735829 /nfs/dbraw/zinc/73/58/29/495735829.db2.gz CZYVEEHLHOPLRI-SNVBAGLBSA-N 1 1 370.824 3.121 10 0 FGAEMO Cc1nc(C)c([C@H](C)[NH2+][C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)s1 ZINC000179805156 495739944 /nfs/dbraw/zinc/73/99/44/495739944.db2.gz MVGQUHKFDDSPFD-JQWIXIFHSA-N 1 1 361.475 3.366 10 0 FGAEMO O=C(Nc1ccc(F)cc1Br)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000154829704 495741483 /nfs/dbraw/zinc/74/14/83/495741483.db2.gz YJPNSKCVSLSIHI-LBPRGKRZSA-N 1 1 356.239 3.290 10 0 FGAEMO c1ccc(Oc2ccc(OCC[N@H+]3CC[C@@H](N4CCOCC4)C3)cc2)cc1 ZINC000173905658 495741774 /nfs/dbraw/zinc/74/17/74/495741774.db2.gz ORGFPLUDZVIRPI-LJQANCHMSA-N 1 1 368.477 3.264 10 0 FGAEMO COc1ccc([C@H](C)[NH2+][C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1 ZINC000179812817 495745289 /nfs/dbraw/zinc/74/52/89/495745289.db2.gz KYLOIVJHUKWCCI-SWLSCSKDSA-N 1 1 356.430 3.301 10 0 FGAEMO C[C@@H]1CCC[N@H+]1C1CCN(c2cc(-c3ccccc3)nc3ncnn32)CC1 ZINC000154919357 495772228 /nfs/dbraw/zinc/77/22/28/495772228.db2.gz XQJZAORPFMABFV-MRXNPFEDSA-N 1 1 362.481 3.244 10 0 FGAEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c2cc(Br)ccc2n1 ZINC000171279024 495802222 /nfs/dbraw/zinc/80/22/22/495802222.db2.gz QXUNPSNPMPZCNI-AWEZNQCLSA-N 1 1 374.282 3.226 10 0 FGAEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000151312997 495802583 /nfs/dbraw/zinc/80/25/83/495802583.db2.gz YIVAHZUXTUWPGW-WMLDXEAASA-N 1 1 370.884 3.414 10 0 FGAEMO Cc1nc([C@@H]2CN(CCCOc3ccc(C(C)(C)C)cc3)CCO2)n[nH]1 ZINC000174097770 495819385 /nfs/dbraw/zinc/81/93/85/495819385.db2.gz MQGIOZVRFGGGGT-SFHVURJKSA-N 1 1 358.486 3.253 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)no1 ZINC000171405043 495858867 /nfs/dbraw/zinc/85/88/67/495858867.db2.gz SHBGGPAFVQIJJV-DOTOQJQBSA-N 1 1 356.470 3.277 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3ccc(C)c(C)c3)C2)no1 ZINC000171405043 495858870 /nfs/dbraw/zinc/85/88/70/495858870.db2.gz SHBGGPAFVQIJJV-DOTOQJQBSA-N 1 1 356.470 3.277 10 0 FGAEMO Cn1cc([C@@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000171410627 495862735 /nfs/dbraw/zinc/86/27/35/495862735.db2.gz IZGBCTUGQWMDFV-HOCLYGCPSA-N 1 1 370.280 3.304 10 0 FGAEMO Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)COc2ccc(Cl)cc2Cl)cn1 ZINC000171410632 495863046 /nfs/dbraw/zinc/86/30/46/495863046.db2.gz IZGBCTUGQWMDFV-GOEBONIOSA-N 1 1 370.280 3.304 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000176989058 495872255 /nfs/dbraw/zinc/87/22/55/495872255.db2.gz FNXTTXZFQSNSCS-QGZVFWFLSA-N 1 1 360.889 3.390 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2OC(F)F)C1 ZINC000174233378 495875145 /nfs/dbraw/zinc/87/51/45/495875145.db2.gz GSCAYYNZYSCIML-CYBMUJFWSA-N 1 1 361.820 3.225 10 0 FGAEMO CC(=O)Nc1cccc([C@H](C)NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000151577248 495884155 /nfs/dbraw/zinc/88/41/55/495884155.db2.gz LRDYFVJAJAJXTR-HNAYVOBHSA-N 1 1 360.502 3.126 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000177018123 495884978 /nfs/dbraw/zinc/88/49/78/495884978.db2.gz YUSKTOVROJNCON-OAHLLOKOSA-N 1 1 359.445 3.356 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)C1 ZINC000171479429 495895390 /nfs/dbraw/zinc/89/53/90/495895390.db2.gz VPJWHFLYNZVYFC-QFBILLFUSA-N 1 1 367.493 3.445 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(-c2ccccc2)c1C1CC1 ZINC000177040197 495895819 /nfs/dbraw/zinc/89/58/19/495895819.db2.gz CFWSIINQHSSRTM-GOSISDBHSA-N 1 1 352.482 3.306 10 0 FGAEMO CC(C)=CCSc1ccccc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174331692 495913984 /nfs/dbraw/zinc/91/39/84/495913984.db2.gz ZXYNFSHSDXSGTR-IAGOWNOFSA-N 1 1 362.539 3.272 10 0 FGAEMO CC(C)=CCSc1ccccc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174331692 495913989 /nfs/dbraw/zinc/91/39/89/495913989.db2.gz ZXYNFSHSDXSGTR-IAGOWNOFSA-N 1 1 362.539 3.272 10 0 FGAEMO Cc1cc(C[N@@H+]2C[C@@H](C)[C@H](N3CCOCC3)C2)c(OC(F)F)cc1C ZINC000180235194 495919913 /nfs/dbraw/zinc/91/99/13/495919913.db2.gz MAZLHQMDXODHSM-NVXWUHKLSA-N 1 1 354.441 3.057 10 0 FGAEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000177120751 495935385 /nfs/dbraw/zinc/93/53/85/495935385.db2.gz SVSFDAKDOLSEMU-TZMCWYRMSA-N 1 1 370.419 3.472 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)c1 ZINC000177143023 495945503 /nfs/dbraw/zinc/94/55/03/495945503.db2.gz QQPISCQRSRTLOP-QZTJIDSGSA-N 1 1 358.873 3.287 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)c1 ZINC000177143023 495945507 /nfs/dbraw/zinc/94/55/07/495945507.db2.gz QQPISCQRSRTLOP-QZTJIDSGSA-N 1 1 358.873 3.287 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2c(c1)CCC2 ZINC000177143773 495947524 /nfs/dbraw/zinc/94/75/24/495947524.db2.gz IUOCGVAOAIEAGY-FQEVSTJZSA-N 1 1 365.477 3.334 10 0 FGAEMO CCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000177143829 495947547 /nfs/dbraw/zinc/94/75/47/495947547.db2.gz LGRIDWFYNIYOAU-IBGZPJMESA-N 1 1 353.466 3.408 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Cn1ccc2ccc(Cl)cc21 ZINC000177154885 495951925 /nfs/dbraw/zinc/95/19/25/495951925.db2.gz GCBYHEDNWOIQQD-KRWDZBQOSA-N 1 1 356.857 3.491 10 0 FGAEMO CCOCC[N@@H+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@@H]1C ZINC000177179200 495962014 /nfs/dbraw/zinc/96/20/14/495962014.db2.gz SGVDLRWNKLFSGL-AWEZNQCLSA-N 1 1 372.469 3.280 10 0 FGAEMO CCOCC[N@H+]1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)C[C@@H]1C ZINC000177179200 495962024 /nfs/dbraw/zinc/96/20/24/495962024.db2.gz SGVDLRWNKLFSGL-AWEZNQCLSA-N 1 1 372.469 3.280 10 0 FGAEMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171643046 495962492 /nfs/dbraw/zinc/96/24/92/495962492.db2.gz KNHUCKUCHFQJHM-IPMKNSEASA-N 1 1 366.509 3.390 10 0 FGAEMO C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171647608 495966113 /nfs/dbraw/zinc/96/61/13/495966113.db2.gz MIQAUOZSIXDDRK-HUUCEWRRSA-N 1 1 358.873 3.496 10 0 FGAEMO Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177184873 495966358 /nfs/dbraw/zinc/96/63/58/495966358.db2.gz LKIRCRZZZQCUNK-SFTDATJTSA-N 1 1 366.509 3.095 10 0 FGAEMO Cc1cc(C)c(NC(=O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c(C)c1 ZINC000171647802 495966512 /nfs/dbraw/zinc/96/65/12/495966512.db2.gz XEOLCZNNIKWWEB-GOSISDBHSA-N 1 1 352.482 3.379 10 0 FGAEMO Cc1cc(C)c(NC(=O)C[N@H+]2CC[C@H](CNc3ccccn3)C2)c(C)c1 ZINC000171647802 495966518 /nfs/dbraw/zinc/96/65/18/495966518.db2.gz XEOLCZNNIKWWEB-GOSISDBHSA-N 1 1 352.482 3.379 10 0 FGAEMO Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171648143 495966614 /nfs/dbraw/zinc/96/66/14/495966614.db2.gz XTKIVRSHSQPYQV-OAHLLOKOSA-N 1 1 358.873 3.416 10 0 FGAEMO Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171648143 495966620 /nfs/dbraw/zinc/96/66/20/495966620.db2.gz XTKIVRSHSQPYQV-OAHLLOKOSA-N 1 1 358.873 3.416 10 0 FGAEMO Cc1cccc(NC[C@H]2CC[N@@H+](CCCOc3ccc4c(c3)OCO4)C2)n1 ZINC000171648491 495968025 /nfs/dbraw/zinc/96/80/25/495968025.db2.gz YNSRILAPINEUGR-QGZVFWFLSA-N 1 1 369.465 3.322 10 0 FGAEMO C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000177233217 495987206 /nfs/dbraw/zinc/98/72/06/495987206.db2.gz WFZRJUZVLBARKJ-XHDPSFHLSA-N 1 1 358.269 3.178 10 0 FGAEMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000177233202 495987249 /nfs/dbraw/zinc/98/72/49/495987249.db2.gz WFZRJUZVLBARKJ-IAQYHMDHSA-N 1 1 358.269 3.178 10 0 FGAEMO c1ccc(OCc2nc(CNC3CC[NH+](C4CCCCC4)CC3)n[nH]2)cc1 ZINC000186424344 495993811 /nfs/dbraw/zinc/99/38/11/495993811.db2.gz CHEJBPYMWDWGNW-UHFFFAOYSA-N 1 1 369.513 3.270 10 0 FGAEMO CCn1cnnc1[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000152057947 496035002 /nfs/dbraw/zinc/03/50/02/496035002.db2.gz IJTGZIIITXMCKE-CQSZACIVSA-N 1 1 372.423 3.142 10 0 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3.248 10 0 FGAEMO C[N@@H+](C[C@@H](O)COC(c1ccccc1)c1ccccc1)C[C@@H]1CCOC1 ZINC000247136420 496789885 /nfs/dbraw/zinc/78/98/85/496789885.db2.gz SPHHRFPXMUKLRN-GHTZIAJQSA-N 1 1 355.478 3.122 10 0 FGAEMO CC[C@H]1COCC[N@H+]1C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000247211166 496805842 /nfs/dbraw/zinc/80/58/42/496805842.db2.gz MIWDCIZWLVHWDI-LEWJYISDSA-N 1 1 355.478 3.264 10 0 FGAEMO O=C(CCCc1ncc(-c2ccccc2)o1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195058161 496806932 /nfs/dbraw/zinc/80/69/32/496806932.db2.gz ASRKNTKRUNSPDX-SFHVURJKSA-N 1 1 353.466 3.361 10 0 FGAEMO CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000247222030 496809286 /nfs/dbraw/zinc/80/92/86/496809286.db2.gz VRQHBPVGRYYUAB-JCGIZDLHSA-N 1 1 350.890 3.013 10 0 FGAEMO CCOCC[N@H+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)C[C@@H]1C ZINC000247222030 496809289 /nfs/dbraw/zinc/80/92/89/496809289.db2.gz