smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(Cl)cc1CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161170809 197471585 /nfs/dbraw/zinc/47/15/85/197471585.db2.gz CZPJPJVLJPBNPC-UHFFFAOYSA-N 1 2 314.794 2.197 20 70 DEIDLO COc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159776352 197363592 /nfs/dbraw/zinc/36/35/92/197363592.db2.gz JVRSERTWJMTSEJ-AWEZNQCLSA-N 1 2 312.373 2.491 20 70 DEIDLO CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465155 402324188 /nfs/dbraw/zinc/32/41/88/402324188.db2.gz UBXZIHDWNTXHFE-DNVCBOLYSA-N 1 2 316.445 2.321 20 70 DEIDLO CC(C)[C@@H](C)NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465155 402324189 /nfs/dbraw/zinc/32/41/89/402324189.db2.gz UBXZIHDWNTXHFE-DNVCBOLYSA-N 1 2 316.445 2.321 20 70 DEIDLO CC[N@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160537053 402349895 /nfs/dbraw/zinc/34/98/95/402349895.db2.gz CHKXVOJNXOQJFR-NSHDSACASA-N 1 2 302.465 2.276 20 70 DEIDLO CC[N@@H+](Cc1cnc(C(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160537053 402349898 /nfs/dbraw/zinc/34/98/98/402349898.db2.gz CHKXVOJNXOQJFR-NSHDSACASA-N 1 2 302.465 2.276 20 70 DEIDLO O=C1NCCN(Cc2c[nH+]c3ccccn23)[C@H]1c1ccccc1 ZINC000160536919 402349999 /nfs/dbraw/zinc/34/99/99/402349999.db2.gz QXJYMSCENIDXGL-KRWDZBQOSA-N 1 2 306.369 2.007 20 70 DEIDLO Cc1ccc(C)c(OC2CC[NH+](Cc3nncn3C)CC2)c1 ZINC000160842016 402362628 /nfs/dbraw/zinc/36/26/28/402362628.db2.gz AVSSTUVPCMCJEH-UHFFFAOYSA-N 1 2 300.406 2.475 20 70 DEIDLO C[C@H](N1CCN(Cc2c[nH+]c3ccccn23)CC1)C(F)(F)F ZINC000160963344 402367234 /nfs/dbraw/zinc/36/72/34/402367234.db2.gz ZPIPOHSEFGYUSJ-LBPRGKRZSA-N 1 2 312.339 2.403 20 70 DEIDLO CCCN(Cc1c[nH+]c2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161100419 402372682 /nfs/dbraw/zinc/37/26/82/402372682.db2.gz UUGLQRRYURAKAZ-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@H+](Cc1cnc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161100419 402372683 /nfs/dbraw/zinc/37/26/83/402372683.db2.gz UUGLQRRYURAKAZ-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@@H+](Cc1cnc2c(C)cccn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161100419 402372685 /nfs/dbraw/zinc/37/26/85/402372685.db2.gz UUGLQRRYURAKAZ-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCCN(Cc1c[nH+]c2c(C)cccn12)[C@H]1CCS(=O)(=O)C1 ZINC000161100547 402372752 /nfs/dbraw/zinc/37/27/52/402372752.db2.gz UUGLQRRYURAKAZ-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@H+](Cc1cnc2c(C)cccn12)[C@H]1CCS(=O)(=O)C1 ZINC000161100547 402372754 /nfs/dbraw/zinc/37/27/54/402372754.db2.gz UUGLQRRYURAKAZ-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@@H+](Cc1cnc2c(C)cccn12)[C@H]1CCS(=O)(=O)C1 ZINC000161100547 402372757 /nfs/dbraw/zinc/37/27/57/402372757.db2.gz UUGLQRRYURAKAZ-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1cnn(C)c1 ZINC000161092823 402372906 /nfs/dbraw/zinc/37/29/06/402372906.db2.gz KCMULDFPECHDGO-UHFFFAOYSA-N 1 2 306.454 2.279 20 70 DEIDLO CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)Cc1cnn(C)c1 ZINC000161092823 402372908 /nfs/dbraw/zinc/37/29/08/402372908.db2.gz KCMULDFPECHDGO-UHFFFAOYSA-N 1 2 306.454 2.279 20 70 DEIDLO CCO[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161322292 402382669 /nfs/dbraw/zinc/38/26/69/402382669.db2.gz OJGLHSPCGCWFQJ-ZDUSSCGKSA-N 1 2 310.825 2.409 20 70 DEIDLO Cc1[nH]c(=O)ccc1C(=O)NCCCCNc1cccc[nH+]1 ZINC000161431065 527006010 /nfs/dbraw/zinc/00/60/10/527006010.db2.gz DTDILDTTZZAJOL-UHFFFAOYSA-N 1 2 300.362 2.113 20 70 DEIDLO O=C(NCCCNc1cccc[nH+]1)[C@H]1OCCc2ccccc21 ZINC000160435211 527678466 /nfs/dbraw/zinc/67/84/66/527678466.db2.gz FQWCBSWGRZGLNN-KRWDZBQOSA-N 1 2 311.385 2.314 20 70 DEIDLO CC(C)OC1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000159573340 539582621 /nfs/dbraw/zinc/58/26/21/539582621.db2.gz LTIYBVBJZMHKKV-VQCLRJIVSA-N 1 2 305.422 2.298 20 70 DEIDLO CC(C)OC(=O)CCCNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160261586 197396885 /nfs/dbraw/zinc/39/68/85/197396885.db2.gz GFHQNSBIKMGYGS-UHFFFAOYSA-N 1 2 309.414 2.205 20 70 DEIDLO CC(C)OC(=O)CCCNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160261586 197396887 /nfs/dbraw/zinc/39/68/87/197396887.db2.gz GFHQNSBIKMGYGS-UHFFFAOYSA-N 1 2 309.414 2.205 20 70 DEIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000160185579 197392233 /nfs/dbraw/zinc/39/22/33/197392233.db2.gz ZPAYSLFIDYFNFX-MRXNPFEDSA-N 1 2 324.428 2.184 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)c1ccccc1 ZINC000159927150 291661348 /nfs/dbraw/zinc/66/13/48/291661348.db2.gz KQGKWNRBYGDXCB-CQSZACIVSA-N 1 2 308.447 2.103 20 70 DEIDLO COc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159776225 197363179 /nfs/dbraw/zinc/36/31/79/197363179.db2.gz JVRSERTWJMTSEJ-CQSZACIVSA-N 1 2 312.373 2.491 20 70 DEIDLO CCc1nnc(C[N@@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)[nH]1 ZINC000159411365 402323344 /nfs/dbraw/zinc/32/33/44/402323344.db2.gz QBVXPCOXOSGAEE-RYUDHWBXSA-N 1 2 323.441 2.245 20 70 DEIDLO CCc1nnc(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)[nH]1 ZINC000159411365 402323347 /nfs/dbraw/zinc/32/33/47/402323347.db2.gz QBVXPCOXOSGAEE-RYUDHWBXSA-N 1 2 323.441 2.245 20 70 DEIDLO C[C@@H](Cc1ccccc1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160358059 402342011 /nfs/dbraw/zinc/34/20/11/402342011.db2.gz XCSBHWCHHHTDEB-GXTWGEPZSA-N 1 2 301.365 2.332 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1csc(C2CC2)n1 ZINC000161429858 402386984 /nfs/dbraw/zinc/38/69/84/402386984.db2.gz ALZXPTSVVZYQBB-LBPRGKRZSA-N 1 2 314.414 2.424 20 70 DEIDLO Cc1cccc2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)cc(=O)n12 ZINC000160540150 402350145 /nfs/dbraw/zinc/35/01/45/402350145.db2.gz OKTOWTCUIDMMKN-UHFFFAOYSA-N 1 2 323.400 2.106 20 70 DEIDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccccc2O)CC1 ZINC000160677639 402356645 /nfs/dbraw/zinc/35/66/45/402356645.db2.gz IYJWPJWUZJTAQH-UHFFFAOYSA-N 1 2 300.406 2.492 20 70 DEIDLO CC1(C)C[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCO1 ZINC000160713266 402357991 /nfs/dbraw/zinc/35/79/91/402357991.db2.gz UWWFNUIJHZQNAI-UONOGXRCSA-N 1 2 320.437 2.055 20 70 DEIDLO CC1(C)C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCO1 ZINC000160713266 402357993 /nfs/dbraw/zinc/35/79/93/402357993.db2.gz UWWFNUIJHZQNAI-UONOGXRCSA-N 1 2 320.437 2.055 20 70 DEIDLO CN(C)c1[nH+]cccc1NC(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000160790494 402360918 /nfs/dbraw/zinc/36/09/18/402360918.db2.gz CFWRURRGHFYWGF-UHFFFAOYSA-N 1 2 324.384 2.292 20 70 DEIDLO CCNc1nc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000160953522 402367268 /nfs/dbraw/zinc/36/72/68/402367268.db2.gz KJNYWPIBWFOWTE-GFCCVEGCSA-N 1 2 318.402 2.263 20 70 DEIDLO CCc1c(C(=O)N(C)Cc2[nH+]ccn2C)cnn1CC(C)C ZINC000160162242 402337499 /nfs/dbraw/zinc/33/74/99/402337499.db2.gz YLMTWXRGZFRZRO-UHFFFAOYSA-N 1 2 303.410 2.107 20 70 DEIDLO CCn1nccc1C[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000160647884 520366720 /nfs/dbraw/zinc/36/67/20/520366720.db2.gz QJKTWHOWIAEGSI-UHFFFAOYSA-N 1 2 316.405 2.372 20 70 DEIDLO CCn1nccc1C[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000160647884 520366723 /nfs/dbraw/zinc/36/67/23/520366723.db2.gz QJKTWHOWIAEGSI-UHFFFAOYSA-N 1 2 316.405 2.372 20 70 DEIDLO Cc1cccc(OC[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160357261 524761149 /nfs/dbraw/zinc/76/11/49/524761149.db2.gz YCKMAEFPCVAJHF-GJZGRUSLSA-N 1 2 313.401 2.338 20 70 DEIDLO CCOc1ccccc1CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161283741 539590513 /nfs/dbraw/zinc/59/05/13/539590513.db2.gz VQFCKSOZAOCBMC-HNNXBMFYSA-N 1 2 313.401 2.203 20 70 DEIDLO CC(C)[C@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000160059531 291662378 /nfs/dbraw/zinc/66/23/78/291662378.db2.gz KQTBJAGLHJIXFC-HNNXBMFYSA-N 1 2 314.495 2.135 20 70 DEIDLO C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160358182 402342062 /nfs/dbraw/zinc/34/20/62/402342062.db2.gz XCSBHWCHHHTDEB-TZMCWYRMSA-N 1 2 301.365 2.332 20 70 DEIDLO CC[N@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000160588493 402352772 /nfs/dbraw/zinc/35/27/72/402352772.db2.gz FLOGDVFIKBVAQS-ZDUSSCGKSA-N 1 2 323.414 2.450 20 70 DEIDLO CC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@H]1CCS(=O)(=O)C1 ZINC000160588493 402352773 /nfs/dbraw/zinc/35/27/73/402352773.db2.gz FLOGDVFIKBVAQS-ZDUSSCGKSA-N 1 2 323.414 2.450 20 70 DEIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(CO)o1 ZINC000160928008 402366049 /nfs/dbraw/zinc/36/60/49/402366049.db2.gz NMOKGQYGBXMRCK-UHFFFAOYSA-N 1 2 302.374 2.459 20 70 DEIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(CO)o1 ZINC000160928008 402366051 /nfs/dbraw/zinc/36/60/51/402366051.db2.gz NMOKGQYGBXMRCK-UHFFFAOYSA-N 1 2 302.374 2.459 20 70 DEIDLO Cc1cccc(C)c1-n1nnnc1SCCn1cc[nH+]c1 ZINC000159724769 402328651 /nfs/dbraw/zinc/32/86/51/402328651.db2.gz GYWQNJSIYWCAIU-UHFFFAOYSA-N 1 2 300.391 2.268 20 70 DEIDLO CC1CCC(N(C)C(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000159759715 402330280 /nfs/dbraw/zinc/33/02/80/402330280.db2.gz JWUMCJXIPRIMBW-UHFFFAOYSA-N 1 2 314.495 2.089 20 70 DEIDLO COc1cc(Cl)ccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161495838 402389406 /nfs/dbraw/zinc/38/94/06/402389406.db2.gz VICWVEPYSGWYLT-NSHDSACASA-N 1 2 319.792 2.424 20 70 DEIDLO COCCC1(CNC(=O)NCCCNc2cccc[nH+]2)CCC1 ZINC000161035315 523041174 /nfs/dbraw/zinc/04/11/74/523041174.db2.gz SQVVYMATZAOGBP-UHFFFAOYSA-N 1 2 320.437 2.390 20 70 DEIDLO Cc1cc(C[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[nH]n1 ZINC000161366563 524837794 /nfs/dbraw/zinc/83/77/94/524837794.db2.gz CRTBHETWCAJGRQ-ZDUSSCGKSA-N 1 2 323.400 2.324 20 70 DEIDLO Cc1cc(C[C@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000161366563 524837802 /nfs/dbraw/zinc/83/78/02/524837802.db2.gz CRTBHETWCAJGRQ-ZDUSSCGKSA-N 1 2 323.400 2.324 20 70 DEIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553419 186127040 /nfs/dbraw/zinc/12/70/40/186127040.db2.gz VWYLEAGTJJYBFF-CZUORRHYSA-N 1 2 315.417 2.303 20 70 DEIDLO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc(C)c1F ZINC000160330536 402340883 /nfs/dbraw/zinc/34/08/83/402340883.db2.gz SFUVACJBVPDDMW-UHFFFAOYSA-N 1 2 308.397 2.283 20 70 DEIDLO Cc1nnc(C[NH+]2CCC(c3ccnn3C)CC2)n1C1CC1 ZINC000160525865 402349515 /nfs/dbraw/zinc/34/95/15/402349515.db2.gz PWHUZBHCNGNEST-UHFFFAOYSA-N 1 2 300.410 2.035 20 70 DEIDLO CCNc1nc(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000160953396 402367024 /nfs/dbraw/zinc/36/70/24/402367024.db2.gz KJNYWPIBWFOWTE-LBPRGKRZSA-N 1 2 318.402 2.263 20 70 DEIDLO CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1cnn(C)c1 ZINC000161089725 402372526 /nfs/dbraw/zinc/37/25/26/402372526.db2.gz JUXOWWPFIAMBKW-LBPRGKRZSA-N 1 2 306.435 2.181 20 70 DEIDLO CC[N@@H+](CC(=O)N[C@@H](C)c1cccs1)Cc1cnn(C)c1 ZINC000161089725 402372530 /nfs/dbraw/zinc/37/25/30/402372530.db2.gz JUXOWWPFIAMBKW-LBPRGKRZSA-N 1 2 306.435 2.181 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161121772 402374118 /nfs/dbraw/zinc/37/41/18/402374118.db2.gz FDQLPVJLFVZLFC-NSHDSACASA-N 1 2 321.450 2.343 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161121772 402374120 /nfs/dbraw/zinc/37/41/20/402374120.db2.gz FDQLPVJLFVZLFC-NSHDSACASA-N 1 2 321.450 2.343 20 70 DEIDLO Cn1cc(NC(=O)NCCNc2ccc3ccccc3[nH+]2)cn1 ZINC000161161436 402376088 /nfs/dbraw/zinc/37/60/88/402376088.db2.gz NRHYLQYDOCVFAT-UHFFFAOYSA-N 1 2 310.361 2.202 20 70 DEIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000159698784 402329005 /nfs/dbraw/zinc/32/90/05/402329005.db2.gz IZIRJXIRNZZAPK-HNNXBMFYSA-N 1 2 324.465 2.443 20 70 DEIDLO CCS[C@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159772530 402330242 /nfs/dbraw/zinc/33/02/42/402330242.db2.gz AKBNOPZPJZNTQW-LLVKDONJSA-N 1 2 317.480 2.449 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128101 402337041 /nfs/dbraw/zinc/33/70/41/402337041.db2.gz CBDXCGXNZGZPAK-ROUUACIJSA-N 1 2 303.402 2.448 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128101 402337042 /nfs/dbraw/zinc/33/70/42/402337042.db2.gz CBDXCGXNZGZPAK-ROUUACIJSA-N 1 2 303.402 2.448 20 70 DEIDLO CCc1nnc(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)[nH]1 ZINC000160433297 522343523 /nfs/dbraw/zinc/34/35/23/522343523.db2.gz RAIHXHGRKFXXQN-VIFPVBQESA-N 1 2 308.357 2.374 20 70 DEIDLO COC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151484 197389417 /nfs/dbraw/zinc/38/94/17/197389417.db2.gz ADUIJIFTSCXJBM-GFCCVEGCSA-N 1 2 319.336 2.228 20 70 DEIDLO COC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151484 197389418 /nfs/dbraw/zinc/38/94/18/197389418.db2.gz ADUIJIFTSCXJBM-GFCCVEGCSA-N 1 2 319.336 2.228 20 70 DEIDLO c1csc(-c2nc(CSCC[NH+]3CCOCC3)no2)c1 ZINC000159874868 291660357 /nfs/dbraw/zinc/66/03/57/291660357.db2.gz WKKPVTDNORQRDO-UHFFFAOYSA-N 1 2 311.432 2.364 20 70 DEIDLO CCc1nnc(C[N@H+](CCCO)Cc2cccc(Cl)c2)[nH]1 ZINC000159370501 197348451 /nfs/dbraw/zinc/34/84/51/197348451.db2.gz LDTUPHKBDDZTMJ-UHFFFAOYSA-N 1 2 308.813 2.405 20 70 DEIDLO CCc1nnc(C[N@@H+](CCCO)Cc2cccc(Cl)c2)[nH]1 ZINC000159370501 197348452 /nfs/dbraw/zinc/34/84/52/197348452.db2.gz LDTUPHKBDDZTMJ-UHFFFAOYSA-N 1 2 308.813 2.405 20 70 DEIDLO O=C(CCc1nc(C2CCCC2)no1)Nc1cc[nH+]cc1O ZINC000160755186 402359590 /nfs/dbraw/zinc/35/95/90/402359590.db2.gz OLXSJOFFTSNZEA-UHFFFAOYSA-N 1 2 302.334 2.399 20 70 DEIDLO CC[N@H+](CC(=O)N[C@H](C)c1cccs1)Cc1cnn(C)c1 ZINC000161089838 402372619 /nfs/dbraw/zinc/37/26/19/402372619.db2.gz JUXOWWPFIAMBKW-GFCCVEGCSA-N 1 2 306.435 2.181 20 70 DEIDLO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)Cc1cnn(C)c1 ZINC000161089838 402372621 /nfs/dbraw/zinc/37/26/21/402372621.db2.gz JUXOWWPFIAMBKW-GFCCVEGCSA-N 1 2 306.435 2.181 20 70 DEIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@](C)(O)C2)c1 ZINC000161218680 402378280 /nfs/dbraw/zinc/37/82/80/402378280.db2.gz NSRSYWCZVBGYNH-KRWDZBQOSA-N 1 2 314.389 2.466 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc3c(c2)OCO3)n1 ZINC000160563470 523832576 /nfs/dbraw/zinc/83/25/76/523832576.db2.gz PUOFEPULXWIFEH-UHFFFAOYSA-N 1 2 301.346 2.105 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc3c(c2)OCO3)n1 ZINC000160563470 523832581 /nfs/dbraw/zinc/83/25/81/523832581.db2.gz PUOFEPULXWIFEH-UHFFFAOYSA-N 1 2 301.346 2.105 20 70 DEIDLO CCC(CC)CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160325598 539585481 /nfs/dbraw/zinc/58/54/81/539585481.db2.gz CYKHNHQRQCGFHE-UHFFFAOYSA-N 1 2 304.438 2.345 20 70 DEIDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@H]1CCCCO1)c1cccc(F)c1 ZINC000160319289 197399710 /nfs/dbraw/zinc/39/97/10/197399710.db2.gz OAPQKVUZSMCRMS-HUUCEWRRSA-N 1 2 317.364 2.334 20 70 DEIDLO C[C@H]1OCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H]1C ZINC000159368317 197348991 /nfs/dbraw/zinc/34/89/91/197348991.db2.gz AJDLFAAYVWUKNO-ZIAGYGMSSA-N 1 2 318.421 2.001 20 70 DEIDLO C[C@@]1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCS1 ZINC000160736152 402358979 /nfs/dbraw/zinc/35/89/79/402358979.db2.gz IPFKUVNLMCPNJB-INIZCTEOSA-N 1 2 322.478 2.347 20 70 DEIDLO CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC3(C)C)c2)CC1 ZINC000161040466 402370176 /nfs/dbraw/zinc/37/01/76/402370176.db2.gz UXLQQWPIUPPMPL-INIZCTEOSA-N 1 2 301.434 2.419 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1C ZINC000161115285 402373565 /nfs/dbraw/zinc/37/35/65/402373565.db2.gz XQVOYLOOVOEJHN-OAHLLOKOSA-N 1 2 314.433 2.255 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1C ZINC000161115285 402373568 /nfs/dbraw/zinc/37/35/68/402373568.db2.gz XQVOYLOOVOEJHN-OAHLLOKOSA-N 1 2 314.433 2.255 20 70 DEIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000161127532 402374132 /nfs/dbraw/zinc/37/41/32/402374132.db2.gz NCMFKEMNEMXGAS-AWEZNQCLSA-N 1 2 315.421 2.281 20 70 DEIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000161127532 402374135 /nfs/dbraw/zinc/37/41/35/402374135.db2.gz NCMFKEMNEMXGAS-AWEZNQCLSA-N 1 2 315.421 2.281 20 70 DEIDLO CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153849 402375421 /nfs/dbraw/zinc/37/54/21/402375421.db2.gz HPAXYMFAVVMEFO-SUMWQHHRSA-N 1 2 314.433 2.458 20 70 DEIDLO CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153849 402375423 /nfs/dbraw/zinc/37/54/23/402375423.db2.gz HPAXYMFAVVMEFO-SUMWQHHRSA-N 1 2 314.433 2.458 20 70 DEIDLO O=C(NCc1[nH]cc[nH+]1)c1cc(F)c(F)cc1Br ZINC000159744449 402329711 /nfs/dbraw/zinc/32/97/11/402329711.db2.gz BKGSJOVVLXLQGO-UHFFFAOYSA-N 1 2 316.105 2.380 20 70 DEIDLO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H]2OC)c[nH+]1 ZINC000160069364 402335535 /nfs/dbraw/zinc/33/55/35/402335535.db2.gz LBEVNEIBQFTBPU-HUUCEWRRSA-N 1 2 320.437 2.295 20 70 DEIDLO O=C(NCCCn1cc[nH+]c1)NCC1(c2cccc(F)c2)CC1 ZINC000160796596 526289757 /nfs/dbraw/zinc/28/97/57/526289757.db2.gz LRRFWXJXVYEUAV-UHFFFAOYSA-N 1 2 316.380 2.443 20 70 DEIDLO c1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159970353 526458983 /nfs/dbraw/zinc/45/89/83/526458983.db2.gz MVYGYSYVYGILFQ-UHFFFAOYSA-N 1 2 305.403 2.302 20 70 DEIDLO COc1cccc(N2CC[NH+](Cc3cnc4cnccn34)CC2)c1 ZINC000160684698 291669242 /nfs/dbraw/zinc/66/92/42/291669242.db2.gz AEPWCMQCWNKIRN-UHFFFAOYSA-N 1 2 323.400 2.060 20 70 DEIDLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000160962714 402367049 /nfs/dbraw/zinc/36/70/49/402367049.db2.gz HUPJPSVUEZUTDL-UHFFFAOYSA-N 1 2 312.417 2.185 20 70 DEIDLO COCCC1(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000161021585 402369370 /nfs/dbraw/zinc/36/93/70/402369370.db2.gz JYDBLSMEDNGKHM-LSDHHAIUSA-N 1 2 320.437 2.292 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1c(F)cccc1Cl ZINC000161167161 402375852 /nfs/dbraw/zinc/37/58/52/402375852.db2.gz KHUXTEVSTFQGML-UHFFFAOYSA-N 1 2 302.758 2.328 20 70 DEIDLO CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000161169713 402376144 /nfs/dbraw/zinc/37/61/44/402376144.db2.gz IKRVGWJHHZJPSF-CYBMUJFWSA-N 1 2 312.373 2.274 20 70 DEIDLO Cc1ccc2nc(CN3CC[NH+](Cc4ccncc4)CC3)cn2c1 ZINC000161196059 402376889 /nfs/dbraw/zinc/37/68/89/402376889.db2.gz QCGQZTYBCUPCEG-UHFFFAOYSA-N 1 2 321.428 2.356 20 70 DEIDLO COC(=O)C(C)(C)[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000159530213 522803348 /nfs/dbraw/zinc/80/33/48/522803348.db2.gz BHMYHKWZAYWMFG-UHFFFAOYSA-N 1 2 303.362 2.210 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000159972801 525975207 /nfs/dbraw/zinc/97/52/07/525975207.db2.gz GGEMBNHYOYTDGV-GFCCVEGCSA-N 1 2 312.410 2.218 20 70 DEIDLO COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160094340 197385669 /nfs/dbraw/zinc/38/56/69/197385669.db2.gz KAGLGPJUJCUJHC-NWDGAFQWSA-N 1 2 317.364 2.471 20 70 DEIDLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159589311 402326326 /nfs/dbraw/zinc/32/63/26/402326326.db2.gz CHQBQYOZBPCRPM-GOSISDBHSA-N 1 2 302.418 2.027 20 70 DEIDLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159589311 402326329 /nfs/dbraw/zinc/32/63/29/402326329.db2.gz CHQBQYOZBPCRPM-GOSISDBHSA-N 1 2 302.418 2.027 20 70 DEIDLO CC(C)n1ccnc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000160674032 402356723 /nfs/dbraw/zinc/35/67/23/402356723.db2.gz PQZVOHQURWQTIG-UHFFFAOYSA-N 1 2 300.406 2.492 20 70 DEIDLO CC(C)n1cc[nH+]c1CN1CCN(c2ccc(O)cc2)CC1 ZINC000160674032 402356724 /nfs/dbraw/zinc/35/67/24/402356724.db2.gz PQZVOHQURWQTIG-UHFFFAOYSA-N 1 2 300.406 2.492 20 70 DEIDLO CC[C@](C)(NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1nccs1 ZINC000160795496 402360937 /nfs/dbraw/zinc/36/09/37/402360937.db2.gz QVFWORCQWSYNHV-FZMZJTMJSA-N 1 2 307.423 2.353 20 70 DEIDLO CCn1ncc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc21 ZINC000160893512 402364773 /nfs/dbraw/zinc/36/47/73/402364773.db2.gz WSMUXIOBXMZBMA-GFCCVEGCSA-N 1 2 309.373 2.454 20 70 DEIDLO COc1ccc(CN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC000161376638 402385174 /nfs/dbraw/zinc/38/51/74/402385174.db2.gz QSVJVKFADMSWFU-OAHLLOKOSA-N 1 2 313.401 2.421 20 70 DEIDLO COCc1nc2n(n1)C[C@@H](Nc1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC000161373129 402385252 /nfs/dbraw/zinc/38/52/52/402385252.db2.gz BRAKKUCGHGGJSA-LBPRGKRZSA-N 1 2 316.409 2.073 20 70 DEIDLO COCCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160123616 402336593 /nfs/dbraw/zinc/33/65/93/402336593.db2.gz TUXMJAGIFZQLQF-CYBMUJFWSA-N 1 2 315.373 2.109 20 70 DEIDLO C[C@@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCN(C)CC1 ZINC000160151299 524645602 /nfs/dbraw/zinc/64/56/02/524645602.db2.gz WMMIRQFGTBUONE-BHMZLHOFSA-N 1 2 315.461 2.232 20 70 DEIDLO O=C([C@H]1CCCO1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000161013317 526543646 /nfs/dbraw/zinc/54/36/46/526543646.db2.gz PWDBFABYSVLTRN-XKKXFUJGSA-N 1 2 318.392 2.162 20 70 DEIDLO Cc1cncc(/C=C/C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000159587095 186128882 /nfs/dbraw/zinc/12/88/82/186128882.db2.gz OKDHRGZKIVBSOK-AATRIKPKSA-N 1 2 308.385 2.147 20 70 DEIDLO Cn1ccnc1C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000160752813 355966916 /nfs/dbraw/zinc/96/69/16/355966916.db2.gz KGIYMEPPTFDANI-UHFFFAOYSA-N 1 2 324.428 2.477 20 70 DEIDLO Cn1ccnc1C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000160752813 355966918 /nfs/dbraw/zinc/96/69/18/355966918.db2.gz KGIYMEPPTFDANI-UHFFFAOYSA-N 1 2 324.428 2.477 20 70 DEIDLO Cn1cc[nH+]c1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000160752813 355966920 /nfs/dbraw/zinc/96/69/20/355966920.db2.gz KGIYMEPPTFDANI-UHFFFAOYSA-N 1 2 324.428 2.477 20 70 DEIDLO O=C(NCc1cc(-c2ccccc2)on1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161130250 291672554 /nfs/dbraw/zinc/67/25/54/291672554.db2.gz ARQVPAIVURCSQJ-CQSZACIVSA-N 1 2 322.368 2.417 20 70 DEIDLO Cc1noc(CNC(=O)Nc2cccc(-c3[nH+]ccn3C)c2)n1 ZINC000159569632 402325810 /nfs/dbraw/zinc/32/58/10/402325810.db2.gz VXFHJMBEADTXHT-UHFFFAOYSA-N 1 2 312.333 2.100 20 70 DEIDLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000160316105 402340669 /nfs/dbraw/zinc/34/06/69/402340669.db2.gz YPGUSNZIOKZQRE-LBPRGKRZSA-N 1 2 312.797 2.197 20 70 DEIDLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000160316105 402340670 /nfs/dbraw/zinc/34/06/70/402340670.db2.gz YPGUSNZIOKZQRE-LBPRGKRZSA-N 1 2 312.797 2.197 20 70 DEIDLO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160593282 402353445 /nfs/dbraw/zinc/35/34/45/402353445.db2.gz OFHGKGFFCYXDIF-CABCVRRESA-N 1 2 321.446 2.122 20 70 DEIDLO C[N@@H+](Cc1cnc2ccccn12)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160593282 402353448 /nfs/dbraw/zinc/35/34/48/402353448.db2.gz OFHGKGFFCYXDIF-CABCVRRESA-N 1 2 321.446 2.122 20 70 DEIDLO CC(C)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160900844 402364609 /nfs/dbraw/zinc/36/46/09/402364609.db2.gz RJXBBJYJGZUKNQ-HNNXBMFYSA-N 1 2 304.438 2.343 20 70 DEIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(OC2CCCC2)CC1 ZINC000161089518 402371956 /nfs/dbraw/zinc/37/19/56/402371956.db2.gz UGQRYVQQKATGFM-AWEZNQCLSA-N 1 2 317.433 2.396 20 70 DEIDLO CCn1nccc1C[NH2+]Cc1c(OC)cc(OC)cc1OC ZINC000160040785 539584842 /nfs/dbraw/zinc/58/48/42/539584842.db2.gz OYTAIEOZDQDHRK-UHFFFAOYSA-N 1 2 305.378 2.219 20 70 DEIDLO COCCC1(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)CCC1 ZINC000159632384 186131780 /nfs/dbraw/zinc/13/17/80/186131780.db2.gz KRBYWVSPDFMGMS-UHFFFAOYSA-N 1 2 309.435 2.276 20 70 DEIDLO COCCC1(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)CCC1 ZINC000159632384 186131781 /nfs/dbraw/zinc/13/17/81/186131781.db2.gz KRBYWVSPDFMGMS-UHFFFAOYSA-N 1 2 309.435 2.276 20 70 DEIDLO CN(c1nc(CSCC[NH+]2CCOCC2)cs1)C1CC1 ZINC000160037664 291661786 /nfs/dbraw/zinc/66/17/86/291661786.db2.gz UPTYHYFJTGKBMI-UHFFFAOYSA-N 1 2 313.492 2.307 20 70 DEIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160345420 402341791 /nfs/dbraw/zinc/34/17/91/402341791.db2.gz HMFGESSWSDZNCT-HNNXBMFYSA-N 1 2 309.431 2.077 20 70 DEIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000160345420 402341793 /nfs/dbraw/zinc/34/17/93/402341793.db2.gz HMFGESSWSDZNCT-HNNXBMFYSA-N 1 2 309.431 2.077 20 70 DEIDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2nncn2C)c(OC)c1 ZINC000160717280 402358084 /nfs/dbraw/zinc/35/80/84/402358084.db2.gz QMEYIXMRHJITGD-CQSZACIVSA-N 1 2 302.378 2.169 20 70 DEIDLO COc1ccc([C@H]2CCC[N@H+]2Cc2nncn2C)c(OC)c1 ZINC000160717280 402358086 /nfs/dbraw/zinc/35/80/86/402358086.db2.gz QMEYIXMRHJITGD-CQSZACIVSA-N 1 2 302.378 2.169 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1O ZINC000161212326 402377485 /nfs/dbraw/zinc/37/74/85/402377485.db2.gz CPBMCXMZRDPVDQ-LBPRGKRZSA-N 1 2 317.776 2.449 20 70 DEIDLO CC1(O)CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000161225412 402378484 /nfs/dbraw/zinc/37/84/84/402378484.db2.gz HNEQCWOZKVHJGS-UHFFFAOYSA-N 1 2 306.391 2.198 20 70 DEIDLO COc1ccc(CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160277172 402339728 /nfs/dbraw/zinc/33/97/28/402339728.db2.gz PZTJJXUJDUMJRP-HNNXBMFYSA-N 1 2 313.401 2.203 20 70 DEIDLO CCCCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159549205 186126495 /nfs/dbraw/zinc/12/64/95/186126495.db2.gz FRAVKZREKMCLRV-GOSISDBHSA-N 1 2 302.418 2.077 20 70 DEIDLO CCCCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159549205 186126497 /nfs/dbraw/zinc/12/64/97/186126497.db2.gz FRAVKZREKMCLRV-GOSISDBHSA-N 1 2 302.418 2.077 20 70 DEIDLO