smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccccc2)c(C)c1CN(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179516021 495625479 /nfs/dbraw/zinc/62/54/79/495625479.db2.gz BPBZUAYQHKAPPN-KRWDZBQOSA-N 1 3 370.541 3.014 10 0 FGAEHO CCN1CCC[C@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423206 496610539 /nfs/dbraw/zinc/61/05/39/496610539.db2.gz OGRQMOKTZXPQFH-FQEVSTJZSA-N 1 3 357.542 3.231 10 0 FGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247487441 496869934 /nfs/dbraw/zinc/86/99/34/496869934.db2.gz KXSVCINRAAMQDH-NQIIRXRSSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247487441 496869938 /nfs/dbraw/zinc/86/99/38/496869938.db2.gz KXSVCINRAAMQDH-NQIIRXRSSA-N 1 3 370.541 3.051 10 0 FGAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262326724 497540376 /nfs/dbraw/zinc/54/03/76/497540376.db2.gz GCWKTYVEMPKXSL-RDJZCZTQSA-N 1 3 371.447 3.113 10 0 FGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000246275953 497681100 /nfs/dbraw/zinc/68/11/00/497681100.db2.gz BBOJRDDKQFAMNV-HOJAQTOUSA-N 1 3 357.546 3.078 10 0 FGAEHO C[C@H](C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000301314314 713781732 /nfs/dbraw/zinc/78/17/32/713781732.db2.gz GPWYCCFVKRCHSN-KURKYZTESA-N 1 3 353.551 3.344 10 0 FGAEHO CN(C)C[C@@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111808093 495113778 /nfs/dbraw/zinc/11/37/78/495113778.db2.gz GCRFPDQGAZPJOM-HXUWFJFHSA-N 1 3 360.546 3.245 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000124258465 495258926 /nfs/dbraw/zinc/25/89/26/495258926.db2.gz COVYXLXSIQQHRW-OAQYLSRUSA-N 1 3 374.573 3.400 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000124258465 495258928 /nfs/dbraw/zinc/25/89/28/495258928.db2.gz COVYXLXSIQQHRW-OAQYLSRUSA-N 1 3 374.573 3.400 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000182584427 495624622 /nfs/dbraw/zinc/62/46/22/495624622.db2.gz DFTKVMVGUCUKQK-LJQANCHMSA-N 1 3 352.567 3.014 10 0 FGAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000181966492 496617050 /nfs/dbraw/zinc/61/70/50/496617050.db2.gz BEHSICDCNUZUIH-ZWKOTPCHSA-N 1 3 374.529 3.026 10 0 FGAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000181966492 496617054 /nfs/dbraw/zinc/61/70/54/496617054.db2.gz BEHSICDCNUZUIH-ZWKOTPCHSA-N 1 3 374.529 3.026 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422490 497006450 /nfs/dbraw/zinc/00/64/50/497006450.db2.gz YQHKTOFTSLPOTN-JBACZVJFSA-N 1 3 356.510 3.172 10 0 FGAEHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261734253 497441889 /nfs/dbraw/zinc/44/18/89/497441889.db2.gz MCLOJDBAYZGPDF-APWZRJJASA-N 1 3 357.885 3.343 10 0 FGAEHO CCN1CCC[C@H](NC(=O)Nc2ccccc2OCC[NH+](CC)CC)C1 ZINC000194331461 497637039 /nfs/dbraw/zinc/63/70/39/497637039.db2.gz NFTRWKRDJZCFDG-KRWDZBQOSA-N 1 3 362.518 3.013 10 0 FGAEHO CC1CCN(CCC[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129952142 700794185 /nfs/dbraw/zinc/79/41/85/700794185.db2.gz RUDUPFOKABILRJ-GOSISDBHSA-N 1 3 353.551 3.345 10 0 FGAEHO CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846474 705348467 /nfs/dbraw/zinc/34/84/67/705348467.db2.gz DFUAEFZYCVYATF-KBXCAEBGSA-N 1 3 351.922 3.042 10 0 FGAEHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805872 722409793 /nfs/dbraw/zinc/40/97/93/722409793.db2.gz VMESJLVMJNNQJE-OKZBNKHCSA-N 1 3 353.551 3.344 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941932 495660907 /nfs/dbraw/zinc/66/09/07/495660907.db2.gz PDTBSIMRNJCENY-INIZCTEOSA-N 1 3 359.539 3.335 10 0 FGAEHO CCO[C@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577210 496819814 /nfs/dbraw/zinc/81/98/14/496819814.db2.gz