VRQHBPVGRYYUAB-JCGIZDLHSA-N 1 1 350.890 3.013 10 0 FGAEMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247229059 496810487 /nfs/dbraw/zinc/81/04/87/496810487.db2.gz WWQMEAMBOURGEK-RCZSKKKRSA-N 1 1 374.500 3.334 10 0 FGAEMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247229059 496810490 /nfs/dbraw/zinc/81/04/90/496810490.db2.gz WWQMEAMBOURGEK-RCZSKKKRSA-N 1 1 374.500 3.334 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)COc2ccc(Cl)c3cccnc23)C1 ZINC000247325921 496835310 /nfs/dbraw/zinc/83/53/10/496835310.db2.gz MSMVBWSHULNFLV-XJKSGUPXSA-N 1 1 361.873 3.112 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2ccc(Br)s2)C1 ZINC000247377081 496847001 /nfs/dbraw/zinc/84/70/01/496847001.db2.gz POCGVGKEGZEKFP-SDDRHHMPSA-N 1 1 359.333 3.459 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc(Br)cs2)C1 ZINC000247396506 496850196 /nfs/dbraw/zinc/85/01/96/496850196.db2.gz QTQAGTYGFGLMIJ-ZWNOBZJWSA-N 1 1 360.321 3.039 10 0 FGAEMO Cc1cnn([C@H]2CCCN(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)C2)c1 ZINC000247476421 496867122 /nfs/dbraw/zinc/86/71/22/496867122.db2.gz IGMLBJSJHQLBEQ-MJGOQNOKSA-N 1 1 361.534 3.050 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H]2CCSc3ccc(F)cc32)C1 ZINC000247511387 496876462 /nfs/dbraw/zinc/87/64/62/496876462.db2.gz YKIKQEBRKBOSCA-UHOFOFEASA-N 1 1 351.491 3.391 10 0 FGAEMO C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000195294388 496878141 /nfs/dbraw/zinc/87/81/41/496878141.db2.gz YXPGLBUWZMHMDE-SFHVURJKSA-N 1 1 363.465 3.086 10 0 FGAEMO COc1ccccc1CCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195295471 496879432 /nfs/dbraw/zinc/87/94/32/496879432.db2.gz KLDLNCYXVOLPCE-HXUWFJFHSA-N 1 1 353.510 3.477 10 0 FGAEMO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000195295010 496879554 /nfs/dbraw/zinc/87/95/54/496879554.db2.gz NTJSFVFAXIQPON-KRWDZBQOSA-N 1 1 354.454 3.157 10 0 FGAEMO Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300909 496881463 /nfs/dbraw/zinc/88/14/63/496881463.db2.gz WBOSYNXLOOMPAF-UYAOXDASSA-N 1 1 366.509 3.171 10 0 FGAEMO O=C(COC(c1ccccc1)c1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000195317225 496887040 /nfs/dbraw/zinc/88/70/40/496887040.db2.gz PWIKPCHINXTGOY-HXUWFJFHSA-N 1 1 350.462 3.099 10 0 FGAEMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247598346 496894695 /nfs/dbraw/zinc/89/46/95/496894695.db2.gz KPXJVMASIOJRIU-CRAIPNDOSA-N 1 1 355.486 3.067 10 0 FGAEMO CCc1cccc(CC)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247598346 496894698 /nfs/dbraw/zinc/89/46/98/496894698.db2.gz KPXJVMASIOJRIU-CRAIPNDOSA-N 1 1 355.486 3.067 10 0 FGAEMO O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195365940 496902548 /nfs/dbraw/zinc/90/25/48/496902548.db2.gz NWQZJVIKPSTZSC-INIZCTEOSA-N 1 1 355.463 3.356 10 0 FGAEMO O=C1c2ccccc2C(=O)N1CCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000195365940 496902553 /nfs/dbraw/zinc/90/25/53/496902553.db2.gz NWQZJVIKPSTZSC-INIZCTEOSA-N 1 1 355.463 3.356 10 0 FGAEMO O[C@H](COCc1ccccc1F)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195403755 496914264 /nfs/dbraw/zinc/91/42/64/496914264.db2.gz JBMMRXPSTIRDSE-DOTOQJQBSA-N 1 1 350.459 3.387 10 0 FGAEMO O[C@H](COCc1ccccc1F)C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000195403755 496914270 /nfs/dbraw/zinc/91/42/70/496914270.db2.gz JBMMRXPSTIRDSE-DOTOQJQBSA-N 1 1 350.459 3.387 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2csc(C(C)(C)C)n2)C1 ZINC000247800503 496916486 /nfs/dbraw/zinc/91/64/86/496916486.db2.gz UXQGXWTZAIDTJD-UKRRQHHQSA-N 1 1 352.548 3.011 10 0 FGAEMO C[C@@H](Cc1ccccc1)C(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191902546 496925369 /nfs/dbraw/zinc/92/53/69/496925369.db2.gz NGFZJWUPQOFOHB-KRWDZBQOSA-N 1 1 374.525 3.130 10 0 FGAEMO C[C@@H](Cc1ccccc1)C(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000191902546 496925377 /nfs/dbraw/zinc/92/53/77/496925377.db2.gz NGFZJWUPQOFOHB-KRWDZBQOSA-N 1 1 374.525 3.130 10 0 FGAEMO Cc1cc(C)c(C(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000191911484 496929649 /nfs/dbraw/zinc/92/96/49/496929649.db2.gz VIMXZJXPLRLVNJ-UHFFFAOYSA-N 1 1 374.525 3.490 10 0 FGAEMO Cc1cc(C)c(C(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000191911484 496929652 /nfs/dbraw/zinc/92/96/52/496929652.db2.gz VIMXZJXPLRLVNJ-UHFFFAOYSA-N 1 1 374.525 3.490 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000191910762 496929786 /nfs/dbraw/zinc/92/97/86/496929786.db2.gz KNWWKQSJDZJSLA-UHFFFAOYSA-N 1 1 371.481 3.046 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 ZINC000191910762 496929791 /nfs/dbraw/zinc/92/97/91/496929791.db2.gz KNWWKQSJDZJSLA-UHFFFAOYSA-N 1 1 371.481 3.046 10 0 FGAEMO CC(C)[C@H](CNC(=O)C[NH+]1CCC(c2ccnn2C)CC1)c1ccccc1 ZINC000195504390 496943025 /nfs/dbraw/zinc/94/30/25/496943025.db2.gz KLUBLPHVOVWRLR-FQEVSTJZSA-N 1 1 368.525 3.156 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000191982637 496952192 /nfs/dbraw/zinc/95/21/92/496952192.db2.gz GQWDJGLNRODGRP-KRWDZBQOSA-N 1 1 361.486 3.347 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000191982637 496952196 /nfs/dbraw/zinc/95/21/96/496952196.db2.gz GQWDJGLNRODGRP-KRWDZBQOSA-N 1 1 361.486 3.347 10 0 FGAEMO COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000248344653 496982136 /nfs/dbraw/zinc/98/21/36/496982136.db2.gz LVYBRCFIYCJSTR-GJZGRUSLSA-N 1 1 365.905 3.154 10 0 FGAEMO CCCc1c(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cnn1-c1ccccc1 ZINC000248375816 496987554 /nfs/dbraw/zinc/98/75/54/496987554.db2.gz YDSATZFQKDDADG-APWZRJJASA-N 1 1 354.498 3.283 10 0 FGAEMO CC[C@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CC[N@H+]1C[C@H](C)O ZINC000248393944 496992634 /nfs/dbraw/zinc/99/26/34/496992634.db2.gz XNFWLSMMWOKQIA-LBDPXKHJSA-N 1 1 364.452 3.049 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192158486 497017032 /nfs/dbraw/zinc/01/70/32/497017032.db2.gz SJKTVINFNKQGAL-KRWDZBQOSA-N 1 1 364.461 3.094 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192158486 497017036 /nfs/dbraw/zinc/01/70/36/497017036.db2.gz SJKTVINFNKQGAL-KRWDZBQOSA-N 1 1 364.461 3.094 10 0 FGAEMO Cc1ccccc1CC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192160393 497017504 /nfs/dbraw/zinc/01/75/04/497017504.db2.gz PUWVFPIOQNZWQZ-LJQANCHMSA-N 1 1 374.525 3.192 10 0 FGAEMO Cc1ccccc1CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192160393 497017512 /nfs/dbraw/zinc/01/75/12/497017512.db2.gz PUWVFPIOQNZWQZ-LJQANCHMSA-N 1 1 374.525 3.192 10 0 FGAEMO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)C1 ZINC000192237004 497044008 /nfs/dbraw/zinc/04/40/08/497044008.db2.gz PKGOUWNOEFBOHS-HZPDHXFCSA-N 1 1 367.534 3.013 10 0 FGAEMO C[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)C1 ZINC000192237004 497044014 /nfs/dbraw/zinc/04/40/14/497044014.db2.gz PKGOUWNOEFBOHS-HZPDHXFCSA-N 1 1 367.534 3.013 10 0 FGAEMO COC(=O)c1ccccc1CC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000248587180 497048868 /nfs/dbraw/zinc/04/88/68/497048868.db2.gz YCNAXMIOLQQZMZ-BEFAXECRSA-N 1 1 361.388 3.102 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000192267985 497056181 /nfs/dbraw/zinc/05/61/81/497056181.db2.gz UAECFDLUOSZNNF-MRXNPFEDSA-N 1 1 370.497 3.262 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2cnc3ccccc3n2)CC1 ZINC000192267985 497056186 /nfs/dbraw/zinc/05/61/86/497056186.db2.gz UAECFDLUOSZNNF-MRXNPFEDSA-N 1 1 370.497 3.262 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(COc2ccccc2F)on1 ZINC000248637294 497067416 /nfs/dbraw/zinc/06/74/16/497067416.db2.gz VFOMUCBYWWTXKP-CABCVRRESA-N 1 1 373.428 3.092 10 0 FGAEMO CCCCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000248649846 497071306 /nfs/dbraw/zinc/07/13/06/497071306.db2.gz LLNIDHGTXCHUIE-IAGOWNOFSA-N 1 1 372.303 3.000 10 0 FGAEMO CCCCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000248649846 497071312 /nfs/dbraw/zinc/07/13/12/497071312.db2.gz LLNIDHGTXCHUIE-IAGOWNOFSA-N 1 1 372.303 3.000 10 0 FGAEMO C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248651369 497072949 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0 FGAEMO CCCN(CCC)C(=O)c1cccc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c1 ZINC000171291968 495807763 /nfs/dbraw/zinc/80/77/63/495807763.db2.gz LDSVXLKJTGZHJX-FQEVSTJZSA-N 1 1 371.525 3.259 10 0 FGAEMO C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCCN(c2cccnn2)C1 ZINC000155040368 495812874 /nfs/dbraw/zinc/81/28/74/495812874.db2.gz GNWNLTXOMULUHA-INIZCTEOSA-N 1 1 361.287 3.340 10 0 FGAEMO Cc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180013353 495823049 /nfs/dbraw/zinc/82/30/49/495823049.db2.gz DXAGQOMVULHQOG-QGZVFWFLSA-N 1 1 