CCC[C@H](C(=O)OCC)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161457520 291674945 /nfs/dbraw/zinc/67/49/45/291674945.db2.gz IKPUKZQIYRDKKR-NEPJUHHUSA-N 1 2 311.344 2.353 20 70 DEIDLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159522758 402324558 /nfs/dbraw/zinc/32/45/58/402324558.db2.gz LOCLAESIGPCXQZ-ZIFCJYIRSA-N 1 2 316.445 2.440 20 70 DEIDLO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159522758 402324560 /nfs/dbraw/zinc/32/45/60/402324560.db2.gz LOCLAESIGPCXQZ-ZIFCJYIRSA-N 1 2 316.445 2.440 20 70 DEIDLO CC[N@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160588355 402352512 /nfs/dbraw/zinc/35/25/12/402352512.db2.gz FLOGDVFIKBVAQS-CYBMUJFWSA-N 1 2 323.414 2.450 20 70 DEIDLO CC[N@@H+](Cc1cc2cc(OC)ccc2o1)[C@@H]1CCS(=O)(=O)C1 ZINC000160588355 402352515 /nfs/dbraw/zinc/35/25/15/402352515.db2.gz FLOGDVFIKBVAQS-CYBMUJFWSA-N 1 2 323.414 2.450 20 70 DEIDLO CCS(=O)(=O)c1cccc(CC(=O)Nc2cc[nH+]c(C)c2)c1 ZINC000161458460 402388231 /nfs/dbraw/zinc/38/82/31/402388231.db2.gz UCVHZDVVFUXEAI-UHFFFAOYSA-N 1 2 318.398 2.365 20 70 DEIDLO CC[N@H+](CC(=O)N1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161079523 402372246 /nfs/dbraw/zinc/37/22/46/402372246.db2.gz GEWUAHNDUNBSEF-UHFFFAOYSA-N 1 2 312.417 2.221 20 70 DEIDLO CC[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1cnn(C)c1 ZINC000161079523 402372247 /nfs/dbraw/zinc/37/22/47/402372247.db2.gz GEWUAHNDUNBSEF-UHFFFAOYSA-N 1 2 312.417 2.221 20 70 DEIDLO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@H]1CCn2cc[nH+]c2C1 ZINC000161132902 402374486 /nfs/dbraw/zinc/37/44/86/402374486.db2.gz XGXGXVWPDAOQFA-VIFPVBQESA-N 1 2 316.386 2.060 20 70 DEIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](Nc2ccccc2)C1 ZINC000161155843 402375257 /nfs/dbraw/zinc/37/52/57/402375257.db2.gz ZQSFYTUFZUJBSJ-HOCLYGCPSA-N 1 2 310.401 2.159 20 70 DEIDLO CCCN(CCC)C(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161494204 402389108 /nfs/dbraw/zinc/38/91/08/402389108.db2.gz XVLRXOXUDFEDFG-CQSZACIVSA-N 1 2 324.387 2.270 20 70 DEIDLO CCc1c(C(=O)N(C)CCCn2cc[nH+]c2)cnn1CC(C)C ZINC000160069883 402335660 /nfs/dbraw/zinc/33/56/60/402335660.db2.gz OWHFOAIVOQUEBY-UHFFFAOYSA-N 1 2 317.437 2.460 20 70 DEIDLO CCCO[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161510811 402390003 /nfs/dbraw/zinc/39/00/03/402390003.db2.gz OIBZSZVRKWDMJW-LSDHHAIUSA-N 1 2 305.422 2.253 20 70 DEIDLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000161007130 518414140 /nfs/dbraw/zinc/41/41/40/518414140.db2.gz MHTUYFJWOROIMQ-HRYDCMBCSA-N 1 2 314.429 2.413 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)on1 ZINC000160436806 402345561 /nfs/dbraw/zinc/34/55/61/402345561.db2.gz LUHIDGBWICEIMK-CQSZACIVSA-N 1 2 300.362 2.462 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)on1 ZINC000160436806 402345562 /nfs/dbraw/zinc/34/55/62/402345562.db2.gz LUHIDGBWICEIMK-CQSZACIVSA-N 1 2 300.362 2.462 20 70 DEIDLO Cc1cncc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161294276 402381661 /nfs/dbraw/zinc/38/16/61/402381661.db2.gz UNLIRAMDHCJZDY-SQRWCISFSA-N 1 2 308.385 2.193 20 70 DEIDLO CC[C@H]1CCCCN1C(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159764206 402330163 /nfs/dbraw/zinc/33/01/63/402330163.db2.gz IAQYHVFWTLIYGR-GJZGRUSLSA-N 1 2 314.495 2.231 20 70 DEIDLO C[C@H]1CCCC[C@@H]1N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160023976 402334905 /nfs/dbraw/zinc/33/49/05/402334905.db2.gz QQUUMCXMQQAEFE-GJZGRUSLSA-N 1 2 314.495 2.089 20 70 DEIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159573929 186128613 /nfs/dbraw/zinc/12/86/13/186128613.db2.gz VXJDGXKHRATJMU-MNOVXSKESA-N 1 2 318.373 2.275 20 70 DEIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)C[C@@H](C)O ZINC000159573929 186128614 /nfs/dbraw/zinc/12/86/14/186128614.db2.gz VXJDGXKHRATJMU-MNOVXSKESA-N 1 2 318.373 2.275 20 70 DEIDLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@H]1COCC[NH2+]1 ZINC000159600090 186130487 /nfs/dbraw/zinc/13/04/87/186130487.db2.gz KJPUTLSDMHSOIL-MRXNPFEDSA-N 1 2 304.390 2.073 20 70 DEIDLO Cc1ccc(N2CC[C@H](SCC[NH+]3CCOCC3)C2=O)cc1 ZINC000159999792 197378494 /nfs/dbraw/zinc/37/84/94/197378494.db2.gz SZRQFRQMLUKVNC-INIZCTEOSA-N 1 2 320.458 2.166 20 70 DEIDLO COc1ccccc1-n1cnnc1SCCn1cc[nH+]c1 ZINC000159694324 291657806 /nfs/dbraw/zinc/65/78/06/291657806.db2.gz AWVJUJDQHXACRB-UHFFFAOYSA-N 1 2 301.375 2.265 20 70 DEIDLO CCC(C)(C)NC(=O)[C@@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159914259 291660765 /nfs/dbraw/zinc/66/07/65/291660765.db2.gz VGVOYJWLFCKIMC-AWEZNQCLSA-N 1 2 316.511 2.381 20 70 DEIDLO O=C(NCCc1cscn1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000159368831 402322402 /nfs/dbraw/zinc/32/24/02/402322402.db2.gz DNQFDHUSYHFMFZ-GFCCVEGCSA-N 1 2 305.407 2.346 20 70 DEIDLO CC[N@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160547124 402350664 /nfs/dbraw/zinc/35/06/64/402350664.db2.gz RIOHWEIUNTYKQM-LLVKDONJSA-N 1 2 305.802 2.488 20 70 DEIDLO CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000160547124 402350667 /nfs/dbraw/zinc/35/06/67/402350667.db2.gz RIOHWEIUNTYKQM-LLVKDONJSA-N 1 2 305.802 2.488 20 70 DEIDLO O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160750737 402358873 /nfs/dbraw/zinc/35/88/73/402358873.db2.gz ICCNFIBNOUTSTP-CYBMUJFWSA-N 1 2 307.357 2.270 20 70 DEIDLO Cn1ccnc1C[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000160838602 402362666 /nfs/dbraw/zinc/36/26/66/402362666.db2.gz PVDLVSLWUAUCFF-UHFFFAOYSA-N 1 2 313.405 2.206 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000161102974 402372835 /nfs/dbraw/zinc/37/28/35/402372835.db2.gz QADYUGFUWBPIFC-GFCCVEGCSA-N 1 2 304.369 2.408 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000161102974 402372836 /nfs/dbraw/zinc/37/28/36/402372836.db2.gz QADYUGFUWBPIFC-GFCCVEGCSA-N 1 2 304.369 2.408 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1O ZINC000161250239 402379322 /nfs/dbraw/zinc/37/93/22/402379322.db2.gz PAWXSDFLFPFUBH-LBPRGKRZSA-N 1 2 317.776 2.449 20 70 DEIDLO O=C(Cc1ccon1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161284680 402380960 /nfs/dbraw/zinc/38/09/60/402380960.db2.gz FPOOYIVQSWJQBA-UHFFFAOYSA-N 1 2 319.792 2.215 20 70 DEIDLO COCCc1noc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000159723732 402329038 /nfs/dbraw/zinc/32/90/38/402329038.db2.gz RFDNHDIOIIYEQA-AWEZNQCLSA-N 1 2 302.378 2.299 20 70 DEIDLO COCCc1noc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)n1 ZINC000159723732 402329040 /nfs/dbraw/zinc/32/90/40/402329040.db2.gz RFDNHDIOIIYEQA-AWEZNQCLSA-N 1 2 302.378 2.299 20 70 DEIDLO CN(CC1CCCCC1)C(=O)CSCC[NH+]1CCOCC1 ZINC000159990465 402335032 /nfs/dbraw/zinc/33/50/32/402335032.db2.gz NLQNVLLONWIMPR-UHFFFAOYSA-N 1 2 314.495 2.091 20 70 DEIDLO CC(C)CCC1CCN(C(=O)NCC[NH+]2CCOCC2)CC1 ZINC000160250422 402339528 /nfs/dbraw/zinc/33/95/28/402339528.db2.gz NZGPBXIQHCSORN-UHFFFAOYSA-N 1 2 311.470 2.176 20 70 DEIDLO CCC1(CNC(=O)N2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000159704548 521705908 /nfs/dbraw/zinc/70/59/08/521705908.db2.gz UDLUSBQMTTWPKY-UHFFFAOYSA-N 1 2 316.449 2.489 20 70 DEIDLO CC[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159619310 522356462 /nfs/dbraw/zinc/35/64/62/522356462.db2.gz KXGPDXBPLFGDIY-CABCVRRESA-N 1 2 304.438 2.343 20 70 DEIDLO CC[C@H](O)CCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000160806554 522794551 /nfs/dbraw/zinc/79/45/51/522794551.db2.gz VKJOGUZHDXJTPU-INIZCTEOSA-N 1 2 307.438 2.363 20 70 DEIDLO CC[C@H](O)CCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000160806554 522794556 /nfs/dbraw/zinc/79/45/56/522794556.db2.gz VKJOGUZHDXJTPU-INIZCTEOSA-N 1 2 307.438 2.363 20 70 DEIDLO Cc1cccc(OC[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160356879 524753270 /nfs/dbraw/zinc/75/32/70/524753270.db2.gz YCKMAEFPCVAJHF-HUUCEWRRSA-N 1 2 313.401 2.338 20 70 DEIDLO Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[nH]n1 ZINC000161366429 524824432 /nfs/dbraw/zinc/82/44/32/524824432.db2.gz CRTBHETWCAJGRQ-CYBMUJFWSA-N 1 2 323.400 2.324 20 70 DEIDLO Cc1cc(C[C@@H](C)NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)n[nH]1 ZINC000161366429 524824438 /nfs/dbraw/zinc/82/44/38/524824438.db2.gz CRTBHETWCAJGRQ-CYBMUJFWSA-N 1 2 323.400 2.324 20 70 DEIDLO C[C@@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159930190 525284403 /nfs/dbraw/zinc/28/44/03/525284403.db2.gz GDXPKOJKRASSBG-CABCVRRESA-N 1 2 322.474 2.318 20 70 DEIDLO CC[C@H](C)OCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000160927683 539588772 /nfs/dbraw/zinc/58/87/72/539588772.db2.gz BWGOUUKJAYLJEU-AWEZNQCLSA-N 1 2 306.406 2.272 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000159672529 186134628 /nfs/dbraw/zinc/13/46/28/186134628.db2.gz RBINZNIPESBYPF-UONOGXRCSA-N 1 2 311.447 2.321 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000159672529 186134630 /nfs/dbraw/zinc/13/46/30/186134630.db2.gz RBINZNIPESBYPF-UONOGXRCSA-N 1 2 311.447 2.321 20 70 DEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000160978519 197455073 /nfs/dbraw/zinc/45/50/73/197455073.db2.gz ZIZYIWVKTXDBPS-KRWDZBQOSA-N 1 2 314.385 2.256 20 70 DEIDLO Cc1ccc2nc(SCCn3cc[nH+]c3)n(C)c(=O)c2c1 ZINC000160093092 197385262 /nfs/dbraw/zinc/38/52/62/197385262.db2.gz MHGWIRIBPWXKCG-UHFFFAOYSA-N 1 2 300.387 2.231 20 70 DEIDLO CCC[C@H](CC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159796159 197365251 /nfs/dbraw/zinc/36/52/51/197365251.db2.gz PXYJPPNTUIGYDN-HNNXBMFYSA-N 1 2 304.438 2.488 20 70 DEIDLO CCc1nnc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)[nH]1 ZINC000159411505 402323494 /nfs/dbraw/zinc/32/34/94/402323494.db2.gz QBVXPCOXOSGAEE-NWDGAFQWSA-N 1 2 323.441 2.245 20 70 DEIDLO CCc1nnc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)[nH]1 ZINC000159411505 402323495 /nfs/dbraw/zinc/32/34/95/402323495.db2.gz QBVXPCOXOSGAEE-NWDGAFQWSA-N 1 2 323.441 2.245 20 70 DEIDLO COc1ccc(CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160277029 402340029 /nfs/dbraw/zinc/34/00/29/402340029.db2.gz PZTJJXUJDUMJRP-OAHLLOKOSA-N 1 2 313.401 2.203 20 70 DEIDLO CCCCOC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000160319385 402340444 /nfs/dbraw/zinc/34/04/44/402340444.db2.gz RFBAFYKPCVSNTQ-ZDUSSCGKSA-N 1 2 314.426 2.271 20 70 DEIDLO COC(=O)CCN(CC(C)C)c1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160506334 402348973 /nfs/dbraw/zinc/34/89/73/402348973.db2.gz PUOYSGOGLOHGDJ-UHFFFAOYSA-N 1 2 323.441 2.087 20 70 DEIDLO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160593386 402352938 /nfs/dbraw/zinc/35/29/38/402352938.db2.gz OFHGKGFFCYXDIF-GJZGRUSLSA-N 1 2 321.446 2.122 20 70 DEIDLO C[N@@H+](Cc1cnc2ccccn12)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000160593386 402352941 /nfs/dbraw/zinc/35/29/41/402352941.db2.gz OFHGKGFFCYXDIF-GJZGRUSLSA-N 1 2 321.446 2.122 20 70 DEIDLO c1ccc2[nH]c(CN3CC[NH+](Cc4ccncc4)CC3)nc2c1 ZINC000161162201 402376078 /nfs/dbraw/zinc/37/60/78/402376078.db2.gz DNFZRBURTRSTLH-UHFFFAOYSA-N 1 2 307.401 2.276 20 70 DEIDLO COCc1nc2n(n1)C[C@H](Nc1cc(C)[nH+]c(C(C)C)n1)CC2 ZINC000161372994 402385128 /nfs/dbraw/zinc/38/51/28/402385128.db2.gz BRAKKUCGHGGJSA-GFCCVEGCSA-N 1 2 316.409 2.073 20 70 DEIDLO CC[C@@H]1CCCCN1C(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159764091 402330369 /nfs/dbraw/zinc/33/03/69/402330369.db2.gz IAQYHVFWTLIYGR-LSDHHAIUSA-N 1 2 314.495 2.231 20 70 DEIDLO CCN(CC)c1ncc(C[NH+]2CCC(CC(N)=O)CC2)s1 ZINC000159718842 186137567 /nfs/dbraw/zinc/13/75/67/186137567.db2.gz INZRPNKLKIHOSB-UHFFFAOYSA-N 1 2 310.467 2.077 20 70 DEIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160652189 197428138 /nfs/dbraw/zinc/42/81/38/197428138.db2.gz VWSZLSDOXPEZHT-ZNMIVQPWSA-N 1 2 318.421 2.256 20 70 DEIDLO CC(C)N(C(=O)[C@H](C)SCC[NH+]1CCOCC1)C(C)C ZINC000159874168 197369965 /nfs/dbraw/zinc/36/99/65/197369965.db2.gz JITHLSQLLWZZJV-AWEZNQCLSA-N 1 2 302.484 2.086 20 70 DEIDLO CC(C)CCC[C@@H](C)NC(=O)CSCC[NH+]1CCOCC1 ZINC000159875673 291660495 /nfs/dbraw/zinc/66/04/95/291660495.db2.gz HQDYFFGRGIKPHV-OAHLLOKOSA-N 1 2 316.511 2.383 20 70 DEIDLO CCCCn1ncc(NC(=O)NCCCn2cc[nH+]c2)c1C ZINC000160006473 291661626 /nfs/dbraw/zinc/66/16/26/291661626.db2.gz JPISHOCQQGDQFT-UHFFFAOYSA-N 1 2 304.398 2.400 20 70 DEIDLO CCc1nnc([C@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)o1 ZINC000161211159 291673384 /nfs/dbraw/zinc/67/33/84/291673384.db2.gz LKZURJCEUUMNHW-GZMMTYOYSA-N 1 2 307.316 2.328 20 70 DEIDLO COC(=O)C1([N@H+](C)Cc2ccc(-n3ccnc3)nc2)CCCC1 ZINC000159497531 197357947 /nfs/dbraw/zinc/35/79/47/197357947.db2.gz UFYCQSOXBKHLOE-UHFFFAOYSA-N 1 2 314.389 2.185 20 70 DEIDLO COC(=O)C1([N@@H+](C)Cc2ccc(-n3ccnc3)nc2)CCCC1 ZINC000159497531 197357949 /nfs/dbraw/zinc/35/79/49/197357949.db2.gz UFYCQSOXBKHLOE-UHFFFAOYSA-N 1 2 314.389 2.185 20 70 DEIDLO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc2c(c1)N(C)CC2 ZINC000159405328 402322970 /nfs/dbraw/zinc/32/29/70/402322970.db2.gz WJAUCZCBHKRKLL-UHFFFAOYSA-N 1 2 312.417 2.461 20 70 DEIDLO CCOC(=O)C[C@@H](C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000161021276 402369395 /nfs/dbraw/zinc/36/93/95/402369395.db2.gz DBCZEYKLHUJPIV-LLVKDONJSA-N 1 2 309.414 2.062 20 70 DEIDLO CCOC(=O)C[C@@H](C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000161021276 402369399 /nfs/dbraw/zinc/36/93/99/402369399.db2.gz DBCZEYKLHUJPIV-LLVKDONJSA-N 1 2 309.414 2.062 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)cc1O ZINC000161212454 402377818 /nfs/dbraw/zinc/37/78/18/402377818.db2.gz CPBMCXMZRDPVDQ-GFCCVEGCSA-N 1 2 317.776 2.449 20 70 DEIDLO COC(=O)c1coc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161274949 402380122 /nfs/dbraw/zinc/38/01/22/402380122.db2.gz UQYPJGUGFYFNQH-LBPRGKRZSA-N 1 2 321.295 2.201 20 70 DEIDLO COCc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(C(C)(C)C)n1 ZINC000159732900 402329487 /nfs/dbraw/zinc/32/94/87/402329487.db2.gz UWWQNEHDSXIKFL-ZDUSSCGKSA-N 1 2 322.453 2.053 20 70 DEIDLO Cc1ccccc1CNC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159911771 402333589 /nfs/dbraw/zinc/33/35/89/402333589.db2.gz WRJYUWWDBBAXFT-HNNXBMFYSA-N 1 2 322.474 2.065 20 70 DEIDLO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000160138071 519743477 /nfs/dbraw/zinc/74/34/77/519743477.db2.gz NHYHWHCFKNAELL-CYBMUJFWSA-N 1 2 322.409 2.378 20 70 DEIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159490636 525875571 /nfs/dbraw/zinc/87/55/71/525875571.db2.gz FNNGDLFEXSIBNJ-KGLIPLIRSA-N 1 2 322.474 2.387 20 70 DEIDLO COC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159580592 186128364 /nfs/dbraw/zinc/12/83/64/186128364.db2.gz ZOPMFVAKQGFUQW-LBPRGKRZSA-N 1 2 324.808 2.049 20 70 DEIDLO COC(=O)[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159580592 186128365 /nfs/dbraw/zinc/12/83/65/186128365.db2.gz ZOPMFVAKQGFUQW-LBPRGKRZSA-N 1 2 324.808 2.049 20 70 DEIDLO Cc1ccc(OC2CC[NH+](Cc3nncn3C)CC2)cc1C ZINC000160801487 197440345 /nfs/dbraw/zinc/44/03/45/197440345.db2.gz KYKMFMVAQUJWRJ-UHFFFAOYSA-N 1 2 300.406 2.475 20 70 DEIDLO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159711225 197361358 /nfs/dbraw/zinc/36/13/58/197361358.db2.gz GESONKUCHYFQKR-CYBMUJFWSA-N 1 2 307.357 2.270 20 70 DEIDLO Cc1cc(CN2CCN(Cc3[nH+]ccn3C(C)C)CC2)no1 ZINC000160710829 402357998 /nfs/dbraw/zinc/35/79/98/402357998.db2.gz RRJDVQZDCZFDEI-UHFFFAOYSA-N 1 2 303.410 2.078 20 70 DEIDLO O=C(c1ccc(SCCn2cc[nH+]c2)nc1)N1CCCC1 ZINC000160081325 402336299 /nfs/dbraw/zinc/33/62/99/402336299.db2.gz FKMPMTSVGIOMLB-UHFFFAOYSA-N 1 2 302.403 2.306 20 70 DEIDLO CC[N@H+](C)[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153722 520272813 /nfs/dbraw/zinc/27/28/13/520272813.db2.gz HPAXYMFAVVMEFO-GUYCJALGSA-N 1 2 314.433 2.458 20 70 DEIDLO CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)Cc1cc(C)[nH]n1)c1ccccc1 ZINC000161153722 520272815 /nfs/dbraw/zinc/27/28/15/520272815.db2.gz HPAXYMFAVVMEFO-GUYCJALGSA-N 1 2 314.433 2.458 20 70 DEIDLO COc1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159726837 186138159 /nfs/dbraw/zinc/13/81/59/186138159.db2.gz OYISZERDQAXADF-AWEZNQCLSA-N 1 2 312.373 2.491 20 70 DEIDLO O=C1CC[C@@H]2C[N@H+](Cc3nc(Cl)ccc3Cl)CC[C@H]2N1 ZINC000160167000 197390949 /nfs/dbraw/zinc/39/09/49/197390949.db2.gz BHASNAWNTVCNCG-MWLCHTKSSA-N 1 2 314.216 2.489 20 70 DEIDLO O=C1CC[C@@H]2C[N@@H+](Cc3nc(Cl)ccc3Cl)CC[C@H]2N1 ZINC000160167000 197390951 /nfs/dbraw/zinc/39/09/51/197390951.db2.gz BHASNAWNTVCNCG-MWLCHTKSSA-N 1 2 314.216 2.489 20 70 DEIDLO CCc1nnc(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)[nH]1 ZINC000159515685 197360205 /nfs/dbraw/zinc/36/02/05/197360205.db2.gz GJZCRUFVYQOLCJ-HNNXBMFYSA-N 1 2 300.406 2.140 20 70 DEIDLO CCc1nnc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)[nH]1 ZINC000159515685 197360207 /nfs/dbraw/zinc/36/02/07/197360207.db2.gz GJZCRUFVYQOLCJ-HNNXBMFYSA-N 1 2 300.406 2.140 20 70 DEIDLO Cc1cccn2cc(CNC(=O)c3cccc4[nH]cnc43)[nH+]c12 ZINC000159456126 402323839 /nfs/dbraw/zinc/32/38/39/402323839.db2.gz WEFJODRKBZPZPW-UHFFFAOYSA-N 1 2 305.341 2.449 20 70 DEIDLO CC(C)S(=O)(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000160469359 402347131 /nfs/dbraw/zinc/34/71/31/402347131.db2.gz QOCKOPBBKACWQX-UHFFFAOYSA-N 1 2 310.463 2.022 20 70 DEIDLO CN(Cc1cccn1C)C(=O)NCCCNc1cccc[nH+]1 ZINC000161036461 402370434 /nfs/dbraw/zinc/37/04/34/402370434.db2.gz CVCNLJCLCUCNJU-UHFFFAOYSA-N 1 2 301.394 2.064 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000161072110 402371347 /nfs/dbraw/zinc/37/13/47/402371347.db2.gz CZVMYKKTTQTPQJ-CQSZACIVSA-N 1 2 312.417 2.220 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000161072110 402371349 /nfs/dbraw/zinc/37/13/49/402371349.db2.gz CZVMYKKTTQTPQJ-CQSZACIVSA-N 1 2 312.417 2.220 20 70 DEIDLO CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cnn(C)c1 ZINC000161108273 402373545 /nfs/dbraw/zinc/37/35/45/402373545.db2.gz DZLKAYHKHBRDQW-UHFFFAOYSA-N 1 2 318.396 2.006 20 70 DEIDLO CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)Cc1cnn(C)c1 ZINC000161108273 402373548 /nfs/dbraw/zinc/37/35/48/402373548.db2.gz DZLKAYHKHBRDQW-UHFFFAOYSA-N 1 2 318.396 2.006 20 70 DEIDLO CC1(O)CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000161213196 402377569 /nfs/dbraw/zinc/37/75/69/402377569.db2.gz PFMXBANUBQKJHP-UHFFFAOYSA-N 1 2 305.403 2.082 20 70 DEIDLO Cc1cncc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161294390 402381344 /nfs/dbraw/zinc/38/13/44/402381344.db2.gz UNLIRAMDHCJZDY-JFDDCEBESA-N 1 2 308.385 2.193 20 70 DEIDLO C[C@H](CNC(=O)NCC1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000159659982 402327600 /nfs/dbraw/zinc/32/76/00/402327600.db2.gz PRYQHMAZPVWFHJ-CQSZACIVSA-N 1 2 311.470 2.223 20 70 DEIDLO COc1ccc(-c2nc(SCCn3cc[nH+]c3)n[nH]2)cc1 ZINC000159710624 402329027 /nfs/dbraw/zinc/32/90/27/402329027.db2.gz AHNXWNBJOYHXDG-UHFFFAOYSA-N 1 2 301.375 2.469 20 70 DEIDLO COc1ccc(-c2n[nH]c(SCCn3cc[nH+]c3)n2)cc1 ZINC000159710624 402329030 /nfs/dbraw/zinc/32/90/30/402329030.db2.gz AHNXWNBJOYHXDG-UHFFFAOYSA-N 1 2 301.375 2.469 20 70 DEIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000159698650 402329174 /nfs/dbraw/zinc/32/91/74/402329174.db2.gz IZIRJXIRNZZAPK-OAHLLOKOSA-N 1 2 324.465 2.443 20 70 DEIDLO CC(C)n1cc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cn1 ZINC000159847703 402332204 /nfs/dbraw/zinc/33/22/04/402332204.db2.gz FHIXOHLNPBQOTE-XHDPSFHLSA-N 1 2 304.369 2.480 20 70 DEIDLO Cc1nc(-c2cccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)c2)n[nH]1 ZINC000160146056 197388509 /nfs/dbraw/zinc/38/85/09/197388509.db2.gz XOTZTSMACKNSGI-ZDUSSCGKSA-N 1 2 322.372 2.178 20 70 DEIDLO Cn1ccnc1-c1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160121929 197387091 /nfs/dbraw/zinc/38/70/91/197387091.db2.gz PSGGMJRFNSIWTR-AWEZNQCLSA-N 1 2 321.384 2.485 20 70 DEIDLO C[C@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160117452 197386871 /nfs/dbraw/zinc/38/68/71/197386871.db2.gz DQHVKNYRGUNTKN-IYBDPMFKSA-N 1 2 316.449 2.488 20 70 DEIDLO Cc1ccccc1NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161141141 291672848 /nfs/dbraw/zinc/67/28/48/291672848.db2.gz DZQBKNSGTLGOJE-UHFFFAOYSA-N 1 2 324.428 2.146 20 70 DEIDLO COc1ccccc1C[NH+]1CCN(CCOCC2CC2)CC1 ZINC000160436957 402345531 /nfs/dbraw/zinc/34/55/31/402345531.db2.gz QAPLUWZXKOHZBR-UHFFFAOYSA-N 1 2 304.434 2.239 20 70 DEIDLO CCc1cc(N(C)Cc2nc(=O)c3sccc3[nH]2)nc(C)[nH+]1 ZINC000160647584 402355591 /nfs/dbraw/zinc/35/55/91/402355591.db2.gz NGQCIILEYJWFSH-UHFFFAOYSA-N 1 2 315.402 2.282 20 70 DEIDLO O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160750843 402359248 /nfs/dbraw/zinc/35/92/48/402359248.db2.gz ICCNFIBNOUTSTP-ZDUSSCGKSA-N 1 2 307.357 2.270 20 70 DEIDLO Cc1ncc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161316640 402382201 /nfs/dbraw/zinc/38/22/01/402382201.db2.gz WMYQTCOLXJBMTM-URWSZGRFSA-N 1 2 314.414 2.255 20 70 DEIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000159657368 402327639 /nfs/dbraw/zinc/32/76/39/402327639.db2.gz AJEJUUFJNQTRBV-AWEZNQCLSA-N 1 2 311.447 2.323 20 70 DEIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000159657368 402327642 /nfs/dbraw/zinc/32/76/42/402327642.db2.gz AJEJUUFJNQTRBV-AWEZNQCLSA-N 1 2 311.447 2.323 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1Cl ZINC000161407841 402386308 /nfs/dbraw/zinc/38/63/08/402386308.db2.gz YLDKETJGNZVJAJ-NSHDSACASA-N 1 2 302.765 2.139 20 70 DEIDLO CC(C)c1ccc(C(=O)NCC(C)(C)[NH+]2CCOCC2)cn1 ZINC000159903144 519835055 /nfs/dbraw/zinc/83/50/55/519835055.db2.gz BHZIIGJUZVDWSU-UHFFFAOYSA-N 1 2 305.422 2.046 20 70 DEIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000159698913 520214542 /nfs/dbraw/zinc/21/45/42/520214542.db2.gz WIMPRHWFKNRCRH-CQSZACIVSA-N 1 2 310.438 2.053 20 70 DEIDLO COC(=O)[C@@H](SCC[NH+]1CCOCC1)c1ccccc1F ZINC000159847338 523650945 /nfs/dbraw/zinc/65/09/45/523650945.db2.gz YDMDKUSENWYQIJ-AWEZNQCLSA-N 1 2 313.394 2.105 20 70 DEIDLO CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160299887 197398912 /nfs/dbraw/zinc/39/89/12/197398912.db2.gz AIVLEXSXYQAKPY-SJORKVTESA-N 1 2 317.433 2.081 20 70 DEIDLO CCCCNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160299887 197398914 /nfs/dbraw/zinc/39/89/14/197398914.db2.gz AIVLEXSXYQAKPY-SJORKVTESA-N 1 2 317.433 2.081 20 70 DEIDLO O=C1CC[C@@H]2C[N@H+](Cc3nc(Cl)ccc3Cl)CC[C@@H]2N1 ZINC000160167135 197390599 /nfs/dbraw/zinc/39/05/99/197390599.db2.gz BHASNAWNTVCNCG-KOLCDFICSA-N 1 2 314.216 2.489 20 70 DEIDLO O=C1CC[C@@H]2C[N@@H+](Cc3nc(Cl)ccc3Cl)CC[C@@H]2N1 ZINC000160167135 197390600 /nfs/dbraw/zinc/39/06/00/197390600.db2.gz BHASNAWNTVCNCG-KOLCDFICSA-N 1 2 314.216 2.489 20 70 DEIDLO CC[C@@H]1CCCCN1C(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159763900 197362700 /nfs/dbraw/zinc/36/27/00/197362700.db2.gz IAQYHVFWTLIYGR-HUUCEWRRSA-N 1 2 314.495 2.231 20 70 DEIDLO CC(C)CCn1ccc(NC(=O)NCCCn2cc[nH+]c2)n1 ZINC000159506888 402324665 /nfs/dbraw/zinc/32/46/65/402324665.db2.gz DBJDZQYDDDJWHJ-UHFFFAOYSA-N 1 2 304.398 2.338 20 70 DEIDLO CCn1cnnc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000218232902 402295495 /nfs/dbraw/zinc/29/54/95/402295495.db2.gz YJNOIMXXFAGZIQ-UHFFFAOYSA-N 1 2 300.284 2.486 20 70 DEIDLO COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160281145 402339891 /nfs/dbraw/zinc/33/98/91/402339891.db2.gz ZCWFZXCARDZBDO-DOMZBBRYSA-N 1 2 314.389 2.267 20 70 DEIDLO O=C(Nc1cccc(F)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160717043 402357869 /nfs/dbraw/zinc/35/78/69/402357869.db2.gz DXOJOBVUCDLRNW-AWEZNQCLSA-N 1 2 315.348 2.060 20 70 DEIDLO O=C(Nc1cccc(F)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160717043 402357871 /nfs/dbraw/zinc/35/78/71/402357871.db2.gz DXOJOBVUCDLRNW-AWEZNQCLSA-N 1 2 315.348 2.060 20 70 DEIDLO Cc1cc(C[C@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000161167250 402375763 /nfs/dbraw/zinc/37/57/63/402375763.db2.gz SRDCOOOHRCJVIP-LBPRGKRZSA-N 1 2 309.373 2.265 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(OC(F)F)cc1 ZINC000161206303 402377927 /nfs/dbraw/zinc/37/79/27/402377927.db2.gz AXBUSXTZGKIDKW-UHFFFAOYSA-N 1 2 316.329 2.137 20 70 DEIDLO CC(C)Oc1ccccc1CS(=O)(=O)Cc1[nH+]ccn1C ZINC000161203491 402378010 /nfs/dbraw/zinc/37/80/10/402378010.db2.gz DXAGOUKXQUDIAL-UHFFFAOYSA-N 1 2 308.403 2.322 20 70 DEIDLO O=C(CSCC[NH+]1CCOCC1)NCCC1CCCCC1 ZINC000159814046 402331465 /nfs/dbraw/zinc/33/14/65/402331465.db2.gz LMTQZELLNKQGCE-UHFFFAOYSA-N 1 2 314.495 2.138 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)c1ccccc1 ZINC000159927026 402333696 /nfs/dbraw/zinc/33/36/96/402333696.db2.gz KQGKWNRBYGDXCB-AWEZNQCLSA-N 1 2 308.447 2.103 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1CCC(C)CC1 ZINC000159955998 402334355 /nfs/dbraw/zinc/33/43/55/402334355.db2.gz ZHNDMUVMYYMMPR-SHARSMKWSA-N 1 2 314.495 2.135 20 70 DEIDLO CCCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160722236 519889945 /nfs/dbraw/zinc/88/99/45/519889945.db2.gz WIKQRFYWHDOOPU-UHFFFAOYSA-N 1 2 316.449 2.489 20 70 DEIDLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1ccccn1 ZINC000160188369 523236361 /nfs/dbraw/zinc/23/63/61/523236361.db2.gz HDJXOFADSGVGEA-UHFFFAOYSA-N 1 2 300.391 2.349 20 70 DEIDLO COC(=O)[C@H](SCC[NH+]1CCOCC1)c1ccccc1F ZINC000159847197 523937168 /nfs/dbraw/zinc/93/71/68/523937168.db2.gz YDMDKUSENWYQIJ-CQSZACIVSA-N 1 2 313.394 2.105 20 70 DEIDLO C[C@H](NC(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159930089 