CIFAMLAGEFXWEA-UXHICEINSA-N 1 3 351.579 3.072 10 0 FGAEHO CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577210 496819818 /nfs/dbraw/zinc/81/98/18/496819818.db2.gz CIFAMLAGEFXWEA-UXHICEINSA-N 1 3 351.579 3.072 10 0 FGAEHO Cc1csc([C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192728974 497198403 /nfs/dbraw/zinc/19/84/03/497198403.db2.gz NYXBHBKZYBCORI-GOSISDBHSA-N 1 3 350.576 3.047 10 0 FGAEHO Cc1csc([C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192728974 497198408 /nfs/dbraw/zinc/19/84/08/497198408.db2.gz NYXBHBKZYBCORI-GOSISDBHSA-N 1 3 350.576 3.047 10 0 FGAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000261931367 497479098 /nfs/dbraw/zinc/47/90/98/497479098.db2.gz WHSCCJVIKOGAMP-GMWOYJHMSA-N 1 3 373.516 3.060 10 0 FGAEHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661422 497594637 /nfs/dbraw/zinc/59/46/37/497594637.db2.gz YDGHMCSPKRRSHM-YADHBBJMSA-N 1 3 365.521 3.275 10 0 FGAEHO Cn1cc([C@@H]2CCCN2CCCCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000246858893 497817226 /nfs/dbraw/zinc/81/72/26/497817226.db2.gz DNDISMONCAOLDF-SFTDATJTSA-N 1 3 370.545 3.298 10 0 FGAEHO Cn1cc([C@@H]2CCCN2CCCCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000246858893 497817228 /nfs/dbraw/zinc/81/72/28/497817228.db2.gz DNDISMONCAOLDF-SFTDATJTSA-N 1 3 370.545 3.298 10 0 FGAEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091356 700795927 /nfs/dbraw/zinc/79/59/27/700795927.db2.gz YFPAATSQLVNNHO-ROUUACIJSA-N 1 3 353.551 3.344 10 0 FGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156591351 705123795 /nfs/dbraw/zinc/12/37/95/705123795.db2.gz SJZDQUKQSVWZGL-MLHJIOFPSA-N 1 3 353.551 3.484 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CCCC3)s2)CC1 ZINC000121094981 494593204 /nfs/dbraw/zinc/59/32/04/494593204.db2.gz FDWWYPLXGUUMOI-HNNXBMFYSA-N 1 3 351.560 3.325 10 0 FGAEHO C[N@H+](CCc1cccnc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172162510 496191474 /nfs/dbraw/zinc/19/14/74/496191474.db2.gz VYJDIDVYOAPMTF-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1cccnc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172162510 496191480 /nfs/dbraw/zinc/19/14/80/496191480.db2.gz VYJDIDVYOAPMTF-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438267 496858497 /nfs/dbraw/zinc/85/84/97/496858497.db2.gz XLJGPETXTMXHQF-SESVDKBCSA-N 1 3 372.557 3.165 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438267 496858503 /nfs/dbraw/zinc/85/85/03/496858503.db2.gz XLJGPETXTMXHQF-SESVDKBCSA-N 1 3 372.557 3.165 10 0 FGAEHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000262661421 497594432 /nfs/dbraw/zinc/59/44/32/497594432.db2.gz YDGHMCSPKRRSHM-VXKWHMMOSA-N 1 3 365.521 3.275 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000194179815 497595210 /nfs/dbraw/zinc/59/52/10/497595210.db2.gz HBPPUBCTWNIOQT-QGZVFWFLSA-N 1 3 366.575 3.086 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246457331 497739795 /nfs/dbraw/zinc/73/97/95/497739795.db2.gz JHEADHOOEFPXQP-CEWLAPEOSA-N 1 3 372.557 3.165 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246457331 497739800 /nfs/dbraw/zinc/73/98/00/497739800.db2.gz JHEADHOOEFPXQP-CEWLAPEOSA-N 1 3 372.557 3.165 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741417 /nfs/dbraw/zinc/74/14/17/497741417.