358.873 3.144 10 0 FGAEMO Cc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)nn1-c1cccc(Cl)c1 ZINC000180013353 495823054 /nfs/dbraw/zinc/82/30/54/495823054.db2.gz DXAGQOMVULHQOG-QGZVFWFLSA-N 1 1 358.873 3.144 10 0 FGAEMO COc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1OC1CCCC1 ZINC000183091515 495830919 /nfs/dbraw/zinc/83/09/19/495830919.db2.gz JXHDWDDWTFEXFZ-QAPCUYQASA-N 1 1 360.498 3.475 10 0 FGAEMO COCCCOc1ccccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176912954 495839224 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Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc4cc(Cl)ccc4n3C)C2)no1 ZINC000171403219 495857019 /nfs/dbraw/zinc/85/70/19/495857019.db2.gz HDMKYJCQEJZQHH-CYBMUJFWSA-N 1 1 359.861 3.373 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc4cc(Cl)ccc4n3C)C2)no1 ZINC000171403219 495857026 /nfs/dbraw/zinc/85/70/26/495857026.db2.gz HDMKYJCQEJZQHH-CYBMUJFWSA-N 1 1 359.861 3.373 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)no1 ZINC000171404716 495858544 /nfs/dbraw/zinc/85/85/44/495858544.db2.gz APNQBHONMVHUCX-DOTOQJQBSA-N 1 1 356.470 3.277 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+]([C@@H](C)C(=O)Nc3cc(C)cc(C)c3)C2)no1 ZINC000171404716 495858552 /nfs/dbraw/zinc/85/85/52/495858552.db2.gz APNQBHONMVHUCX-DOTOQJQBSA-N 1 1 356.470 3.277 10 0 FGAEMO Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000151528116 495867928 /nfs/dbraw/zinc/86/79/28/495867928.db2.gz XNTOPWLRFSYZRW-AZUAARDMSA-N 1 1 352.478 3.463 10 0 FGAEMO Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000151528116 495867932 /nfs/dbraw/zinc/86/79/32/495867932.db2.gz XNTOPWLRFSYZRW-AZUAARDMSA-N 1 1 352.478 3.463 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000176990426 495873581 /nfs/dbraw/zinc/87/35/81/495873581.db2.gz BKLLUFJXIGJMJZ-INIZCTEOSA-N 1 1 374.460 3.059 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(Cn2nc(C)cc2C)cc1 ZINC000177001415 495878515 /nfs/dbraw/zinc/87/85/15/495878515.db2.gz JISKKAVDVFHJRG-HXUWFJFHSA-N 1 1 354.498 3.105 10 0 FGAEMO O=c1cc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c2ccc([O-])cc2o1 ZINC000180159625 495886004 /nfs/dbraw/zinc/88/60/04/495886004.db2.gz ISWORZMDRSKDJY-RDTXWAMCSA-N 1 1 373.355 3.085 10 0 FGAEMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1 ZINC000177042599 495897882 /nfs/dbraw/zinc/89/78/82/495897882.db2.gz RMHDWSDIWXEMMA-QGZVFWFLSA-N 1 1 369.513 3.255 10 0 FGAEMO CCO[C@H](CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1)C(C)C ZINC000174331829 495913453 /nfs/dbraw/zinc/91/34/53/495913453.db2.gz CEUULKLKJVETSJ-IAGOWNOFSA-N 1 1 350.507 3.243 10 0 FGAEMO C[C@H](CCc1cccc(F)c1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000183278957 495913469 /nfs/dbraw/zinc/91/34/69/495913469.db2.gz RWBNAEANSORFOK-GOSISDBHSA-N 1 1 358.505 3.440 10 0 FGAEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(Br)cc1F ZINC000177089103 495920091 /nfs/dbraw/zinc/92/00/91/495920091.db2.gz VJRHUHJOULQPOI-CMPLNLGQSA-N 1 1 356.239 3.289 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000151756748 495938342 /nfs/dbraw/zinc/93/83/42/495938342.db2.gz IIAOTWXQIFCGFJ-NRFANRHFSA-N 1 1 366.509 3.371 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(-c2ccco2)nc1C ZINC000177155991 495951884 /nfs/dbraw/zinc/95/18/84/495951884.db2.gz NMXPSKDKRIUFBP-INIZCTEOSA-N 1 1 350.422 3.460 10 0 FGAEMO Cc1oc(-c2ccsc2)nc1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000177156688 495952145 /nfs/dbraw/zinc/95/21/45/495952145.db2.gz OTGOLOYQKQNQAF-MRXNPFEDSA-N 1 1 370.478 3.450 10 0 FGAEMO COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000177167424 495957208 /nfs/dbraw/zinc/95/72/08/495957208.db2.gz LNMWFXKGNHKMCZ-IDCODDLRSA-N 1 1 353.466 3.380 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1sccc1Br ZINC000174445833 495963197 /nfs/dbraw/zinc/96/31/97/495963197.db2.gz UDNSAQQDFASPHD-NWDGAFQWSA-N 1 1 372.332 3.279 10 0 FGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(NC(=O)NC(C)C)c1 ZINC000177184174 495964834 /nfs/dbraw/zinc/96/48/34/495964834.db2.gz PXYIXVNZBBCBKU-GOSISDBHSA-N 1 1 369.469 3.026 10 0 FGAEMO CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171663350 495978240 /nfs/dbraw/zinc/97/82/40/495978240.db2.gz YLZFAICSXXSOEU-QFIPXVFZSA-N 1 1 365.521 3.072 10 0 FGAEMO O=C(Nc1ccccc1)c1cccc(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000171705984 495998780 /nfs/dbraw/zinc/99/87/80/495998780.db2.gz IDCISZWXZZWADH-HXUWFJFHSA-N 1 1 361.449 3.368 10 0 FGAEMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCN(C)c2ccccc2)C1 ZINC000151944589 495999757 /nfs/dbraw/zinc/99/97/57/495999757.db2.gz UCSRLAZDMVPWMY-IBGZPJMESA-N 1 1 369.513 3.319 10 0 FGAEMO CC(C)(C(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000171756859 496023598 /nfs/dbraw/zinc/02/35/98/496023598.db2.gz LIEHPSFVSIFLFC-HNNXBMFYSA-N 1 1 351.288 3.033 10 0 FGAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC[N@H+]1C[C@@H](C)O ZINC000174595500 496026804 /nfs/dbraw/zinc/02/68/04/496026804.db2.gz VLBKJLOQZDVINY-XUFNMVPLSA-N 1 1 366.505 3.247 10 0 FGAEMO Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000174660399 496049859 /nfs/dbraw/zinc/04/98/59/496049859.db2.gz WTVLZAUJQMJLEU-NHCUHLMSSA-N 1 1 366.509 3.410 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccccc2COC)C1 ZINC000152169045 496067558 /nfs/dbraw/zinc/06/75/58/496067558.db2.gz VUZJOVOVSSDXPR-GOSISDBHSA-N 1 1 356.470 3.139 10 0 FGAEMO Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171914417 496089690 /nfs/dbraw/zinc/08/96/90/496089690.db2.gz PMHRDFRXNFJXFD-INIZCTEOSA-N 1 1 358.486 3.292 10 0 FGAEMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)c1cccs1 ZINC000174820701 496120804 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CC(C)[C@H](O)CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000156285292 496207076 /nfs/dbraw/zinc/20/70/76/496207076.db2.gz KXENVMMCMVQJHV-RBUKOAKNSA-N 1 1 372.534 3.371 10 0 FGAEMO CC(C)[C@H](O)CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000156285292 496207081 /nfs/dbraw/zinc/20/70/81/496207081.db2.gz KXENVMMCMVQJHV-RBUKOAKNSA-N 1 1 372.534 3.371 10 0 FGAEMO COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000180935537 496207281 /nfs/dbraw/zinc/20/72/81/496207281.db2.gz MAUNIJQUWNKOGV-CRAIPNDOSA-N 1 1 371.481 3.079 10 0 FGAEMO COC(=O)c1ccccc1CC[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000186914515 496208673 /nfs/dbraw/zinc/20/86/73/496208673.db2.gz RMKFHQHNPPJPIJ-SFHVURJKSA-N 1 1 368.481 3.171 10 0 FGAEMO COC(=O)c1ccccc1CC[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000186914515 496208680 /nfs/dbraw/zinc/20/86/80/496208680.db2.gz RMKFHQHNPPJPIJ-SFHVURJKSA-N 1 1 368.481 3.171 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000175015689 496209211 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FGAEMO C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1cc2ccccc2s1 ZINC000175769182 496536714 /nfs/dbraw/zinc/53/67/14/496536714.db2.gz HJAGKAGLRXWJCH-HLLBOEOZSA-N 1 1 373.522 3.324 10 0 FGAEMO O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000187695556 496537389 /nfs/dbraw/zinc/53/73/89/496537389.db2.gz DBMUIVWCXPBDOC-QMTHXVAHSA-N 1 1 363.330 3.058 10 0 FGAEMO CCc1nnc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)cc2)o1 ZINC000175800648 496550364 /nfs/dbraw/zinc/55/03/64/496550364.db2.gz VSAIMNQLBURYAY-GOSISDBHSA-N 1 1 364.449 3.410 10 0 FGAEMO Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCOc1cccc(Cl)c1 ZINC000175891061 496590443 /nfs/dbraw/zinc/59/04/43/496590443.db2.gz DTTPJLHBYWYAHJ-INIZCTEOSA-N 1 1 362.861 3.098 10 0 FGAEMO CC(=O)N[C@H]1CCC[N@@H+](Cc2c(C)nn(Cc3ccccc3Cl)c2C)C1 ZINC000153890524 496614754 /nfs/dbraw/zinc/61/47/54/496614754.db2.gz PTRXGMXDFHHEDT-SFHVURJKSA-N 1 1 374.916 3.302 10 0 FGAEMO COc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)ccc1OCc1cccs1 ZINC000153906862 496620321 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374.313 3.074 10 0 FGAEMO CCCn1ccc2cc(NC(=O)N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)ccc21 ZINC000245622172 497477480 /nfs/dbraw/zinc/47/74/80/497477480.db2.gz WYMFNDIBEYSRKJ-QFBILLFUSA-N 1 1 372.513 3.360 10 0 FGAEMO COc1ccc(NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190440399 497481569 /nfs/dbraw/zinc/48/15/69/497481569.db2.gz PJTCWEKINLYFOP-QGZVFWFLSA-N 1 1 354.454 3.076 10 0 FGAEMO CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190458458 497486086 /nfs/dbraw/zinc/48/60/86/497486086.db2.gz GRTXTMOJOPFYIH-KRWDZBQOSA-N 1 1 372.538 3.364 10 0 FGAEMO CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000190472935 497494362 /nfs/dbraw/zinc/49/43/62/497494362.