525162807 /nfs/dbraw/zinc/16/28/07/525162807.db2.gz GDXPKOJKRASSBG-GJZGRUSLSA-N 1 2 322.474 2.318 20 70 DEIDLO Cc1ccccc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159796712 525258744 /nfs/dbraw/zinc/25/87/44/525258744.db2.gz HHFZQZCOHUKAQE-CQSZACIVSA-N 1 2 308.447 2.387 20 70 DEIDLO CCNc1nc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cs1 ZINC000159565913 186127330 /nfs/dbraw/zinc/12/73/30/186127330.db2.gz VMMGRQCSTXFVJL-LBPRGKRZSA-N 1 2 310.467 2.283 20 70 DEIDLO CCNc1nc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cs1 ZINC000159565913 186127332 /nfs/dbraw/zinc/12/73/32/186127332.db2.gz VMMGRQCSTXFVJL-LBPRGKRZSA-N 1 2 310.467 2.283 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000159673706 186134843 /nfs/dbraw/zinc/13/48/43/186134843.db2.gz VFVKFKWFCDAFBS-AWEZNQCLSA-N 1 2 323.458 2.465 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000159673706 186134845 /nfs/dbraw/zinc/13/48/45/186134845.db2.gz VFVKFKWFCDAFBS-AWEZNQCLSA-N 1 2 323.458 2.465 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)N(C)C2CCCCC2)CCCC1 ZINC000159450861 402323906 /nfs/dbraw/zinc/32/39/06/402323906.db2.gz MGLKKWIDWXVMAB-UHFFFAOYSA-N 1 2 310.438 2.195 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)N(C)C2CCCCC2)CCCC1 ZINC000159450861 402323910 /nfs/dbraw/zinc/32/39/10/402323910.db2.gz MGLKKWIDWXVMAB-UHFFFAOYSA-N 1 2 310.438 2.195 20 70 DEIDLO CC(C)N(C)C(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159589440 402326416 /nfs/dbraw/zinc/32/64/16/402326416.db2.gz CHQBQYOZBPCRPM-SFHVURJKSA-N 1 2 302.418 2.027 20 70 DEIDLO CC(C)N(C)C(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159589440 402326417 /nfs/dbraw/zinc/32/64/17/402326417.db2.gz CHQBQYOZBPCRPM-SFHVURJKSA-N 1 2 302.418 2.027 20 70 DEIDLO Cc1cc(C[N@@H+]2CCC[C@@H]2C(N)=O)sc1Br ZINC000160334643 402341031 /nfs/dbraw/zinc/34/10/31/402341031.db2.gz GSKBSXLWKNIRKX-SECBINFHSA-N 1 2 303.225 2.269 20 70 DEIDLO Cc1cc(C[N@H+]2CCC[C@@H]2C(N)=O)sc1Br ZINC000160334643 402341034 /nfs/dbraw/zinc/34/10/34/402341034.db2.gz GSKBSXLWKNIRKX-SECBINFHSA-N 1 2 303.225 2.269 20 70 DEIDLO CC[C@H]1CC(=O)N(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160536345 402349989 /nfs/dbraw/zinc/34/99/89/402349989.db2.gz QCTLSYZBPZFXPZ-ZDUSSCGKSA-N 1 2 313.442 2.001 20 70 DEIDLO CC[C@H]1CC(=O)N(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160536345 402349991 /nfs/dbraw/zinc/34/99/91/402349991.db2.gz QCTLSYZBPZFXPZ-ZDUSSCGKSA-N 1 2 313.442 2.001 20 70 DEIDLO CC1(C)C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CCO1 ZINC000160713403 402358135 /nfs/dbraw/zinc/35/81/35/402358135.db2.gz UWWFNUIJHZQNAI-KBPBESRZSA-N 1 2 320.437 2.055 20 70 DEIDLO CC1(C)C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CCO1 ZINC000160713403 402358137 /nfs/dbraw/zinc/35/81/37/402358137.db2.gz UWWFNUIJHZQNAI-KBPBESRZSA-N 1 2 320.437 2.055 20 70 DEIDLO O=C(C[C@H]1COC(=O)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160831756 402361892 /nfs/dbraw/zinc/36/18/92/402361892.db2.gz FZSYWSSUQQNWEV-LLVKDONJSA-N 1 2 323.418 2.021 20 70 DEIDLO O=C(NCC1(C2CC2)CC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160916868 402365540 /nfs/dbraw/zinc/36/55/40/402365540.db2.gz OSVAELFTLKMNLV-UHFFFAOYSA-N 1 2 314.433 2.099 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+](CCS(C)(=O)=O)C(C)C)cc1 ZINC000161016001 402369310 /nfs/dbraw/zinc/36/93/10/402369310.db2.gz WKBKXINHHYAACS-UHFFFAOYSA-N 1 2 311.447 2.323 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+](CCS(C)(=O)=O)C(C)C)cc1 ZINC000161016001 402369312 /nfs/dbraw/zinc/36/93/12/402369312.db2.gz WKBKXINHHYAACS-UHFFFAOYSA-N 1 2 311.447 2.323 20 70 DEIDLO COCCC1(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000161021214 402369543 /nfs/dbraw/zinc/36/95/43/402369543.db2.gz JYDBLSMEDNGKHM-CABCVRRESA-N 1 2 320.437 2.292 20 70 DEIDLO CCN(C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1)C1CCCCC1 ZINC000161063612 402371294 /nfs/dbraw/zinc/37/12/94/402371294.db2.gz HZYLAZHMLGKVQK-CQSZACIVSA-N 1 2 306.454 2.422 20 70 DEIDLO CCN(C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1)C1CCCCC1 ZINC000161063612 402371296 /nfs/dbraw/zinc/37/12/96/402371296.db2.gz HZYLAZHMLGKVQK-CQSZACIVSA-N 1 2 306.454 2.422 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)ccc1O ZINC000161250390 402379748 /nfs/dbraw/zinc/37/97/48/402379748.db2.gz PAWXSDFLFPFUBH-GFCCVEGCSA-N 1 2 317.776 2.449 20 70 DEIDLO O=C(N1CC[NH+](Cc2ccccc2Cl)CC1)C1(O)CCCC1 ZINC000161312435 402382157 /nfs/dbraw/zinc/38/21/57/402382157.db2.gz LLLIVWKIFVTWFL-UHFFFAOYSA-N 1 2 322.836 2.289 20 70 DEIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1c[nH]nc1C ZINC000160651602 520364928 /nfs/dbraw/zinc/36/49/28/520364928.db2.gz BJWOENRCGSJQOU-UHFFFAOYSA-N 1 2 302.378 2.187 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1c[nH]nc1C ZINC000160651602 520364933 /nfs/dbraw/zinc/36/49/33/520364933.db2.gz BJWOENRCGSJQOU-UHFFFAOYSA-N 1 2 302.378 2.187 20 70 DEIDLO CCc1nnc(C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)[nH]1 ZINC000159515817 522293806 /nfs/dbraw/zinc/29/38/06/522293806.db2.gz GJZCRUFVYQOLCJ-OAHLLOKOSA-N 1 2 300.406 2.140 20 70 DEIDLO CCc1nnc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)[nH]1 ZINC000159515817 522293816 /nfs/dbraw/zinc/29/38/16/522293816.db2.gz GJZCRUFVYQOLCJ-OAHLLOKOSA-N 1 2 300.406 2.140 20 70 DEIDLO O=C([C@@H]1CCCO1)N1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000161013192 526474139 /nfs/dbraw/zinc/47/41/39/526474139.db2.gz PWDBFABYSVLTRN-DUXHTMCSSA-N 1 2 318.392 2.162 20 70 DEIDLO CC1(C)c2cc(S(=O)(=O)Nc3cc[nH+]cc3)ccc2NC1=O ZINC000159592985 186129865 /nfs/dbraw/zinc/12/98/65/186129865.db2.gz IQYGAPBQMFXFQL-UHFFFAOYSA-N 1 2 317.370 2.112 20 70 DEIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159753982 186139679 /nfs/dbraw/zinc/13/96/79/186139679.db2.gz LXQMKFRYYSZYJR-BBRMVZONSA-N 1 2 315.417 2.303 20 70 DEIDLO CCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159779328 197363825 /nfs/dbraw/zinc/36/38/25/197363825.db2.gz HESNQQLDXIKOGS-NSHDSACASA-N 1 2 303.175 2.456 20 70 DEIDLO CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159779328 197363827 /nfs/dbraw/zinc/36/38/27/197363827.db2.gz HESNQQLDXIKOGS-NSHDSACASA-N 1 2 303.175 2.456 20 70 DEIDLO Cn1cc[nH+]c1CSc1nnc(COc2ccccc2)n1C ZINC000159394473 197350987 /nfs/dbraw/zinc/35/09/87/197350987.db2.gz ULWFLHPOGZSOMW-UHFFFAOYSA-N 1 2 315.402 2.420 20 70 DEIDLO CC(C)S(=O)(=O)CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000160468723 402347160 /nfs/dbraw/zinc/34/71/60/402347160.db2.gz UMMGOYSPTKAVOC-UHFFFAOYSA-N 1 2 324.490 2.018 20 70 DEIDLO CCOC(=O)C[C@@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160642010 402355064 /nfs/dbraw/zinc/35/50/64/402355064.db2.gz NNMGTDZWRZNKTG-CYBMUJFWSA-N 1 2 315.373 2.003 20 70 DEIDLO O=C(Nc1cccc(F)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160717186 402357876 /nfs/dbraw/zinc/35/78/76/402357876.db2.gz DXOJOBVUCDLRNW-CQSZACIVSA-N 1 2 315.348 2.060 20 70 DEIDLO O=C(Nc1cccc(F)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160717186 402357879 /nfs/dbraw/zinc/35/78/79/402357879.db2.gz DXOJOBVUCDLRNW-CQSZACIVSA-N 1 2 315.348 2.060 20 70 DEIDLO CCC1(CNC(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161112125 402373154 /nfs/dbraw/zinc/37/31/54/402373154.db2.gz JKKRSKWBGHVHRU-CABCVRRESA-N 1 2 311.470 2.365 20 70 DEIDLO CC(C)CONC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159385987 519759149 /nfs/dbraw/zinc/75/91/49/519759149.db2.gz JEXSLANWRZNFGB-UHFFFAOYSA-N 1 2 307.394 2.228 20 70 DEIDLO CC[C@@H](C)OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161152787 522247393 /nfs/dbraw/zinc/24/73/93/522247393.db2.gz HCWCBDYGVXRMQD-GFCCVEGCSA-N 1 2 305.353 2.443 20 70 DEIDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160068288 522803720 /nfs/dbraw/zinc/80/37/20/522803720.db2.gz JIVCKWKFQWLYOM-ZDUSSCGKSA-N 1 2 320.418 2.353 20 70 DEIDLO COCCC1(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000161040039 523035292 /nfs/dbraw/zinc/03/52/92/523035292.db2.gz HLLMTFMMXVROSH-UHFFFAOYSA-N 1 2 306.410 2.046 20 70 DEIDLO Cc1ccc(NC(=O)C(=O)Nc2cnn(CC(C)C)c2)c(C)[nH+]1 ZINC000160366467 525013985 /nfs/dbraw/zinc/01/39/85/525013985.db2.gz GLZHHUJPSAAVIF-UHFFFAOYSA-N 1 2 315.377 2.128 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000160071197 525973555 /nfs/dbraw/zinc/97/35/55/525973555.db2.gz XYRUOYCQQQUZGT-CQSZACIVSA-N 1 2 318.446 2.394 20 70 DEIDLO CCCCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159549351 186126235 /nfs/dbraw/zinc/12/62/35/186126235.db2.gz FRAVKZREKMCLRV-SFHVURJKSA-N 1 2 302.418 2.077 20 70 DEIDLO CCCCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159549351 186126237 /nfs/dbraw/zinc/12/62/37/186126237.db2.gz FRAVKZREKMCLRV-SFHVURJKSA-N 1 2 302.418 2.077 20 70 DEIDLO O=C(NCCCCNc1cccc[nH+]1)NCCc1cscn1 ZINC000159602542 291656581 /nfs/dbraw/zinc/65/65/81/291656581.db2.gz QLIQOJOBXRBFEK-UHFFFAOYSA-N 1 2 319.434 2.272 20 70 DEIDLO CCn1nccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000159778017 197363506 /nfs/dbraw/zinc/36/35/06/197363506.db2.gz PKUHGDIMSJSCND-UHFFFAOYSA-N 1 2 301.390 2.479 20 70 DEIDLO CCn1nccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000159778017 197363507 /nfs/dbraw/zinc/36/35/07/197363507.db2.gz PKUHGDIMSJSCND-UHFFFAOYSA-N 1 2 301.390 2.479 20 70 DEIDLO CCn1cnnc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000218232582 402295701 /nfs/dbraw/zinc/29/57/01/402295701.db2.gz HYGVCVKXSVRZMN-UHFFFAOYSA-N 1 2 300.284 2.486 20 70 DEIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCSCC3)c2c1 ZINC000160591094 402352563 /nfs/dbraw/zinc/35/25/63/402352563.db2.gz OREJBKXPXBREEO-UHFFFAOYSA-N 1 2 318.398 2.186 20 70 DEIDLO O=C(NCCc1ccccc1Cl)[C@H]1CCn2cc[nH+]c2C1 ZINC000160840624 402362499 /nfs/dbraw/zinc/36/24/99/402362499.db2.gz LJTIMGIWAGADTJ-ZDUSSCGKSA-N 1 2 303.793 2.458 20 70 DEIDLO CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cnn(C)c1 ZINC000161082842 402372048 /nfs/dbraw/zinc/37/20/48/402372048.db2.gz JHXSOYMUQILBLE-UHFFFAOYSA-N 1 2 308.332 2.159 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1cnn(C)c1 ZINC000161082842 402372050 /nfs/dbraw/zinc/37/20/50/402372050.db2.gz JHXSOYMUQILBLE-UHFFFAOYSA-N 1 2 308.332 2.159 20 70 DEIDLO CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 ZINC000161125982 402373927 /nfs/dbraw/zinc/37/39/27/402373927.db2.gz ULJXKDSURQJQBO-GOEBONIOSA-N 1 2 306.454 2.279 20 70 DEIDLO CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 ZINC000161125982 402373929 /nfs/dbraw/zinc/37/39/29/402373929.db2.gz ULJXKDSURQJQBO-GOEBONIOSA-N 1 2 306.454 2.279 20 70 DEIDLO Cc1ccccc1Cc1nnc(C[N@@H+]2CCCC[C@@H]2CO)o1 ZINC000159993457 402335232 /nfs/dbraw/zinc/33/52/32/402335232.db2.gz FMDZKXWLBWDENP-OAHLLOKOSA-N 1 2 301.390 2.316 20 70 DEIDLO Cc1ccccc1Cc1nnc(C[N@H+]2CCCC[C@@H]2CO)o1 ZINC000159993457 402335233 /nfs/dbraw/zinc/33/52/33/402335233.db2.gz FMDZKXWLBWDENP-OAHLLOKOSA-N 1 2 301.390 2.316 20 70 DEIDLO C/C(=C/c1ccccc1)C[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000161006975 518414057 /nfs/dbraw/zinc/41/40/57/518414057.db2.gz MHTUYFJWOROIMQ-BROZXCPCSA-N 1 2 314.429 2.413 20 70 DEIDLO CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000160324376 520833457 /nfs/dbraw/zinc/83/34/57/520833457.db2.gz HDZMWQLBDLMDCP-CYBMUJFWSA-N 1 2 315.373 2.252 20 70 DEIDLO CC[C@H](C)OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159763995 521753151 /nfs/dbraw/zinc/75/31/51/521753151.db2.gz AZNOKZXZCFDZPB-AWEZNQCLSA-N 1 2 306.406 2.272 20 70 DEIDLO COCc1cc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000161491442 522924170 /nfs/dbraw/zinc/92/41/70/522924170.db2.gz TVZZYAGOIOVCFP-ZDUSSCGKSA-N 1 2 317.364 2.047 20 70 DEIDLO COc1ccc(C(F)(F)C(=O)N(C)Cc2[nH+]ccn2C)cc1 ZINC000160162678 523794530 /nfs/dbraw/zinc/79/45/30/523794530.db2.gz QPBAVYQATUPURU-UHFFFAOYSA-N 1 2 309.316 2.179 20 70 DEIDLO C[C@@H](NC(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000159929959 525260882 /nfs/dbraw/zinc/26/08/82/525260882.db2.gz GDXPKOJKRASSBG-HUUCEWRRSA-N 1 2 322.474 2.318 20 70 DEIDLO CCOc1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000160098456 197385072 /nfs/dbraw/zinc/38/50/72/197385072.db2.gz NIFXLWRQDCULRA-GFCCVEGCSA-N 1 2 315.373 2.492 20 70 DEIDLO CCC[N@H+](CC(=O)N1CCCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000160000321 197379022 /nfs/dbraw/zinc/37/90/22/197379022.db2.gz GZYMZWIAZLLAPW-OAHLLOKOSA-N 1 2 317.433 2.348 20 70 DEIDLO CCC[N@@H+](CC(=O)N1CCCC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000160000321 197379024 /nfs/dbraw/zinc/37/90/24/197379024.db2.gz GZYMZWIAZLLAPW-OAHLLOKOSA-N 1 2 317.433 2.348 20 70 DEIDLO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159541528 197360828 /nfs/dbraw/zinc/36/08/28/197360828.db2.gz HDFMGZVIEJTTNK-KGLIPLIRSA-N 1 2 318.421 2.001 20 70 DEIDLO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCC2(CCC2)C1 ZINC000159430075 197353296 /nfs/dbraw/zinc/35/32/96/197353296.db2.gz CGVBGYGZFYZGJH-UHFFFAOYSA-N 1 2 324.384 2.213 20 70 DEIDLO CC[N@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160575367 402352043 /nfs/dbraw/zinc/35/20/43/402352043.db2.gz BHWVHSHBOBHALS-NSHDSACASA-N 1 2 316.492 2.450 20 70 DEIDLO CC[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 ZINC000160575367 402352045 /nfs/dbraw/zinc/35/20/45/402352045.db2.gz BHWVHSHBOBHALS-NSHDSACASA-N 1 2 316.492 2.450 20 70 DEIDLO CC[N@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cnn(C)c1 ZINC000161095500 402372829 /nfs/dbraw/zinc/37/28/29/402372829.db2.gz PEBYERTVQZEQCH-UHFFFAOYSA-N 1 2 318.396 2.040 20 70 DEIDLO CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1cnn(C)c1 ZINC000161095500 402372831 /nfs/dbraw/zinc/37/28/31/402372831.db2.gz PEBYERTVQZEQCH-UHFFFAOYSA-N 1 2 318.396 2.040 20 70 DEIDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000161208185 402377802 /nfs/dbraw/zinc/37/78/02/402377802.db2.gz RCLREMXVLRIUEH-UHFFFAOYSA-N 1 2 300.761 2.264 20 70 DEIDLO CC(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161373252 402385114 /nfs/dbraw/zinc/38/51/14/402385114.db2.gz FMLFXBYSOUPZNQ-MRXNPFEDSA-N 1 2 309.369 2.293 20 70 DEIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160066175 402335644 /nfs/dbraw/zinc/33/56/44/402335644.db2.gz MNIPIRZQZCMQRN-HUUCEWRRSA-N 1 2 318.421 2.049 20 70 DEIDLO CCN(Cc1ccccc1)C(=O)CSCC[NH+]1CCOCC1 ZINC000160046374 402335760 /nfs/dbraw/zinc/33/57/60/402335760.db2.gz DLEHFKGIIJKARJ-UHFFFAOYSA-N 1 2 322.474 2.101 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n(C)n1 ZINC000160093045 402335984 /nfs/dbraw/zinc/33/59/84/402335984.db2.gz YSDVVKCMTJJULS-OAHLLOKOSA-N 1 2 313.405 2.208 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n(C)n1 ZINC000160093045 402335987 /nfs/dbraw/zinc/33/59/87/402335987.db2.gz YSDVVKCMTJJULS-OAHLLOKOSA-N 1 2 313.405 2.208 20 70 DEIDLO COC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153967 402336759 /nfs/dbraw/zinc/33/67/59/402336759.db2.gz HTKBQGQKBQHLOA-LBPRGKRZSA-N 1 2 319.336 2.228 20 70 DEIDLO COC(=O)C[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153967 402336763 /nfs/dbraw/zinc/33/67/63/402336763.db2.gz HTKBQGQKBQHLOA-LBPRGKRZSA-N 1 2 319.336 2.228 20 70 DEIDLO CCCO[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161510911 402389741 /nfs/dbraw/zinc/38/97/41/402389741.db2.gz OIBZSZVRKWDMJW-GJZGRUSLSA-N 1 2 305.422 2.253 20 70 DEIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159490918 525881729 /nfs/dbraw/zinc/88/17/29/525881729.db2.gz FNNGDLFEXSIBNJ-ZIAGYGMSSA-N 1 2 322.474 2.387 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)Cc1ccccc1 ZINC000160042634 525974413 /nfs/dbraw/zinc/97/44/13/525974413.db2.gz RANVNOLEJHDJJV-OAHLLOKOSA-N 1 2 322.474 2.099 20 70 DEIDLO C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000159664884 186134303 /nfs/dbraw/zinc/13/43/03/186134303.db2.gz ADVBXLCMFGWUFV-ZBFHGGJFSA-N 1 2 324.428 2.013 20 70 DEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1=C(C)OCCC1 ZINC000160510670 197418228 /nfs/dbraw/zinc/41/82/28/197418228.db2.gz MFWLABDXZPZBSQ-UHFFFAOYSA-N 1 2 317.389 2.250 20 70 DEIDLO CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159779471 197363132 /nfs/dbraw/zinc/36/31/32/197363132.db2.gz HESNQQLDXIKOGS-LLVKDONJSA-N 1 2 303.175 2.456 20 70 DEIDLO CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159779471 197363134 /nfs/dbraw/zinc/36/31/34/197363134.db2.gz HESNQQLDXIKOGS-LLVKDONJSA-N 1 2 303.175 2.456 20 70 DEIDLO CS(=O)(=O)c1ccc(N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000159365084 197347322 /nfs/dbraw/zinc/34/73/22/197347322.db2.gz CFJJMLQVKCSHFL-UHFFFAOYSA-N 1 2 305.403 2.128 20 70 DEIDLO CCOc1c(Cl)cc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000160315959 402340555 /nfs/dbraw/zinc/34/05/55/402340555.db2.gz YPGUSNZIOKZQRE-GFCCVEGCSA-N 1 2 312.797 2.197 20 70 DEIDLO CCOc1c(Cl)cc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1OC ZINC000160315959 402340558 /nfs/dbraw/zinc/34/05/58/402340558.db2.gz YPGUSNZIOKZQRE-GFCCVEGCSA-N 1 2 312.797 2.197 20 70 DEIDLO CC(C)c1nc(N(C)C)nc(N[C@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160406227 402344361 /nfs/dbraw/zinc/34/43/61/402344361.db2.gz ADAMCZIAXUTTKK-QWHCGFSZSA-N 1 2 305.426 2.431 20 70 DEIDLO CC(C)c1nc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000160406227 402344362 /nfs/dbraw/zinc/34/43/62/402344362.db2.gz ADAMCZIAXUTTKK-QWHCGFSZSA-N 1 2 305.426 2.431 20 70 DEIDLO C[C@]1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCS1 ZINC000160736011 402359190 /nfs/dbraw/zinc/35/91/90/402359190.db2.gz IPFKUVNLMCPNJB-MRXNPFEDSA-N 1 2 322.478 2.347 20 70 DEIDLO Cc1cc[nH+]c(N2CCN(Cc3nccn3C(F)F)CC2)c1 ZINC000161452710 402388249 /nfs/dbraw/zinc/38/82/49/402388249.db2.gz HSPQLSXVFMIBHM-UHFFFAOYSA-N 1 2 307.348 2.304 20 70 DEIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2c[nH]c(=O)c(C)c2)c1 ZINC000159660247 402327497 /nfs/dbraw/zinc/32/74/97/402327497.db2.gz WXKMQQSQBYVTID-UHFFFAOYSA-N 1 2 308.341 2.430 20 70 DEIDLO Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H]3CSC[NH2+]3)s2)c1 ZINC000160115295 280413054 /nfs/dbraw/zinc/41/30/54/280413054.db2.gz VZKFAWVELFEWPJ-NSHDSACASA-N 1 2 320.443 2.423 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)c1cn(-c2ccccc2)nn1 ZINC000160071069 525976551 /nfs/dbraw/zinc/97/65/51/525976551.db2.gz XYRUOYCQQQUZGT-AWEZNQCLSA-N 1 2 318.446 2.394 20 70 DEIDLO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000159610866 539582756 /nfs/dbraw/zinc/58/27/56/539582756.db2.gz UJADMHLMHMTISE-UHFFFAOYSA-N 1 2 308.407 2.049 20 70 DEIDLO Cc1cccc(C(=O)N2CC[NH+](Cc3ccccn3)CC2)c1F ZINC000160189208 197391962 /nfs/dbraw/zinc/39/19/62/197391962.db2.gz WLOQUKCREZGEFX-UHFFFAOYSA-N 1 2 313.376 2.487 20 70 DEIDLO Cc1cnc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160080530 197384790 /nfs/dbraw/zinc/38/47/90/197384790.db2.gz BHDBCLZFTWHVHV-NSHDSACASA-N 1 2 303.391 2.247 20 70 DEIDLO COC(=O)C1([N@H+](C)Cc2cnn(C)c2C(F)(F)F)CCCC1 ZINC000159432027 197353024 /nfs/dbraw/zinc/35/30/24/197353024.db2.gz JFADDMJASPYELM-UHFFFAOYSA-N 1 2 319.327 2.357 20 70 DEIDLO COC(=O)C1([N@@H+](C)Cc2cnn(C)c2C(F)(F)F)CCCC1 ZINC000159432027 197353025 /nfs/dbraw/zinc/35/30/25/197353025.db2.gz JFADDMJASPYELM-UHFFFAOYSA-N 1 2 319.327 2.357 20 70 DEIDLO c1c(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)nc2ncccn12 ZINC000159433383 402323476 /nfs/dbraw/zinc/32/34/76/402323476.db2.gz XCBWAYHGGXTFSN-LJQANCHMSA-N 1 2 320.396 2.403 20 70 DEIDLO c1c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)nc2ncccn12 ZINC000159433383 402323477 /nfs/dbraw/zinc/32/34/77/402323477.db2.gz XCBWAYHGGXTFSN-LJQANCHMSA-N 1 2 320.396 2.403 20 70 DEIDLO C[C@H](C(=O)NCCc1cn2ccccc2[nH+]1)C1CCOCC1 ZINC000161436494 402387594 /nfs/dbraw/zinc/38/75/94/402387594.db2.gz MDQBFRGIWCIMRZ-ZDUSSCGKSA-N 1 2 301.390 2.056 20 70 DEIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC2(CCC2)C1 ZINC000160734894 402358355 /nfs/dbraw/zinc/35/83/55/402358355.db2.gz IJPNFYOMCNFEII-UHFFFAOYSA-N 1 2 302.422 2.348 20 70 DEIDLO CC[C@@](C)(NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1nccs1 ZINC000160795904 402360864 /nfs/dbraw/zinc/36/08/64/402360864.db2.gz QVFWORCQWSYNHV-BXUZGUMPSA-N 1 2 307.423 2.353 20 70 DEIDLO CCOC(=O)C[C@H](C)CNc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000161021398 402369344 /nfs/dbraw/zinc/36/93/44/402369344.db2.gz DBCZEYKLHUJPIV-NSHDSACASA-N 1 2 309.414 2.062 20 70 DEIDLO CCOC(=O)C[C@H](C)CNc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000161021398 402369347 /nfs/dbraw/zinc/36/93/47/402369347.db2.gz DBCZEYKLHUJPIV-NSHDSACASA-N 1 2 309.414 2.062 20 70 DEIDLO CCOc1ccccc1NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161081540 402372314 /nfs/dbraw/zinc/37/23/14/402372314.db2.gz UYFOQOOXLYPZDC-UHFFFAOYSA-N 1 2 316.405 2.279 20 70 DEIDLO CCOc1ccccc1NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161081540 402372316 /nfs/dbraw/zinc/37/23/16/402372316.db2.gz UYFOQOOXLYPZDC-UHFFFAOYSA-N 1 2 316.405 2.279 20 70 DEIDLO O=C(NCc1cc(-c2ccccc2)on1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161130381 402374191 /nfs/dbraw/zinc/37/41/91/402374191.db2.gz ARQVPAIVURCSQJ-AWEZNQCLSA-N 1 2 322.368 2.417 20 70 DEIDLO COC[C@H](O)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000161474537 402388551 /nfs/dbraw/zinc/38/85/51/402388551.db2.gz VQEMHNONGWAECL-CQSZACIVSA-N 1 2 316.357 2.001 20 70 DEIDLO Fc1ccccc1OCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161161178 402375901 /nfs/dbraw/zinc/37/59/01/402375901.db2.gz KJMZUINVRWUQRV-UHFFFAOYSA-N 1 2 315.392 2.417 20 70 DEIDLO Fc1ccccc1OCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161161178 402375904 /nfs/dbraw/zinc/37/59/04/402375904.db2.gz KJMZUINVRWUQRV-UHFFFAOYSA-N 1 2 315.392 2.417 20 70 DEIDLO Cc1ncc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000161316773 402381913 /nfs/dbraw/zinc/38/19/13/402381913.db2.gz WMYQTCOLXJBMTM-GFUIURDCSA-N 1 2 314.414 2.255 20 70 DEIDLO Cc1cc(C(=O)N2CC[NH+](CCOCC3CC3)CC2)c(C)o1 ZINC000159619731 402326923 /nfs/dbraw/zinc/32/69/23/402326923.db2.gz MCTWCWWTRILVBH-UHFFFAOYSA-N 1 2 306.406 2.081 20 70 DEIDLO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCOC[C@@H]3C3CC3)c12 ZINC000159658452 296648937 /nfs/dbraw/zinc/64/89/37/296648937.db2.gz LEGYYVNQKYDICH-MRXNPFEDSA-N 1 2 321.384 2.431 20 70 DEIDLO CCc1oc(C(=O)OC)cc1CSCC[NH+]1CCOCC1 ZINC000159770510 523002641 /nfs/dbraw/zinc/00/26/41/523002641.db2.gz KOMSOVATDSYYFP-UHFFFAOYSA-N 1 2 313.419 2.194 20 70 DEIDLO Cc1c[nH+]ccc1NC(=O)c1cc(N2CCNC2=O)ccc1F ZINC000159388107 355961345 /nfs/dbraw/zinc/96/13/45/355961345.db2.gz YYNJLVJVJGATGU-UHFFFAOYSA-N 1 2 314.320 2.311 20 70 DEIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159910605 355962755 /nfs/dbraw/zinc/96/27/55/355962755.db2.gz ATEPQMOANITKFZ-SJLPKXTDSA-N 1 2 318.461 2.338 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000160158481 197389980 /nfs/dbraw/zinc/38/99/80/197389980.db2.gz QIDXFOABLYWUHQ-HOTGVXAUSA-N 1 2 300.402 2.311 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000160158481 197389982 /nfs/dbraw/zinc/38/99/82/197389982.db2.gz QIDXFOABLYWUHQ-HOTGVXAUSA-N 1 2 300.402 2.311 20 70 DEIDLO CCOC(=O)[C@@H](Cc1ccccc1)SCC[NH+]1CCOCC1 ZINC000160028106 291661825 /nfs/dbraw/zinc/66/18/25/291661825.db2.gz GUMNXLVQLLCMJS-MRXNPFEDSA-N 1 2 323.458 2.226 20 70 DEIDLO O=C1NCCN(Cc2c[nH+]c3ccccn23)[C@@H]1c1ccccc1 ZINC000160536791 402349952 /nfs/dbraw/zinc/34/99/52/402349952.db2.gz QXJYMSCENIDXGL-QGZVFWFLSA-N 1 2 306.369 2.007 20 70 DEIDLO CC1(C)CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160609740 402354056 /nfs/dbraw/zinc/35/40/56/402354056.db2.gz UXVKBWTZILNAHM-MRXNPFEDSA-N 1 2 316.449 2.488 20 70 DEIDLO Cc1ccccc1OCCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161434797 402387759 /nfs/dbraw/zinc/38/77/59/402387759.db2.gz VVQWEIRZXXKXQU-HNNXBMFYSA-N 1 2 313.401 2.339 20 70 DEIDLO COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000160919024 402365404 /nfs/dbraw/zinc/36/54/04/402365404.db2.gz ABHSAKVPTMGCSK-UHFFFAOYSA-N 1 2 324.333 2.117 20 70 DEIDLO CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cnn(C)c1 ZINC000161080269 402371915 /nfs/dbraw/zinc/37/19/15/402371915.db2.gz GORUYAUPMADKMF-AWEZNQCLSA-N 1 2 300.406 2.119 20 70 DEIDLO CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)Cc1cnn(C)c1 ZINC000161080269 402371917 /nfs/dbraw/zinc/37/19/17/402371917.db2.gz GORUYAUPMADKMF-AWEZNQCLSA-N 1 2 300.406 2.119 20 70 DEIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCC1CCC(C)(C)CC1 ZINC000159794731 402330980 /nfs/dbraw/zinc/33/09/80/402330980.db2.gz LLKVNARODMDFCW-CQSZACIVSA-N 1 2 311.470 2.223 20 70 DEIDLO Cc1ccc(C(=O)CC[NH+]2CCN(Cc3ccon3)CC2)cc1 ZINC000159827960 402331688 /nfs/dbraw/zinc/33/16/88/402331688.db2.gz DNNZJZHCZJTJSW-UHFFFAOYSA-N 1 2 313.401 2.374 20 70 DEIDLO CC(C)[C@@H](SCC[NH+]1CCOCC1)C(=O)NC1CCCC1 ZINC000160059661 402335698 /nfs/dbraw/zinc/33/56/98/402335698.db2.gz KQTBJAGLHJIXFC-OAHLLOKOSA-N 1 2 314.495 2.135 20 70 DEIDLO CCN(C(=O)[C@@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160009334 520016759 /nfs/dbraw/zinc/01/67/59/520016759.db2.gz GIADQPHLNHKLRQ-OAHLLOKOSA-N 1 2 322.474 2.493 20 70 DEIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000159699048 520216420 /nfs/dbraw/zinc/21/64/20/520216420.db2.gz WIMPRHWFKNRCRH-AWEZNQCLSA-N 1 2 310.438 2.053 20 70 DEIDLO CN(CCCn1cc[nH+]c1)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000160068401 522803700 /nfs/dbraw/zinc/80/37/00/522803700.db2.gz JIVCKWKFQWLYOM-CYBMUJFWSA-N 1 2 320.418 2.353 20 70 DEIDLO CN(Cc1[nH+]ccn1C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000160091445 523593663 /nfs/dbraw/zinc/59/36/63/523593663.db2.gz CZGRZBNWIFVELJ-NSHDSACASA-N 1 2 306.391 2.000 20 70 DEIDLO Cc1ccc(CCC(=O)NCC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000160065736 524294879 /nfs/dbraw/zinc/29/48/79/524294879.db2.gz ITQLHESPFOUZLC-UHFFFAOYSA-N 1 2 311.385 2.386 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1cccc(F)c1 ZINC000159972658 525976265 /nfs/dbraw/zinc/97/62/65/525976265.db2.gz GGEMBNHYOYTDGV-LBPRGKRZSA-N 1 2 312.410 2.218 20 70 DEIDLO CCCCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159584496 186128710 /nfs/dbraw/zinc/12/87/10/186128710.db2.gz BLLJYDQSUINPQS-HNAYVOBHSA-N 1 2 316.445 2.465 20 70 DEIDLO CCCCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159584496 186128711 /nfs/dbraw/zinc/12/87/11/186128711.db2.gz BLLJYDQSUINPQS-HNAYVOBHSA-N 1 2 316.445 2.465 20 70 DEIDLO COc1c(F)cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000160208091 197393307 /nfs/dbraw/zinc/39/33/07/197393307.db2.gz ULNOWHDCYXGESZ-SECBINFHSA-N 1 2 307.300 2.371 20 70 DEIDLO CCOc1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000160098588 197384987 /nfs/dbraw/zinc/38/49/87/197384987.db2.gz NIFXLWRQDCULRA-LBPRGKRZSA-N 1 2 315.373 2.492 20 70 DEIDLO CC(C)CCOC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160081734 197384261 /nfs/dbraw/zinc/38/42/61/197384261.db2.gz OMUPGDXAYALPPB-OAHLLOKOSA-N 1 2 319.449 2.499 20 70 DEIDLO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nsc(N(C)C)n1)C2 ZINC000160035379 197381226 /nfs/dbraw/zinc/38/12/26/197381226.db2.gz CZVJCDJLTGYUNU-UHFFFAOYSA-N 1 2 320.466 2.019 20 70 DEIDLO CN(C)c1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161442028 402387817 /nfs/dbraw/zinc/38/78/17/402387817.db2.gz KLXCGMYKFDZILA-HNNXBMFYSA-N 1 2 310.401 2.156 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000161072237 402371511 /nfs/dbraw/zinc/37/15/11/402371511.db2.gz AEMWINMMSPUBRN-AWEZNQCLSA-N 1 2 306.454 2.327 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000161072237 402371512 /nfs/dbraw/zinc/37/15/12/402371512.db2.gz AEMWINMMSPUBRN-AWEZNQCLSA-N 1 2 306.454 2.327 20 70 DEIDLO CC1(O)CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000161196682 402377268 /nfs/dbraw/zinc/37/72/68/402377268.db2.gz PKJQCHMSJATVEY-UHFFFAOYSA-N 1 2 300.761 2.264 20 70 DEIDLO CCS[C@@H](C)c1noc(CSCC[NH+]2CCOCC2)n1 ZINC000159772399 402330277 /nfs/dbraw/zinc/33/02/77/402330277.db2.gz AKBNOPZPJZNTQW-NSHDSACASA-N 1 2 317.480 2.449 20 70 DEIDLO COC(=O)CCCC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000159422130 522955519 /nfs/dbraw/zinc/95/55/19/522955519.db2.gz JPTGDUPRPWLBRQ-ZDUSSCGKSA-N 1 2 324.446 2.297 20 70 DEIDLO CC[C@@H](O)CCNC(=O)NCCC[N@H+](CC)c1ccccc1 ZINC000160806710 522978807 /nfs/dbraw/zinc/97/88/07/522978807.db2.gz VKJOGUZHDXJTPU-MRXNPFEDSA-N 1 2 307.438 2.363 20 70 DEIDLO CC[C@@H](O)CCNC(=O)NCCC[N@@H+](CC)c1ccccc1 ZINC000160806710 522978813 /nfs/dbraw/zinc/97/88/13/522978813.db2.gz VKJOGUZHDXJTPU-MRXNPFEDSA-N 1 2 307.438 2.363 20 70 DEIDLO c1cc(-c2nc(CSCC[NH+]3CCOCC3)no2)cs1 ZINC000159914955 526414656 /nfs/dbraw/zinc/41/46/56/526414656.db2.gz BMEQMSTYZKHYGD-UHFFFAOYSA-N 1 2 311.432 2.364 20 70 DEIDLO C[N@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388211 282176639 /nfs/dbraw/zinc/17/66/39/282176639.db2.gz GJFWOZPAGLAQNH-GFCCVEGCSA-N 1 2 315.186 2.456 20 70 DEIDLO C[N@@H+](CC1CC1)[C@@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388211 282176640 /nfs/dbraw/zinc/17/66/40/282176640.db2.gz GJFWOZPAGLAQNH-GFCCVEGCSA-N 1 2 315.186 2.456 20 70 DEIDLO O=C(/C=C\c1ccccc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000217898082 539726676 /nfs/dbraw/zinc/72/66/76/539726676.db2.gz XZNVSMGHGSBCNL-HJWRWDBZSA-N 1 2 307.397 2.439 20 70 DEIDLO Cc1cc(N2CCN(C(=O)C3(C)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000160147344 197388555 /nfs/dbraw/zinc/38/85/55/197388555.db2.gz ZMUQGYHXVRZWFM-UHFFFAOYSA-N 1 2 302.422 2.357 20 70 DEIDLO CC[N@H+](CCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159952733 197376096 /nfs/dbraw/zinc/37/60/96/197376096.db2.gz ODGWCAAVKCBKHR-GOSISDBHSA-N 1 2 319.449 2.459 20 70 DEIDLO CC[N@@H+](CCCNC(=O)N1CCC[C@@](C)(O)C1)c1ccccc1 ZINC000159952733 197376098 /nfs/dbraw/zinc/37/60/98/197376098.db2.gz ODGWCAAVKCBKHR-GOSISDBHSA-N 1 2 319.449 2.459 20 70 DEIDLO CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cnn(C)c1 ZINC000161084258 402372232 /nfs/dbraw/zinc/37/22/32/402372232.db2.gz YZFNNKNPWJOJPD-UHFFFAOYSA-N 1 2 316.405 2.198 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1cc(C)ccc1OC)Cc1cnn(C)c1 ZINC000161084258 402372235 /nfs/dbraw/zinc/37/22/35/402372235.db2.gz YZFNNKNPWJOJPD-UHFFFAOYSA-N 1 2 316.405 2.198 20 70 DEIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cccc(F)n1 ZINC000161257207 402379374 /nfs/dbraw/zinc/37/93/74/402379374.db2.gz QZVHCOJCXHDBAB-UHFFFAOYSA-N 1 2 300.337 2.146 20 70 DEIDLO CC(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161373380 402385353 /nfs/dbraw/zinc/38/53/53/402385353.db2.gz FMLFXBYSOUPZNQ-INIZCTEOSA-N 1 2 309.369 2.293 20 70 DEIDLO O=C(C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159675131 402328344 /nfs/dbraw/zinc/32/83/44/402328344.db2.gz ULLBJLQKHBXQER-IBGZPJMESA-N 1 2 314.429 2.173 20 70 DEIDLO O=C(C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159675131 402328348 /nfs/dbraw/zinc/32/83/48/402328348.db2.gz ULLBJLQKHBXQER-IBGZPJMESA-N 1 2 314.429 2.173 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128242 402336609 /nfs/dbraw/zinc/33/66/09/402336609.db2.gz CBDXCGXNZGZPAK-ZWKOTPCHSA-N 1 2 303.402 2.448 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000160128242 402336612 /nfs/dbraw/zinc/33/66/12/402336612.db2.gz CBDXCGXNZGZPAK-ZWKOTPCHSA-N 1 2 303.402 2.448 20 70 DEIDLO CCOC(=O)C[C@H](C)NC(=O)c1cc(C)ccc1-n1cc[nH+]c1 ZINC000160324456 520878096 /nfs/dbraw/zinc/87/80/96/520878096.db2.gz HDZMWQLBDLMDCP-ZDUSSCGKSA-N 1 2 315.373 2.252 20 70 DEIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000161056647 521366903 /nfs/dbraw/zinc/36/69/03/521366903.db2.gz IRYDYKMDDZEEHB-HNNXBMFYSA-N 1 2 314.433 2.289 20 70 DEIDLO CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000161056647 521366926 /nfs/dbraw/zinc/36/69/26/521366926.db2.gz IRYDYKMDDZEEHB-HNNXBMFYSA-N 1 2 314.433 2.289 20 70 DEIDLO COc1ccc(C[N@H+](C)Cc2cc(C(N)=O)cs2)c(OC)c1 ZINC000160838855 524006915 /nfs/dbraw/zinc/00/69/15/524006915.db2.gz URONTVRCUAALMU-UHFFFAOYSA-N 1 2 320.414 2.496 20 70 DEIDLO COc1ccc(C[N@@H+](C)Cc2cc(C(N)=O)cs2)c(OC)c1 ZINC000160838855 524006927 /nfs/dbraw/zinc/00/69/27/524006927.db2.gz URONTVRCUAALMU-UHFFFAOYSA-N 1 2 320.414 2.496 20 70 DEIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N(C)CCC1CC1 ZINC000160581851 526971200 /nfs/dbraw/zinc/97/12/00/526971200.db2.gz XNWVSHPLIMADII-UHFFFAOYSA-N 1 2 318.421 2.490 20 70 DEIDLO Cc1cc(C[NH+]2CCN(Cc3nc4ccccc4[nH]3)CC2)on1 ZINC000159411194 539581789 /nfs/dbraw/zinc/58/17/89/539581789.db2.gz OKISQKHJDLAKMM-UHFFFAOYSA-N 1 2 311.389 2.177 20 70 DEIDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161457636 291675124 /nfs/dbraw/zinc/67/51/24/291675124.db2.gz IKPUKZQIYRDKKR-NWDGAFQWSA-N 1 2 311.344 2.353 20 70 DEIDLO Cc1[nH+]c2ccccn2c1CN1CCNC(=O)[C@H]1c1ccccc1 ZINC000160537418 402350039 /nfs/dbraw/zinc/35/00/39/402350039.db2.gz UDDSDPUGOQYURL-GOSISDBHSA-N 1 2 320.396 2.316 20 70 DEIDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160625361 402354480 /nfs/dbraw/zinc/35/44/80/402354480.db2.gz NMHFRIVQPALZQW-LBPRGKRZSA-N 1 2 301.346 2.246 20 70 DEIDLO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC2(C1)OCCO2 ZINC000160625361 402354483 /nfs/dbraw/zinc/35/44/83/402354483.db2.gz NMHFRIVQPALZQW-LBPRGKRZSA-N 1 2 301.346 2.246 20 70 DEIDLO CCn1cc[nH+]c1CN1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000160754402 402359428 /nfs/dbraw/zinc/35/94/28/402359428.db2.gz OKUKXIFCVSYBQL-UHFFFAOYSA-N 1 2 316.380 2.000 20 70 DEIDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(F)n3)CC2)c1 ZINC000161010971 402369060 /nfs/dbraw/zinc/36/90/60/402369060.db2.gz YTZYYLPJRYKLDW-UHFFFAOYSA-N 1 2 313.376 2.487 20 70 DEIDLO NC(=O)C1([NH2+]Cc2noc(-c3ccsc3)n2)CCCCC1 ZINC000161109372 402373611 /nfs/dbraw/zinc/37/36/11/402373611.db2.gz NTXUTJGTNQQFME-UHFFFAOYSA-N 1 2 306.391 2.076 20 70 DEIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000161127680 402374139 /nfs/dbraw/zinc/37/41/39/402374139.db2.gz NCMFKEMNEMXGAS-CQSZACIVSA-N 1 2 315.421 2.281 20 70 DEIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1c(C)nn(C)c1C ZINC000161127680 402374140 /nfs/dbraw/zinc/37/41/40/402374140.db2.gz NCMFKEMNEMXGAS-CQSZACIVSA-N 1 2 315.421 2.281 20 70 DEIDLO Oc1ccccc1-c1nc(CSCC[NH+]2CCOCC2)no1 ZINC000159892309 402333069 /nfs/dbraw/zinc/33/30/69/402333069.db2.gz XYKTUQCEIWWDGN-UHFFFAOYSA-N 1 2 321.402 2.008 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)NC1CCC(C)CC1 ZINC000159956141 402334183 /nfs/dbraw/zinc/33/41/83/402334183.db2.gz ZHNDMUVMYYMMPR-SLTAFYQDSA-N 1 2 314.495 2.135 20 70 DEIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+](C)Cc1cnn(C)c1 ZINC000161056531 521366965 /nfs/dbraw/zinc/36/69/65/521366965.db2.gz IRYDYKMDDZEEHB-OAHLLOKOSA-N 1 2 314.433 2.289 20 70 DEIDLO CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+](C)Cc1cnn(C)c1 ZINC000161056531 521366974 /nfs/dbraw/zinc/36/69/74/521366974.db2.gz IRYDYKMDDZEEHB-OAHLLOKOSA-N 1 2 314.433 2.289 20 70 DEIDLO CCc1nnc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)[nH]1 ZINC000160389591 522346962 /nfs/dbraw/zinc/34/69/62/522346962.db2.gz SHEYHLIWBCDFFC-LBPRGKRZSA-N 1 2 313.405 2.345 20 70 DEIDLO O=C(CSCC[NH+]1CCOCC1)Nc1cccc(Cl)c1 ZINC000159970823 527018341 /nfs/dbraw/zinc/01/83/41/527018341.db2.gz RHCAEFFXQVVVSU-UHFFFAOYSA-N 1 2 314.838 2.344 20 70 DEIDLO CCN1CCc2ccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc21 ZINC000161351599 539591234 /nfs/dbraw/zinc/59/12/34/539591234.db2.gz FWDIOPCORVKBMN-CQSZACIVSA-N 1 2 310.401 2.467 20 70 DEIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553584 186126888 /nfs/dbraw/zinc/12/68/88/186126888.db2.gz VWYLEAGTJJYBFF-XJKSGUPXSA-N 1 2 315.417 2.303 20 70 DEIDLO COCCOc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159835135 197368160 /nfs/dbraw/zinc/36/81/60/197368160.db2.gz WGPWZWNGBFMVIX-ZDUSSCGKSA-N 1 2 315.373 2.109 20 70 DEIDLO CO[C@H](C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000160001294 291661781 /nfs/dbraw/zinc/66/17/81/291661781.db2.gz MCHBPVSTPHKPFD-LLVKDONJSA-N 1 2 302.465 2.416 20 70 DEIDLO O=C(Nc1ccc(-n2cccn2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000159711361 197361911 /nfs/dbraw/zinc/36/19/11/197361911.db2.gz GESONKUCHYFQKR-ZDUSSCGKSA-N 1 2 307.357 2.270 20 70 DEIDLO Cc1nnc(C[NH+]2CCC(c3cnn(C)c3)CC2)n1C1CC1 ZINC000160450121 402346019 /nfs/dbraw/zinc/34/60/19/402346019.db2.gz WHNXVNKMUXORHZ-UHFFFAOYSA-N 1 2 300.410 2.035 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1csc(-c2ccco2)n1 ZINC000161201714 402377154 /nfs/dbraw/zinc/37/71/54/402377154.db2.gz KQPFFICOFYANDZ-UHFFFAOYSA-N 1 2 323.399 2.252 20 70 DEIDLO CN(C)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161205034 402377647 /nfs/dbraw/zinc/37/76/47/402377647.db2.gz ZTAUZDDVOQBFKC-OAHLLOKOSA-N 1 2 310.401 2.156 20 70 DEIDLO Cn1nncc1C[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161472062 402388761 /nfs/dbraw/zinc/38/87/61/402388761.db2.gz RFSWUVHIKTXXQW-UHFFFAOYSA-N 1 2 319.384 2.193 20 70 DEIDLO Cn1nncc1C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161472062 402388765 /nfs/dbraw/zinc/38/87/65/402388765.db2.gz RFSWUVHIKTXXQW-UHFFFAOYSA-N 1 2 319.384 2.193 20 70 DEIDLO O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)C1=CCCC1 ZINC000159721024 402328824 /nfs/dbraw/zinc/32/88/24/402328824.db2.gz DAAKFPDNFKSIOA-KRWDZBQOSA-N 1 2 300.402 2.286 20 70 DEIDLO CC(C)OCC[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159790815 402330934 /nfs/dbraw/zinc/33/09/34/402330934.db2.gz UTPAWRPEVHSCIB-UHFFFAOYSA-N 1 2 312.483 2.383 20 70 DEIDLO COCCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160123736 402336821 /nfs/dbraw/zinc/33/68/21/402336821.db2.gz TUXMJAGIFZQLQF-ZDUSSCGKSA-N 1 2 315.373 2.109 20 70 DEIDLO CCn1nccc1C[N@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000160233642 402338964 /nfs/dbraw/zinc/33/89/64/402338964.db2.gz PSVQSRDYYOPGTJ-UHFFFAOYSA-N 1 2 318.396 2.180 20 70 DEIDLO CCn1nccc1C[N@@H+](CC)CC(=O)NCc1ccc(F)cc1 ZINC000160233642 402338965 /nfs/dbraw/zinc/33/89/65/402338965.db2.gz PSVQSRDYYOPGTJ-UHFFFAOYSA-N 1 2 318.396 2.180 20 70 DEIDLO CC(C)[C@H](C)NC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465292 280215937 /nfs/dbraw/zinc/21/59/37/280215937.db2.gz UBXZIHDWNTXHFE-HNAYVOBHSA-N 1 2 316.445 2.321 20 70 DEIDLO CC(C)[C@H](C)NC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465292 280215939 /nfs/dbraw/zinc/21/59/39/280215939.db2.gz UBXZIHDWNTXHFE-HNAYVOBHSA-N 1 2 316.445 2.321 20 70 DEIDLO CCC(CC)CNC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160603215 521526906 /nfs/dbraw/zinc/52/69/06/521526906.db2.gz IHTQJMNJOPVLFX-UHFFFAOYSA-N 1 2 304.438 2.345 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000160640678 523831830 /nfs/dbraw/zinc/83/18/30/523831830.db2.gz WTLHELLWNBARNU-UHFFFAOYSA-N 1 2 315.373 2.495 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](CC)Cc2ccc3c(c2)OCO3)n1 ZINC000160640678 523831838 /nfs/dbraw/zinc/83/18/38/523831838.db2.gz WTLHELLWNBARNU-UHFFFAOYSA-N 1 2 315.373 2.495 20 70 DEIDLO Cc1ccccc1CN(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160046703 525120374 /nfs/dbraw/zinc/12/03/74/525120374.db2.gz NMUZTIQUQSDQPW-UHFFFAOYSA-N 1 2 322.474 2.019 20 70 DEIDLO COc1ccccc1SCC(=O)NCCCn1cc[nH+]c1 ZINC000161358343 291674429 /nfs/dbraw/zinc/67/44/29/291674429.db2.gz OVSFCMWRPQWHEU-UHFFFAOYSA-N 1 2 305.403 2.190 20 70 DEIDLO CCOC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000160226163 197393722 /nfs/dbraw/zinc/39/37/22/197393722.db2.gz FLDOACBWQBFTAT-UHFFFAOYSA-N 1 2 308.353 2.039 20 70 DEIDLO CCCCCS(=O)(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000217140648 402291519 /nfs/dbraw/zinc/29/15/19/402291519.db2.gz YQHMFDAGELMGIZ-UHFFFAOYSA-N 1 2 324.490 2.367 20 70 DEIDLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CCO[C@@H](C3CC3)C2)[nH+]1 ZINC000160406097 402344151 /nfs/dbraw/zinc/34/41/51/402344151.db2.gz ADAMCZIAXUTTKK-CHWSQXEVSA-N 1 2 305.426 2.431 20 70 DEIDLO CC(C)c1nc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000160406097 402344154 /nfs/dbraw/zinc/34/41/54/402344154.db2.gz ADAMCZIAXUTTKK-CHWSQXEVSA-N 1 2 305.426 2.431 20 70 DEIDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nncn2C)c(OC)c1 ZINC000160717404 402357807 /nfs/dbraw/zinc/35/78/07/402357807.db2.gz QMEYIXMRHJITGD-AWEZNQCLSA-N 1 2 302.378 2.169 20 70 DEIDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2nncn2C)c(OC)c1 ZINC000160717404 402357808 /nfs/dbraw/zinc/35/78/08/402357808.db2.gz QMEYIXMRHJITGD-AWEZNQCLSA-N 1 2 302.378 2.169 20 70 DEIDLO COc1ccc2c(c1)C[N@@H+](CCCS(=O)(=O)C(C)C)CC2 ZINC000161005843 402368777 /nfs/dbraw/zinc/36/87/77/402368777.db2.gz UAOXHQRWJWAYKE-UHFFFAOYSA-N 1 2 311.447 2.267 20 70 DEIDLO COc1ccc2c(c1)C[N@H+](CCCS(=O)(=O)C(C)C)CC2 ZINC000161005843 402368779 /nfs/dbraw/zinc/36/87/79/402368779.db2.gz UAOXHQRWJWAYKE-UHFFFAOYSA-N 1 2 311.447 2.267 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1F ZINC000161118423 402373596 /nfs/dbraw/zinc/37/35/96/402373596.db2.gz ZNYKFVXMIHEYMT-CYBMUJFWSA-N 1 2 318.396 2.086 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCc1ccccc1F ZINC000161118423 402373599 /nfs/dbraw/zinc/37/35/99/402373599.db2.gz ZNYKFVXMIHEYMT-CYBMUJFWSA-N 1 2 318.396 2.086 20 70 DEIDLO COC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160154127 402336534 /nfs/dbraw/zinc/33/65/34/402336534.db2.gz HTKBQGQKBQHLOA-GFCCVEGCSA-N 1 2 319.336 2.228 20 70 DEIDLO COC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160154127 402336538 /nfs/dbraw/zinc/33/65/38/402336538.db2.gz HTKBQGQKBQHLOA-GFCCVEGCSA-N 1 2 319.336 2.228 20 70 DEIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1C ZINC000160254878 520354803 /nfs/dbraw/zinc/35/48/03/520354803.db2.gz WUCQKMRWJDBGEM-UHFFFAOYSA-N 1 2 308.332 2.457 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1c[nH]nc1C ZINC000160254878 520354811 /nfs/dbraw/zinc/35/48/11/520354811.db2.gz WUCQKMRWJDBGEM-UHFFFAOYSA-N 1 2 308.332 2.457 20 70 DEIDLO CC[C@@H](C)OCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000161039630 522251337 /nfs/dbraw/zinc/25/13/37/522251337.db2.gz GOHUHAYDPVDLJN-OAHLLOKOSA-N 1 2 319.449 2.188 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(OC)cc2OC)n1 ZINC000160526314 523832040 /nfs/dbraw/zinc/83/20/40/523832040.db2.gz MIPAXLOHZFRRSD-UHFFFAOYSA-N 1 2 317.389 2.394 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(OC)cc2OC)n1 ZINC000160526314 523832053 /nfs/dbraw/zinc/83/20/53/523832053.db2.gz MIPAXLOHZFRRSD-UHFFFAOYSA-N 1 2 317.389 2.394 20 70 DEIDLO CC(C)OC1CCC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159453953 539581801 /nfs/dbraw/zinc/58/18/01/539581801.db2.gz AJTPKJRDOHWCQO-NFOMZHRRSA-N 1 2 305.422 2.298 20 70 DEIDLO CC(C)OC1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159453811 539582272 /nfs/dbraw/zinc/58/22/72/539582272.db2.gz AJTPKJRDOHWCQO-WLYUNCDWSA-N 1 2 305.422 2.298 20 70 DEIDLO COc1ccccc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159926305 291661250 /nfs/dbraw/zinc/66/12/50/291661250.db2.gz ZCXYNDNBRORVCQ-ZDUSSCGKSA-N 1 2 324.446 2.088 20 70 DEIDLO CCCC[C@@H](C(=O)OC)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161275464 291673956 /nfs/dbraw/zinc/67/39/56/291673956.db2.gz SJSUCCZEVQMHQW-RYUDHWBXSA-N 1 2 311.344 2.353 20 70 DEIDLO Cc1cccc(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000217413670 402292644 /nfs/dbraw/zinc/29/26/44/402292644.db2.gz LHZBEPRCHNRKDP-UHFFFAOYSA-N 1 2 324.428 2.464 20 70 DEIDLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(C)cs1 ZINC000161440959 402387464 /nfs/dbraw/zinc/38/74/64/402387464.db2.gz DFGOZKNQLIPKTR-NWDGAFQWSA-N 1 2 304.419 2.478 20 70 DEIDLO CN(C)C(=O)CN(Cc1c[nH+]c2ccccn12)c1ccccc1 ZINC000160911569 402365557 /nfs/dbraw/zinc/36/55/57/402365557.db2.gz LZQOIWBPLAANRR-UHFFFAOYSA-N 1 2 308.385 2.429 20 70 DEIDLO CCN(C(=O)[C@H](C)[N@H+](C)Cc1cnn(C)c1)C1CCCCC1 ZINC000161063733 402371429 /nfs/dbraw/zinc/37/14/29/402371429.db2.gz HZYLAZHMLGKVQK-AWEZNQCLSA-N 1 2 306.454 2.422 20 70 DEIDLO CCN(C(=O)[C@H](C)[N@@H+](C)Cc1cnn(C)c1)C1CCCCC1 ZINC000161063733 402371433 /nfs/dbraw/zinc/37/14/33/402371433.db2.gz HZYLAZHMLGKVQK-AWEZNQCLSA-N 1 2 306.454 2.422 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000161072359 402371590 /nfs/dbraw/zinc/37/15/90/402371590.db2.gz AEMWINMMSPUBRN-CQSZACIVSA-N 1 2 306.454 2.327 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)NCC1CCCCC1 ZINC000161072359 402371593 /nfs/dbraw/zinc/37/15/93/402371593.db2.gz AEMWINMMSPUBRN-CQSZACIVSA-N 1 2 306.454 2.327 20 70 DEIDLO CCc1nnc(C[NH+]2CCC(CCC(=O)N(CC)CC)CC2)[nH]1 ZINC000161234152 402378720 /nfs/dbraw/zinc/37/87/20/402378720.db2.gz MNQYZFFOTVMLTI-UHFFFAOYSA-N 1 2 321.469 2.228 20 70 DEIDLO CN(CCN(C)c1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161491853 402389013 /nfs/dbraw/zinc/38/90/13/402389013.db2.gz MHFSRJXZXGRZIW-OAHLLOKOSA-N 1 2 312.417 2.040 20 70 DEIDLO Cc1[nH+]c2ccccn2c1CN([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403176 527176870 /nfs/dbraw/zinc/17/68/70/527176870.db2.gz TZPBJKMKSFPWTQ-LBPRGKRZSA-N 1 2 321.446 2.040 20 70 DEIDLO Cc1nc2ccccn2c1C[N@@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403176 527176876 /nfs/dbraw/zinc/17/68/76/527176876.db2.gz TZPBJKMKSFPWTQ-LBPRGKRZSA-N 1 2 321.446 2.040 20 70 DEIDLO Cc1nc2ccccn2c1C[N@H+]([C@@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403176 527176879 /nfs/dbraw/zinc/17/68/79/527176879.db2.gz TZPBJKMKSFPWTQ-LBPRGKRZSA-N 1 2 321.446 2.040 20 70 DEIDLO Cc1nc(-c2cccc(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)c2)n[nH]1 ZINC000160145933 197389153 /nfs/dbraw/zinc/38/91/53/197389153.db2.gz XOTZTSMACKNSGI-CYBMUJFWSA-N 1 2 322.372 2.178 20 70 DEIDLO C[C@@H]1C[C@H]1c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000161006173 291671197 /nfs/dbraw/zinc/67/11/97/291671197.db2.gz XWMWCXOFZXTWFX-UNEWFSDZSA-N 1 2 318.417 2.226 20 70 DEIDLO COC(=O)c1cc(C[N@H+](C)C2(C(=O)OC)CCCC2)oc1C ZINC000159376581 197349120 /nfs/dbraw/zinc/34/91/20/197349120.db2.gz BQKZBWPLQXTEJI-UHFFFAOYSA-N 1 2 309.362 2.292 20 70 DEIDLO COC(=O)c1cc(C[N@@H+](C)C2(C(=O)OC)CCCC2)oc1C ZINC000159376581 197349123 /nfs/dbraw/zinc/34/91/23/197349123.db2.gz BQKZBWPLQXTEJI-UHFFFAOYSA-N 1 2 309.362 2.292 20 70 DEIDLO C[C@@H]1CCO[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000159441104 402323230 /nfs/dbraw/zinc/32/32/30/402323230.db2.gz SXASPMXUQICUNK-CJNGLKHVSA-N 1 2 322.836 2.409 20 70 DEIDLO Cc1cc(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)ncn1 ZINC000161417114 402387168 /nfs/dbraw/zinc/38/71/68/402387168.db2.gz HOODGHRBEXECCF-UHFFFAOYSA-N 1 2 321.384 2.002 20 70 DEIDLO CCOCCC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000160629403 402354541 /nfs/dbraw/zinc/35/45/41/402354541.db2.gz IVCVABPVSGYMEZ-UHFFFAOYSA-N 1 2 317.433 2.327 20 70 DEIDLO COc1cc(C[N@H+](C)CCCS(=O)(=O)C(C)C)ccc1O ZINC000160726632 402358485 /nfs/dbraw/zinc/35/84/85/402358485.db2.gz KKLNXBZITWNDTK-UHFFFAOYSA-N 1 2 315.435 2.046 20 70 DEIDLO COc1cc(C[N@@H+](C)CCCS(=O)(=O)C(C)C)ccc1O ZINC000160726632 402358487 /nfs/dbraw/zinc/35/84/87/402358487.db2.gz KKLNXBZITWNDTK-UHFFFAOYSA-N 1 2 315.435 2.046 20 70 DEIDLO C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1[nH+]ccn1C ZINC000160751567 402359469 /nfs/dbraw/zinc/35/94/69/402359469.db2.gz KUNBTYMQTCRMTR-GFCCVEGCSA-N 1 2 307.419 2.017 20 70 DEIDLO CC(C)(C)c1nc(NCCC(=O)NCc2ccccn2)cc[nH+]1 ZINC000161025177 402369887 /nfs/dbraw/zinc/36/98/87/402369887.db2.gz JWKDURYVJQVDJY-UHFFFAOYSA-N 1 2 313.405 2.288 20 70 DEIDLO CC[N@H+](CC(=O)Nc1cccc(C)c1C)Cc1cnn(C)c1 ZINC000161083971 402371940 /nfs/dbraw/zinc/37/19/40/402371940.db2.gz ZMMDRFLAPAQABA-UHFFFAOYSA-N 1 2 300.406 2.498 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1cccc(C)c1C)Cc1cnn(C)c1 ZINC000161083971 402371941 /nfs/dbraw/zinc/37/19/41/402371941.db2.gz ZMMDRFLAPAQABA-UHFFFAOYSA-N 1 2 300.406 2.498 20 70 DEIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000161155729 402375144 /nfs/dbraw/zinc/37/51/44/402375144.db2.gz ZQSFYTUFZUJBSJ-GOEBONIOSA-N 1 2 310.401 2.159 20 70 DEIDLO CCC(=O)N1CC[C@H](C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)C1 ZINC000161169592 402375672 /nfs/dbraw/zinc/37/56/72/402375672.db2.gz IKRVGWJHHZJPSF-ZDUSSCGKSA-N 1 2 312.373 2.274 20 70 DEIDLO CCCC[C@H](C(=O)OC)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161275819 402380163 /nfs/dbraw/zinc/38/01/63/402380163.db2.gz SJSUCCZEVQMHQW-VXGBXAGGSA-N 1 2 311.344 2.353 20 70 DEIDLO c1nn(-c2ccccc2)c2nc[nH+]c(N3CCOC[C@H]3C3CC3)c12 ZINC000159658602 402327901 /nfs/dbraw/zinc/32/79/01/402327901.db2.gz LEGYYVNQKYDICH-INIZCTEOSA-N 1 2 321.384 2.431 20 70 DEIDLO Cc1ccc(CNC(=O)[C@@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159963377 402334305 /nfs/dbraw/zinc/33/43/05/402334305.db2.gz DAWWEAYFIBWDNY-OAHLLOKOSA-N 1 2 322.474 2.065 20 70 DEIDLO CCS(=O)(=O)C[C@H](C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159668280 186133992 /nfs/dbraw/zinc/13/39/92/186133992.db2.gz XNCMEFJSXZUJMU-AWEZNQCLSA-N 1 2 311.447 2.323 20 70 DEIDLO CCS(=O)(=O)C[C@H](C)[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159668280 186133993 /nfs/dbraw/zinc/13/39/93/186133993.db2.gz XNCMEFJSXZUJMU-AWEZNQCLSA-N 1 2 311.447 2.323 20 70 DEIDLO CNC(=O)c1ccc(C[NH2+]C2(c3noc(C)n3)CCCC2)cc1 ZINC000161379084 355968468 /nfs/dbraw/zinc/96/84/68/355968468.db2.gz FXZUMFZZTPNKRS-UHFFFAOYSA-N 1 2 314.389 2.297 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)nc1 ZINC000161441457 197495411 /nfs/dbraw/zinc/49/54/11/197495411.db2.gz ADLJCKMBHRWOES-GFCCVEGCSA-N 1 2 302.765 2.139 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1csc(C2CC2)n1 ZINC000161429983 402387139 /nfs/dbraw/zinc/38/71/39/402387139.db2.gz ALZXPTSVVZYQBB-GFCCVEGCSA-N 1 2 314.414 2.424 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccc(OC)cc2)n1 ZINC000160554720 402350573 /nfs/dbraw/zinc/35/05/73/402350573.db2.gz SZMIYCIGXXIWSG-UHFFFAOYSA-N 1 2 317.389 2.264 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOc2ccc(OC)cc2)n1 ZINC000160554720 402350576 /nfs/dbraw/zinc/35/05/76/402350576.db2.gz SZMIYCIGXXIWSG-UHFFFAOYSA-N 1 2 317.389 2.264 20 70 DEIDLO CN(C)c1cccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161441904 402387518 /nfs/dbraw/zinc/38/75/18/402387518.db2.gz KLXCGMYKFDZILA-OAHLLOKOSA-N 1 2 310.401 2.156 20 70 DEIDLO Cn1cnnc1C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000160860682 402363152 /nfs/dbraw/zinc/36/31/52/402363152.db2.gz GNRQAGYAFZBIMM-UHFFFAOYSA-N 1 2 300.406 2.039 20 70 DEIDLO C[C@@H]1CCCC[C@H]1N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160024102 