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 1 1 355.530 3.067 10 0 FGAEMO Cn1cc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494366 /nfs/dbraw/zinc/49/43/66/497494366.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 1 1 355.530 3.067 10 0 FGAEMO Cn1cc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C(C)(C)C)n1 ZINC000190472935 497494370 /nfs/dbraw/zinc/49/43/70/497494370.db2.gz WUHWSIZCCQCVCJ-SFHVURJKSA-N 1 1 355.530 3.067 10 0 FGAEMO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000245678307 497498241 /nfs/dbraw/zinc/49/82/41/497498241.db2.gz IUIABBORCPNXHT-PCCBWWKXSA-N 1 1 358.526 3.267 10 0 FGAEMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)CCc2ccsc2)C1 ZINC000190528233 497518354 /nfs/dbraw/zinc/51/83/54/497518354.db2.gz TZGPIBZCVQCINI-MRXNPFEDSA-N 1 1 363.552 3.426 10 0 FGAEMO Cc1cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1Oc1cccnc1 ZINC000245790599 497539464 /nfs/dbraw/zinc/53/94/64/497539464.db2.gz WCZMGUXOXCREMA-ROUUACIJSA-N 1 1 355.482 3.069 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N3c4ccccc4CC[C@H]3C)C2)no1 ZINC000245834932 497545991 /nfs/dbraw/zinc/54/59/91/497545991.db2.gz CCJGUEHUPBAUJP-NVXWUHKLSA-N 1 1 368.481 3.000 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N3c4ccccc4CC[C@H]3C)C2)no1 ZINC000245834932 497545996 /nfs/dbraw/zinc/54/59/96/497545996.db2.gz CCJGUEHUPBAUJP-NVXWUHKLSA-N 1 1 368.481 3.000 10 0 FGAEMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245840343 497546958 /nfs/dbraw/zinc/54/69/58/497546958.db2.gz GCEGFSUDMNDUEA-ZBFHGGJFSA-N 1 1 356.470 3.222 10 0 FGAEMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000245840343 497546964 /nfs/dbraw/zinc/54/69/64/497546964.db2.gz GCEGFSUDMNDUEA-ZBFHGGJFSA-N 1 1 356.470 3.222 10 0 FGAEMO Cc1cccc(O[C@H](C)C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190637398 497554935 /nfs/dbraw/zinc/55/49/35/497554935.db2.gz KSPSLDYFCLRCFW-UYAOXDASSA-N 1 1 367.493 3.138 10 0 FGAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cn1 ZINC000245904415 497565777 /nfs/dbraw/zinc/56/57/77/497565777.db2.gz BSCIEKZQDULKSM-QZTJIDSGSA-N 1 1 372.538 3.111 10 0 FGAEMO CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3c3sccc3C)CC2)cn1 ZINC000245904415 497565781 /nfs/dbraw/zinc/56/57/81/497565781.db2.gz BSCIEKZQDULKSM-QZTJIDSGSA-N 1 1 372.538 3.111 10 0 FGAEMO Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190685818 497572562 /nfs/dbraw/zinc/57/25/62/497572562.db2.gz XXOCDFDNPUDZFO-AEFFLSMTSA-N 1 1 356.470 3.208 10 0 FGAEMO [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1 ZINC000262643208 497590090 /nfs/dbraw/zinc/59/00/90/497590090.db2.gz JJSWKXBQDOSOLP-KGLIPLIRSA-N 1 1 352.413 3.359 10 0 FGAEMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C[C@@H](C)O1 ZINC000245994015 497592743 /nfs/dbraw/zinc/59/27/43/497592743.db2.gz AABBMZZPBHNLER-LUYZLQTOSA-N 1 1 366.452 3.072 10 0 FGAEMO CCOCC[N@H+]1CCN(c2cc(CC)nc(-c3ccncc3)n2)C[C@@H]1CC ZINC000246005516 497594740 /nfs/dbraw/zinc/59/47/40/497594740.db2.gz GCRYMHFXGRVBND-IBGZPJMESA-N 1 1 369.513 3.038 10 0 FGAEMO Cc1c(Br)ccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000194195087 497599483 /nfs/dbraw/zinc/59/94/83/497599483.db2.gz CNVMQYUVLCWPMB-LLVKDONJSA-N 1 1 356.239 3.209 10 0 FGAEMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246028388 497600356 /nfs/dbraw/zinc/60/03/56/497600356.db2.gz RERBZBRQQVCZIU-LVCYWYKZSA-N 1 1 372.557 3.010 10 0 FGAEMO CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000190850869 497621411 /nfs/dbraw/zinc/62/14/11/497621411.db2.gz FEPYELBPMBVFFD-WUJZJPHMSA-N 1 1 366.527 3.115 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1OCC(F)F ZINC000246100219 497622103 /nfs/dbraw/zinc/62/21/03/497622103.db2.gz XZMLUECMLZZNCB-KGLIPLIRSA-N 1 1 353.413 3.421 10 0 FGAEMO COc1ccc(C[N@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)cc1 ZINC000190852269 497622258 /nfs/dbraw/zinc/62/22/58/497622258.db2.gz QPWKPCPMLPLWNE-SFHVURJKSA-N 1 1 362.514 3.323 10 0 FGAEMO Cc1nccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1 ZINC000246123123 497630182 /nfs/dbraw/zinc/63/01/82/497630182.db2.gz VSCBCIYCHLWTHA-JXFKEZNVSA-N 1 1 367.497 3.121 10 0 FGAEMO C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000246154455 497640083 /nfs/dbraw/zinc/64/00/83/497640083.db2.gz QBTMDGDEULOFCI-ULQDDVLXSA-N 1 1 370.472 3.220 10 0 FGAEMO Cc1csc([C@H]2CCCN(C(=O)NCC[N@@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000246165373 497644880 /nfs/dbraw/zinc/64/48/80/497644880.db2.gz KYCIZSIFGMCXNL-ZBFHGGJFSA-N 1 1 350.532 3.072 10 0 FGAEMO CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000190915922 497645296 /nfs/dbraw/zinc/64/52/96/497645296.db2.gz IMZXWWSMSZJVFC-DHHCDUQHSA-N 1 1 374.525 3.374 10 0 FGAEMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246260156 497676947 /nfs/dbraw/zinc/67/69/47/497676947.db2.gz YHAHTEDUKIZXHP-OCCSQVGLSA-N 1 1 356.297 3.491 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000246305505 497689705 /nfs/dbraw/zinc/68/97/05/497689705.db2.gz DKRIFDBKLQXVTB-OXJNMPFZSA-N 1 1 365.477 3.137 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000246336819 497699977 /nfs/dbraw/zinc/69/99/77/497699977.db2.gz GRCRUIPOLROSMV-KBXCAEBGSA-N 1 1 374.460 3.051 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1 ZINC000246336830 497700201 /nfs/dbraw/zinc/70/02/01/497700201.db2.gz GRCRUIPOLROSMV-RDTXWAMCSA-N 1 1 374.460 3.051 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)c1 ZINC000246402315 497722089 /nfs/dbraw/zinc/72/20/89/497722089.db2.gz QQPISCQRSRTLOP-MSOLQXFVSA-N 1 1 358.873 3.287 10 0 FGAEMO Cc1cnn([C@@H]2CCC[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)c1 ZINC000246402315 497722097 /nfs/dbraw/zinc/72/20/97/497722097.db2.gz QQPISCQRSRTLOP-MSOLQXFVSA-N 1 1 358.873 3.287 10 0 FGAEMO C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246455379 497739404 /nfs/dbraw/zinc/73/94/04/497739404.db2.gz MYWSKTJSGVRZAG-CPUCHLNUSA-N 1 1 353.304 3.163 10 0 FGAEMO O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246462563 497741952 /nfs/dbraw/zinc/74/19/52/497741952.db2.gz PWBUOVGHGRTYOC-UFYCRDLUSA-N 1 1 357.498 3.034 10 0 FGAEMO CN(C(=O)CC[N@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F)c1ccccc1 ZINC000246499683 497754889 /nfs/dbraw/zinc/75/48/89/497754889.db2.gz BCZLHKVZFNXUAC-APWZRJJASA-N 1 1 360.404 3.126 10 0 FGAEMO CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(Br)c2COC)C1 ZINC000194754446 497760744 /nfs/dbraw/zinc/76/07/44/497760744.db2.gz HLSVLZIRACSFRE-GFCCVEGCSA-N 1 1 370.291 3.201 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000246549558 497772007 /nfs/dbraw/zinc/77/20/07/497772007.db2.gz QVVZELKMHYWGGT-ROUUACIJSA-N 1 1 353.470 3.178 10 0 FGAEMO COc1ccc(C[NH2+]C2CC([N@H+](CC(=O)[O-])CC3CC3)C2)c2ccccc12 ZINC000263451952 497784398 /nfs/dbraw/zinc/78/43/98/497784398.db2.gz ADWZXZPWLOSKOO-UHFFFAOYSA-N 1 1 368.477 3.266 10 0 FGAEMO CC[C@H]1CN(C(=O)c2ccccc2SC(C)C)CC[N@H+]1C[C@H](C)O ZINC000246700512 497801317 /nfs/dbraw/zinc/80/13/17/497801317.db2.gz CDPOELOVGKRLJD-HOTGVXAUSA-N 1 1 350.528 3.104 10 0 FGAEMO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000246720352 497803848 /nfs/dbraw/zinc/80/38/48/497803848.db2.gz OAFLYTLCSILUJI-XLIONFOSSA-N 1 1 355.388 3.458 10 0 FGAEMO O[C@@H]1C[C@@H](c2cc(F)ccc2F)[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000246720352 497803850 /nfs/dbraw/zinc/80/38/50/497803850.db2.gz OAFLYTLCSILUJI-XLIONFOSSA-N 1 1 355.388 3.458 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(Oc3ccccc3)nc2)C1 ZINC000246747956 497807698 /nfs/dbraw/zinc/80/76/98/497807698.db2.gz BFXMEBWWKNCNCA-VQIMIIECSA-N 1 1 368.481 3.402 10 0 FGAEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000246815092 497813199 /nfs/dbraw/zinc/81/31/99/497813199.db2.gz CGYXGALZNMPYSU-HOCLYGCPSA-N 1 1 358.413 3.306 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)C1 ZINC000246834763 497814815 /nfs/dbraw/zinc/81/48/15/497814815.db2.gz DXCNCOFHYJRPFN-WCQYABFASA-N 1 1 361.433 3.037 10 0 FGAEMO CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246843387 497815859 /nfs/dbraw/zinc/81/58/59/497815859.db2.gz VAHISWWWLOIRJV-JLSDUUJJSA-N 1 1 365.905 3.296 10 0 FGAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1Cl 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C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H](O)COCc1ccccc1 ZINC000077657996 494133651 /nfs/dbraw/zinc/13/36/51/494133651.db2.gz KDZAXDDFIRUXSA-NZQKXSOJSA-N 1 1 368.521 3.161 10 0 FGAEMO COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H](O)COCc2ccccc2)c1 ZINC000078777777 494359330 /nfs/dbraw/zinc/35/93/30/494359330.db2.gz