402334892 /nfs/dbraw/zinc/33/48/92/402334892.db2.gz QQUUMCXMQQAEFE-HUUCEWRRSA-N 1 2 314.495 2.089 20 70 DEIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NCCSCCCO)c1 ZINC000161505978 402390012 /nfs/dbraw/zinc/39/00/12/402390012.db2.gz AYHMSLYKQBWPMP-UHFFFAOYSA-N 1 2 319.430 2.026 20 70 DEIDLO CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159619168 521810793 /nfs/dbraw/zinc/81/07/93/521810793.db2.gz KXGPDXBPLFGDIY-LSDHHAIUSA-N 1 2 304.438 2.343 20 70 DEIDLO CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159619452 521926851 /nfs/dbraw/zinc/92/68/51/521926851.db2.gz KXGPDXBPLFGDIY-GJZGRUSLSA-N 1 2 304.438 2.343 20 70 DEIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553208 186127003 /nfs/dbraw/zinc/12/70/03/186127003.db2.gz VWYLEAGTJJYBFF-CJNGLKHVSA-N 1 2 315.417 2.303 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000160158613 197389676 /nfs/dbraw/zinc/38/96/76/197389676.db2.gz QIDXFOABLYWUHQ-CVEARBPZSA-N 1 2 300.402 2.311 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)cc1 ZINC000160158613 197389677 /nfs/dbraw/zinc/38/96/77/197389677.db2.gz QIDXFOABLYWUHQ-CVEARBPZSA-N 1 2 300.402 2.311 20 70 DEIDLO CCC[C@@H](CC)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159796037 197365784 /nfs/dbraw/zinc/36/57/84/197365784.db2.gz PXYJPPNTUIGYDN-OAHLLOKOSA-N 1 2 304.438 2.488 20 70 DEIDLO CCC[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000159464728 402324026 /nfs/dbraw/zinc/32/40/26/402324026.db2.gz GRPPLGRHPMSFHF-OAHLLOKOSA-N 1 2 316.405 2.087 20 70 DEIDLO C[C@H](Cc1ccccc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160358467 402341941 /nfs/dbraw/zinc/34/19/41/402341941.db2.gz XCSBHWCHHHTDEB-OCCSQVGLSA-N 1 2 301.365 2.332 20 70 DEIDLO C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1[nH+]ccn1C ZINC000160751454 402359145 /nfs/dbraw/zinc/35/91/45/402359145.db2.gz KUNBTYMQTCRMTR-LBPRGKRZSA-N 1 2 307.419 2.017 20 70 DEIDLO CCn1cc[nH+]c1CN1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000160847575 402362827 /nfs/dbraw/zinc/36/28/27/402362827.db2.gz DLYAJDKZGLWVKK-UHFFFAOYSA-N 1 2 316.405 2.071 20 70 DEIDLO CCC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161118514 402373451 /nfs/dbraw/zinc/37/34/51/402373451.db2.gz OCIOBHXVCAGZHY-AWEZNQCLSA-N 1 2 313.467 2.037 20 70 DEIDLO CCC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000161118514 402373453 /nfs/dbraw/zinc/37/34/53/402373453.db2.gz OCIOBHXVCAGZHY-AWEZNQCLSA-N 1 2 313.467 2.037 20 70 DEIDLO CCc1ccc(CNC(=O)C[N@@H+](CC)Cc2cnn(C)c2)s1 ZINC000161131161 402374075 /nfs/dbraw/zinc/37/40/75/402374075.db2.gz JXZFRZURUXJZMQ-UHFFFAOYSA-N 1 2 320.462 2.182 20 70 DEIDLO CCc1ccc(CNC(=O)C[N@H+](CC)Cc2cnn(C)c2)s1 ZINC000161131161 402374076 /nfs/dbraw/zinc/37/40/76/402374076.db2.gz JXZFRZURUXJZMQ-UHFFFAOYSA-N 1 2 320.462 2.182 20 70 DEIDLO CCS(=O)(=O)C[C@@H](C)[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159668166 521647124 /nfs/dbraw/zinc/64/71/24/521647124.db2.gz XNCMEFJSXZUJMU-CQSZACIVSA-N 1 2 311.447 2.323 20 70 DEIDLO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000159668166 521647129 /nfs/dbraw/zinc/64/71/29/521647129.db2.gz XNCMEFJSXZUJMU-CQSZACIVSA-N 1 2 311.447 2.323 20 70 DEIDLO CC[C@H](C)OCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000161039768 521752705 /nfs/dbraw/zinc/75/27/05/521752705.db2.gz GOHUHAYDPVDLJN-HNNXBMFYSA-N 1 2 319.449 2.188 20 70 DEIDLO C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000159664481 524700237 /nfs/dbraw/zinc/70/02/37/524700237.db2.gz ADVBXLCMFGWUFV-GOEBONIOSA-N 1 2 324.428 2.013 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)Cc1ccccc1 ZINC000160042480 525976893 /nfs/dbraw/zinc/97/68/93/525976893.db2.gz RANVNOLEJHDJJV-HNNXBMFYSA-N 1 2 322.474 2.099 20 70 DEIDLO CCN(C(=O)CSCC[NH+]1CCOCC1)C1CCCCC1 ZINC000160046254 291661891 /nfs/dbraw/zinc/66/18/91/291661891.db2.gz FTDKFCVLKOUXAF-UHFFFAOYSA-N 1 2 314.495 2.233 20 70 DEIDLO COC(=O)c1csc(NC(=O)N(C)CCCn2cc[nH+]c2)c1 ZINC000161040154 291671827 /nfs/dbraw/zinc/67/18/27/291671827.db2.gz UPOCDZBRMCWAGS-UHFFFAOYSA-N 1 2 322.390 2.285 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)CCCC1 ZINC000159439593 402323276 /nfs/dbraw/zinc/32/32/76/402323276.db2.gz OUBUGXRBPVFYSA-ZIAGYGMSSA-N 1 2 310.438 2.099 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@H]2C)CCCC1 ZINC000159439593 402323278 /nfs/dbraw/zinc/32/32/78/402323278.db2.gz OUBUGXRBPVFYSA-ZIAGYGMSSA-N 1 2 310.438 2.099 20 70 DEIDLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(C)cs1 ZINC000161440708 402387683 /nfs/dbraw/zinc/38/76/83/402387683.db2.gz DFGOZKNQLIPKTR-VXGBXAGGSA-N 1 2 304.419 2.478 20 70 DEIDLO CC(=O)c1csc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161392610 402385745 /nfs/dbraw/zinc/38/57/45/402385745.db2.gz SRKKEFRQJMQOQJ-CYBMUJFWSA-N 1 2 315.398 2.354 20 70 DEIDLO CC[C@H]1CCCCN1C(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159763996 402330154 /nfs/dbraw/zinc/33/01/54/402330154.db2.gz IAQYHVFWTLIYGR-CABCVRRESA-N 1 2 314.495 2.231 20 70 DEIDLO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cn1 ZINC000159847561 402331988 /nfs/dbraw/zinc/33/19/88/402331988.db2.gz FHIXOHLNPBQOTE-IAQYHMDHSA-N 1 2 304.369 2.480 20 70 DEIDLO CC(C)n1cc([C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cn1 ZINC000159847275 402332210 /nfs/dbraw/zinc/33/22/10/402332210.db2.gz FHIXOHLNPBQOTE-ABAIWWIYSA-N 1 2 304.369 2.480 20 70 DEIDLO Cc1ccc(CNC(=O)[C@H](C)SCC[NH+]2CCOCC2)cc1 ZINC000159963511 402334157 /nfs/dbraw/zinc/33/41/57/402334157.db2.gz DAWWEAYFIBWDNY-HNNXBMFYSA-N 1 2 322.474 2.065 20 70 DEIDLO CC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000160120708 520714556 /nfs/dbraw/zinc/71/45/56/520714556.db2.gz NMEWDJSBFULUTP-UHFFFAOYSA-N 1 2 316.449 2.489 20 70 DEIDLO CC[N@H+](Cc1c(C)nc2ccccn21)[C@@H](C)CS(=O)(=O)CC ZINC000160396906 521275115 /nfs/dbraw/zinc/27/51/15/521275115.db2.gz NVQMFWCBVYZZKV-ZDUSSCGKSA-N 1 2 323.462 2.288 20 70 DEIDLO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@@H](C)CS(=O)(=O)CC ZINC000160396906 521275128 /nfs/dbraw/zinc/27/51/28/521275128.db2.gz NVQMFWCBVYZZKV-ZDUSSCGKSA-N 1 2 323.462 2.288 20 70 DEIDLO CCN(Cc1c(C)[nH+]c2ccccn21)[C@@H](C)CS(=O)(=O)CC ZINC000160396906 521275136 /nfs/dbraw/zinc/27/51/36/521275136.db2.gz NVQMFWCBVYZZKV-ZDUSSCGKSA-N 1 2 323.462 2.288 20 70 DEIDLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](c2ccsc2)O1 ZINC000160188317 524813560 /nfs/dbraw/zinc/81/35/60/524813560.db2.gz MTPCPIGTNXNZFD-TZMCWYRMSA-N 1 2 320.418 2.116 20 70 DEIDLO Cc1cc(NCCCNC(=O)C(C)C)nc(-c2ccncc2)[nH+]1 ZINC000161435379 291675119 /nfs/dbraw/zinc/67/51/19/291675119.db2.gz TYGRWGAYTLDPDE-UHFFFAOYSA-N 1 2 313.405 2.421 20 70 DEIDLO C[C@@H]1[C@H](C)OCCN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159368065 197348744 /nfs/dbraw/zinc/34/87/44/197348744.db2.gz AJDLFAAYVWUKNO-KGLIPLIRSA-N 1 2 318.421 2.001 20 70 DEIDLO O=C1C[N@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCN1 ZINC000160511688 402348668 /nfs/dbraw/zinc/34/86/68/402348668.db2.gz RHRRFRYCBVGAHN-UHFFFAOYSA-N 1 2 314.360 2.337 20 70 DEIDLO O=C1C[N@@H+](Cc2cccc(OCc3ccc(F)cc3)c2)CCN1 ZINC000160511688 402348672 /nfs/dbraw/zinc/34/86/72/402348672.db2.gz RHRRFRYCBVGAHN-UHFFFAOYSA-N 1 2 314.360 2.337 20 70 DEIDLO O=C(NCCn1cc[nH+]c1)NCC1C2CC3CC(C2)CC1C3 ZINC000160744985 402359042 /nfs/dbraw/zinc/35/90/42/402359042.db2.gz XPUZGOQPEFPCMM-UHFFFAOYSA-N 1 2 302.422 2.255 20 70 DEIDLO COc1ccc(C[N@H+](C)Cc2cnc3cnccn23)c(OC)c1 ZINC000160830440 402361935 /nfs/dbraw/zinc/36/19/35/402361935.db2.gz YALZVVVGYCGAPQ-UHFFFAOYSA-N 1 2 312.373 2.379 20 70 DEIDLO COc1ccc(C[N@@H+](C)Cc2cnc3cnccn23)c(OC)c1 ZINC000160830440 402361937 /nfs/dbraw/zinc/36/19/37/402361937.db2.gz YALZVVVGYCGAPQ-UHFFFAOYSA-N 1 2 312.373 2.379 20 70 DEIDLO Cn1cnnc1CSc1[nH+]cnc2c1cnn2-c1ccccc1 ZINC000160928736 402365839 /nfs/dbraw/zinc/36/58/39/402365839.db2.gz RCELYQCXXIUNBY-UHFFFAOYSA-N 1 2 323.385 2.236 20 70 DEIDLO CC[N@H+](Cc1c(C)n[nH]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877263 402332396 /nfs/dbraw/zinc/33/23/96/402332396.db2.gz NYKDXDBVTXSBSB-UHFFFAOYSA-N 1 2 311.389 2.285 20 70 DEIDLO CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877263 402332398 /nfs/dbraw/zinc/33/23/98/402332398.db2.gz NYKDXDBVTXSBSB-UHFFFAOYSA-N 1 2 311.389 2.285 20 70 DEIDLO CCn1cc(C[N@H+](CC)CC(=O)Nc2cccc(OC)c2)cn1 ZINC000160644104 520364893 /nfs/dbraw/zinc/36/48/93/520364893.db2.gz CZSRGKXNPKIIFW-UHFFFAOYSA-N 1 2 316.405 2.372 20 70 DEIDLO CCn1cc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)cn1 ZINC000160644104 520364900 /nfs/dbraw/zinc/36/49/00/520364900.db2.gz CZSRGKXNPKIIFW-UHFFFAOYSA-N 1 2 316.405 2.372 20 70 DEIDLO CCc1cc(NCC(C)(C)C(=O)NC)nc(-c2ccncc2)[nH+]1 ZINC000161089532 523821940 /nfs/dbraw/zinc/82/19/40/523821940.db2.gz IEZIQMKAGLDUME-UHFFFAOYSA-N 1 2 313.405 2.285 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)n1 ZINC000160784755 523831263 /nfs/dbraw/zinc/83/12/63/523831263.db2.gz QRZKADLYYRLVLK-UHFFFAOYSA-N 1 2 315.373 2.163 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)n1 ZINC000160784755 523831267 /nfs/dbraw/zinc/83/12/67/523831267.db2.gz QRZKADLYYRLVLK-UHFFFAOYSA-N 1 2 315.373 2.163 20 70 DEIDLO O=C(CCc1ccccc1O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161413882 526615794 /nfs/dbraw/zinc/61/57/94/526615794.db2.gz LZIUKASTOFKGOI-OAHLLOKOSA-N 1 2 311.385 2.115 20 70 DEIDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000160319139 197399807 /nfs/dbraw/zinc/39/98/07/197399807.db2.gz OAPQKVUZSMCRMS-GJZGRUSLSA-N 1 2 317.364 2.334 20 70 DEIDLO C[C@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160079204 197384337 /nfs/dbraw/zinc/38/43/37/197384337.db2.gz MHZXFNJKYWRVQX-HOCLYGCPSA-N 1 2 302.422 2.097 20 70 DEIDLO Cc1ccc(N2CC[C@@H](SCC[NH+]3CCOCC3)C2=O)cc1 ZINC000159999943 197378926 /nfs/dbraw/zinc/37/89/26/197378926.db2.gz SZRQFRQMLUKVNC-MRXNPFEDSA-N 1 2 320.458 2.166 20 70 DEIDLO COC(=O)c1sccc1CSCC[NH+]1CCOCC1 ZINC000159766490 197362228 /nfs/dbraw/zinc/36/22/28/197362228.db2.gz MVCKZFAHPWLSQT-UHFFFAOYSA-N 1 2 301.433 2.100 20 70 DEIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1CCOC2(CCCC2)C1 ZINC000159429603 197352960 /nfs/dbraw/zinc/35/29/60/197352960.db2.gz JWLLXNLPOABDLQ-AWEZNQCLSA-N 1 2 313.401 2.485 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CCCC1 ZINC000159439723 402323402 /nfs/dbraw/zinc/32/34/02/402323402.db2.gz OUBUGXRBPVFYSA-UONOGXRCSA-N 1 2 310.438 2.099 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C)CCCC1 ZINC000159439723 402323403 /nfs/dbraw/zinc/32/34/03/402323403.db2.gz OUBUGXRBPVFYSA-UONOGXRCSA-N 1 2 310.438 2.099 20 70 DEIDLO CCC[C@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1 ZINC000159464849 402324013 /nfs/dbraw/zinc/32/40/13/402324013.db2.gz GRPPLGRHPMSFHF-HNNXBMFYSA-N 1 2 316.405 2.087 20 70 DEIDLO Cc1[nH+]c2ccccn2c1CN1CCNC(=O)[C@@H]1c1ccccc1 ZINC000160537290 402350123 /nfs/dbraw/zinc/35/01/23/402350123.db2.gz UDDSDPUGOQYURL-SFHVURJKSA-N 1 2 320.396 2.316 20 70 DEIDLO CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cnn(C)c1 ZINC000161080387 402371978 /nfs/dbraw/zinc/37/19/78/402371978.db2.gz GORUYAUPMADKMF-CQSZACIVSA-N 1 2 300.406 2.119 20 70 DEIDLO CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1cnn(C)c1 ZINC000161080387 402371980 /nfs/dbraw/zinc/37/19/80/402371980.db2.gz GORUYAUPMADKMF-CQSZACIVSA-N 1 2 300.406 2.119 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161121883 402374181 /nfs/dbraw/zinc/37/41/81/402374181.db2.gz FDQLPVJLFVZLFC-LLVKDONJSA-N 1 2 321.450 2.343 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000161121883 402374182 /nfs/dbraw/zinc/37/41/82/402374182.db2.gz FDQLPVJLFVZLFC-LLVKDONJSA-N 1 2 321.450 2.343 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc2ccccn2c1 ZINC000161286758 402380927 /nfs/dbraw/zinc/38/09/27/402380927.db2.gz IDZQSUSOHUSKCP-OAHLLOKOSA-N 1 2 306.369 2.343 20 70 DEIDLO COCCc1noc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159723876 402329059 /nfs/dbraw/zinc/32/90/59/402329059.db2.gz RFDNHDIOIIYEQA-CQSZACIVSA-N 1 2 302.378 2.299 20 70 DEIDLO COCCc1noc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)n1 ZINC000159723876 402329063 /nfs/dbraw/zinc/32/90/63/402329063.db2.gz RFDNHDIOIIYEQA-CQSZACIVSA-N 1 2 302.378 2.299 20 70 DEIDLO CC[NH+]1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000161399765 402386299 /nfs/dbraw/zinc/38/62/99/402386299.db2.gz TZVAUFJIGKOJFB-UHFFFAOYSA-N 1 2 300.761 2.399 20 70 DEIDLO CN(Cc1[nH+]ccn1C)C(=O)c1csc([C@H]2CCCO2)n1 ZINC000160091584 523593400 /nfs/dbraw/zinc/59/34/00/523593400.db2.gz CZGRZBNWIFVELJ-LLVKDONJSA-N 1 2 306.391 2.000 20 70 DEIDLO C[C@@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H](c2ccsc2)O1 ZINC000160188584 524814161 /nfs/dbraw/zinc/81/41/61/524814161.db2.gz MTPCPIGTNXNZFD-OCCSQVGLSA-N 1 2 320.418 2.116 20 70 DEIDLO CCc1nnc(C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)[nH]1 ZINC000160313761 402340524 /nfs/dbraw/zinc/34/05/24/402340524.db2.gz CYIMKERSJCELJO-SNVBAGLBSA-N 1 2 320.393 2.244 20 70 DEIDLO C[C@@H](Cc1ccccc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160358316 402342305 /nfs/dbraw/zinc/34/23/05/402342305.db2.gz XCSBHWCHHHTDEB-JSGCOSHPSA-N 1 2 301.365 2.332 20 70 DEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3ccc(F)cc3)CC2)n1 ZINC000160486806 402347722 /nfs/dbraw/zinc/34/77/22/402347722.db2.gz CWQLGIIZLTVDIT-UHFFFAOYSA-N 1 2 316.380 2.206 20 70 DEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3ccccc3C)CC2)n1 ZINC000160544722 402350899 /nfs/dbraw/zinc/35/08/99/402350899.db2.gz LBLBLEDYVWUSMB-UHFFFAOYSA-N 1 2 312.417 2.375 20 70 DEIDLO CC(C)S(=O)(=O)CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000160563176 402351444 /nfs/dbraw/zinc/35/14/44/402351444.db2.gz NJRYHQZTLKQLBO-UHFFFAOYSA-N 1 2 313.419 2.060 20 70 DEIDLO CC(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000160563176 402351445 /nfs/dbraw/zinc/35/14/45/402351445.db2.gz NJRYHQZTLKQLBO-UHFFFAOYSA-N 1 2 313.419 2.060 20 70 DEIDLO CC(C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160900693 402364938 /nfs/dbraw/zinc/36/49/38/402364938.db2.gz RJXBBJYJGZUKNQ-OAHLLOKOSA-N 1 2 304.438 2.343 20 70 DEIDLO COCCC1(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000161021328 402369155 /nfs/dbraw/zinc/36/91/55/402369155.db2.gz JYDBLSMEDNGKHM-GJZGRUSLSA-N 1 2 320.437 2.292 20 70 DEIDLO CCC1(CNC(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161112011 402373162 /nfs/dbraw/zinc/37/31/62/402373162.db2.gz JKKRSKWBGHVHRU-GJZGRUSLSA-N 1 2 311.470 2.365 20 70 DEIDLO CCC[N@H+](Cc1cnc(C2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161113730 402373394 /nfs/dbraw/zinc/37/33/94/402373394.db2.gz VGMFNESVWRMFLK-LBPRGKRZSA-N 1 2 314.476 2.420 20 70 DEIDLO CCC[N@@H+](Cc1cnc(C2CC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161113730 402373396 /nfs/dbraw/zinc/37/33/96/402373396.db2.gz VGMFNESVWRMFLK-LBPRGKRZSA-N 1 2 314.476 2.420 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1F ZINC000161118294 402373506 /nfs/dbraw/zinc/37/35/06/402373506.db2.gz ZNYKFVXMIHEYMT-ZDUSSCGKSA-N 1 2 318.396 2.086 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1F ZINC000161118294 402373509 /nfs/dbraw/zinc/37/35/09/402373509.db2.gz ZNYKFVXMIHEYMT-ZDUSSCGKSA-N 1 2 318.396 2.086 20 70 DEIDLO CCCN(Cc1c[nH+]c2ccc(C)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161122026 402373996 /nfs/dbraw/zinc/37/39/96/402373996.db2.gz JKVKTVXKGFHYMU-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@H+](Cc1cnc2ccc(C)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161122026 402373998 /nfs/dbraw/zinc/37/39/98/402373998.db2.gz JKVKTVXKGFHYMU-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@@H+](Cc1cnc2ccc(C)cn12)[C@@H]1CCS(=O)(=O)C1 ZINC000161122026 402373999 /nfs/dbraw/zinc/37/39/99/402373999.db2.gz JKVKTVXKGFHYMU-CQSZACIVSA-N 1 2 321.446 2.042 20 70 DEIDLO CCc1nnc([C@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)o1 ZINC000161210908 402377532 /nfs/dbraw/zinc/37/75/32/402377532.db2.gz LKZURJCEUUMNHW-KWQFWETISA-N 1 2 307.316 2.328 20 70 DEIDLO CCC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160609402 521705884 /nfs/dbraw/zinc/70/58/84/521705884.db2.gz GUDIVXBJLANOJB-UHFFFAOYSA-N 1 2 302.422 2.099 20 70 DEIDLO CCc1cccc(NC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000160041711 521754882 /nfs/dbraw/zinc/75/48/82/521754882.db2.gz QTWQPBAZCZYTHU-UHFFFAOYSA-N 1 2 308.447 2.253 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)NCc2ccc(C)cc2)CCCC1 ZINC000159439858 522836316 /nfs/dbraw/zinc/83/63/16/522836316.db2.gz DMDLIIBXLHZWGA-UHFFFAOYSA-N 1 2 318.417 2.029 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)NCc2ccc(C)cc2)CCCC1 ZINC000159439858 522836328 /nfs/dbraw/zinc/83/63/28/522836328.db2.gz DMDLIIBXLHZWGA-UHFFFAOYSA-N 1 2 318.417 2.029 20 70 DEIDLO Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1cnc2cnccn12 ZINC000160922953 524274313 /nfs/dbraw/zinc/27/43/13/524274313.db2.gz KHXWRJLHKYGZIT-UHFFFAOYSA-N 1 2 323.400 2.417 20 70 DEIDLO Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1cnc2cnccn12 ZINC000160922953 524274321 /nfs/dbraw/zinc/27/43/21/524274321.db2.gz KHXWRJLHKYGZIT-UHFFFAOYSA-N 1 2 323.400 2.417 20 70 DEIDLO COc1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000159726701 186138085 /nfs/dbraw/zinc/13/80/85/186138085.db2.gz OYISZERDQAXADF-CQSZACIVSA-N 1 2 312.373 2.491 20 70 DEIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159754091 186140034 /nfs/dbraw/zinc/14/00/34/186140034.db2.gz LXQMKFRYYSZYJR-CZUORRHYSA-N 1 2 315.417 2.303 20 70 DEIDLO CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159910331 355962962 /nfs/dbraw/zinc/96/29/62/355962962.db2.gz ATEPQMOANITKFZ-FUHWJXTLSA-N 1 2 318.461 2.338 20 70 DEIDLO Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]1CCCCO1)c1cccc(F)c1 ZINC000160319000 197399830 /nfs/dbraw/zinc/39/98/30/197399830.db2.gz OAPQKVUZSMCRMS-LSDHHAIUSA-N 1 2 317.364 2.334 20 70 DEIDLO CCCC[C@@H](C(=O)OC)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161275691 291673883 /nfs/dbraw/zinc/67/38/83/291673883.db2.gz SJSUCCZEVQMHQW-NWDGAFQWSA-N 1 2 311.344 2.353 20 70 DEIDLO Cc1cc(N)nc(S[C@H]2CCCN(CC(F)(F)F)C2=O)[nH+]1 ZINC000159422686 402323351 /nfs/dbraw/zinc/32/33/51/402323351.db2.gz TUDRUXWPGJZEBX-QMMMGPOBSA-N 1 2 320.340 2.013 20 70 DEIDLO CCOC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000217183600 402291428 /nfs/dbraw/zinc/29/14/28/402291428.db2.gz BAHHKOVOSFIVRZ-SWLSCSKDSA-N 1 2 317.788 2.250 20 70 DEIDLO CCOC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000217183600 402291429 /nfs/dbraw/zinc/29/14/29/402291429.db2.gz BAHHKOVOSFIVRZ-SWLSCSKDSA-N 1 2 317.788 2.250 20 70 DEIDLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000159522504 402324931 /nfs/dbraw/zinc/32/49/31/402324931.db2.gz LOCLAESIGPCXQZ-ZHALLVOQSA-N 1 2 316.445 2.440 20 70 DEIDLO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000159522504 402324934 /nfs/dbraw/zinc/32/49/34/402324934.db2.gz LOCLAESIGPCXQZ-ZHALLVOQSA-N 1 2 316.445 2.440 20 70 DEIDLO C[C@@H](C(=O)NCCc1cn2ccccc2[nH+]1)C1CCOCC1 ZINC000161436637 402387651 /nfs/dbraw/zinc/38/76/51/402387651.db2.gz MDQBFRGIWCIMRZ-CYBMUJFWSA-N 1 2 301.390 2.056 20 70 DEIDLO C[C@@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160757467 402359672 /nfs/dbraw/zinc/35/96/72/402359672.db2.gz JAVJDPZEFUSIHE-GDBMZVCRSA-N 1 2 324.428 2.013 20 70 DEIDLO CC[C@](C)(NC(=O)N[C@H](C)Cn1cc[nH+]c1)c1nccs1 ZINC000160795750 402360547 /nfs/dbraw/zinc/36/05/47/402360547.db2.gz QVFWORCQWSYNHV-RISCZKNCSA-N 1 2 307.423 2.353 20 70 DEIDLO CCCn1c(C)nnc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000160905425 402364816 /nfs/dbraw/zinc/36/48/16/402364816.db2.gz RVMIWXLBNQSYHC-MRXNPFEDSA-N 1 2 322.453 2.157 20 70 DEIDLO C[C@@H](N1CCN(Cc2c[nH+]c3ccccn23)CC1)C(F)(F)F ZINC000160963471 402367243 /nfs/dbraw/zinc/36/72/43/402367243.db2.gz ZPIPOHSEFGYUSJ-GFCCVEGCSA-N 1 2 312.339 2.403 20 70 DEIDLO C[N@@H+]1CCO[C@@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000161143791 402374795 /nfs/dbraw/zinc/37/47/95/402374795.db2.gz SUAMRSUWKUCGQP-OAHLLOKOSA-N 1 2 324.371 2.181 20 70 DEIDLO C[N@H+]1CCO[C@@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000161143791 402374796 /nfs/dbraw/zinc/37/47/96/402374796.db2.gz SUAMRSUWKUCGQP-OAHLLOKOSA-N 1 2 324.371 2.181 20 70 DEIDLO Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000161341683 402383385 /nfs/dbraw/zinc/38/33/85/402383385.db2.gz KFYJBZZWTHBSGD-UHFFFAOYSA-N 1 2 318.808 2.032 20 70 DEIDLO O=C(C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159674987 402328570 /nfs/dbraw/zinc/32/85/70/402328570.db2.gz ULLBJLQKHBXQER-LJQANCHMSA-N 1 2 314.429 2.173 20 70 DEIDLO O=C(C[N@H+]1CCO[C@]2(CCc3ccccc32)C1)N1CCCCC1 ZINC000159674987 402328573 /nfs/dbraw/zinc/32/85/73/402328573.db2.gz ULLBJLQKHBXQER-LJQANCHMSA-N 1 2 314.429 2.173 20 70 DEIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ccnc(C(N)=O)c1 ZINC000159705576 402329187 /nfs/dbraw/zinc/32/91/87/402329187.db2.gz VWBUBSQQJOMCBB-UHFFFAOYSA-N 1 2 321.384 2.062 20 70 DEIDLO C[C@H](CNC(=O)CC/C=C/c1ccccc1)[NH+]1CCN(C)CC1 ZINC000160151434 524374798 /nfs/dbraw/zinc/37/47/98/524374798.db2.gz WMMIRQFGTBUONE-DKISHCGFSA-N 1 2 315.461 2.232 20 70 DEIDLO CSCCCCC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159386482 525397635 /nfs/dbraw/zinc/39/76/35/525397635.db2.gz UVEKHUWTIJVBOX-UHFFFAOYSA-N 1 2 307.463 2.259 20 70 DEIDLO CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000159910751 355963294 /nfs/dbraw/zinc/96/32/94/355963294.db2.gz ATEPQMOANITKFZ-AEFFLSMTSA-N 1 2 318.461 2.338 20 70 DEIDLO COCCN(Cc1ccc(C)o1)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160264566 197396369 /nfs/dbraw/zinc/39/63/69/197396369.db2.gz IDWDBABLUBCRLL-CYBMUJFWSA-N 1 2 320.393 2.031 20 70 DEIDLO CCc1nnc([C@@H](C)[NH+]2CCC([C@H](O)C(F)(F)F)CC2)o1 ZINC000161210773 291673297 /nfs/dbraw/zinc/67/32/97/291673297.db2.gz LKZURJCEUUMNHW-KCJUWKMLSA-N 1 2 307.316 2.328 20 70 DEIDLO CC(C)c1nc(N(C)CCC(=O)OC(C)(C)C)nc(N(C)C)[nH+]1 ZINC000160490226 402347663 /nfs/dbraw/zinc/34/76/63/402347663.db2.gz IKJCRJGOHLVYGW-UHFFFAOYSA-N 1 2 323.441 2.229 20 70 DEIDLO CN(CC[N@H+](C)Cn1cc(Cl)cn1)C(=O)OC(C)(C)C ZINC000160528862 402349155 /nfs/dbraw/zinc/34/91/55/402349155.db2.gz SLTLRJIUWFKRPT-UHFFFAOYSA-N 1 2 302.806 2.293 20 70 DEIDLO CN(CC[N@@H+](C)Cn1cc(Cl)cn1)C(=O)OC(C)(C)C ZINC000160528862 402349158 /nfs/dbraw/zinc/34/91/58/402349158.db2.gz SLTLRJIUWFKRPT-UHFFFAOYSA-N 1 2 302.806 2.293 20 70 DEIDLO Cc1nc(N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)c(C)[nH+]1 ZINC000160603071 402352955 /nfs/dbraw/zinc/35/29/55/402352955.db2.gz FEWLXJXJHGUUIE-UHFFFAOYSA-N 1 2 315.402 2.336 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)Cc2ccc(O)c(OC)c2)n1 ZINC000160726901 402358511 /nfs/dbraw/zinc/35/85/11/402358511.db2.gz LNRWCLRYZZSVMH-UHFFFAOYSA-N 1 2 303.362 2.091 20 70 DEIDLO CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1cnn(C)c1 ZINC000161127374 402374151 /nfs/dbraw/zinc/37/41/51/402374151.db2.gz WKAHZXXIWUXAEN-UHFFFAOYSA-N 1 2 304.438 2.176 20 70 DEIDLO CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)Cc1cnn(C)c1 ZINC000161127374 402374153 /nfs/dbraw/zinc/37/41/53/402374153.db2.gz WKAHZXXIWUXAEN-UHFFFAOYSA-N 1 2 304.438 2.176 20 70 DEIDLO C[N@@H+]1CCO[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000161143659 402374686 /nfs/dbraw/zinc/37/46/86/402374686.db2.gz SUAMRSUWKUCGQP-HNNXBMFYSA-N 1 2 324.371 2.181 20 70 DEIDLO C[N@H+]1CCO[C@H](C(=O)NC2(c3ccc(F)cc3F)CCCC2)C1 ZINC000161143659 402374688 /nfs/dbraw/zinc/37/46/88/402374688.db2.gz SUAMRSUWKUCGQP-HNNXBMFYSA-N 1 2 324.371 2.181 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc2ccccn2c1 ZINC000161286616 402380881 /nfs/dbraw/zinc/38/08/81/402380881.db2.gz IDZQSUSOHUSKCP-HNNXBMFYSA-N 1 2 306.369 2.343 20 70 DEIDLO O=C(C1=CCCC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160168577 402337274 /nfs/dbraw/zinc/33/72/74/402337274.db2.gz OKLHCEQHJZDPAC-UHFFFAOYSA-N 1 2 310.401 2.089 20 70 DEIDLO CCCOC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160388378 520213146 /nfs/dbraw/zinc/21/31/46/520213146.db2.gz KGQMAIJAPJCARC-GFCCVEGCSA-N 1 2 322.405 2.124 20 70 DEIDLO COCCc1noc(C[N@H+](C)CCC(=O)c2ccc(C)cc2)n1 ZINC000160161641 522039083 /nfs/dbraw/zinc/03/90/83/522039083.db2.gz POKCENGLPGGXFM-UHFFFAOYSA-N 1 2 317.389 2.272 20 70 DEIDLO COCCc1noc(C[N@@H+](C)CCC(=O)c2ccc(C)cc2)n1 ZINC000160161641 522039094 /nfs/dbraw/zinc/03/90/94/522039094.db2.gz POKCENGLPGGXFM-UHFFFAOYSA-N 1 2 317.389 2.272 20 70 DEIDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1cccnc1 ZINC000160299667 526055953 /nfs/dbraw/zinc/05/59/53/526055953.db2.gz FBUPKJXOISQZQQ-CQSZACIVSA-N 1 2 315.392 2.400 20 70 DEIDLO C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1cccnc1 ZINC000160299667 526055962 /nfs/dbraw/zinc/05/59/62/526055962.db2.gz FBUPKJXOISQZQQ-CQSZACIVSA-N 1 2 315.392 2.400 20 70 DEIDLO O=C(CSCC[NH+]1CCOCC1)N1CCCc2ccccc21 ZINC000159834211 527019050 /nfs/dbraw/zinc/01/90/50/527019050.db2.gz KXCUOTXSJBYIFC-UHFFFAOYSA-N 1 2 320.458 2.031 20 70 DEIDLO Cn1c(COc2ccccc2)nnc1SCCn1cc[nH+]c1 ZINC000160192536 527065221 /nfs/dbraw/zinc/06/52/21/527065221.db2.gz SNEVFYIFIZYETP-UHFFFAOYSA-N 1 2 315.402 2.383 20 70 DEIDLO CCCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159584401 186129069 /nfs/dbraw/zinc/12/90/69/186129069.db2.gz BLLJYDQSUINPQS-DNVCBOLYSA-N 1 2 316.445 2.465 20 70 DEIDLO CCCCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159584401 186129071 /nfs/dbraw/zinc/12/90/71/186129071.db2.gz BLLJYDQSUINPQS-DNVCBOLYSA-N 1 2 316.445 2.465 20 70 DEIDLO Cc1csc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000159893307 197371800 /nfs/dbraw/zinc/37/18/00/197371800.db2.gz VRNXBMYFEFPHBJ-NSHDSACASA-N 1 2 303.391 2.247 20 70 DEIDLO Cc1cc(N)nc(S[C@@H]2CCCN(CC(F)(F)F)C2=O)[nH+]1 ZINC000159422574 402323463 /nfs/dbraw/zinc/32/34/63/402323463.db2.gz TUDRUXWPGJZEBX-MRVPVSSYSA-N 1 2 320.340 2.013 20 70 DEIDLO C[C@@H]1C(=O)NCC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160355998 402341954 /nfs/dbraw/zinc/34/19/54/402341954.db2.gz ITIOSPLXPRJNEO-SECBINFHSA-N 1 2 303.189 2.193 20 70 DEIDLO C[C@@H]1C(=O)NCC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160355998 402341956 /nfs/dbraw/zinc/34/19/56/402341956.db2.gz ITIOSPLXPRJNEO-SECBINFHSA-N 1 2 303.189 2.193 20 70 DEIDLO CCC[C@H](C(=O)OCC)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161457737 402388401 /nfs/dbraw/zinc/38/84/01/402388401.db2.gz IKPUKZQIYRDKKR-VXGBXAGGSA-N 1 2 311.344 2.353 20 70 DEIDLO CCC1(CNC(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161111769 402373313 /nfs/dbraw/zinc/37/33/13/402373313.db2.gz JKKRSKWBGHVHRU-LSDHHAIUSA-N 1 2 311.470 2.365 20 70 DEIDLO CCC[N@H+](Cc1ccccc1NC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000161111795 402373553 /nfs/dbraw/zinc/37/35/53/402373553.db2.gz OCMHIPYMSMKYBD-HNNXBMFYSA-N 1 2 324.446 2.044 20 70 DEIDLO CCC[N@@H+](Cc1ccccc1NC(C)=O)[C@H]1CCS(=O)(=O)C1 ZINC000161111795 402373555 /nfs/dbraw/zinc/37/35/55/402373555.db2.gz OCMHIPYMSMKYBD-HNNXBMFYSA-N 1 2 324.446 2.044 20 70 DEIDLO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000161203007 402377539 /nfs/dbraw/zinc/37/75/39/402377539.db2.gz NJKPSMPSCUFVRX-UHFFFAOYSA-N 1 2 312.797 2.134 20 70 DEIDLO CN(C)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161205115 402377699 /nfs/dbraw/zinc/37/76/99/402377699.db2.gz ZTAUZDDVOQBFKC-HNNXBMFYSA-N 1 2 310.401 2.156 20 70 DEIDLO COc1ccc(CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC000161376765 402384985 /nfs/dbraw/zinc/38/49/85/402384985.db2.gz QSVJVKFADMSWFU-HNNXBMFYSA-N 1 2 313.401 2.421 20 70 DEIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccnc1Cl ZINC000161408000 402386286 /nfs/dbraw/zinc/38/62/86/402386286.db2.gz YLDKETJGNZVJAJ-LLVKDONJSA-N 1 2 302.765 2.139 20 70 DEIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCCCC2)nc[nH+]1 ZINC000161365178 521733277 /nfs/dbraw/zinc/73/32/77/521733277.db2.gz FKZDIFPGRHZOJD-UHFFFAOYSA-N 1 2 305.426 2.041 20 70 DEIDLO CCNC(=O)C(C)(C)CNc1cc(N2CCCCC2)[nH+]cn1 ZINC000161365178 521733278 /nfs/dbraw/zinc/73/32/78/521733278.db2.gz FKZDIFPGRHZOJD-UHFFFAOYSA-N 1 2 305.426 2.041 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccc(F)cc2)n1 ZINC000160590605 523829876 /nfs/dbraw/zinc/82/98/76/523829876.db2.gz QKPOYVFZKSACAP-UHFFFAOYSA-N 1 2 305.353 2.395 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOc2ccc(F)cc2)n1 ZINC000160590605 523829879 /nfs/dbraw/zinc/82/98/79/523829879.db2.gz QKPOYVFZKSACAP-UHFFFAOYSA-N 1 2 305.353 2.395 20 70 DEIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159573798 186128283 /nfs/dbraw/zinc/12/82/83/186128283.db2.gz VXJDGXKHRATJMU-QWRGUYRKSA-N 1 2 318.373 2.275 20 70 DEIDLO CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)C[C@H](C)O ZINC000159573798 186128285 /nfs/dbraw/zinc/12/82/85/186128285.db2.gz VXJDGXKHRATJMU-QWRGUYRKSA-N 1 2 318.373 2.275 20 70 DEIDLO CCCNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159570986 283381550 /nfs/dbraw/zinc/38/15/50/283381550.db2.gz PPTUDGTVAPDZFA-KBXCAEBGSA-N 1 2 302.418 2.075 20 70 DEIDLO CCCNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159570986 283381551 /nfs/dbraw/zinc/38/15/51/283381551.db2.gz PPTUDGTVAPDZFA-KBXCAEBGSA-N 1 2 302.418 2.075 20 70 DEIDLO C[C@@H](c1ccccc1)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159924756 291661350 /nfs/dbraw/zinc/66/13/50/291661350.db2.gz CAZORQGDYQKFJP-HNNXBMFYSA-N 1 2 322.474 2.271 20 70 DEIDLO CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000216903999 402290194 /nfs/dbraw/zinc/29/01/94/402290194.db2.gz FIESGDIXQCPVRD-MRXNPFEDSA-N 1 2 307.390 2.492 20 70 DEIDLO CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2C(=O)OC)cc1 ZINC000216903999 402290197 /nfs/dbraw/zinc/29/01/97/402290197.db2.gz FIESGDIXQCPVRD-MRXNPFEDSA-N 1 2 307.390 2.492 20 70 DEIDLO CC(C)c1nc(N(C)C)nc(N[C@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160405970 402344283 /nfs/dbraw/zinc/34/42/83/402344283.db2.gz ADAMCZIAXUTTKK-STQMWFEESA-N 1 2 305.426 2.431 20 70 DEIDLO CC(C)c1nc(N[C@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000160405970 402344284 /nfs/dbraw/zinc/34/42/84/402344284.db2.gz ADAMCZIAXUTTKK-STQMWFEESA-N 1 2 305.426 2.431 20 70 DEIDLO CCC(CC)c1cc(C(=O)N[C@H](C)C[NH+]2CCOCC2)on1 ZINC000160593363 402353011 /nfs/dbraw/zinc/35/30/11/402353011.db2.gz HPOFLSFZSAQSRV-GFCCVEGCSA-N 1 2 309.410 2.029 20 70 DEIDLO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC2(C1)OCCO2 ZINC000160625477 402354592 /nfs/dbraw/zinc/35/45/92/402354592.db2.gz NMHFRIVQPALZQW-GFCCVEGCSA-N 1 2 301.346 2.246 20 70 DEIDLO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC2(C1)OCCO2 ZINC000160625477 402354593 /nfs/dbraw/zinc/35/45/93/402354593.db2.gz NMHFRIVQPALZQW-GFCCVEGCSA-N 1 2 301.346 2.246 20 70 DEIDLO CCn1cc[nH+]c1CN1CCN(c2ccccc2OC)CC1 ZINC000160669201 402356334 /nfs/dbraw/zinc/35/63/34/402356334.db2.gz QXQQSNPJPPMITF-UHFFFAOYSA-N 1 2 300.406 2.234 20 70 DEIDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C)c1 ZINC000161084401 402372255 /nfs/dbraw/zinc/37/22/55/402372255.db2.gz XASBNJYALOSFBB-UHFFFAOYSA-N 1 2 300.406 2.498 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cnn(C)c1 ZINC000161084401 402372257 /nfs/dbraw/zinc/37/22/57/402372257.db2.gz XASBNJYALOSFBB-UHFFFAOYSA-N 1 2 300.406 2.498 20 70 DEIDLO CCCO[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161510637 402389797 /nfs/dbraw/zinc/38/97/97/402389797.db2.gz OIBZSZVRKWDMJW-HUUCEWRRSA-N 1 2 305.422 2.253 20 70 DEIDLO O=C(/C=C\c1c(Cl)nc2sccn12)NCc1[nH]cc[nH+]1 ZINC000217000006 268573926 /nfs/dbraw/zinc/57/39/26/268573926.db2.gz IZDYATGEDHKPMJ-UPHRSURJSA-N 1 2 307.766 2.102 20 70 DEIDLO CC(C)N(C(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000159928697 519558728 /nfs/dbraw/zinc/55/87/28/519558728.db2.gz JNHUHLUZWMCYFI-UHFFFAOYSA-N 1 2 322.474 2.493 20 70 DEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000160228306 519743445 /nfs/dbraw/zinc/74/34/45/519743445.db2.gz DZWDYEZJVHMYGI-CYBMUJFWSA-N 1 2 322.409 2.031 20 70 DEIDLO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccnn1C ZINC000160897511 521554469 /nfs/dbraw/zinc/55/44/69/521554469.db2.gz SKLDVGZPTFQJOF-UHFFFAOYSA-N 1 2 316.405 2.279 20 70 DEIDLO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccnn1C ZINC000160897511 521554480 /nfs/dbraw/zinc/55/44/80/521554480.db2.gz SKLDVGZPTFQJOF-UHFFFAOYSA-N 1 2 316.405 2.279 20 70 DEIDLO CCc1nnc(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)[nH]1 ZINC000160433409 522350743 /nfs/dbraw/zinc/35/07/43/522350743.db2.gz RAIHXHGRKFXXQN-SECBINFHSA-N 1 2 308.357 2.374 20 70 DEIDLO Cc1cccc(OC[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160357140 524753631 /nfs/dbraw/zinc/75/36/31/524753631.db2.gz YCKMAEFPCVAJHF-CABCVRRESA-N 1 2 313.401 2.338 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000159929805 525973860 /nfs/dbraw/zinc/97/38/60/525973860.db2.gz GDXPKOJKRASSBG-LSDHHAIUSA-N 1 2 322.474 2.318 20 70 DEIDLO O=C(c1ccc(F)cc1F)N1CC[NH+](CCOCC2CC2)CC1 ZINC000160316482 526693834 /nfs/dbraw/zinc/69/38/34/526693834.db2.gz DJKXOYUBTJRWQG-UHFFFAOYSA-N 1 2 324.371 2.149 20 70 DEIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159753847 186139599 /nfs/dbraw/zinc/13/95/99/186139599.db2.gz LXQMKFRYYSZYJR-CJNGLKHVSA-N 1 2 315.417 2.303 20 70 DEIDLO CC(C)(C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160300404 197399278 /nfs/dbraw/zinc/39/92/78/197399278.db2.gz QCHWYZWPQXPBHA-CVEARBPZSA-N 1 2 317.433 2.080 20 70 DEIDLO CC(C)(C)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160300404 197399280 /nfs/dbraw/zinc/39/92/80/197399280.db2.gz QCHWYZWPQXPBHA-CVEARBPZSA-N 1 2 317.433 2.080 20 70 DEIDLO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160023878 291661915 /nfs/dbraw/zinc/66/19/15/291661915.db2.gz QQUUMCXMQQAEFE-CABCVRRESA-N 1 2 314.495 2.089 20 70 DEIDLO C[C@H]1OCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C ZINC000159368417 197349133 /nfs/dbraw/zinc/34/91/33/197349133.db2.gz AJDLFAAYVWUKNO-UONOGXRCSA-N 1 2 318.421 2.001 20 70 DEIDLO Cc1nc(N2CCN(c3nc(C(C)(C)C)ns3)CC2)cc[nH+]1 ZINC000160343817 402341498 /nfs/dbraw/zinc/34/14/98/402341498.db2.gz BGEWWNQQAJBLFC-UHFFFAOYSA-N 1 2 318.450 2.261 20 70 DEIDLO CC(C)(C)c1nsc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160407592 402344001 /nfs/dbraw/zinc/34/40/01/402344001.db2.gz ORZZDATUSRIQEH-GFCCVEGCSA-N 1 2 310.467 2.137 20 70 DEIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](Nc2ccccc2)C1 ZINC000161155600 402375320 /nfs/dbraw/zinc/37/53/20/402375320.db2.gz ZQSFYTUFZUJBSJ-ZBFHGGJFSA-N 1 2 310.401 2.159 20 70 DEIDLO Cc1nc(N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc[nH+]1 ZINC000161318076 402382705 /nfs/dbraw/zinc/38/27/05/402382705.db2.gz WQBQSPDBFGRDLH-INIZCTEOSA-N 1 2 310.401 2.431 20 70 DEIDLO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663892 402327856 /nfs/dbraw/zinc/32/78/56/402327856.db2.gz GPALLVHADADFGO-HNAYVOBHSA-N 1 2 316.445 2.321 20 70 DEIDLO CC(C)CNC(=O)[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663892 402327865 /nfs/dbraw/zinc/32/78/65/402327865.db2.gz GPALLVHADADFGO-HNAYVOBHSA-N 1 2 316.445 2.321 20 70 DEIDLO O=C1[C@H](SCC[NH+]2CCOCC2)CCCN1c1ccccc1 ZINC000159807865 402331185 /nfs/dbraw/zinc/33/11/85/402331185.db2.gz CMVLPFLNVCCPQM-MRXNPFEDSA-N 1 2 320.458 2.247 20 70 DEIDLO Cn1cnc2cc(C(=O)Nc3cccc(-n4cc[nH+]c4)c3)cnc21 ZINC000160139463 527501681 /nfs/dbraw/zinc/50/16/81/527501681.db2.gz GUHRHSGQUXMGFQ-UHFFFAOYSA-N 1 2 318.340 2.406 20 70 DEIDLO COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000160919267 402365182 /nfs/dbraw/zinc/36/51/82/402365182.db2.gz FGSQLEDKMNIZJX-UHFFFAOYSA-N 1 2 324.333 2.117 20 70 DEIDLO CC[N@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cnn(C)c1 ZINC000161078224 402372034 /nfs/dbraw/zinc/37/20/34/402372034.db2.gz PMRMHYIGGKSQDM-UHFFFAOYSA-N 1 2 308.332 2.159 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1cnn(C)c1 ZINC000161078224 402372036 /nfs/dbraw/zinc/37/20/36/402372036.db2.gz PMRMHYIGGKSQDM-UHFFFAOYSA-N 1 2 308.332 2.159 20 70 DEIDLO CCCO[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161510741 402389744 /nfs/dbraw/zinc/38/97/44/402389744.db2.gz OIBZSZVRKWDMJW-CABCVRRESA-N 1 2 305.422 2.253 20 70 DEIDLO CCOCCC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161394384 521674441 /nfs/dbraw/zinc/67/44/41/521674441.db2.gz UINPIJUSZMNMCJ-UHFFFAOYSA-N 1 2 310.825 2.411 20 70 DEIDLO CCc1cc(N(CC)CCC(=O)OC)nc(-c2ccncc2)[nH+]1 ZINC000159585104 523790360 /nfs/dbraw/zinc/79/03/60/523790360.db2.gz KUTGCAUYISZANZ-UHFFFAOYSA-N 1 2 314.389 2.490 20 70 DEIDLO C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000159664750 186133897 /nfs/dbraw/zinc/13/38/97/186133897.db2.gz ADVBXLCMFGWUFV-HOCLYGCPSA-N 1 2 324.428 2.013 20 70 DEIDLO CCC[C@@H](C(=O)OCC)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161457401 291675122 /nfs/dbraw/zinc/67/51/22/291675122.db2.gz IKPUKZQIYRDKKR-RYUDHWBXSA-N 1 2 311.344 2.353 20 70 DEIDLO COCCOc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000159834995 197367902 /nfs/dbraw/zinc/36/79/02/197367902.db2.gz WGPWZWNGBFMVIX-CYBMUJFWSA-N 1 2 315.373 2.109 20 70 DEIDLO C[C@H](c1ccccc1)N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159924894 291661161 /nfs/dbraw/zinc/66/11/61/291661161.db2.gz CAZORQGDYQKFJP-OAHLLOKOSA-N 1 2 322.474 2.271 20 70 DEIDLO COC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159580731 402326559 /nfs/dbraw/zinc/32/65/59/402326559.db2.gz ZOPMFVAKQGFUQW-GFCCVEGCSA-N 1 2 324.808 2.049 20 70 DEIDLO COC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159580731 402326560 /nfs/dbraw/zinc/32/65/60/402326560.db2.gz ZOPMFVAKQGFUQW-GFCCVEGCSA-N 1 2 324.808 2.049 20 70 DEIDLO CCn1nccc1C[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000160688506 402357181 /nfs/dbraw/zinc/35/71/81/402357181.db2.gz UFMZSKOEBMITOH-UHFFFAOYSA-N 1 2 300.406 2.234 20 70 DEIDLO CCCn1c(C)nnc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000160686896 402357212 /nfs/dbraw/zinc/35/72/12/402357212.db2.gz LVTQSMXRXCYFPN-QGZVFWFLSA-N 1 2 314.433 2.478 20 70 DEIDLO CCCn1c(C)nnc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000160686896 402357214 /nfs/dbraw/zinc/35/72/14/402357214.db2.gz LVTQSMXRXCYFPN-QGZVFWFLSA-N 1 2 314.433 2.478 20 70 DEIDLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1nc(C)cs1 ZINC000161440821 402387733 /nfs/dbraw/zinc/38/77/33/402387733.db2.gz DFGOZKNQLIPKTR-RYUDHWBXSA-N 1 2 304.419 2.478 20 70 DEIDLO CS[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161385670 402385493 /nfs/dbraw/zinc/38/54/93/402385493.db2.gz MLVNLROYIGVDOX-CYBMUJFWSA-N 1 2 323.462 2.392 20 70 DEIDLO CCOC(=O)[C@H](Cc1ccccc1)SCC[NH+]1CCOCC1 ZINC000160028252 402335702 /nfs/dbraw/zinc/33/57/02/402335702.db2.gz GUMNXLVQLLCMJS-INIZCTEOSA-N 1 2 323.458 2.226 20 70 DEIDLO CC(C)OC(=O)CCCNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000160138209 519743464 /nfs/dbraw/zinc/74/34/64/519743464.db2.gz NHYHWHCFKNAELL-ZDUSSCGKSA-N 1 2 322.409 2.378 20 70 DEIDLO CCn1c(SCCn2cc[nH+]c2)nnc1-c1cccnc1 ZINC000160184481 523237018 /nfs/dbraw/zinc/23/70/18/523237018.db2.gz BGUAATXWOZZYHX-UHFFFAOYSA-N 1 2 300.391 2.349 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](CCOC)Cc2ccccc2)n1 ZINC000160518860 523832344 /nfs/dbraw/zinc/83/23/44/523832344.db2.gz LEHMQCURVQBMOB-UHFFFAOYSA-N 1 2 301.390 2.393 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](CCOC)Cc2ccccc2)n1 ZINC000160518860 523832350 /nfs/dbraw/zinc/83/23/50/523832350.db2.gz LEHMQCURVQBMOB-UHFFFAOYSA-N 1 2 301.390 2.393 20 70 DEIDLO O=C(NCCn1cc[nH+]c1)NCc1ccccc1OCC1CC1 ZINC000160818124 526473698 /nfs/dbraw/zinc/47/36/98/526473698.db2.gz DXHFYZFTHLVOER-UHFFFAOYSA-N 1 2 314.389 2.171 20 70 DEIDLO C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160018688 197380099 /nfs/dbraw/zinc/38/00/99/197380099.db2.gz VEDFHQFPYIYUCD-KFWWJZLASA-N 1 2 305.422 2.157 20 70 DEIDLO C[C@@H]1OCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@H]1C ZINC000159368185 197348496 /nfs/dbraw/zinc/34/84/96/197348496.db2.gz AJDLFAAYVWUKNO-KBPBESRZSA-N 1 2 318.421 2.001 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)CCCC1 ZINC000159439463 402323432 /nfs/dbraw/zinc/32/34/32/402323432.db2.gz OUBUGXRBPVFYSA-KBPBESRZSA-N 1 2 310.438 2.099 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)CCCC1 ZINC000159439463 402323433 /nfs/dbraw/zinc/32/34/33/402323433.db2.gz OUBUGXRBPVFYSA-KBPBESRZSA-N 1 2 310.438 2.099 20 70 DEIDLO CCCN(Cc1c[nH+]c2ccc(C)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000161122140 402373987 /nfs/dbraw/zinc/37/39/87/402373987.db2.gz JKVKTVXKGFHYMU-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@H+](Cc1cnc2ccc(C)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000161122140 402373989 /nfs/dbraw/zinc/37/39/89/402373989.db2.gz JKVKTVXKGFHYMU-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO CCC[N@@H+](Cc1cnc2ccc(C)cn12)[C@H]1CCS(=O)(=O)C1 ZINC000161122140 402373990 /nfs/dbraw/zinc/37/39/90/402373990.db2.gz JKVKTVXKGFHYMU-AWEZNQCLSA-N 1 2 321.446 2.042 20 70 DEIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)c1cccc(F)n1 ZINC000161370304 402385421 /nfs/dbraw/zinc/38/54/21/402385421.db2.gz HMOMHNMQGRARGW-UHFFFAOYSA-N 1 2 300.337 2.146 20 70 DEIDLO Cc1ccccc1CNC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159911626 402333679 /nfs/dbraw/zinc/33/36/79/402333679.db2.gz WRJYUWWDBBAXFT-OAHLLOKOSA-N 1 2 322.474 2.065 20 70 DEIDLO CC(C)CC(=O)NCCC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000160089699 519594802 /nfs/dbraw/zinc/59/48/02/519594802.db2.gz VLJKOISKJMBRCR-UHFFFAOYSA-N 1 2 314.389 2.363 20 70 DEIDLO CCCn1nc(C)c(C(=O)NCc2cn3ccccc3[nH+]2)c1C ZINC000161454654 521666077 /nfs/dbraw/zinc/66/60/77/521666077.db2.gz RUXOOLGLSLATDV-UHFFFAOYSA-N 1 2 311.389 2.488 20 70 DEIDLO COc1cc(OC)c(OC)cc1C[N@H+](C)Cc1cnn(C)c1 ZINC000161061481 522821770 /nfs/dbraw/zinc/82/17/70/522821770.db2.gz RHKAYQUTMUQOPG-UHFFFAOYSA-N 1 2 305.378 2.078 20 70 DEIDLO COc1cc(OC)c(OC)cc1C[N@@H+](C)Cc1cnn(C)c1 ZINC000161061481 522821778 /nfs/dbraw/zinc/82/17/78/522821778.db2.gz RHKAYQUTMUQOPG-UHFFFAOYSA-N 1 2 305.378 2.078 20 70 DEIDLO C[C@]1(CNC(=O)NCCCNc2cccc[nH+]2)CCCS1 ZINC000160682446 525254426 /nfs/dbraw/zinc/25/44/26/525254426.db2.gz LEEPQRIFUGFYRE-OAHLLOKOSA-N 1 2 308.451 2.469 20 70 DEIDLO C[C@@]1(CNC(=O)NCCCNc2cccc[nH+]2)CCCS1 ZINC000160682575 525839131 /nfs/dbraw/zinc/83/91/31/525839131.db2.gz LEEPQRIFUGFYRE-HNNXBMFYSA-N 1 2 308.451 2.469 20 70 DEIDLO CC(C)(C)S(=O)(=O)CC(=O)Nc1ccccc1-n1cc[nH+]c1 ZINC000159801985 291659113 /nfs/dbraw/zinc/65/91/13/291659113.db2.gz LFLPAGYKUOKKGB-UHFFFAOYSA-N 1 2 321.402 2.024 20 70 DEIDLO Cc1cc(C[N@@H+]2CCC[C@H]2C(N)=O)sc1Br ZINC000160334793 402340893 /nfs/dbraw/zinc/34/08/93/402340893.db2.gz GSKBSXLWKNIRKX-VIFPVBQESA-N 1 2 303.225 2.269 20 70 DEIDLO Cc1cc(C[N@H+]2CCC[C@H]2C(N)=O)sc1Br ZINC000160334793 402340896 /nfs/dbraw/zinc/34/08/96/402340896.db2.gz GSKBSXLWKNIRKX-VIFPVBQESA-N 1 2 303.225 2.269 20 70 DEIDLO CC(C)(C)c1nsc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160407716 402344309 /nfs/dbraw/zinc/34/43/09/402344309.db2.gz ORZZDATUSRIQEH-LBPRGKRZSA-N 1 2 310.467 2.137 20 70 DEIDLO CC[N@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160575229 402351843 /nfs/dbraw/zinc/35/18/43/402351843.db2.gz BHWVHSHBOBHALS-LLVKDONJSA-N 1 2 316.492 2.450 20 70 DEIDLO CC[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160575229 402351848 /nfs/dbraw/zinc/35/18/48/402351848.db2.gz BHWVHSHBOBHALS-LLVKDONJSA-N 1 2 316.492 2.450 20 70 DEIDLO CCC[N@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113609 402373297 /nfs/dbraw/zinc/37/32/97/402373297.db2.gz VGMFNESVWRMFLK-GFCCVEGCSA-N 1 2 314.476 2.420 20 70 DEIDLO CCC[N@@H+](Cc1cnc(C2CC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161113609 402373299 /nfs/dbraw/zinc/37/32/99/402373299.db2.gz VGMFNESVWRMFLK-GFCCVEGCSA-N 1 2 314.476 2.420 20 70 DEIDLO CS[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161385537 402385632 /nfs/dbraw/zinc/38/56/32/402385632.db2.gz MLVNLROYIGVDOX-ZDUSSCGKSA-N 1 2 323.462 2.392 20 70 DEIDLO CN(CCOCc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC000159508791 539582816 /nfs/dbraw/zinc/58/28/16/539582816.db2.gz FPULCPDFSWBNFZ-UHFFFAOYSA-N 1 2 301.390 2.339 20 70 DEIDLO Cn1cc[nH+]c1CN1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000160823582 355966278 /nfs/dbraw/zinc/96/62/78/355966278.db2.gz HETBWCQTPJJUNV-UHFFFAOYSA-N 1 2 318.465 2.425 20 70 DEIDLO CCN(CC)c1ccc(CNC(=O)[C@H](O)c2ccccc2)c[nH+]1 ZINC000159787499 197364239 /nfs/dbraw/zinc/36/42/39/197364239.db2.gz ZXPUKVXCMPVXGF-QGZVFWFLSA-N 1 2 313.401 2.278 20 70 DEIDLO CCOc1ccc(OCC[N@@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000216904033 402289969 /nfs/dbraw/zinc/28/99/69/402289969.db2.gz FIESGDIXQCPVRD-INIZCTEOSA-N 1 2 307.390 2.492 20 70 DEIDLO CCOc1ccc(OCC[N@H+]2CCCC[C@H]2C(=O)OC)cc1 ZINC000216904033 402289970 /nfs/dbraw/zinc/28/99/70/402289970.db2.gz FIESGDIXQCPVRD-INIZCTEOSA-N 1 2 307.390 2.492 20 70 DEIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160345305 402341763 /nfs/dbraw/zinc/34/17/63/402341763.db2.gz HMFGESSWSDZNCT-OAHLLOKOSA-N 1 2 309.431 2.077 20 70 DEIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000160345305 402341765 /nfs/dbraw/zinc/34/17/65/402341765.db2.gz HMFGESSWSDZNCT-OAHLLOKOSA-N 1 2 309.431 2.077 20 70 DEIDLO CC[N@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000160648706 402355660 /nfs/dbraw/zinc/35/56/60/402355660.db2.gz KFCFFQLDLLFBGU-UHFFFAOYSA-N 1 2 318.373 2.241 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(CO)o1 ZINC000160648706 402355662 /nfs/dbraw/zinc/35/56/62/402355662.db2.gz KFCFFQLDLLFBGU-UHFFFAOYSA-N 1 2 318.373 2.241 20 70 DEIDLO CCCn1c(C)nnc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000160687030 402357230 /nfs/dbraw/zinc/35/72/30/402357230.db2.gz LVTQSMXRXCYFPN-KRWDZBQOSA-N 1 2 314.433 2.478 20 70 DEIDLO CCCn1c(C)nnc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000160687030 402357231 /nfs/dbraw/zinc/35/72/31/402357231.db2.gz LVTQSMXRXCYFPN-KRWDZBQOSA-N 1 2 314.433 2.478 20 70 DEIDLO Fc1ccc(OCCN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161176086 402376447 /nfs/dbraw/zinc/37/64/47/402376447.db2.gz XZHCEUPOIJNZBZ-UHFFFAOYSA-N 1 2 315.392 2.417 20 70 DEIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)N2CCC[C@@](C)(O)C2)c1 ZINC000161218802 402378422 /nfs/dbraw/zinc/37/84/22/402378422.db2.gz NSRSYWCZVBGYNH-QGZVFWFLSA-N 1 2 314.389 2.466 20 70 DEIDLO CC(=O)c1csc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161392760 402385551 /nfs/dbraw/zinc/38/55/51/402385551.db2.gz SRKKEFRQJMQOQJ-ZDUSSCGKSA-N 1 2 315.398 2.354 20 70 DEIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCC1CCC(C)(C)CC1 ZINC000159794602 402331265 /nfs/dbraw/zinc/33/12/65/402331265.db2.gz LLKVNARODMDFCW-AWEZNQCLSA-N 1 2 311.470 2.223 20 70 DEIDLO Cc1c(NC(=O)NCCn2cc[nH+]c2)cnn1CCC(C)C ZINC000161405064 402386544 /nfs/dbraw/zinc/38/65/44/402386544.db2.gz JJUYRBWXYRBGAE-UHFFFAOYSA-N 1 2 304.398 2.256 20 70 DEIDLO CCC(CC)c1cc(C(=O)NC[C@H](C)[NH+]2CCOCC2)on1 ZINC000160205639 402338073 /nfs/dbraw/zinc/33/80/73/402338073.db2.gz JJBNRPNYKFNQNO-LBPRGKRZSA-N 1 2 309.410 2.029 20 70 DEIDLO COC(=O)c1ccc(CSCC[NH+]2CCOCC2)s1 ZINC000159849030 522051628 /nfs/dbraw/zinc/05/16/28/522051628.db2.gz JPUBNMAYZMQLCA-UHFFFAOYSA-N 1 2 301.433 2.100 20 70 DEIDLO CC(C)CCOC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160081842 197384257 /nfs/dbraw/zinc/38/42/57/197384257.db2.gz OMUPGDXAYALPPB-HNNXBMFYSA-N 1 2 319.449 2.499 20 70 DEIDLO COCc1cc(N[C@H](C)C[NH+]2CCOCC2)nc(C(C)(C)C)n1 ZINC000159733023 291657850 /nfs/dbraw/zinc/65/78/50/291657850.db2.gz UWWQNEHDSXIKFL-CYBMUJFWSA-N 1 2 322.453 2.053 20 70 DEIDLO Cc1noc(Cl)c1CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159400176 402322547 /nfs/dbraw/zinc/32/25/47/402322547.db2.gz FIGIGPPOAASOOP-UHFFFAOYSA-N 1 2 318.764 2.186 20 70 DEIDLO Cc1cccc2[nH+]c(CNC(=O)c3cccc4[nH]cnc43)cn21 ZINC000159482872 402324040 /nfs/dbraw/zinc/32/40/40/402324040.db2.gz NNSPCAYUHLOGPU-UHFFFAOYSA-N 1 2 305.341 2.449 20 70 DEIDLO C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160757592 402359871 /nfs/dbraw/zinc/35/98/71/402359871.db2.gz JAVJDPZEFUSIHE-GOEBONIOSA-N 1 2 324.428 2.013 20 70 DEIDLO CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000160832860 402362433 /nfs/dbraw/zinc/36/24/33/402362433.db2.gz SCGUQYCCYNICNN-UHFFFAOYSA-N 1 2 321.402 2.024 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000161086183 402372080 /nfs/dbraw/zinc/37/20/80/402372080.db2.gz CLCMDOJFAONGPW-SQWLQELKSA-N 1 2 306.454 2.325 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000161086183 402372082 /nfs/dbraw/zinc/37/20/82/402372082.db2.gz CLCMDOJFAONGPW-SQWLQELKSA-N 1 2 306.454 2.325 20 70 DEIDLO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161145552 402375545 /nfs/dbraw/zinc/37/55/45/402375545.db2.gz OQXXLOHKYDOMLD-UHFFFAOYSA-N 1 2 324.428 2.146 20 70 DEIDLO CCCC[C@H](C(=O)OC)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161275578 402380059 /nfs/dbraw/zinc/38/00/59/402380059.db2.gz SJSUCCZEVQMHQW-NEPJUHHUSA-N 1 2 311.344 2.353 20 70 DEIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnn(C)c2)CC1 ZINC000161359580 402384560 /nfs/dbraw/zinc/38/45/60/402384560.db2.gz HDACBJFPOHEOTI-LBPRGKRZSA-N 1 2 319.434 2.392 20 70 DEIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2cnn(C)c2)CC1 ZINC000161359729 402384568 /nfs/dbraw/zinc/38/45/68/402384568.db2.gz HDACBJFPOHEOTI-GFCCVEGCSA-N 1 2 319.434 2.392 20 70 DEIDLO Cc1nc(Cl)ccc1C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161394961 402385996 /nfs/dbraw/zinc/38/59/96/402385996.db2.gz KZESYZMUUOJCRC-GFCCVEGCSA-N 1 2 316.792 2.447 20 70 DEIDLO COc1ccccc1NC(=O)[C@@H](C)SCC[NH+]1CCOCC1 ZINC000159926443 402333780 /nfs/dbraw/zinc/33/37/80/402333780.db2.gz ZCXYNDNBRORVCQ-CYBMUJFWSA-N 1 2 324.446 2.088 20 70 DEIDLO O=C1C[N@H+](Cc2cccc(OCc3ccccc3F)c2)CCN1 ZINC000160510846 527004167 /nfs/dbraw/zinc/00/41/67/527004167.db2.gz XKAUIDGNTDZWGT-UHFFFAOYSA-N 1 2 314.360 2.337 20 70 DEIDLO O=C1C[N@@H+](Cc2cccc(OCc3ccccc3F)c2)CCN1 ZINC000160510846 527004171 /nfs/dbraw/zinc/00/41/71/527004171.db2.gz XKAUIDGNTDZWGT-UHFFFAOYSA-N 1 2 314.360 2.337 20 70 DEIDLO CCN(CC)c1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000160064542 197383538 /nfs/dbraw/zinc/38/35/38/197383538.db2.gz DKYZANFNLMSMJN-ZDUSSCGKSA-N 1 2 313.405 2.325 20 70 DEIDLO COc1ccc(Cl)cc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160068184 197383146 /nfs/dbraw/zinc/38/31/46/197383146.db2.gz VREQNSQUASDQKY-LLVKDONJSA-N 1 2 319.792 