MDTWNKVKOISBTK-GHTZIAJQSA-N 1 1 371.477 3.418 10 0 FGAEMO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000066741350 494398795 /nfs/dbraw/zinc/39/87/95/494398795.db2.gz MQBRGUQTZBHDGY-DLBZAZTESA-N 1 1 359.470 3.440 10 0 FGAEMO CC(C)(C)OC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000066741350 494398799 /nfs/dbraw/zinc/39/87/99/494398799.db2.gz MQBRGUQTZBHDGY-DLBZAZTESA-N 1 1 359.470 3.440 10 0 FGAEMO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(Br)c1 ZINC000079213208 494418693 /nfs/dbraw/zinc/41/86/93/494418693.db2.gz WGMWGJSUCFFBDF-QWHCGFSZSA-N 1 1 366.303 3.294 10 0 FGAEMO C[C@@H](NC(=O)NC1CC[NH+](CCN(C)C)CC1)c1ccc2ccccc2c1 ZINC000079219231 494421062 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ZINC000246096937 497620515 /nfs/dbraw/zinc/62/05/15/497620515.db2.gz IZULIAUPLZCZKJ-HIFRSBDPSA-N 1 1 357.433 3.020 10 0 FGAEMO CC(C)n1cc(C[N@H+]2CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC2)cn1 ZINC000190852456 497622397 /nfs/dbraw/zinc/62/23/97/497622397.db2.gz CDGFGWNZZLNONZ-SFHVURJKSA-N 1 1 364.534 3.092 10 0 FGAEMO Cc1ccc(Br)c(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246107658 497624342 /nfs/dbraw/zinc/62/43/42/497624342.db2.gz JPDIGALTFPPPLB-OLZOCXBDSA-N 1 1 352.276 3.458 10 0 FGAEMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)C1 ZINC000246111242 497625026 /nfs/dbraw/zinc/62/50/26/497625026.db2.gz HTTFMHKJRYZMIT-HLAWJBBLSA-N 1 1 373.541 3.405 10 0 FGAEMO CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)C1 ZINC000194347706 497641512 /nfs/dbraw/zinc/64/15/12/497641512.db2.gz GVIKNZQVFNWPDM-IBGZPJMESA-N 1 1 372.513 3.309 10 0 FGAEMO CCCOCc1ccccc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246191259 497653886 /nfs/dbraw/zinc/65/38/86/497653886.db2.gz MLBCNUGQAIVYSI-UXHICEINSA-N 1 1 359.514 3.381 10 0 FGAEMO O=C(N1CC[N@@H+]2CCCC[C@@H]2C1)C1(c2ccccc2Br)CC1 ZINC000190956037 497660132 /nfs/dbraw/zinc/66/01/32/497660132.db2.gz DGRXQQBIKZRZDS-CQSZACIVSA-N 1 1 363.299 3.177 10 0 FGAEMO O=C(N1CC[N@H+]2CCCC[C@@H]2C1)C1(c2ccccc2Br)CC1 ZINC000190956037 497660137 /nfs/dbraw/zinc/66/01/37/497660137.db2.gz DGRXQQBIKZRZDS-CQSZACIVSA-N 1 1 363.299 3.177 10 0 FGAEMO C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)C[C@H]1N1CCOCC1 ZINC000246347708 497703725 /nfs/dbraw/zinc/70/37/25/497703725.db2.gz FTQRKKLBDIHCQH-NVXWUHKLSA-N 1 1 354.947 3.475 10 0 FGAEMO CC[C@@H]1CN(C(=O)C(C)(C)Cc2cccc(Cl)c2)CC[N@H+]1C[C@H](C)O ZINC000246369748 497711077 /nfs/dbraw/zinc/71/10/77/497711077.db2.gz HYCYNVCSADRYLN-MAUKXSAKSA-N 1 1 366.933 3.212 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3C(C)C)C2)c1 ZINC000246401540 497721423 /nfs/dbraw/zinc/72/14/23/497721423.db2.gz XUIBJTGJJLBYPV-RBUKOAKNSA-N 1 1 357.498 3.392 10 0 FGAEMO CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)c2)n1 ZINC000246404047 497723508 /nfs/dbraw/zinc/72/35/08/497723508.db2.gz QGHMOZVKINQWHR-GDBMZVCRSA-N 1 1 369.469 3.308 10 0 FGAEMO Cc1csc([C@@H]2CCCN(C(=O)NC[C@H](C)[N@H+]3CCC[C@@H](C)C3)C2)n1 ZINC000246444778 497735469 /nfs/dbraw/zinc/73/54/69/497735469.db2.gz UIEPMEAADPGALF-HYVNUMGLSA-N 1 1 364.559 3.461 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)c3ccoc3)c2)C1 ZINC000246446172 497737571 /nfs/dbraw/zinc/73/75/71/497737571.db2.gz OHNGWELLRKDTKE-RDTXWAMCSA-N 1 1 370.453 3.382 10 0 FGAEMO C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000263290995 497750986 /nfs/dbraw/zinc/75/09/86/497750986.db2.gz VSIZEMSTMGDRMB-WBMJQRKESA-N 1 1 358.408 3.042 10 0 FGAEMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000246498609 497754638 /nfs/dbraw/zinc/75/46/38/497754638.db2.gz AWWHEFSFOFSXOF-ROUUACIJSA-N 1 1 354.454 3.108 10 0 FGAEMO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507733 497757886 /nfs/dbraw/zinc/75/78/86/497757886.db2.gz SZVXFKHQBQAMNL-ABSDTBQOSA-N 1 1 356.514 3.378 10 0 FGAEMO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000246507733 497757889 /nfs/dbraw/zinc/75/78/89/497757889.db2.gz SZVXFKHQBQAMNL-ABSDTBQOSA-N 1 1 356.514 3.378 10 0 FGAEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000246549544 497772003 /nfs/dbraw/zinc/77/20/03/497772003.db2.gz QVVZELKMHYWGGT-MSOLQXFVSA-N 1 1 353.470 3.178 10 0 FGAEMO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246566730 497777052 /nfs/dbraw/zinc/77/70/52/497777052.db2.gz BNXULMYILKHPDP-FUHWJXTLSA-N 1 1 355.482 3.313 10 0 FGAEMO O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246572617 497779082 /nfs/dbraw/zinc/77/90/82/497779082.db2.gz STGKLNKZGRNBSY-ZDUSSCGKSA-N 1 1 356.900 3.023 10 0 FGAEMO O=S(=O)(c1cc2cc(Cl)ccc2s1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246572617 497779085 /nfs/dbraw/zinc/77/90/85/497779085.db2.gz STGKLNKZGRNBSY-ZDUSSCGKSA-N 1 1 356.900 3.023 10 0 FGAEMO O[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000246599128 497785690 /nfs/dbraw/zinc/78/56/90/497785690.db2.gz HBCUDYCNSCMSHS-QYZOEREBSA-N 1 1 365.395 3.417 10 0 FGAEMO O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000263526747 497796386 /nfs/dbraw/zinc/79/63/86/497796386.db2.gz UJIWJILZEHYYFL-UHFFFAOYSA-N 1 1 373.884 3.305 10 0 FGAEMO O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2cc(Cl)cc3cccnc32)C1 ZINC000263526747 497796389 /nfs/dbraw/zinc/79/63/89/497796389.db2.gz UJIWJILZEHYYFL-UHFFFAOYSA-N 1 1 373.884 3.305 10 0 FGAEMO Cc1cnn([C@H]2CCC[N@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)c1 ZINC000246749612 497807661 /nfs/dbraw/zinc/80/76/61/497807661.db2.gz JJTACBRHXWATCN-OALUTQOASA-N 1 1 356.445 3.163 10 0 FGAEMO C[C@H](NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000246758368 497808654 /nfs/dbraw/zinc/80/86/54/497808654.db2.gz ALFXZPIHLHAAND-YDHLFZDLSA-N 1 1 353.413 3.227 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCc2ccc(Br)cc2)C1 ZINC000246765367 497809249 /nfs/dbraw/zinc/80/92/49/497809249.db2.gz BYPYFJMBKRTRGE-CZUORRHYSA-N 1 1 353.304 3.227 10 0 FGAEMO COc1ccc(-c2nc(CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)cs2)c(OC)c1 ZINC000246770811 497809588 /nfs/dbraw/zinc/80/95/88/497809588.db2.gz AWNFWRCIBXWQCX-ZBFHGGJFSA-N 1 1 373.522 3.496 10 0 FGAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000246794122 497811514 /nfs/dbraw/zinc/81/15/14/497811514.db2.gz QVDGQQDKVPCQNE-MJBXVCDLSA-N 1 1 373.324 3.086 10 0 FGAEMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)C[C@H]1C ZINC000246794122 497811515 /nfs/dbraw/zinc/81/15/15/497811515.db2.gz QVDGQQDKVPCQNE-MJBXVCDLSA-N 1 1 373.324 3.086 10 0 FGAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H]1C ZINC000246806467 497812278 /nfs/dbraw/zinc/81/22/78/497812278.db2.gz RQOSJRBXAONBPM-IRXDYDNUSA-N 1 1 354.450 3.006 10 0 FGAEMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccccc2Oc2ccccc2)C[C@@H]1C ZINC000246806467 497812279 /nfs/dbraw/zinc/81/22/79/497812279.db2.gz RQOSJRBXAONBPM-IRXDYDNUSA-N 1 1 354.450 3.006 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(OC(F)F)cc1 ZINC000246854142 497816607 /nfs/dbraw/zinc/81/66/07/497816607.db2.gz COHCVONKIYQROH-HOTGVXAUSA-N 1 1 352.425 3.306 10 0 FGAEMO C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccc(Br)s1 ZINC000246886173 497818583 /nfs/dbraw/zinc/81/85/83/497818583.db2.gz OUOBZQJKUVTAOZ-WOPDTQHZSA-N 1 1 357.317 3.309 10 0 FGAEMO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)nc(-c2ccc(Cl)cc2)n1 ZINC000246918608 497820303 /nfs/dbraw/zinc/82/03/03/497820303.db2.gz YIVAHZUXTUWPGW-RHSMWYFYSA-N 1 1 370.884 3.414 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(CSc2nccn2C)o1 ZINC000246921299 497820401 /nfs/dbraw/zinc/82/04/01/497820401.db2.gz JBLPOQBBAYYKNT-GJZGRUSLSA-N 1 1 374.510 3.004 10 0 FGAEMO C[C@H](O)C[N@@H+]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C[C@@H]1C ZINC000246931751 497820917 /nfs/dbraw/zinc/82/09/17/497820917.db2.gz ZJRLUSITAFAXMI-IRXDYDNUSA-N 1 1 362.539 3.005 10 0 FGAEMO C[C@H](O)C[N@H+]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C[C@@H]1C ZINC000246931751 497820918 /nfs/dbraw/zinc/82/09/18/497820918.db2.gz ZJRLUSITAFAXMI-IRXDYDNUSA-N 1 1 362.539 3.005 10 0 FGAEMO CCN(CC(=O)NC(C)C)c1cc[nH+]c2ccc(Br)cc21 ZINC000301713857 498236126 /nfs/dbraw/zinc/23/61/26/498236126.db2.gz FUXYQFQKZGTTCP-UHFFFAOYSA-N 1 1 350.260 3.348 10 0 FGAEMO Cc1c2nnc(C(F)(F)F)n2nc(NC[C@H]2CCC[N@@H+]2CC(C)C)c1C ZINC000301789568 498264381 /nfs/dbraw/zinc/26/43/81/498264381.db2.gz YKBXWMXSXVEEJM-CYBMUJFWSA-N 1 1 370.423 3.292 10 0 FGAEMO O=C([C@@H]1C[C@]12CCOc1ccc(Cl)cc12)N1CCC[N@H+](C2CC2)CC1 ZINC000328604859 498873498 /nfs/dbraw/zinc/87/34/98/498873498.db2.gz LOJASXFQFJDBPI-PXNSSMCTSA-N 1 1 360.885 3.077 10 0 FGAEMO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328626507 498881147 /nfs/dbraw/zinc/88/11/47/498881147.db2.gz