2.424 20 70 DEIDLO Cc1cnc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)s1 ZINC000160080402 197384814 /nfs/dbraw/zinc/38/48/14/197384814.db2.gz BHDBCLZFTWHVHV-LLVKDONJSA-N 1 2 303.391 2.247 20 70 DEIDLO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)n1 ZINC000159859470 197369494 /nfs/dbraw/zinc/36/94/94/197369494.db2.gz SMNGPGLPTRYIKP-GFCCVEGCSA-N 1 2 301.312 2.205 20 70 DEIDLO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)n1 ZINC000159859470 197369495 /nfs/dbraw/zinc/36/94/95/197369495.db2.gz SMNGPGLPTRYIKP-GFCCVEGCSA-N 1 2 301.312 2.205 20 70 DEIDLO O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)C1=CCCC1 ZINC000159720875 291657859 /nfs/dbraw/zinc/65/78/59/291657859.db2.gz DAAKFPDNFKSIOA-QGZVFWFLSA-N 1 2 300.402 2.286 20 70 DEIDLO COc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160280696 402340131 /nfs/dbraw/zinc/34/01/31/402340131.db2.gz ZCWFZXCARDZBDO-SWLSCSKDSA-N 1 2 314.389 2.267 20 70 DEIDLO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCCO1)c1cccc(F)c1 ZINC000160319417 402340695 /nfs/dbraw/zinc/34/06/95/402340695.db2.gz OAPQKVUZSMCRMS-CABCVRRESA-N 1 2 317.364 2.334 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)no1 ZINC000160445414 402346069 /nfs/dbraw/zinc/34/60/69/402346069.db2.gz GSWNXFBIPQUSDS-AWEZNQCLSA-N 1 2 300.362 2.462 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)no1 ZINC000160445414 402346071 /nfs/dbraw/zinc/34/60/71/402346071.db2.gz GSWNXFBIPQUSDS-AWEZNQCLSA-N 1 2 300.362 2.462 20 70 DEIDLO FC(F)(F)CN1CCC[N@H+](Cc2cnc3ccccn23)CC1 ZINC000160524680 402349549 /nfs/dbraw/zinc/34/95/49/402349549.db2.gz UEUZGKKWACWLOV-UHFFFAOYSA-N 1 2 312.339 2.404 20 70 DEIDLO FC(F)(F)CN1CCC[N@@H+](Cc2cnc3ccccn23)CC1 ZINC000160524680 402349550 /nfs/dbraw/zinc/34/95/50/402349550.db2.gz UEUZGKKWACWLOV-UHFFFAOYSA-N 1 2 312.339 2.404 20 70 DEIDLO CC[C@@H]1CC(=O)N(C[N@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160536188 402349959 /nfs/dbraw/zinc/34/99/59/402349959.db2.gz QCTLSYZBPZFXPZ-CYBMUJFWSA-N 1 2 313.442 2.001 20 70 DEIDLO CC[C@@H]1CC(=O)N(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)C1 ZINC000160536188 402349960 /nfs/dbraw/zinc/34/99/60/402349960.db2.gz QCTLSYZBPZFXPZ-CYBMUJFWSA-N 1 2 313.442 2.001 20 70 DEIDLO CCC(CC)c1cc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)on1 ZINC000160593238 402352970 /nfs/dbraw/zinc/35/29/70/402352970.db2.gz HPOFLSFZSAQSRV-LBPRGKRZSA-N 1 2 309.410 2.029 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@H+](C)CCOc2ccccc2F)n1 ZINC000160591753 402353113 /nfs/dbraw/zinc/35/31/13/402353113.db2.gz GDCVXIIKXTUFLT-UHFFFAOYSA-N 1 2 305.353 2.395 20 70 DEIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)CCOc2ccccc2F)n1 ZINC000160591753 402353117 /nfs/dbraw/zinc/35/31/17/402353117.db2.gz GDCVXIIKXTUFLT-UHFFFAOYSA-N 1 2 305.353 2.395 20 70 DEIDLO COCCC1(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000161021456 402369085 /nfs/dbraw/zinc/36/90/85/402369085.db2.gz JYDBLSMEDNGKHM-HUUCEWRRSA-N 1 2 320.437 2.292 20 70 DEIDLO O=C(c1cn[nH]c1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161282468 402380804 /nfs/dbraw/zinc/38/08/04/402380804.db2.gz VSCDABNGPOSXGK-UHFFFAOYSA-N 1 2 304.781 2.021 20 70 DEIDLO CC(=O)Nc1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161326059 402382590 /nfs/dbraw/zinc/38/25/90/402382590.db2.gz GOKCXQYWJHOEPG-MRXNPFEDSA-N 1 2 324.384 2.049 20 70 DEIDLO CN(CCN(C)c1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161491990 402389172 /nfs/dbraw/zinc/38/91/72/402389172.db2.gz MHFSRJXZXGRZIW-HNNXBMFYSA-N 1 2 312.417 2.040 20 70 DEIDLO CO[C@@H]1CCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159861518 402332029 /nfs/dbraw/zinc/33/20/29/402332029.db2.gz SARAPSNYUFHWHH-HUUCEWRRSA-N 1 2 318.421 2.049 20 70 DEIDLO Cc1c(C(=O)NCCn2cc[nH+]c2)cnn1-c1cc(C)ccc1C ZINC000160023464 402335087 /nfs/dbraw/zinc/33/50/87/402335087.db2.gz PDQCVWUTUOTUDY-UHFFFAOYSA-N 1 2 323.400 2.424 20 70 DEIDLO CC(C)C1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160631068 519550073 /nfs/dbraw/zinc/55/00/73/519550073.db2.gz BIDKGHFFQAFLAJ-UHFFFAOYSA-N 1 2 316.449 2.345 20 70 DEIDLO Cc1cccc(OC[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160356994 524761048 /nfs/dbraw/zinc/76/10/48/524761048.db2.gz YCKMAEFPCVAJHF-LSDHHAIUSA-N 1 2 313.401 2.338 20 70 DEIDLO Cc1ccccc1NC(=O)[C@H](C)SCC[NH+]1CCOCC1 ZINC000159796798 525261060 /nfs/dbraw/zinc/26/10/60/525261060.db2.gz HHFZQZCOHUKAQE-AWEZNQCLSA-N 1 2 308.447 2.387 20 70 DEIDLO CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000159910473 355963178 /nfs/dbraw/zinc/96/31/78/355963178.db2.gz ATEPQMOANITKFZ-WMZOPIPTSA-N 1 2 318.461 2.338 20 70 DEIDLO C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160079472 197384478 /nfs/dbraw/zinc/38/44/78/197384478.db2.gz MHZXFNJKYWRVQX-GOEBONIOSA-N 1 2 302.422 2.097 20 70 DEIDLO CCS(=O)(=O)c1cccc(CC(=O)Nc2cc[nH+]cc2C)c1 ZINC000159873109 197370275 /nfs/dbraw/zinc/37/02/75/197370275.db2.gz BXHRADJXFUXFAX-UHFFFAOYSA-N 1 2 318.398 2.365 20 70 DEIDLO CCSCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000160408113 402344082 /nfs/dbraw/zinc/34/40/82/402344082.db2.gz DUUSEYDNYWVFQW-UHFFFAOYSA-N 1 2 314.401 2.476 20 70 DEIDLO CC(C)c1nc(N(C)C)nc(N[C@@H]2CCO[C@H](C3CC3)C2)[nH+]1 ZINC000160405850 402344328 /nfs/dbraw/zinc/34/43/28/402344328.db2.gz ADAMCZIAXUTTKK-OLZOCXBDSA-N 1 2 305.426 2.431 20 70 DEIDLO CC(C)c1nc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(N(C)C)[nH+]1 ZINC000160405850 402344330 /nfs/dbraw/zinc/34/43/30/402344330.db2.gz ADAMCZIAXUTTKK-OLZOCXBDSA-N 1 2 305.426 2.431 20 70 DEIDLO COc1cc[nH+]cc1NC(=O)c1cnn(C2CCOCC2)c1C ZINC000160452055 402345848 /nfs/dbraw/zinc/34/58/48/402345848.db2.gz KGBHAJJLRXKJDU-UHFFFAOYSA-N 1 2 316.361 2.199 20 70 DEIDLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1nc(C)cs1 ZINC000161440583 402387599 /nfs/dbraw/zinc/38/75/99/402387599.db2.gz DFGOZKNQLIPKTR-NEPJUHHUSA-N 1 2 304.419 2.478 20 70 DEIDLO COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1c[nH]nc1C ZINC000160945669 402366702 /nfs/dbraw/zinc/36/67/02/402366702.db2.gz JEGJCBKSZAFTBT-UHFFFAOYSA-N 1 2 322.796 2.451 20 70 DEIDLO COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1c[nH]nc1C ZINC000160945669 402366704 /nfs/dbraw/zinc/36/67/04/402366704.db2.gz JEGJCBKSZAFTBT-UHFFFAOYSA-N 1 2 322.796 2.451 20 70 DEIDLO Cc1cc(NCCC(=O)NCc2ccccn2)nc(C(C)C)[nH+]1 ZINC000161022031 402369747 /nfs/dbraw/zinc/36/97/47/402369747.db2.gz FOALBZXWMVEQOY-UHFFFAOYSA-N 1 2 313.405 2.422 20 70 DEIDLO CC[N@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1cnn(C)c1 ZINC000161078380 402372069 /nfs/dbraw/zinc/37/20/69/402372069.db2.gz OYQYWIHPURNKEM-UHFFFAOYSA-N 1 2 304.369 2.328 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1ccc(C)c(F)c1)Cc1cnn(C)c1 ZINC000161078380 402372072 /nfs/dbraw/zinc/37/20/72/402372072.db2.gz OYQYWIHPURNKEM-UHFFFAOYSA-N 1 2 304.369 2.328 20 70 DEIDLO Cc1nc(N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc[nH+]1 ZINC000161318195 402382700 /nfs/dbraw/zinc/38/27/00/402382700.db2.gz WQBQSPDBFGRDLH-MRXNPFEDSA-N 1 2 310.401 2.431 20 70 DEIDLO O=C(NC[C@H]1CC=CCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159708224 402328885 /nfs/dbraw/zinc/32/88/85/402328885.db2.gz PIOQOWBSZGYDBA-INIZCTEOSA-N 1 2 314.433 2.265 20 70 DEIDLO COc1ccc(-c2cncc(C(=O)NCCn3cc[nH+]c3)c2)cc1 ZINC000159788698 402330928 /nfs/dbraw/zinc/33/09/28/402330928.db2.gz NSDPLBGAMCIZJS-UHFFFAOYSA-N 1 2 322.368 2.384 20 70 DEIDLO COc1cc(CCC(=O)NCCn2cc[nH+]c2)ccc1Cl ZINC000160023211 402334944 /nfs/dbraw/zinc/33/49/44/402334944.db2.gz HHYZZFJUCJANNI-UHFFFAOYSA-N 1 2 307.781 2.294 20 70 DEIDLO CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc[nH+]cc1C ZINC000159611163 539582996 /nfs/dbraw/zinc/58/29/96/539582996.db2.gz CKIRPFAPAGXGFL-UHFFFAOYSA-N 1 2 308.407 2.049 20 70 DEIDLO O=C(Nc1ccc(COC2CCCC2)cc1)[C@@H]1COCC[NH2+]1 ZINC000159599957 186129964 /nfs/dbraw/zinc/12/99/64/186129964.db2.gz KJPUTLSDMHSOIL-INIZCTEOSA-N 1 2 304.390 2.073 20 70 DEIDLO CCC[N@H+](CC(=O)N1CCCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160000223 197379140 /nfs/dbraw/zinc/37/91/40/197379140.db2.gz GZYMZWIAZLLAPW-HNNXBMFYSA-N 1 2 317.433 2.348 20 70 DEIDLO CCC[N@@H+](CC(=O)N1CCCC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000160000223 197379142 /nfs/dbraw/zinc/37/91/42/197379142.db2.gz GZYMZWIAZLLAPW-HNNXBMFYSA-N 1 2 317.433 2.348 20 70 DEIDLO COC(=O)Nc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160119589 291662340 /nfs/dbraw/zinc/66/23/40/291662340.db2.gz DPMVVABJIOZOIQ-LLVKDONJSA-N 1 2 314.345 2.263 20 70 DEIDLO O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000159429467 197353546 /nfs/dbraw/zinc/35/35/46/197353546.db2.gz JWLLXNLPOABDLQ-CQSZACIVSA-N 1 2 313.401 2.485 20 70 DEIDLO O=C(NCCc1cscn1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000159368696 197348747 /nfs/dbraw/zinc/34/87/47/197348747.db2.gz DNQFDHUSYHFMFZ-LBPRGKRZSA-N 1 2 305.407 2.346 20 70 DEIDLO CCOC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000217183607 402291337 /nfs/dbraw/zinc/29/13/37/402291337.db2.gz BAHHKOVOSFIVRZ-IUODEOHRSA-N 1 2 317.788 2.250 20 70 DEIDLO CCOC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000217183607 402291341 /nfs/dbraw/zinc/29/13/41/402291341.db2.gz BAHHKOVOSFIVRZ-IUODEOHRSA-N 1 2 317.788 2.250 20 70 DEIDLO CCCCCS(=O)(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000217140674 402291350 /nfs/dbraw/zinc/29/13/50/402291350.db2.gz PNIUYLPPFYYHKR-UHFFFAOYSA-N 1 2 310.463 2.324 20 70 DEIDLO CCc1nnc(C[NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)[nH]1 ZINC000160313630 402340294 /nfs/dbraw/zinc/34/02/94/402340294.db2.gz CYIMKERSJCELJO-JTQLQIEISA-N 1 2 320.393 2.244 20 70 DEIDLO CC(C)c1nc(N(CCCO)CC(C)(C)C)nc(N(C)C)[nH+]1 ZINC000160765031 402359716 /nfs/dbraw/zinc/35/97/16/402359716.db2.gz QKSQAGULTPEIRF-UHFFFAOYSA-N 1 2 309.458 2.296 20 70 DEIDLO CC(C)c1nc(N(C)C)nc(N(CCCO)CC(C)(C)C)[nH+]1 ZINC000160765031 402359719 /nfs/dbraw/zinc/35/97/19/402359719.db2.gz QKSQAGULTPEIRF-UHFFFAOYSA-N 1 2 309.458 2.296 20 70 DEIDLO COC(=O)C[N@H+](CCC(=O)c1ccc(C)cc1)C1CCOCC1 ZINC000159918173 402333464 /nfs/dbraw/zinc/33/34/64/402333464.db2.gz KCZBZCVLJXEWAF-UHFFFAOYSA-N 1 2 319.401 2.222 20 70 DEIDLO COC(=O)C[N@@H+](CCC(=O)c1ccc(C)cc1)C1CCOCC1 ZINC000159918173 402333467 /nfs/dbraw/zinc/33/34/67/402333467.db2.gz KCZBZCVLJXEWAF-UHFFFAOYSA-N 1 2 319.401 2.222 20 70 DEIDLO COCCC1(CNC(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)CC1 ZINC000161088892 523036569 /nfs/dbraw/zinc/03/65/69/523036569.db2.gz UHSQEJCYTYRRIS-CYBMUJFWSA-N 1 2 306.410 2.463 20 70 DEIDLO CC[C@@H](C)OCC(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000160927587 539588764 /nfs/dbraw/zinc/58/87/64/539588764.db2.gz BWGOUUKJAYLJEU-CQSZACIVSA-N 1 2 306.406 2.272 20 70 DEIDLO CCN1CCc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc21 ZINC000161351726 539591097 /nfs/dbraw/zinc/59/10/97/539591097.db2.gz FWDIOPCORVKBMN-AWEZNQCLSA-N 1 2 310.401 2.467 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000159672670 186134537 /nfs/dbraw/zinc/13/45/37/186134537.db2.gz RBINZNIPESBYPF-ZIAGYGMSSA-N 1 2 311.447 2.321 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000159672670 186134539 /nfs/dbraw/zinc/13/45/39/186134539.db2.gz RBINZNIPESBYPF-ZIAGYGMSSA-N 1 2 311.447 2.321 20 70 DEIDLO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(F)(F)F)n1 ZINC000159859328 197369179 /nfs/dbraw/zinc/36/91/79/197369179.db2.gz SMNGPGLPTRYIKP-LBPRGKRZSA-N 1 2 301.312 2.205 20 70 DEIDLO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCC(F)(F)F)n1 ZINC000159859328 197369180 /nfs/dbraw/zinc/36/91/80/197369180.db2.gz SMNGPGLPTRYIKP-LBPRGKRZSA-N 1 2 301.312 2.205 20 70 DEIDLO COC(=O)Nc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160119719 291662288 /nfs/dbraw/zinc/66/22/88/291662288.db2.gz DPMVVABJIOZOIQ-NSHDSACASA-N 1 2 314.345 2.263 20 70 DEIDLO COc1cccc2c1CC[C@H]2NC(=O)NCCCn1cc[nH+]c1 ZINC000160278362 291664774 /nfs/dbraw/zinc/66/47/74/291664774.db2.gz MCNSKUBWPHBPLM-OAHLLOKOSA-N 1 2 314.389 2.269 20 70 DEIDLO Cc1cncc(/C=C/C(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000160688250 291669349 /nfs/dbraw/zinc/66/93/49/291669349.db2.gz KCXKTJNBSBKVGP-AATRIKPKSA-N 1 2 306.369 2.410 20 70 DEIDLO CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2ccccc2)c[nH+]1 ZINC000159786942 197364068 /nfs/dbraw/zinc/36/40/68/197364068.db2.gz ZXPUKVXCMPVXGF-KRWDZBQOSA-N 1 2 313.401 2.278 20 70 DEIDLO CC[C@@](C)(NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1nccs1 ZINC000160795621 402360878 /nfs/dbraw/zinc/36/08/78/402360878.db2.gz QVFWORCQWSYNHV-SMDDNHRTSA-N 1 2 307.423 2.353 20 70 DEIDLO Cc1cc(C[C@@H](C)NC(=O)c2cccc(-n3cc[nH+]c3)c2)[nH]n1 ZINC000161167145 402376186 /nfs/dbraw/zinc/37/61/86/402376186.db2.gz SRDCOOOHRCJVIP-GFCCVEGCSA-N 1 2 309.373 2.265 20 70 DEIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1CCCCC1 ZINC000159836892 402331826 /nfs/dbraw/zinc/33/18/26/402331826.db2.gz HPNNPCOHOUSIET-CQSZACIVSA-N 1 2 314.495 2.231 20 70 DEIDLO CC[C@H](C)OCC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000161152902 521750432 /nfs/dbraw/zinc/75/04/32/521750432.db2.gz HCWCBDYGVXRMQD-LBPRGKRZSA-N 1 2 305.353 2.443 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000159673856 526041862 /nfs/dbraw/zinc/04/18/62/526041862.db2.gz VFVKFKWFCDAFBS-CQSZACIVSA-N 1 2 323.458 2.465 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+]([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000159673856 526041871 /nfs/dbraw/zinc/04/18/71/526041871.db2.gz VFVKFKWFCDAFBS-CQSZACIVSA-N 1 2 323.458 2.465 20 70 DEIDLO Cc1cc(F)c(C(=O)NCC(C)(C)[NH+]2CCOCC2)cc1F ZINC000159535482 539582805 /nfs/dbraw/zinc/58/28/05/539582805.db2.gz NBBNATMFEMZTKQ-UHFFFAOYSA-N 1 2 312.360 2.114 20 70 DEIDLO CCOc1ccccc1CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161283617 539590367 /nfs/dbraw/zinc/59/03/67/539590367.db2.gz VQFCKSOZAOCBMC-OAHLLOKOSA-N 1 2 313.401 2.203 20 70 DEIDLO COCC(C)(C)C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000159669503 186133909 /nfs/dbraw/zinc/13/39/09/186133909.db2.gz CGGQUYBHZLDEKV-UHFFFAOYSA-N 1 2 306.406 2.130 20 70 DEIDLO C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160018965 197379937 /nfs/dbraw/zinc/37/99/37/197379937.db2.gz VEDFHQFPYIYUCD-RBSFLKMASA-N 1 2 305.422 2.157 20 70 DEIDLO CC[C@@H](C)OCC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159763881 197362682 /nfs/dbraw/zinc/36/26/82/197362682.db2.gz AZNOKZXZCFDZPB-CQSZACIVSA-N 1 2 306.406 2.272 20 70 DEIDLO C[C@@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@H]1C ZINC000159541667 197361952 /nfs/dbraw/zinc/36/19/52/197361952.db2.gz HDFMGZVIEJTTNK-KBPBESRZSA-N 1 2 318.421 2.001 20 70 DEIDLO CCn1cnnc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000218222515 132550579 /nfs/dbraw/zinc/55/05/79/132550579.db2.gz LMRPEYHSJIJKMG-UHFFFAOYSA-N 1 2 308.769 2.012 20 70 DEIDLO CCn1cnnc1C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000218223684 402295548 /nfs/dbraw/zinc/29/55/48/402295548.db2.gz NFWQZKIVZYKTHL-UHFFFAOYSA-N 1 2 310.785 2.258 20 70 DEIDLO Cc1ccccc1OCCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161434642 402387474 /nfs/dbraw/zinc/38/74/74/402387474.db2.gz VVQWEIRZXXKXQU-OAHLLOKOSA-N 1 2 313.401 2.339 20 70 DEIDLO Fc1ccccc1-c1cnc(C[N@@H+]2CCC3(C2)OCCO3)o1 ZINC000160618541 402354550 /nfs/dbraw/zinc/35/45/50/402354550.db2.gz XVBWLZLSRXEXCR-UHFFFAOYSA-N 1 2 304.321 2.430 20 70 DEIDLO Fc1ccccc1-c1cnc(C[N@H+]2CCC3(C2)OCCO3)o1 ZINC000160618541 402354552 /nfs/dbraw/zinc/35/45/52/402354552.db2.gz XVBWLZLSRXEXCR-UHFFFAOYSA-N 1 2 304.321 2.430 20 70 DEIDLO O=C(NCCc1ccccc1Cl)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160840505 402362456 /nfs/dbraw/zinc/36/24/56/402362456.db2.gz LJTIMGIWAGADTJ-CYBMUJFWSA-N 1 2 303.793 2.458 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cc(-c2ccccc2)on1 ZINC000161168775 402376158 /nfs/dbraw/zinc/37/61/58/402376158.db2.gz BLVXCDGIAOTSKE-UHFFFAOYSA-N 1 2 317.370 2.190 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1cccc(OC(F)F)c1 ZINC000161206156 402377707 /nfs/dbraw/zinc/37/77/07/402377707.db2.gz WLVPCEBUPVUQRK-UHFFFAOYSA-N 1 2 316.329 2.137 20 70 DEIDLO CCO[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161322415 402382588 /nfs/dbraw/zinc/38/25/88/402382588.db2.gz OJGLHSPCGCWFQJ-CYBMUJFWSA-N 1 2 310.825 2.409 20 70 DEIDLO COc1cc(Cl)ccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161495740 402389379 /nfs/dbraw/zinc/38/93/79/402389379.db2.gz VICWVEPYSGWYLT-LLVKDONJSA-N 1 2 319.792 2.424 20 70 DEIDLO CCN(C(=O)CSCC[NH+]1CCOCC1)c1ccccc1 ZINC000160009729 519919533 /nfs/dbraw/zinc/91/95/33/519919533.db2.gz IGTYWDAMDJENBQ-UHFFFAOYSA-N 1 2 308.447 2.105 20 70 DEIDLO CC[N@H+](Cc1c(C)nc2ccccn21)[C@H](C)CS(=O)(=O)CC ZINC000160397043 521275561 /nfs/dbraw/zinc/27/55/61/521275561.db2.gz NVQMFWCBVYZZKV-CYBMUJFWSA-N 1 2 323.462 2.288 20 70 DEIDLO CC[N@@H+](Cc1c(C)nc2ccccn21)[C@H](C)CS(=O)(=O)CC ZINC000160397043 521275568 /nfs/dbraw/zinc/27/55/68/521275568.db2.gz NVQMFWCBVYZZKV-CYBMUJFWSA-N 1 2 323.462 2.288 20 70 DEIDLO CCN(Cc1c(C)[nH+]c2ccccn21)[C@H](C)CS(=O)(=O)CC ZINC000160397043 521275574 /nfs/dbraw/zinc/27/55/74/521275574.db2.gz NVQMFWCBVYZZKV-CYBMUJFWSA-N 1 2 323.462 2.288 20 70 DEIDLO COC(=O)CCCC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000159422265 522955438 /nfs/dbraw/zinc/95/54/38/522955438.db2.gz JPTGDUPRPWLBRQ-CYBMUJFWSA-N 1 2 324.446 2.297 20 70 DEIDLO Fc1ccc(-c2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159759026 526319573 /nfs/dbraw/zinc/31/95/73/526319573.db2.gz ZTOSSMMYNDHNPZ-UHFFFAOYSA-N 1 2 323.393 2.441 20 70 DEIDLO COc1cccc2c1CC[C@@H]2NC(=O)NCCCn1cc[nH+]c1 ZINC000160278231 291664900 /nfs/dbraw/zinc/66/49/00/291664900.db2.gz MCNSKUBWPHBPLM-HNNXBMFYSA-N 1 2 314.389 2.269 20 70 DEIDLO CCCCOC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000160319250 291665164 /nfs/dbraw/zinc/66/51/64/291665164.db2.gz RFBAFYKPCVSNTQ-CYBMUJFWSA-N 1 2 314.426 2.271 20 70 DEIDLO COC(=O)c1coc(C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161275063 291673857 /nfs/dbraw/zinc/67/38/57/291673857.db2.gz UQYPJGUGFYFNQH-GFCCVEGCSA-N 1 2 321.295 2.201 20 70 DEIDLO Cc1ccc(Cl)cc1N1CC[NH+](Cc2cnnn2C)CC1 ZINC000159763500 197362880 /nfs/dbraw/zinc/36/28/80/197362880.db2.gz RSBUNBXXYGQWFG-UHFFFAOYSA-N 1 2 305.813 2.099 20 70 DEIDLO O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160424458 402344825 /nfs/dbraw/zinc/34/48/25/402344825.db2.gz BYXFGCGRUYRJHL-GDBMZVCRSA-N 1 2 318.421 2.187 20 70 DEIDLO O=C(NCCn1cc[nH+]c1)N1CCc2c(Cl)cccc2C1 ZINC000160784747 402360025 /nfs/dbraw/zinc/36/00/25/402360025.db2.gz LHNBTCKAWGLEFQ-UHFFFAOYSA-N 1 2 304.781 2.304 20 70 DEIDLO CCn1cc[nH+]c1CN1CCN(C(=O)C2CCCCC2)CC1 ZINC000160858438 402363008 /nfs/dbraw/zinc/36/30/08/402363008.db2.gz ZETJVAYZARKTEU-UHFFFAOYSA-N 1 2 304.438 2.128 20 70 DEIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncnc2nc[nH]c21 ZINC000159711157 402329079 /nfs/dbraw/zinc/32/90/79/402329079.db2.gz HXRXCEZGVHYSJM-UHFFFAOYSA-N 1 2 319.372 2.234 20 70 DEIDLO CC(C)OC(=O)CCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000160228170 519743521 /nfs/dbraw/zinc/74/35/21/519743521.db2.gz DZWDYEZJVHMYGI-ZDUSSCGKSA-N 1 2 322.409 2.031 20 70 DEIDLO CCc1nnc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)[nH]1 ZINC000160389723 522355932 /nfs/dbraw/zinc/35/59/32/522355932.db2.gz SHEYHLIWBCDFFC-GFCCVEGCSA-N 1 2 313.405 2.345 20 70 DEIDLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@@H](c2ccsc2)O1 ZINC000160188728 524499610 /nfs/dbraw/zinc/49/96/10/524499610.db2.gz MTPCPIGTNXNZFD-JSGCOSHPSA-N 1 2 320.418 2.116 20 70 DEIDLO C[C@H]1CN(C(=O)NCCn2cc[nH+]c2)C[C@H](c2ccsc2)O1 ZINC000160188450 524500451 /nfs/dbraw/zinc/50/04/51/524500451.db2.gz MTPCPIGTNXNZFD-GXTWGEPZSA-N 1 2 320.418 2.116 20 70 DEIDLO O=C(NCCn1cc[nH+]c1)NCC1(c2cccc(F)c2)CC1 ZINC000160797274 526474322 /nfs/dbraw/zinc/47/43/22/526474322.db2.gz IQDJIFUPOYGBCG-UHFFFAOYSA-N 1 2 302.353 2.053 20 70 DEIDLO Cc1[nH+]c2ccccn2c1CN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403307 527176481 /nfs/dbraw/zinc/17/64/81/527176481.db2.gz TZPBJKMKSFPWTQ-GFCCVEGCSA-N 1 2 321.446 2.040 20 70 DEIDLO Cc1nc2ccccn2c1C[N@@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403307 527176487 /nfs/dbraw/zinc/17/64/87/527176487.db2.gz TZPBJKMKSFPWTQ-GFCCVEGCSA-N 1 2 321.446 2.040 20 70 DEIDLO Cc1nc2ccccn2c1C[N@H+]([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000160403307 527176492 /nfs/dbraw/zinc/17/64/92/527176492.db2.gz TZPBJKMKSFPWTQ-GFCCVEGCSA-N 1 2 321.446 2.040 20 70 DEIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)c2cccc(=O)n2C)c1 ZINC000160322365 527424306 /nfs/dbraw/zinc/42/43/06/527424306.db2.gz TYSRVAIWVRYBNF-UHFFFAOYSA-N 1 2 308.341 2.038 20 70 DEIDLO CCOC(=O)C[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000159517324 355961077 /nfs/dbraw/zinc/96/10/77/355961077.db2.gz VGOPGMZGXIKYSY-OAHLLOKOSA-N 1 2 323.433 2.219 20 70 DEIDLO CCOC(=O)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000159517324 355961078 /nfs/dbraw/zinc/96/10/78/355961078.db2.gz VGOPGMZGXIKYSY-OAHLLOKOSA-N 1 2 323.433 2.219 20 70 DEIDLO COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160094598 197385127 /nfs/dbraw/zinc/38/51/27/197385127.db2.gz KAGLGPJUJCUJHC-RYUDHWBXSA-N 1 2 317.364 2.471 20 70 DEIDLO C[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160079051 197384879 /nfs/dbraw/zinc/38/48/79/197384879.db2.gz MHZXFNJKYWRVQX-ZBFHGGJFSA-N 1 2 302.422 2.097 20 70 DEIDLO C[C@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@H]1C ZINC000159541897 197361417 /nfs/dbraw/zinc/36/14/17/197361417.db2.gz HDFMGZVIEJTTNK-UONOGXRCSA-N 1 2 318.421 2.001 20 70 DEIDLO C[C@H]1C(=O)NCC[N@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160356127 402342350 /nfs/dbraw/zinc/34/23/50/402342350.db2.gz ITIOSPLXPRJNEO-VIFPVBQESA-N 1 2 303.189 2.193 20 70 DEIDLO C[C@H]1C(=O)NCC[N@@H+]1CCOc1cc(Cl)cc(Cl)c1 ZINC000160356127 402342351 /nfs/dbraw/zinc/34/23/51/402342351.db2.gz ITIOSPLXPRJNEO-VIFPVBQESA-N 1 2 303.189 2.193 20 70 DEIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(Cl)nc1 ZINC000161441329 402387723 /nfs/dbraw/zinc/38/77/23/402387723.db2.gz ADLJCKMBHRWOES-LBPRGKRZSA-N 1 2 302.765 2.139 20 70 DEIDLO CC(C)n1ccnc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000160726918 402358724 /nfs/dbraw/zinc/35/87/24/402358724.db2.gz YFCYLZJGFPHSOW-UHFFFAOYSA-N 1 2 300.406 2.342 20 70 DEIDLO CC(C)n1ccnc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000160726918 402358727 /nfs/dbraw/zinc/35/87/27/402358727.db2.gz YFCYLZJGFPHSOW-UHFFFAOYSA-N 1 2 300.406 2.342 20 70 DEIDLO CCn1ncc2ccc(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cc21 ZINC000160893643 402364720 /nfs/dbraw/zinc/36/47/20/402364720.db2.gz WSMUXIOBXMZBMA-LBPRGKRZSA-N 1 2 309.373 2.454 20 70 DEIDLO CCC1(CNC(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)CCCC1 ZINC000161111902 402373273 /nfs/dbraw/zinc/37/32/73/402373273.db2.gz JKKRSKWBGHVHRU-HUUCEWRRSA-N 1 2 311.470 2.365 20 70 DEIDLO CNC(=O)C(C)(C)CNc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000161111300 402373399 /nfs/dbraw/zinc/37/33/99/402373399.db2.gz OUGJHZHMISVJFB-UHFFFAOYSA-N 1 2 313.405 2.340 20 70 DEIDLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161387985 402385533 /nfs/dbraw/zinc/38/55/33/402385533.db2.gz NCDUGQXYGFFYOO-CYBMUJFWSA-N 1 2 324.384 2.359 20 70 DEIDLO C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)N1CCc2ccccc21 ZINC000159664621 402327677 /nfs/dbraw/zinc/32/76/77/402327677.db2.gz ADVBXLCMFGWUFV-GDBMZVCRSA-N 1 2 324.428 2.013 20 70 DEIDLO CCC(CC)c1cc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)on1 ZINC000160205494 402338055 /nfs/dbraw/zinc/33/80/55/402338055.db2.gz JJBNRPNYKFNQNO-GFCCVEGCSA-N 1 2 309.410 2.029 20 70 DEIDLO COCc1cc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000161491328 402389501 /nfs/dbraw/zinc/38/95/01/402389501.db2.gz TVZZYAGOIOVCFP-CYBMUJFWSA-N 1 2 317.364 2.047 20 70 DEIDLO CC[N@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 ZINC000161126117 520307720 /nfs/dbraw/zinc/30/77/20/520307720.db2.gz ULJXKDSURQJQBO-HOCLYGCPSA-N 1 2 306.454 2.279 20 70 DEIDLO CC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)Cc1cnn(C)c1 ZINC000161126117 520307723 /nfs/dbraw/zinc/30/77/23/520307723.db2.gz ULJXKDSURQJQBO-HOCLYGCPSA-N 1 2 306.454 2.279 20 70 DEIDLO CN(C)c1cccc(C[N@H+](C)Cc2nnnn2-c2ccccc2)c1 ZINC000159830771 523615498 /nfs/dbraw/zinc/61/54/98/523615498.db2.gz DQOXSEGKAWERIR-UHFFFAOYSA-N 1 2 322.416 2.360 20 70 DEIDLO CN(C)c1cccc(C[N@@H+](C)Cc2nnnn2-c2ccccc2)c1 ZINC000159830771 523615508 /nfs/dbraw/zinc/61/55/08/523615508.db2.gz DQOXSEGKAWERIR-UHFFFAOYSA-N 1 2 322.416 2.360 20 70 DEIDLO COCCN(Cc1ccc(C)o1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160264418 523745985 /nfs/dbraw/zinc/74/59/85/523745985.db2.gz IDWDBABLUBCRLL-ZDUSSCGKSA-N 1 2 320.393 2.031 20 70 DEIDLO O=C(c1c(F)cccc1F)N1CC[NH+](CCOCC2CC2)CC1 ZINC000160407982 526577645 /nfs/dbraw/zinc/57/76/45/526577645.db2.gz BVLPYKYNXXFDMO-UHFFFAOYSA-N 1 2 324.371 2.149 20 70 DEIDLO CCc1nnc(C[N@H+](Cc2ccc(O)c(OC)c2)C2CC2)[nH]1 ZINC000159611944 186130765 /nfs/dbraw/zinc/13/07/65/186130765.db2.gz SDNBMCACBSVVSR-UHFFFAOYSA-N 1 2 302.378 2.246 20 70 DEIDLO CCc1nnc(C[N@@H+](Cc2ccc(O)c(OC)c2)C2CC2)[nH]1 