FDVLXGDTIFDVIC-WDEREUQCSA-N 1 1 369.391 3.418 10 0 FGAEMO CCn1nc(C)c([C@H](C)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1C ZINC000390893319 499556083 /nfs/dbraw/zinc/55/60/83/499556083.db2.gz BLIWTUDAHMKVFR-LAUBAEHRSA-N 1 1 370.541 3.462 10 0 FGAEMO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)c1C ZINC000390893319 499556084 /nfs/dbraw/zinc/55/60/84/499556084.db2.gz BLIWTUDAHMKVFR-LAUBAEHRSA-N 1 1 370.541 3.462 10 0 FGAEMO CCOC(=O)[C@]12CC[N@@H+](Cc3ccccc3)[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000498051132 503096114 /nfs/dbraw/zinc/09/61/14/503096114.db2.gz VKOMCLVWLXQZSP-UTKZUKDTSA-N 1 1 374.481 3.061 10 0 FGAEMO CCOC(=O)[C@@]12CC[N@@H+](Cc3ccccc3)[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000498051131 503096149 /nfs/dbraw/zinc/09/61/49/503096149.db2.gz VKOMCLVWLXQZSP-LAUBAEHRSA-N 1 1 374.481 3.061 10 0 FGAEMO CCN(c1cccc2ccccc21)c1ncnc(N2CC[NH+](C)CC2)c1N ZINC000040701934 535418325 /nfs/dbraw/zinc/41/83/25/535418325.db2.gz BNXSHSPCGHOHFG-UHFFFAOYSA-N 1 1 362.481 3.122 10 0 FGAEMO c1cc(C[N@@H+]2CCC[C@@H](OCc3nc(-c4cccnc4)no3)C2)cs1 ZINC000075403471 700210148 /nfs/dbraw/zinc/21/01/48/700210148.db2.gz IPAXULMYMTVHNR-MRXNPFEDSA-N 1 1 356.451 3.374 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363.479 3.252 10 0 FGAEMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)o1 ZINC000246978137 496741982 /nfs/dbraw/zinc/74/19/82/496741982.db2.gz SETUQSZZNGVAKC-ZWKOTPCHSA-N 1 1 363.479 3.252 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)C1 ZINC000247044648 496761710 /nfs/dbraw/zinc/76/17/10/496761710.db2.gz ICVWIERHDVFXSV-HLLBOEOZSA-N 1 1 356.470 3.431 10 0 FGAEMO CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000247052588 496763943 /nfs/dbraw/zinc/76/39/43/496763943.db2.gz YQTOMPYAGADMAW-DESBSMFKSA-N 1 1 366.505 3.247 10 0 FGAEMO Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc2ccccc21 ZINC000247052103 496764548 /nfs/dbraw/zinc/76/45/48/496764548.db2.gz NOFZDSRLCXKSCJ-VQTJNVASSA-N 1 1 365.477 3.249 10 0 FGAEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C(C)C ZINC000247153795 496794673 /nfs/dbraw/zinc/79/46/73/496794673.db2.gz UKWVPYQABKKTKL-RBUKOAKNSA-N 1 1 357.498 3.219 10 0 FGAEMO 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O=C(Nc1ccccc1C[NH+]1CCSCC1)N[C@@H]1COc2ccccc21 ZINC000139859644 495484362 /nfs/dbraw/zinc/48/43/62/495484362.db2.gz FYRWWEZUCQMCDN-GOSISDBHSA-N 1 1 369.490 3.491 10 0 FGAEMO Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000140409547 495494795 /nfs/dbraw/zinc/49/47/95/495494795.db2.gz APNIJPSQODUESR-NQIIRXRSSA-N 1 1 355.482 3.126 10 0 FGAEMO Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CC[C@@H](N3CCOCC3)C1)CO2 ZINC000120977810 495495685 /nfs/dbraw/zinc/49/56/85/495495685.db2.gz HHIXRWHFRPPCQQ-MRXNPFEDSA-N 1 1 369.292 3.176 10 0 FGAEMO CCn1cnnc1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000107073990 495521852 /nfs/dbraw/zinc/52/18/52/495521852.db2.gz BRFCMNZNZFZDNY-MSOLQXFVSA-N 1 1 372.513 3.041 10 0 FGAEMO CCn1cc(C[N@@H+]2CCCN(C(=O)CC(C)(C)c3ccccc3)CC2)cn1 ZINC000107253733 495524205 /nfs/dbraw/zinc/52/42/05/495524205.db2.gz LBGJSQJGMYROER-UHFFFAOYSA-N 1 1 368.525 3.305 10 0 FGAEMO CCn1cc(C[N@H+]2CCCN(C(=O)CC(C)(C)c3ccccc3)CC2)cn1 ZINC000107253733 495524206 /nfs/dbraw/zinc/52/42/06/495524206.db2.gz LBGJSQJGMYROER-UHFFFAOYSA-N 1 1 368.525 3.305 10 0 FGAEMO CC[N@H+]1CCC[C@H](NC(=O)CCc2cc(F)ccc2Br)C1 ZINC000182367267 495534684 /nfs/dbraw/zinc/53/46/84/495534684.db2.gz OKNAMXYKZKWEIT-AWEZNQCLSA-N 1 1 357.267 3.121 10 0 FGAEMO C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@@H+]1CCc2sccc2C1 ZINC000182380069 495539897 /nfs/dbraw/zinc/53/98/97/495539897.db2.gz GMNFLHXESIGRDZ-PBHICJAKSA-N 1 1 373.526 3.155 10 0 FGAEMO C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)[N@H+]1CCc2sccc2C1 ZINC000182380069 495539899 /nfs/dbraw/zinc/53/98/99/495539899.db2.gz GMNFLHXESIGRDZ-PBHICJAKSA-N 1 1 373.526 3.155 10 0 FGAEMO CN(CCc1ccncc1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000170688261 495565912 /nfs/dbraw/zinc/56/59/12/495565912.db2.gz XHTACCWFKUDTNI-OAQYLSRUSA-N 1 1 366.509 3.320 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 ZINC000176305630 495588749 /nfs/dbraw/zinc/58/87/49/495588749.db2.gz OKPSYBCPANCQLT-IBGZPJMESA-N 1 1 370.497 3.318 10 0 FGAEMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000179469101 495603940 /nfs/dbraw/zinc/60/39/40/495603940.db2.gz XOZACWGOKDKYRS-INIZCTEOSA-N 1 1 372.423 3.196 10 0 FGAEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176352081 495615846 /nfs/dbraw/zinc/61/58/46/495615846.db2.gz QVVZELKMHYWGGT-ZWKOTPCHSA-N 1 1 353.470 3.178 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCSCC2)cc1 ZINC000176364198 495620826 /nfs/dbraw/zinc/62/08/26/495620826.db2.gz VCGKQJJRBYSQPP-SFHVURJKSA-N 1 1 362.543 3.188 10 0 FGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000158964064 495625965 /nfs/dbraw/zinc/62/59/65/495625965.db2.gz IQYITXJRDUGAKO-QFBILLFUSA-N 1 1 368.481 3.095 10 0 FGAEMO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1C ZINC000173671557 495641807 /nfs/dbraw/zinc/64/18/07/495641807.db2.gz XXQMABJCJQHDHY-INIZCTEOSA-N 1 1 373.526 3.003 10 0 FGAEMO Cc1sc(NC(=O)C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c(C)c1C ZINC000173671557 495641815 /nfs/dbraw/zinc/64/18/15/495641815.db2.gz XXQMABJCJQHDHY-INIZCTEOSA-N 1 1 373.526 3.003 10 0 FGAEMO O[C@@H](C[NH+]1CCC(Nc2cccnn2)CC1)c1ccccc1C(F)(F)F ZINC000170940737 495660957 /nfs/dbraw/zinc/66/09/57/495660957.db2.gz NTJNOPANSQQFFN-INIZCTEOSA-N 1 1 366.387 3.105 10 0 FGAEMO CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1F ZINC000173744791 495674297 /nfs/dbraw/zinc/67/42/97/495674297.db2.gz RGMYOFOUZXXOQB-GOEBONIOSA-N 1 1 361.461 3.119 10 0 FGAEMO CCc1c(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cnn1-c1ccccc1C ZINC000185678416 495675585 /nfs/dbraw/zinc/67/55/85/495675585.db2.gz UDWJZJRQOOGFIC-DLBZAZTESA-N 1 1 352.482 3.052 10 0 FGAEMO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@H](Oc4cccnc4)C3)nc(N)c2c1C ZINC000154695811 495698091 /nfs/dbraw/zinc/69/80/91/495698091.db2.gz NLYCIXGHRSOTBJ-WFASDCNBSA-N 1 1 369.494 3.500 10 0 FGAEMO Cc1sc2nc([C@H](C)[N@H+]3CC[C@H](Oc4cccnc4)C3)nc(N)c2c1C ZINC000154695811 495698096 /nfs/dbraw/zinc/69/80/96/495698096.db2.gz NLYCIXGHRSOTBJ-WFASDCNBSA-N 1 1 369.494 3.500 10 0 FGAEMO C[C@@H]1CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173822308 495707569 /nfs/dbraw/zinc/70/75/69/495707569.db2.gz CJGBLLAWIQYDFG-XLIONFOSSA-N 1 1 358.526 3.096 10 0 FGAEMO CCCOc1cccc(CNCc2n[nH]c(COc3ccccc3)n2)c1 ZINC000185756136 495712134 /nfs/dbraw/zinc/71/21/34/495712134.db2.gz OJZDZNXSCVEIQT-UHFFFAOYSA-N 1 1 352.438 3.462 10 0 FGAEMO Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)[N@H+]3CCC[C@H](C)C3)C2)n1 ZINC000173843484 495715976 /nfs/dbraw/zinc/71/59/76/495715976.db2.gz UIEPMEAADPGALF-USXIJHARSA-N 1 1 364.559 3.461 10 0 FGAEMO CCOCC[N@H+]1CCN(C(=O)C[C@@H](C)c2ccc(OC)cc2)C[C@H]1CC ZINC000176607490 495717727 /nfs/dbraw/zinc/71/77/27/495717727.db2.gz LITUMZGKEWADCE-IEBWSBKVSA-N 1 1 362.514 3.148 10 0 FGAEMO CCc1ccc([C@@H]2CCCCN2C(=O)NCCC[N@@H+](C)CCOC)o1 ZINC000173985842 495776431 /nfs/dbraw/zinc/77/64/31/495776431.db2.gz LVEDGQORZURYKM-KRWDZBQOSA-N 1 1 351.491 3.047 10 0 FGAEMO CC(C)Cc1noc(C[N@@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000185998215 495815500 /nfs/dbraw/zinc/81/55/00/495815500.db2.gz UDJZVLHCHDETPW-ZNMIVQPWSA-N 1 1 364.490 3.003 10 0 FGAEMO CC(C)Cc1noc(C[N@H+]2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)n1 ZINC000185998215 495815507 /nfs/dbraw/zinc/81/55/07/495815507.db2.gz UDJZVLHCHDETPW-ZNMIVQPWSA-N 1 1 364.490 3.003 10 0 FGAEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3c(C4CC4)nc4sccn34)C2)no1 ZINC000179999359 495817477 /nfs/dbraw/zinc/81/74/77/495817477.db2.gz CNNRNBUHJRCTBX-ZDUSSCGKSA-N 1 1 357.483 3.419 10 0 FGAEMO CC(=O)Nc1ccc(C)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000176868460 495818896 /nfs/dbraw/zinc/81/88/96/495818896.db2.gz VSTGVIVFOVMIGI-KRWDZBQOSA-N 1 1 355.442 3.155 10 0 FGAEMO COc1ccc(C2(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CCCC2)cc1OC ZINC000180013144 495822294 /nfs/dbraw/zinc/82/22/94/495822294.db2.gz KDMUJKVRBAXQJA-SFHVURJKSA-N 1 1 372.509 3.212 10 0 FGAEMO COc1ccc(C2(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)CCCC2)cc1OC ZINC000180013144 495822297 /nfs/dbraw/zinc/82/22/97/495822297.db2.gz KDMUJKVRBAXQJA-SFHVURJKSA-N 1 1 372.509 3.212 10 0 FGAEMO Cc1nccn1CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000186040063 495832695 /nfs/dbraw/zinc/83/26/95/495832695.db2.gz ZWZPZEBSUJWSIT-KSZLIROESA-N 1 1 362.518 3.207 10 0 FGAEMO c1cn2c(C[NH+]3CCC(Nc4cccnn4)CC3)c(C3CC3)nc2s1 ZINC000180079485 495848375 /nfs/dbraw/zinc/84/83/75/495848375.db2.gz FYHVJCSTJSKJMK-UHFFFAOYSA-N 1 1 354.483 3.140 10 0 FGAEMO CCCn1cc(C[N@@H+]2CCCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC000180084699 495850708 /nfs/dbraw/zinc/85/07/08/495850708.db2.gz DFXLMZZEMIAVOU-ROUUACIJSA-N 1 1 360.546 3.400 10 0 FGAEMO CCCn1cc(C[N@H+]2CCCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC000180084699 495850713 /nfs/dbraw/zinc/85/07/13/495850713.db2.gz DFXLMZZEMIAVOU-ROUUACIJSA-N 1 1 360.546 3.400 10 0 FGAEMO CCc1cccc(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171405608 495860130 /nfs/dbraw/zinc/86/01/30/495860130.db2.gz FAOFEWRIPHAGJX-INIZCTEOSA-N 1 1 356.470 3.142 10 0 FGAEMO CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171405608 495860134 /nfs/dbraw/zinc/86/01/34/495860134.db2.gz FAOFEWRIPHAGJX-INIZCTEOSA-N 1 1 356.470 3.142 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)no1 ZINC000171408203 495861151 /nfs/dbraw/zinc/86/11/51/495861151.db2.gz PCOHQBGLTBIHNC-SJLPKXTDSA-N 1 1 370.497 3.127 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)N[C@H](C)c3ccc(C)c(C)c3)C2)no1 ZINC000171408203 495861160 /nfs/dbraw/zinc/86/11/60/495861160.db2.gz PCOHQBGLTBIHNC-SJLPKXTDSA-N 1 1 370.497 3.127 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](CC(=O)Nc3cccc4ccccc43)C2)no1 ZINC000171408086 495861574 /nfs/dbraw/zinc/86/15/74/495861574.db2.gz ILIWQVVJMVCFGT-MRXNPFEDSA-N 1 1 364.449 3.424 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+](CC(=O)Nc3cccc4ccccc43)C2)no1 ZINC000171408086 495861578 /nfs/dbraw/zinc/86/15/78/495861578.db2.gz ILIWQVVJMVCFGT-MRXNPFEDSA-N 1 1 364.449 3.424 10 0 FGAEMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000176967671 495862253 /nfs/dbraw/zinc/86/22/53/495862253.db2.gz BJCLSDPIWUBBTE-AWEZNQCLSA-N 1 1 364.287 3.487 10 0 FGAEMO CC(C)[N@@H+](C)CCN[C@H](c1ccc(Br)cc1)c1cncnc1 ZINC000186162213 495878710 /nfs/dbraw/zinc/87/87/10/495878710.db2.gz LJWBYQBXMPMXBW-QGZVFWFLSA-N 1 1 363.303 3.258 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ncccc2C(F)(F)F)C1 ZINC000180171657 495891068 /nfs/dbraw/zinc/89/10/68/495891068.db2.gz UIIJVGUKRQFOKI-GFCCVEGCSA-N 1 1 352.360 3.337 10 0 FGAEMO C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000151613435 495895279 /nfs/dbraw/zinc/89/52/79/495895279.db2.gz ZQJHSFBJEJRVIM-KEYYUXOJSA-N 1 1 353.304 3.163 10 0 FGAEMO CC(C)c1nc([C@@H](C)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cs1 ZINC000186238309 495909654 /nfs/dbraw/zinc/90/96/54/495909654.db2.gz QMEXZLYTJVTGHW-QAPCUYQASA-N 1 1 359.539 3.336 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(Cc2csc(N(CC)C(C)=O)n2)C1 ZINC000171523570 495912260 /nfs/dbraw/zinc/91/22/60/495912260.db2.gz GCOPNZWZESKJQO-MRXNPFEDSA-N 1 1 361.515 3.112 10 0 FGAEMO COc1c(Cl)cc(Cl)cc1CN1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000180231559 495916787 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351.516 3.092 10 0 FGAEMO C[C@H](NC(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000171587494 495937872 /nfs/dbraw/zinc/93/78/72/495937872.db2.gz VAMNKXJKTNTYLQ-FZKCQIBNSA-N 1 1 351.516 3.092 10 0 FGAEMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(C)CC3)C1 ZINC000180302695 495942613 /nfs/dbraw/zinc/94/26/13/495942613.db2.gz UVNNGEURXFZNTF-QGZVFWFLSA-N 1 1 353.470 3.307 10 0 FGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCOCCc1ccccc1 ZINC000177154179 495952297 /nfs/dbraw/zinc/95/22/97/495952297.db2.gz YSMQVNPSXPIXKI-HXUWFJFHSA-N 1 1 355.482 3.222 10 0 FGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cnc(-c2ccncc2)s1 ZINC000177157089 495953434 /nfs/dbraw/zinc/95/34/34/495953434.db2.gz JMEVCGODLCBTMD-OAHLLOKOSA-N 1 1 353.451 3.015 10 0 FGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 ZINC000177184379 495965460 /nfs/dbraw/zinc/96/54/60/495965460.db2.gz YQABCCANCDXANU-MRXNPFEDSA-N 1 1 362.271 3.188 10 0 FGAEMO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000171649200 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374.872 3.019 10 0 FGAEMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc(C)c1OCc1cccnc1 ZINC000195331924 496892281 /nfs/dbraw/zinc/89/22/81/496892281.db2.gz VMDLOURGDYHUAQ-HXUWFJFHSA-N 1 1 365.477 3.198 10 0 FGAEMO Cc1csc([C@@H]2CCC[N@H+](CC(=O)NCCc3ccccc3C)C2)n1 ZINC000195330467 496892292 /nfs/dbraw/zinc/89/22/92/496892292.db2.gz LVERZJHOGABZPG-GOSISDBHSA-N 1 1 357.523 3.298 10 0 FGAEMO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)NCCc3ccccc3C)C2)n1 ZINC000195330467 496892297 /nfs/dbraw/zinc/89/22/97/496892297.db2.gz LVERZJHOGABZPG-GOSISDBHSA-N 1 1 357.523 3.298 10 0 FGAEMO CC[C@@H]1CN([C@H](C)C(=O)Nc2ccc(Cl)cc2C)CC[N@H+]1CCOC ZINC000247588445 496893475 /nfs/dbraw/zinc/89/34/75/496893475.db2.gz JGSRTXQTXOXSCD-NVXWUHKLSA-N 1 1 367.921 3.018 10 0 FGAEMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247598351 496894309 /nfs/dbraw/zinc/89/43/09/496894309.db2.gz KPXJVMASIOJRIU-MAUKXSAKSA-N 1 1 355.486 3.067 10 0 FGAEMO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247598351 496894316 /nfs/dbraw/zinc/89/43/16/496894316.db2.gz KPXJVMASIOJRIU-MAUKXSAKSA-N 1 1 355.486 3.067 10 0 FGAEMO CC[C@@H]1CN(Cc2coc(-c3cccc(Cl)c3)n2)CC[N@H+]1C[C@H](C)O ZINC000247607154 496895234 /nfs/dbraw/zinc/89/52/34/496895234.db2.gz LVZSQRGZRITBCD-KBXCAEBGSA-N 1 1 363.889 3.272 10 0 FGAEMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2cccnn2)C1 ZINC000247869963 496923009 /nfs/dbraw/zinc/92/30/09/496923009.db2.gz XJGSJXDZKOJLKR-ROUUACIJSA-N 1 1 367.497 3.021 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000191905538 496927197 /nfs/dbraw/zinc/92/71/97/496927197.db2.gz HCCWAPVEGZDZEN-INIZCTEOSA-N 1 1 366.546 3.467 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000191905538 496927203 /nfs/dbraw/zinc/92/72/03/496927203.db2.gz HCCWAPVEGZDZEN-INIZCTEOSA-N 1 1 366.546 3.467 10 0 FGAEMO O[C@]12CCCC[C@H]1C[N@@H+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000247943351 496930402 /nfs/dbraw/zinc/93/04/02/496930402.db2.gz DERHLFLFUYJCEY-FPOVZHCZSA-N 1 1 369.513 3.137 10 0 FGAEMO CCn1cc(C2CC[NH+](CC(=O)NCc3cccc(Cl)c3)CC2)cn1 ZINC000195500570 496939925 /nfs/dbraw/zinc/93/99/25/496939925.db2.gz PBXFUSVDOFFIGT-UHFFFAOYSA-N 1 1 360.889 3.052 10 0 FGAEMO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000195507085 496945204 /nfs/dbraw/zinc/94/52/04/496945204.db2.gz HSZLZMKPXCRHTM-SFHVURJKSA-N 1 1 357.498 3.327 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccn(-c4ccccc4F)n3)C2)no1 ZINC000188944365 496955597 /nfs/dbraw/zinc/95/55/97/496955597.db2.gz XYPYCXDANPCOJA-OAHLLOKOSA-N 1 1 355.417 3.158 10 0 FGAEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccn(-c4ccccc4F)n3)C2)no1 ZINC000188944365 496955602 /nfs/dbraw/zinc/95/56/02/496955602.db2.gz XYPYCXDANPCOJA-OAHLLOKOSA-N 1 1 355.417 3.158 10 0 FGAEMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000192008567 496962661 /nfs/dbraw/zinc/96/26/61/496962661.db2.gz HCGYDIFMWUXOFM-GOSISDBHSA-N 1 1 369.465 3.245 10 0 FGAEMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000192008567 496962667 /nfs/dbraw/zinc/96/26/67/496962667.db2.gz HCGYDIFMWUXOFM-GOSISDBHSA-N 1 1 369.465 3.245 10 0 FGAEMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000192008567 496962674 /nfs/dbraw/zinc/96/26/74/496962674.db2.gz HCGYDIFMWUXOFM-GOSISDBHSA-N 1 1 369.465 3.245 10 0 FGAEMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)CC1 ZINC000192008567 496962680 /nfs/dbraw/zinc/96/26/80/496962680.db2.gz HCGYDIFMWUXOFM-GOSISDBHSA-N 1 1 369.465 3.245 10 0 FGAEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000192099560 496994400 /nfs/dbraw/zinc/99/44/00/496994400.db2.gz IXQDCTLLBWFQCG-UHFFFAOYSA-N 1 1 360.498 3.263 10 0 FGAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000192099560 496994407 /nfs/dbraw/zinc/99/44/07/496994407.db2.gz IXQDCTLLBWFQCG-UHFFFAOYSA-N 1 1 360.498 3.263 10 0 FGAEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000192101944 496996079 /nfs/dbraw/zinc/99/60/79/496996079.db2.gz YVLLJWRMOAQFHB-UTKZUKDTSA-N 1 1 366.546 3.323 10 0 FGAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000192101944 496996086 /nfs/dbraw/zinc/99/60/86/496996086.db2.gz YVLLJWRMOAQFHB-UTKZUKDTSA-N 1 1 366.546 3.323 10 0 FGAEMO C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192158479 497017973 /nfs/dbraw/zinc/01/79/73/497017973.db2.gz SJKTVINFNKQGAL-QGZVFWFLSA-N 1 1 364.461 3.094 10 0 FGAEMO C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC000192158479 497017980 /nfs/dbraw/zinc/01/79/80/497017980.db2.gz SJKTVINFNKQGAL-QGZVFWFLSA-N 1 1 364.461 3.094 10 0 