ZINC000159611944 186130766 /nfs/dbraw/zinc/13/07/66/186130766.db2.gz SDNBMCACBSVVSR-UHFFFAOYSA-N 1 2 302.378 2.246 20 70 DEIDLO Cn1cc[nH+]c1CS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000161166205 197471732 /nfs/dbraw/zinc/47/17/32/197471732.db2.gz YOUXKXYOAXYGBS-UHFFFAOYSA-N 1 2 302.758 2.328 20 70 DEIDLO CCC(CC)n1nccc1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000160582574 402352599 /nfs/dbraw/zinc/35/25/99/402352599.db2.gz KEDHJYSQEHCNJS-UHFFFAOYSA-N 1 2 322.453 2.085 20 70 DEIDLO CCC[N@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161118398 402373243 /nfs/dbraw/zinc/37/32/43/402373243.db2.gz OCIOBHXVCAGZHY-CQSZACIVSA-N 1 2 313.467 2.037 20 70 DEIDLO CCC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000161118398 402373247 /nfs/dbraw/zinc/37/32/47/402373247.db2.gz OCIOBHXVCAGZHY-CQSZACIVSA-N 1 2 313.467 2.037 20 70 DEIDLO CCCN(CCC)C(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161494083 402389181 /nfs/dbraw/zinc/38/91/81/402389181.db2.gz XVLRXOXUDFEDFG-AWEZNQCLSA-N 1 2 324.387 2.270 20 70 DEIDLO CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)CS(C)(=O)=O ZINC000159657514 402327536 /nfs/dbraw/zinc/32/75/36/402327536.db2.gz AJEJUUFJNQTRBV-CQSZACIVSA-N 1 2 311.447 2.323 20 70 DEIDLO CC[N@@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)CS(C)(=O)=O ZINC000159657514 402327540 /nfs/dbraw/zinc/32/75/40/402327540.db2.gz AJEJUUFJNQTRBV-CQSZACIVSA-N 1 2 311.447 2.323 20 70 DEIDLO O=C(NC[C@@H]1CC=CCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159708357 402329151 /nfs/dbraw/zinc/32/91/51/402329151.db2.gz PIOQOWBSZGYDBA-MRXNPFEDSA-N 1 2 314.433 2.265 20 70 DEIDLO CC(C)n1cc([C@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cn1 ZINC000159847413 402331977 /nfs/dbraw/zinc/33/19/77/402331977.db2.gz FHIXOHLNPBQOTE-NHYWBVRUSA-N 1 2 304.369 2.480 20 70 DEIDLO CO[C@@H](C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000160001152 402334829 /nfs/dbraw/zinc/33/48/29/402334829.db2.gz MCHBPVSTPHKPFD-NSHDSACASA-N 1 2 302.465 2.416 20 70 DEIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cn(C)nc1C ZINC000160230321 402338789 /nfs/dbraw/zinc/33/87/89/402338789.db2.gz JLQIYIXGAYLCQO-UHFFFAOYSA-N 1 2 318.396 2.006 20 70 DEIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cn(C)nc1C ZINC000160230321 402338793 /nfs/dbraw/zinc/33/87/93/402338793.db2.gz JLQIYIXGAYLCQO-UHFFFAOYSA-N 1 2 318.396 2.006 20 70 DEIDLO CCCOc1cccc(CC(=O)NCCCn2cc[nH+]c2)c1 ZINC000160527941 520448133 /nfs/dbraw/zinc/44/81/33/520448133.db2.gz RHMXOJPUSQPGKQ-UHFFFAOYSA-N 1 2 301.390 2.421 20 70 DEIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159754210 186139649 /nfs/dbraw/zinc/13/96/49/186139649.db2.gz LXQMKFRYYSZYJR-XJKSGUPXSA-N 1 2 315.417 2.303 20 70 DEIDLO CCOC(=O)C[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000159517178 355961162 /nfs/dbraw/zinc/96/11/62/355961162.db2.gz VGOPGMZGXIKYSY-HNNXBMFYSA-N 1 2 323.433 2.219 20 70 DEIDLO CCOC(=O)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000159517178 355961164 /nfs/dbraw/zinc/96/11/64/355961164.db2.gz VGOPGMZGXIKYSY-HNNXBMFYSA-N 1 2 323.433 2.219 20 70 DEIDLO Cc1ccc(C(=O)N(C)Cc2[nH+]ccn2C)c(Br)n1 ZINC000160162528 197389366 /nfs/dbraw/zinc/38/93/66/197389366.db2.gz KWIGSQMWEQATGM-UHFFFAOYSA-N 1 2 323.194 2.158 20 70 DEIDLO Cn1ccnc1-c1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160121813 197386883 /nfs/dbraw/zinc/38/68/83/197386883.db2.gz PSGGMJRFNSIWTR-CQSZACIVSA-N 1 2 321.384 2.485 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)n(C)n1 ZINC000160092919 197385215 /nfs/dbraw/zinc/38/52/15/197385215.db2.gz YSDVVKCMTJJULS-HNNXBMFYSA-N 1 2 313.405 2.208 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)n(C)n1 ZINC000160092919 197385217 /nfs/dbraw/zinc/38/52/17/197385217.db2.gz YSDVVKCMTJJULS-HNNXBMFYSA-N 1 2 313.405 2.208 20 70 DEIDLO CC[N@H+](CCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159952851 197375799 /nfs/dbraw/zinc/37/57/99/197375799.db2.gz ODGWCAAVKCBKHR-SFHVURJKSA-N 1 2 319.449 2.459 20 70 DEIDLO CC[N@@H+](CCCNC(=O)N1CCC[C@](C)(O)C1)c1ccccc1 ZINC000159952851 197375801 /nfs/dbraw/zinc/37/58/01/197375801.db2.gz ODGWCAAVKCBKHR-SFHVURJKSA-N 1 2 319.449 2.459 20 70 DEIDLO CC[N@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160547265 402350718 /nfs/dbraw/zinc/35/07/18/402350718.db2.gz RIOHWEIUNTYKQM-NSHDSACASA-N 1 2 305.802 2.488 20 70 DEIDLO CC[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000160547265 402350719 /nfs/dbraw/zinc/35/07/19/402350719.db2.gz RIOHWEIUNTYKQM-NSHDSACASA-N 1 2 305.802 2.488 20 70 DEIDLO Cn1cnnc1C[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000160758656 402359835 /nfs/dbraw/zinc/35/98/35/402359835.db2.gz PNKVROCAOIWJIE-UHFFFAOYSA-N 1 2 300.284 2.346 20 70 DEIDLO Cn1cnnc1C[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000160758656 402359837 /nfs/dbraw/zinc/35/98/37/402359837.db2.gz PNKVROCAOIWJIE-UHFFFAOYSA-N 1 2 300.284 2.346 20 70 DEIDLO CCC(CC)(CNc1nc(C(C)C)[nH+]c(N(C)C)n1)C(=O)OC ZINC000160822474 402361876 /nfs/dbraw/zinc/36/18/76/402361876.db2.gz XZKKYMJDRTVNAF-UHFFFAOYSA-N 1 2 323.441 2.452 20 70 DEIDLO O=C(Nc1nc2c(s1)C(=O)CCC2)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161132764 402374108 /nfs/dbraw/zinc/37/41/08/402374108.db2.gz XGXGXVWPDAOQFA-SECBINFHSA-N 1 2 316.386 2.060 20 70 DEIDLO C[C@@H](CNC(=O)NCC1CCC(C)(C)CC1)[NH+]1CCOCC1 ZINC000159659850 402327573 /nfs/dbraw/zinc/32/75/73/402327573.db2.gz PRYQHMAZPVWFHJ-AWEZNQCLSA-N 1 2 311.470 2.223 20 70 DEIDLO O=C1[C@@H](SCC[NH+]2CCOCC2)CCCN1c1ccccc1 ZINC000159807766 402331232 /nfs/dbraw/zinc/33/12/32/402331232.db2.gz CMVLPFLNVCCPQM-INIZCTEOSA-N 1 2 320.458 2.247 20 70 DEIDLO O=C(NCCCNc1cccc[nH+]1)[C@@H]1OCCc2ccccc21 ZINC000160435307 527678000 /nfs/dbraw/zinc/67/80/00/527678000.db2.gz FQWCBSWGRZGLNN-QGZVFWFLSA-N 1 2 311.385 2.314 20 70 DEIDLO C[N@H+](CC1CC1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388083 282176644 /nfs/dbraw/zinc/17/66/44/282176644.db2.gz GJFWOZPAGLAQNH-LBPRGKRZSA-N 1 2 315.186 2.456 20 70 DEIDLO C[N@@H+](CC1CC1)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000159388083 282176645 /nfs/dbraw/zinc/17/66/45/282176645.db2.gz GJFWOZPAGLAQNH-LBPRGKRZSA-N 1 2 315.186 2.456 20 70 DEIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159553303 186126781 /nfs/dbraw/zinc/12/67/81/186126781.db2.gz VWYLEAGTJJYBFF-BBRMVZONSA-N 1 2 315.417 2.303 20 70 DEIDLO COC(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151341 197390021 /nfs/dbraw/zinc/39/00/21/197390021.db2.gz ADUIJIFTSCXJBM-LBPRGKRZSA-N 1 2 319.336 2.228 20 70 DEIDLO COC(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160151341 197390023 /nfs/dbraw/zinc/39/00/23/197390023.db2.gz ADUIJIFTSCXJBM-LBPRGKRZSA-N 1 2 319.336 2.228 20 70 DEIDLO Cc1cc(C)cc(-c2nnc(NC(=O)[C@H]3CSC[NH2+]3)s2)c1 ZINC000160115399 197387467 /nfs/dbraw/zinc/38/74/67/197387467.db2.gz VZKFAWVELFEWPJ-LLVKDONJSA-N 1 2 320.443 2.423 20 70 DEIDLO COc1ccc(F)cc1[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160094472 197384957 /nfs/dbraw/zinc/38/49/57/197384957.db2.gz KAGLGPJUJCUJHC-VXGBXAGGSA-N 1 2 317.364 2.471 20 70 DEIDLO Cc1cc(NC(=O)c2cc(N3CCNC3=O)ccc2F)cc[nH+]1 ZINC000159924097 197373908 /nfs/dbraw/zinc/37/39/08/197373908.db2.gz HTUNHEUXARPZLV-UHFFFAOYSA-N 1 2 314.320 2.311 20 70 DEIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)N(C)C1CCCCC1 ZINC000159836778 291659981 /nfs/dbraw/zinc/65/99/81/291659981.db2.gz HPNNPCOHOUSIET-AWEZNQCLSA-N 1 2 314.495 2.231 20 70 DEIDLO C[C@H]1CCCC[C@H]1N(C)C(=O)CSCC[NH+]1CCOCC1 ZINC000160024218 291661768 /nfs/dbraw/zinc/66/17/68/291661768.db2.gz QQUUMCXMQQAEFE-LSDHHAIUSA-N 1 2 314.495 2.089 20 70 DEIDLO c1ccc(Cc2nc(CSCC[NH+]3CCOCC3)no2)cc1 ZINC000160032627 291661878 /nfs/dbraw/zinc/66/18/78/291661878.db2.gz YOCPQBUMZFGWOA-UHFFFAOYSA-N 1 2 319.430 2.226 20 70 DEIDLO CC(C)CN(CC(C)C)C(=O)CSCC[NH+]1CCOCC1 ZINC000159880852 291660692 /nfs/dbraw/zinc/66/06/92/291660692.db2.gz IEGWNLKINRGSRN-UHFFFAOYSA-N 1 2 316.511 2.192 20 70 DEIDLO C[C@H]1OCCN(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H]1C ZINC000159541770 197361587 /nfs/dbraw/zinc/36/15/87/197361587.db2.gz HDFMGZVIEJTTNK-ZIAGYGMSSA-N 1 2 318.421 2.001 20 70 DEIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000159413424 197351445 /nfs/dbraw/zinc/35/14/45/197351445.db2.gz WPMSRHCAWIVWJD-GFCCVEGCSA-N 1 2 317.414 2.368 20 70 DEIDLO O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160344380 402341551 /nfs/dbraw/zinc/34/15/51/402341551.db2.gz OOLUFHBNUMPWRC-LLVKDONJSA-N 1 2 309.329 2.134 20 70 DEIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160424214 402344524 /nfs/dbraw/zinc/34/45/24/402344524.db2.gz BYXFGCGRUYRJHL-ZBFHGGJFSA-N 1 2 318.421 2.187 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)on1 ZINC000160436673 402345169 /nfs/dbraw/zinc/34/51/69/402345169.db2.gz LUHIDGBWICEIMK-AWEZNQCLSA-N 1 2 300.362 2.462 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)on1 ZINC000160436673 402345173 /nfs/dbraw/zinc/34/51/73/402345173.db2.gz LUHIDGBWICEIMK-AWEZNQCLSA-N 1 2 300.362 2.462 20 70 DEIDLO CC[N@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160536927 402349942 /nfs/dbraw/zinc/34/99/42/402349942.db2.gz CHKXVOJNXOQJFR-LLVKDONJSA-N 1 2 302.465 2.276 20 70 DEIDLO CC[N@@H+](Cc1cnc(C(C)C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000160536927 402349945 /nfs/dbraw/zinc/34/99/45/402349945.db2.gz CHKXVOJNXOQJFR-LLVKDONJSA-N 1 2 302.465 2.276 20 70 DEIDLO CC1(C)CCC[C@@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160609613 402353852 /nfs/dbraw/zinc/35/38/52/402353852.db2.gz UXVKBWTZILNAHM-INIZCTEOSA-N 1 2 316.449 2.488 20 70 DEIDLO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160706250 402358003 /nfs/dbraw/zinc/35/80/03/402358003.db2.gz BBJJWLSAQVLNTI-XJKCOSOUSA-N 1 2 309.410 2.294 20 70 DEIDLO CCO[C@H](C)c1noc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)n1 ZINC000160706250 402358006 /nfs/dbraw/zinc/35/80/06/402358006.db2.gz BBJJWLSAQVLNTI-XJKCOSOUSA-N 1 2 309.410 2.294 20 70 DEIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(OC2CCCC2)CC1 ZINC000161089409 402371968 /nfs/dbraw/zinc/37/19/68/402371968.db2.gz UGQRYVQQKATGFM-CQSZACIVSA-N 1 2 317.433 2.396 20 70 DEIDLO COC[C@@H](O)CCNC(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000161474658 402388621 /nfs/dbraw/zinc/38/86/21/402388621.db2.gz VQEMHNONGWAECL-AWEZNQCLSA-N 1 2 316.357 2.001 20 70 DEIDLO O=C(Nc1ccc2c(c1)CCCC(=O)N2)[C@H]1CCn2cc[nH+]c2C1 ZINC000161388107 402385683 /nfs/dbraw/zinc/38/56/83/402385683.db2.gz NCDUGQXYGFFYOO-ZDUSSCGKSA-N 1 2 324.384 2.359 20 70 DEIDLO CCN(C(=O)[C@H](C)SCC[NH+]1CCOCC1)c1ccccc1 ZINC000160009443 520043988 /nfs/dbraw/zinc/04/39/88/520043988.db2.gz GIADQPHLNHKLRQ-HNNXBMFYSA-N 1 2 322.474 2.493 20 70 DEIDLO CCCOC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000160388500 520216933 /nfs/dbraw/zinc/21/69/33/520216933.db2.gz KGQMAIJAPJCARC-LBPRGKRZSA-N 1 2 322.405 2.124 20 70 DEIDLO Cc1ccc(C(=O)CC[N@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000161012839 526042429 /nfs/dbraw/zinc/04/24/29/526042429.db2.gz FAHAPKABIPYGIB-UHFFFAOYSA-N 1 2 309.431 2.077 20 70 DEIDLO Cc1ccc(C(=O)CC[N@@H+](CCS(C)(=O)=O)C2CC2)cc1 ZINC000161012839 526042437 /nfs/dbraw/zinc/04/24/37/526042437.db2.gz FAHAPKABIPYGIB-UHFFFAOYSA-N 1 2 309.431 2.077 20 70 DEIDLO COc1ccc(Cl)cc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160068322 197383371 /nfs/dbraw/zinc/38/33/71/197383371.db2.gz VREQNSQUASDQKY-NSHDSACASA-N 1 2 319.792 2.424 20 70 DEIDLO CCN(CC)c1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000160064421 197382529 /nfs/dbraw/zinc/38/25/29/197382529.db2.gz DKYZANFNLMSMJN-CYBMUJFWSA-N 1 2 313.405 2.325 20 70 DEIDLO Cc1csc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)n1 ZINC000159893188 197371852 /nfs/dbraw/zinc/37/18/52/197371852.db2.gz VRNXBMYFEFPHBJ-LLVKDONJSA-N 1 2 303.391 2.247 20 70 DEIDLO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C)ncn3)CC2)c1 ZINC000161256523 291673876 /nfs/dbraw/zinc/67/38/76/291673876.db2.gz ALZDNIBBAXVMRV-UHFFFAOYSA-N 1 2 310.401 2.051 20 70 DEIDLO C[C@@H]1C[C@@H]1c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)o1 ZINC000161005903 402368543 /nfs/dbraw/zinc/36/85/43/402368543.db2.gz XWMWCXOFZXTWFX-KMFMINBZSA-N 1 2 318.417 2.226 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000161102853 402372626 /nfs/dbraw/zinc/37/26/26/402372626.db2.gz QADYUGFUWBPIFC-LBPRGKRZSA-N 1 2 304.369 2.408 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000161102853 402372630 /nfs/dbraw/zinc/37/26/30/402372630.db2.gz QADYUGFUWBPIFC-LBPRGKRZSA-N 1 2 304.369 2.408 20 70 DEIDLO O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](Nc2ccccc2)C1 ZINC000161155466 402375291 /nfs/dbraw/zinc/37/52/91/402375291.db2.gz ZQSFYTUFZUJBSJ-GDBMZVCRSA-N 1 2 310.401 2.159 20 70 DEIDLO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1c(CC)nn(C)c1CC ZINC000161286003 402380825 /nfs/dbraw/zinc/38/08/25/402380825.db2.gz XGUKYSBGWDDGCT-INIZCTEOSA-N 1 2 307.438 2.463 20 70 DEIDLO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1c(CC)nn(C)c1CC ZINC000161286003 402380829 /nfs/dbraw/zinc/38/08/29/402380829.db2.gz XGUKYSBGWDDGCT-INIZCTEOSA-N 1 2 307.438 2.463 20 70 DEIDLO CC(C)N(C(=O)CSCC[NH+]1CCOCC1)C1CCCC1 ZINC000159779258 402331107 /nfs/dbraw/zinc/33/11/07/402331107.db2.gz JUKCVVQXWKSTOK-UHFFFAOYSA-N 1 2 314.495 2.231 20 70 DEIDLO Cc1nc(CN2CC[NH+](Cc3ccc(C)cn3)CC2)oc1C ZINC000159877736 402333113 /nfs/dbraw/zinc/33/31/13/402333113.db2.gz XDEWGCQAEGYFKF-UHFFFAOYSA-N 1 2 300.406 2.313 20 70 DEIDLO Cn1cc[nH+]c1CN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000160068776 402335787 /nfs/dbraw/zinc/33/57/87/402335787.db2.gz JYUWBGWPQCSHRT-UHFFFAOYSA-N 1 2 318.465 2.281 20 70 DEIDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(C)nc1C ZINC000160240220 520355427 /nfs/dbraw/zinc/35/54/27/520355427.db2.gz HPONQWKRRCVXLH-UHFFFAOYSA-N 1 2 322.359 2.467 20 70 DEIDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cn(C)nc1C ZINC000160240220 520355435 /nfs/dbraw/zinc/35/54/35/520355435.db2.gz HPONQWKRRCVXLH-UHFFFAOYSA-N 1 2 322.359 2.467 20 70 DEIDLO CN(Cc1ccccc1F)C(=O)C[N@H+](C)Cc1cccnc1 ZINC000161198372 522424956 /nfs/dbraw/zinc/42/49/56/522424956.db2.gz RDGSEEZEHIQQPJ-UHFFFAOYSA-N 1 2 301.365 2.311 20 70 DEIDLO CN(Cc1ccccc1F)C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000161198372 522424968 /nfs/dbraw/zinc/42/49/68/522424968.db2.gz RDGSEEZEHIQQPJ-UHFFFAOYSA-N 1 2 301.365 2.311 20 70 DEIDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)Cc1cccnc1 ZINC000160299563 524191251 /nfs/dbraw/zinc/19/12/51/524191251.db2.gz FBUPKJXOISQZQQ-AWEZNQCLSA-N 1 2 315.392 2.400 20 70 DEIDLO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)Cc1cccnc1 ZINC000160299563 524191260 /nfs/dbraw/zinc/19/12/60/524191260.db2.gz FBUPKJXOISQZQQ-AWEZNQCLSA-N 1 2 315.392 2.400 20 70 DEIDLO CC(C)OC1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000159573467 539583019 /nfs/dbraw/zinc/58/30/19/539583019.db2.gz LTIYBVBJZMHKKV-HLIUYOAVSA-N 1 2 305.422 2.298 20 70 DEIDLO COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000160094722 197385096 /nfs/dbraw/zinc/38/50/96/197385096.db2.gz KAGLGPJUJCUJHC-NEPJUHHUSA-N 1 2 317.364 2.471 20 70 DEIDLO CC(C)CCC[C@H](C)NC(=O)CSCC[NH+]1CCOCC1 ZINC000159875809 291660590 /nfs/dbraw/zinc/66/05/90/291660590.db2.gz HQDYFFGRGIKPHV-HNNXBMFYSA-N 1 2 316.511 2.383 20 70 DEIDLO CC(C)N(C(=O)[C@@H](C)SCC[NH+]1CCOCC1)C(C)C ZINC000159874036 197370244 /nfs/dbraw/zinc/37/02/44/197370244.db2.gz JITHLSQLLWZZJV-CQSZACIVSA-N 1 2 302.484 2.086 20 70 DEIDLO c1c(C[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc2ncccn12 ZINC000159433490 402323386 /nfs/dbraw/zinc/32/33/86/402323386.db2.gz XCBWAYHGGXTFSN-IBGZPJMESA-N 1 2 320.396 2.403 20 70 DEIDLO c1c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)nc2ncccn12 ZINC000159433490 402323388 /nfs/dbraw/zinc/32/33/88/402323388.db2.gz XCBWAYHGGXTFSN-IBGZPJMESA-N 1 2 320.396 2.403 20 70 DEIDLO COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160281011 402339794 /nfs/dbraw/zinc/33/97/94/402339794.db2.gz ZCWFZXCARDZBDO-WFASDCNBSA-N 1 2 314.389 2.267 20 70 DEIDLO COc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000160280815 402340086 /nfs/dbraw/zinc/34/00/86/402340086.db2.gz ZCWFZXCARDZBDO-IUODEOHRSA-N 1 2 314.389 2.267 20 70 DEIDLO Cc1cc(NCCCNC(=O)C(C)C)nc(-c2cccnc2)[nH+]1 ZINC000161431284 402386906 /nfs/dbraw/zinc/38/69/06/402386906.db2.gz KIVUUAJWQVRJRK-UHFFFAOYSA-N 1 2 313.405 2.421 20 70 DEIDLO O=C(N[C@H]1CCO[C@H](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160424348 402344566 /nfs/dbraw/zinc/34/45/66/402344566.db2.gz BYXFGCGRUYRJHL-HOCLYGCPSA-N 1 2 318.421 2.187 20 70 DEIDLO O=C(N[C@H]1CCO[C@@H](C2CC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000160424590 402344916 /nfs/dbraw/zinc/34/49/16/402344916.db2.gz BYXFGCGRUYRJHL-GOEBONIOSA-N 1 2 318.421 2.187 20 70 DEIDLO CCOC(=O)C[C@H](C)NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000160642127 402354899 /nfs/dbraw/zinc/35/48/99/402354899.db2.gz NNMGTDZWRZNKTG-ZDUSSCGKSA-N 1 2 315.373 2.003 20 70 DEIDLO O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000160652063 402355279 /nfs/dbraw/zinc/35/52/79/402355279.db2.gz VWSZLSDOXPEZHT-KFWWJZLASA-N 1 2 318.421 2.256 20 70 DEIDLO O=C(C[C@@H]1COC(=O)C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160831892 402362005 /nfs/dbraw/zinc/36/20/05/402362005.db2.gz FZSYWSSUQQNWEV-NSHDSACASA-N 1 2 323.418 2.021 20 70 DEIDLO O=C([C@H]1CCCO1)N1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000160978630 402368198 /nfs/dbraw/zinc/36/81/98/402368198.db2.gz ZIZYIWVKTXDBPS-QGZVFWFLSA-N 1 2 314.385 2.256 20 70 DEIDLO Cc1nn(C)c(C)c1C[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000161056575 402370728 /nfs/dbraw/zinc/37/07/28/402370728.db2.gz AQGURFUYNMBEEB-UHFFFAOYSA-N 1 2 322.359 2.386 20 70 DEIDLO Cc1nn(C)c(C)c1C[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000161056575 402370729 /nfs/dbraw/zinc/37/07/29/402370729.db2.gz AQGURFUYNMBEEB-UHFFFAOYSA-N 1 2 322.359 2.386 20 70 DEIDLO CCn1c(C)cc(C(=O)CSCC[NH+]2CCOCC2)c1C ZINC000159804347 402330906 /nfs/dbraw/zinc/33/09/06/402330906.db2.gz WMLXYPAOBIZBEB-UHFFFAOYSA-N 1 2 310.463 2.373 20 70 DEIDLO CC[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159619022 522291506 /nfs/dbraw/zinc/29/15/06/522291506.db2.gz KXGPDXBPLFGDIY-HUUCEWRRSA-N 1 2 304.438 2.343 20 70 DEIDLO c1ccc(Cc2noc(CSCC[NH+]3CCOCC3)n2)cc1 ZINC000159894377 526478902 /nfs/dbraw/zinc/47/89/02/526478902.db2.gz QWPWVWPUGZKPNG-UHFFFAOYSA-N 1 2 319.430 2.226 20 70 DEIDLO Cc1cccc(N2CC[NH+](CCCCS(C)(=O)=O)CC2)c1C ZINC000161095552 539589558 /nfs/dbraw/zinc/58/95/58/539589558.db2.gz WCIITUIQIWZHOJ-UHFFFAOYSA-N 1 2 324.490 2.250 20 70 DEIDLO COc1c(F)cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000160208218 197393052 /nfs/dbraw/zinc/39/30/52/197393052.db2.gz ULNOWHDCYXGESZ-VIFPVBQESA-N 1 2 307.300 2.371 20 70 DEIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2ncccc2O)CC1 ZINC000159413315 197351817 /nfs/dbraw/zinc/35/18/17/197351817.db2.gz WPMSRHCAWIVWJD-LBPRGKRZSA-N 1 2 317.414 2.368 20 70 DEIDLO COC(=O)C1([N@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)CCCC1 ZINC000159439356 402323482 /nfs/dbraw/zinc/32/34/82/402323482.db2.gz OUBUGXRBPVFYSA-KGLIPLIRSA-N 1 2 310.438 2.099 20 70 DEIDLO COC(=O)C1([N@@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)CCCC1 ZINC000159439356 402323483 /nfs/dbraw/zinc/32/34/83/402323483.db2.gz OUBUGXRBPVFYSA-KGLIPLIRSA-N 1 2 310.438 2.099 20 70 DEIDLO O=C(Nc1cccc(-c2nnco2)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160344517 402341502 /nfs/dbraw/zinc/34/15/02/402341502.db2.gz OOLUFHBNUMPWRC-NSHDSACASA-N 1 2 309.329 2.134 20 70 DEIDLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000160445544 402346128 /nfs/dbraw/zinc/34/61/28/402346128.db2.gz GSWNXFBIPQUSDS-CQSZACIVSA-N 1 2 300.362 2.462 20 70 DEIDLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(C)n2)no1 ZINC000160445544 402346131 /nfs/dbraw/zinc/34/61/31/402346131.db2.gz GSWNXFBIPQUSDS-CQSZACIVSA-N 1 2 300.362 2.462 20 70 DEIDLO CCc1cc(=O)[nH]c(C[NH+]2CCN(c3cccc(C)c3)CC2)n1 ZINC000160600156 402353267 /nfs/dbraw/zinc/35/32/67/402353267.db2.gz RWRSZRQKNRYPRN-UHFFFAOYSA-N 1 2 312.417 2.375 20 70 DEIDLO CCCn1c(C)nnc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000160905314 402364765 /nfs/dbraw/zinc/36/47/65/402364765.db2.gz RVMIWXLBNQSYHC-INIZCTEOSA-N 1 2 322.453 2.157 20 70 DEIDLO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663748 402327610 /nfs/dbraw/zinc/32/76/10/402327610.db2.gz GPALLVHADADFGO-DNVCBOLYSA-N 1 2 316.445 2.321 20 70 DEIDLO CC(C)CNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159663748 402327613 /nfs/dbraw/zinc/32/76/13/402327613.db2.gz GPALLVHADADFGO-DNVCBOLYSA-N 1 2 316.445 2.321 20 70 DEIDLO CCC(C)(C)NC(=O)[C@H](SCC[NH+]1CCOCC1)C(C)C ZINC000159914116 402333534 /nfs/dbraw/zinc/33/35/34/402333534.db2.gz VGVOYJWLFCKIMC-CQSZACIVSA-N 1 2 316.511 2.381 20 70 DEIDLO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159490785 525892605 /nfs/dbraw/zinc/89/26/05/525892605.db2.gz FNNGDLFEXSIBNJ-KBPBESRZSA-N 1 2 322.474 2.387 20 70 DEIDLO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000159491065 525896782 /nfs/dbraw/zinc/89/67/82/525896782.db2.gz FNNGDLFEXSIBNJ-UONOGXRCSA-N 1 2 322.474 2.387 20 70 DEIDLO O=C(COCC1CC1)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161410713 526926933 /nfs/dbraw/zinc/92/69/33/526926933.db2.gz FBWFKMRZGNQNDU-UHFFFAOYSA-N 1 2 322.836 2.411 20 70 DEIDLO Cc1nc(Cl)ccc1C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161395123 197492034 /nfs/dbraw/zinc/49/20/34/197492034.db2.gz KZESYZMUUOJCRC-LBPRGKRZSA-N 1 2 316.792 2.447 20 70 DEIDLO O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCN(c2ccccc2)CC1 ZINC000160185733 197392262 /nfs/dbraw/zinc/39/22/62/197392262.db2.gz ZPAYSLFIDYFNFX-INIZCTEOSA-N 1 2 324.428 2.184 20 70 DEIDLO C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160079340 197384765 /nfs/dbraw/zinc/38/47/65/197384765.db2.gz MHZXFNJKYWRVQX-GDBMZVCRSA-N 1 2 302.422 2.097 20 70 DEIDLO CCCNC(=O)[C@@H](C)[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159570854 402326023 /nfs/dbraw/zinc/32/60/23/402326023.db2.gz PPTUDGTVAPDZFA-RDTXWAMCSA-N 1 2 302.418 2.075 20 70 DEIDLO CCCNC(=O)[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159570854 402326026 /nfs/dbraw/zinc/32/60/26/402326026.db2.gz PPTUDGTVAPDZFA-RDTXWAMCSA-N 1 2 302.418 2.075 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000161071984 402371299 /nfs/dbraw/zinc/37/12/99/402371299.db2.gz CZVMYKKTTQTPQJ-AWEZNQCLSA-N 1 2 312.417 2.220 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000161071984 402371301 /nfs/dbraw/zinc/37/13/01/402371301.db2.gz CZVMYKKTTQTPQJ-AWEZNQCLSA-N 1 2 312.417 2.220 20 70 DEIDLO COCCC1(CNC(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)CC1 ZINC000161089037 402372042 /nfs/dbraw/zinc/37/20/42/402372042.db2.gz UHSQEJCYTYRRIS-ZDUSSCGKSA-N 1 2 306.410 2.463 20 70 DEIDLO CCc1ccccc1NC(=O)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000161086904 402372329 /nfs/dbraw/zinc/37/23/29/402372329.db2.gz CAHAIXWGIMOCBI-UHFFFAOYSA-N 1 2 300.406 2.443 20 70 DEIDLO CCc1ccccc1NC(=O)C[N@H+](CC)Cc1cnn(C)c1 ZINC000161086904 402372331 /nfs/dbraw/zinc/37/23/31/402372331.db2.gz CAHAIXWGIMOCBI-UHFFFAOYSA-N 1 2 300.406 2.443 20 70 DEIDLO CCC[N@H+](Cc1ccccc1NC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000161111677 402373141 /nfs/dbraw/zinc/37/31/41/402373141.db2.gz OCMHIPYMSMKYBD-OAHLLOKOSA-N 1 2 324.446 2.044 20 70 DEIDLO CCC[N@@H+](Cc1ccccc1NC(C)=O)[C@@H]1CCS(=O)(=O)C1 ZINC000161111677 402373145 /nfs/dbraw/zinc/37/31/45/402373145.db2.gz OCMHIPYMSMKYBD-OAHLLOKOSA-N 1 2 324.446 2.044 20 70 DEIDLO CC[N@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000161115177 402373441 /nfs/dbraw/zinc/37/34/41/402373441.db2.gz XQVOYLOOVOEJHN-HNNXBMFYSA-N 1 2 314.433 2.255 20 70 DEIDLO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)C(=O)NCc1ccccc1C ZINC000161115177 402373445 /nfs/dbraw/zinc/37/34/45/402373445.db2.gz XQVOYLOOVOEJHN-HNNXBMFYSA-N 1 2 314.433 2.255 20 70 DEIDLO CCc1nnc([C@@H](C)[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)o1 ZINC000161211038 402377969 /nfs/dbraw/zinc/37/79/69/402377969.db2.gz LKZURJCEUUMNHW-LDYMZIIASA-N 1 2 307.316 2.328 20 70 DEIDLO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1c(CC)nn(C)c1CC ZINC000161285914 402380983 /nfs/dbraw/zinc/38/09/83/402380983.db2.gz XGUKYSBGWDDGCT-MRXNPFEDSA-N 1 2 307.438 2.463 20 70 DEIDLO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1c(CC)nn(C)c1CC ZINC000161285914 402380986 /nfs/dbraw/zinc/38/09/86/402380986.db2.gz XGUKYSBGWDDGCT-MRXNPFEDSA-N 1 2 307.438 2.463 20 70 DEIDLO CC(=O)Nc1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161326158 402382555 /nfs/dbraw/zinc/38/25/55/402382555.db2.gz GOKCXQYWJHOEPG-INIZCTEOSA-N 1 2 324.384 2.049 20 70 DEIDLO C[N@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccnc1 ZINC000160465879 522519757 /nfs/dbraw/zinc/51/97/57/522519757.db2.gz PVAOOVIWQXNTKA-UHFFFAOYSA-N 1 2 313.405 2.464 20 70 DEIDLO C[N@@H+](CC(=O)Nc1ccnn1C1CCCC1)Cc1cccnc1 ZINC000160465879 522519768 /nfs/dbraw/zinc/51/97/68/522519768.db2.gz PVAOOVIWQXNTKA-UHFFFAOYSA-N 1 2 313.405 2.464 20 70 DEIDLO