FGAEMO C[C@H]1CCCC[C@H]1NC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192224162 497039829 /nfs/dbraw/zinc/03/98/29/497039829.db2.gz QJTPFNZJDUMXLD-DOTOQJQBSA-N 1 1 367.534 3.013 10 0 FGAEMO C[C@H]1CCCC[C@H]1NC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192224162 497039832 /nfs/dbraw/zinc/03/98/32/497039832.db2.gz QJTPFNZJDUMXLD-DOTOQJQBSA-N 1 1 367.534 3.013 10 0 FGAEMO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192224150 497040091 /nfs/dbraw/zinc/04/00/91/497040091.db2.gz QJTPFNZJDUMXLD-RDJZCZTQSA-N 1 1 367.534 3.013 10 0 FGAEMO C[C@H]1CCCC[C@@H]1NC(=O)N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000192224150 497040095 /nfs/dbraw/zinc/04/00/95/497040095.db2.gz QJTPFNZJDUMXLD-RDJZCZTQSA-N 1 1 367.534 3.013 10 0 FGAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc3ccccc3o2)CC1 ZINC000192240936 497045313 /nfs/dbraw/zinc/04/53/13/497045313.db2.gz KTJOHMFXNPWDEP-UHFFFAOYSA-N 1 1 359.470 3.460 10 0 FGAEMO C[N@@H+](C[C@H](O)CCc1ccccc1)C[C@H](c1cccs1)N1CCOCC1 ZINC000248581803 497047376 /nfs/dbraw/zinc/04/73/76/497047376.db2.gz OWJXYUGVJAFDEQ-WOJBJXKFSA-N 1 1 374.550 3.047 10 0 FGAEMO C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C[C@H]1C ZINC000248579856 497047813 /nfs/dbraw/zinc/04/78/13/497047813.db2.gz FEDVJPOGWDHNPF-AGIUHOORSA-N 1 1 374.312 3.151 10 0 FGAEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCOCC(F)(F)C(F)(F)F ZINC000189215568 497047986 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/nfs/dbraw/zinc/25/81/77/497258177.db2.gz XJYJATQWZDIXTI-AEFFLSMTSA-N 1 1 362.495 3.256 10 0 FGAEMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000250507536 497266106 /nfs/dbraw/zinc/26/61/06/497266106.db2.gz ACQIOMWEZSKXQR-DYESRHJHSA-N 1 1 373.541 3.282 10 0 FGAEMO C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1cc(Cl)ccc1Cl ZINC000251560773 497276307 /nfs/dbraw/zinc/27/63/07/497276307.db2.gz GNRWPJMRIFEXLD-RWMBFGLXSA-N 1 1 374.312 3.151 10 0 FGAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccccn2)C1 ZINC000251727951 497284151 /nfs/dbraw/zinc/28/41/51/497284151.db2.gz MNAXMPSEYNHCHQ-ZBFHGGJFSA-N 1 1 373.526 3.071 10 0 FGAEMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C)C1 ZINC000251845128 497286388 /nfs/dbraw/zinc/28/63/88/497286388.db2.gz OTIBOJUFPJMSSJ-HYVNUMGLSA-N 1 1 364.559 3.494 10 0 FGAEMO C[C@@H]1CCC[C@H](NC(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[C@H]1C ZINC000251845906 497286723 /nfs/dbraw/zinc/28/67/23/497286723.db2.gz OWHGHWBSSZSBGO-BWPNAZKDSA-N 1 1 358.530 3.370 10 0 FGAEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000252353530 497298605 /nfs/dbraw/zinc/29/86/05/497298605.db2.gz ZRSISTZFCWSOLB-WBVHZDCISA-N 1 1 372.538 3.209 10 0 FGAEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc(I)cc1 ZINC000252520458 497310708 /nfs/dbraw/zinc/31/07/08/497310708.db2.gz QBAZEKOAVLCRKF-CJNGLKHVSA-N 1 1 370.278 3.350 10 0 FGAEMO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000252696331 497318331 /nfs/dbraw/zinc/31/83/31/497318331.db2.gz ZICRWYNATLZMLX-CBQOVEMMSA-N 1 1 358.526 3.439 10 0 FGAEMO CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)N[C@@H](C)CC(C)C)CC1 ZINC000190140127 497372466 /nfs/dbraw/zinc/37/24/66/497372466.db2.gz PCTLEWQJXYRYIX-INIZCTEOSA-N 1 1 369.550 3.259 10 0 FGAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)N[C@@H](C)CC(C)C)CC1 ZINC000190140127 497372470 /nfs/dbraw/zinc/37/24/70/497372470.db2.gz PCTLEWQJXYRYIX-INIZCTEOSA-N 1 1 369.550 3.259 10 0 FGAEMO 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O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cnc3ccc(Br)cn13)CC2 ZINC000093585113 700452351 /nfs/dbraw/zinc/45/23/51/700452351.db2.gz HTUKPASCDHSHAO-CXAGYDPISA-N 1 1 364.287 3.224 10 0 FGAEMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NOCc2ccc(C(F)(F)F)cc2)C1 ZINC000122431415 700689789 /nfs/dbraw/zinc/68/97/89/700689789.db2.gz DPZBDDKORMWNSY-DOMZBBRYSA-N 1 1 359.392 3.165 10 0 FGAEMO Cn1cc(CN2CCC[N@@H+](Cc3ccc(SC(F)F)cc3)CC2)cn1 ZINC000170943644 705367743 /nfs/dbraw/zinc/36/77/43/705367743.db2.gz XZJWJRIXFHJAPG-UHFFFAOYSA-N 1 1 366.481 3.443 10 0 FGAEMO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(SC(F)F)cc3)CC2)cn1 ZINC000170943644 705367745 /nfs/dbraw/zinc/36/77/45/705367745.db2.gz XZJWJRIXFHJAPG-UHFFFAOYSA-N 1 1 366.481 3.443 10 0 FGAEMO Cn1cc(C[N@H+]2CCCN(Cc3ccc(SC(F)F)cc3)CC2)cn1 ZINC000170943644 705367748 /nfs/dbraw/zinc/36/77/48/705367748.db2.gz XZJWJRIXFHJAPG-UHFFFAOYSA-N 1 1 366.481 3.443 10 0 FGAEMO C[C@@H]1CN(C(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000177677949 705634633 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CCOCC[N@H+]1CCN(C(=O)Nc2ccccc2CSC)C[C@@H]1C ZINC000184762182 712676109 /nfs/dbraw/zinc/67/61/09/712676109.db2.gz BIQQCEPJYDSYLW-HNNXBMFYSA-N 1 1 351.516 3.124 10 0 FGAEMO Cc1c(Cl)cnn1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000184804442 712676593 /nfs/dbraw/zinc/67/65/93/712676593.db2.gz UMQTYIYZXJLTAY-GUTXKFCHSA-N 1 1 354.882 3.038 10 0 FGAEMO Cc1c(Cl)cnn1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000184804442 712676595 /nfs/dbraw/zinc/67/65/95/712676595.db2.gz UMQTYIYZXJLTAY-GUTXKFCHSA-N 1 1 354.882 3.038 10 0 FGAEMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2ccc(Cl)nc2)CC1 ZINC000190349092 712812469 /nfs/dbraw/zinc/81/24/69/712812469.db2.gz SJBLTQNBGIJJMH-UHFFFAOYSA-N 1 1 367.921 3.363 10 0 FGAEMO O=C(NCc1ccco1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000192098606 712850377 /nfs/dbraw/zinc/85/03/77/712850377.db2.gz ZQLFARLJDRMPTP-HZPDHXFCSA-N 1 1 352.356 3.206 10 0 FGAEMO O[C@H](C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)c1cccc(Br)c1 ZINC000248141047 713646122 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AETBZIFAVACSHY-PKOBYXMFSA-N 1 1 358.413 3.156 10 0 FGAEMO O=C(C[N@H+]1CCC[C@H]1c1ccco1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000246787776 497810822 /nfs/dbraw/zinc/81/08/22/497810822.db2.gz AETBZIFAVACSHY-PKOBYXMFSA-N 1 1 358.413 3.156 10 0 FGAEMO CC(C)c1noc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CCO[C@H](C)C2)n1 ZINC000246802608 497812345 /nfs/dbraw/zinc/81/23/45/497812345.db2.gz BGMODWJYLXEWIT-KFWWJZLASA-N 1 1 364.515 3.367 10 0 FGAEMO Cc1ccc(NC(=O)c2ccc(NC[C@H](C)[N@@H+]3CCOC[C@@H]3C)nc2)cc1 ZINC000301226467 498009749 /nfs/dbraw/zinc/00/97/49/498009749.db2.gz GFFZWTYEVUULSS-IRXDYDNUSA-N 1 1 368.481 3.163 10 0 FGAEMO Cc1ccc(NC(=O)c2ccc(NC[C@H](C)[N@H+]3CCOC[C@@H]3C)nc2)cc1 ZINC000301226467 498009752 /nfs/dbraw/zinc/00/97/52/498009752.db2.gz GFFZWTYEVUULSS-IRXDYDNUSA-N 1 1 368.481 3.163 10 0 FGAEMO Cc1[nH+]ccn1C[C@H]1CCCN1c1nc(-c2ccncc2)nc2c1CCC2 ZINC000301583843 498174053 /nfs/dbraw/zinc/17/40/53/498174053.db2.gz OIJRZWGSKGYOLK-QGZVFWFLSA-N 1 1 360.465 3.201 10 0 FGAEMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1c(F)c(F)nc(F)c1F ZINC000301601247 498181570 /nfs/dbraw/zinc/18/15/70/498181570.db2.gz JCZRQFNIRAOLAP-JQWIXIFHSA-N 1 1 354.351 3.356 10 0 FGAEMO COc1ccc2nc(C)nc(N3CCC[C@@H](Cc4[nH+]ccn4C)C3)c2c1 ZINC000301939584 498338167 /nfs/dbraw/zinc/33/81/67/498338167.db2.gz VHMYYLMBQVAMDA-HNNXBMFYSA-N 1 1 351.454 3.139 10 0 FGAEMO C[N@@H+](C[C@@H]1CCc2nc(C(F)(F)F)cn2C1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000328651417 498890432 /nfs/dbraw/zinc/89/04/32/498890432.db2.gz VWWBCGBLKKDHGM-PNPHSEOMSA-N 1 1 365.399 3.054 10 0 FGAEMO COC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000390651008 499554924 /nfs/dbraw/zinc/55/49/24/499554924.db2.gz NLWYBXQBDZKJNJ-AYHJJNSGSA-N 1 1 354.450 3.351 10 0 FGAEMO Oc1cccc2c1CC[C@@H]2NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390670800 499555358 /nfs/dbraw/zinc/55/53/58/499555358.db2.gz RZKMVHGECAVHEB-RXVVDRJESA-N 1 1 352.478 3.260 10 0 FGAEMO Oc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390670800 499555360 /nfs/dbraw/zinc/55/53/60/499555360.db2.gz RZKMVHGECAVHEB-RXVVDRJESA-N 1 1 352.478 3.260 10 0 FGAEMO CCc1noc([C@]2(O)CC[N@H+](Cc3ccc(Oc4ccccc4)o3)C2)n1 ZINC000377834266 499740478 /nfs/dbraw/zinc/74/04/78/499740478.db2.gz KFQUHQBKPWAOGU-IBGZPJMESA-N 1 1 355.394 3.111 10 0 FGAEMO CCc1noc([C@]2(O)CC[N@@H+](Cc3ccc(Oc4ccccc4)o3)C2)n1 ZINC000377834266 499740479 /nfs/dbraw/zinc/74/04/79/499740479.db2.gz KFQUHQBKPWAOGU-IBGZPJMESA-N 1 1 355.394 3.111 10 0 FGAEMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 ZINC000276126175 524760914 /nfs/dbraw/zinc/76/09/14/524760914.db2.gz YBONGQSSUMOTTH-DYESRHJHSA-N 1 1 369.509 3.184 10 0 FGAEMO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2nc3c(n2C)CCCC3)c1 ZINC000276126175 524760926 /nfs/dbraw/zinc/76/09/26/524760926.db2.gz YBONGQSSUMOTTH-DYESRHJHSA-N 1 1 369.509 3.184 10 0 FGAEMO