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 1 3 372.557 3.165 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000246457378 497741421 /nfs/dbraw/zinc/74/14/21/497741421.db2.gz JHEADHOOEFPXQP-SESVDKBCSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263272065 497746539 /nfs/dbraw/zinc/74/65/39/497746539.db2.gz PHDNOAWNDCQCDG-HLAWJBBLSA-N 1 3 357.542 3.183 10 0 FGAEHO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254957 498364528 /nfs/dbraw/zinc/36/45/28/498364528.db2.gz GGGGSQLUMVJXQL-OHSMVPPVSA-N 1 3 367.493 3.070 10 0 FGAEHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237920960 497315465 /nfs/dbraw/zinc/31/54/65/497315465.db2.gz NBFBMWPVYBVHPQ-UXHICEINSA-N 1 3 355.526 3.161 10 0 FGAEHO [NH3+][C@@H]1CC[C@@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000237939592 497316921 /nfs/dbraw/zinc/31/69/21/497316921.db2.gz LHVOHEXNNRGOPF-FGZHOGPDSA-N 1 3 365.521 3.323 10 0 FGAEHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000311910187 498756485 /nfs/dbraw/zinc/75/64/85/498756485.db2.gz DZZBDFFJJWOPIC-FYZZASKESA-N 1 3 350.510 3.298 10 0 FGAEHO C[C@@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129948432 700794004 /nfs/dbraw/zinc/79/40/04/700794004.db2.gz UGTLTOSIBPLYBN-MSOLQXFVSA-N 1 3 353.551 3.488 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534239 /nfs/dbraw/zinc/53/42/39/494534239.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408130 494534242 /nfs/dbraw/zinc/53/42/42/494534242.db2.gz WJUWSKYKOIUROV-NRFANRHFSA-N 1 3 372.557 3.024 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180643505 496082344 /nfs/dbraw/zinc/08/23/44/496082344.db2.gz DZVSQEZWSYTUOF-FUHWJXTLSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164778647 496632153 /nfs/dbraw/zinc/63/21/53/496632153.db2.gz YUOXJUKUMPDKSW-QUCCMNQESA-N 1 3 357.542 3.134 10 0 FGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247487452 496870497 /nfs/dbraw/zinc/87/04/97/496870497.db2.gz KXSVCINRAAMQDH-RXVVDRJESA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000247487452 496870505 /nfs/dbraw/zinc/87/05/05/496870505.db2.gz KXSVCINRAAMQDH-RXVVDRJESA-N 1 3 370.541 3.051 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598048 498761116 /nfs/dbraw/zinc/76/11/16/498761116.db2.gz XVAIZOZGMPXYDC-CMOCDZPBSA-N 1 3 370.537 3.215 10 0 FGAEHO CC1CCN(CCC[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129951950 700794322 /nfs/dbraw/zinc/79/43/22/700794322.db2.gz RUDUPFOKABILRJ-SFHVURJKSA-N 1 3 353.551 3.345 10 0 FGAEHO O=c1n(C2CC[NH2+]CC2)cc(-c2ccccc2)n1CCCN1CCCCC1 ZINC000091366140 494588324 /nfs/dbraw/zinc/58/83/24/494588324.db2.gz HPXHDHUCYCRQNN-UHFFFAOYSA-N 1 3 368.525 3.117 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116532610 494809741 /nfs/dbraw/zinc/80/97/41/494809741.db2.gz FRHCQODQYHWBBI-RXVVDRJESA-N 1 3 374.573 3.488 10 0 FGAEHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182378470 495539470 /nfs/dbraw/zinc/53/94/70/495539470.db2.gz FCRYZILHEAJMTG-CUWPLCDZSA-N 1 3 372.557 3.242 10 0 FGAEHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378470 495539474 /nfs/dbraw/zinc/53/94/74/495539474.db2.gz FCRYZILHEAJMTG-CUWPLCDZSA-N 1 3 372.557 3.242 10 0 FGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCCN(c2cccnn2)C1 ZINC000177557794 496111644 /nfs/dbraw/zinc/11/16/44/496111644.db2.gz FRECLXIAVYSEHQ-FQEVSTJZSA-N 1 3 367.541 3.193 10 0 FGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCCN(c2cccnn2)C1 ZINC000177557794 496111650 /nfs/dbraw/zinc/11/16/50/496111650.db2.gz FRECLXIAVYSEHQ-FQEVSTJZSA-N 1 3 367.541 3.193 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182143661 496686171 /nfs/dbraw/zinc/68/61/71/496686171.db2.gz DUBVHKPZCORDEO-FQEVSTJZSA-N 1 3 359.558 3.381 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997814 496746951 /nfs/dbraw/zinc/74/69/51/496746951.db2.gz GTPVEQMWPXXEGO-ZFMNYDKASA-N 1 3 372.557 3.067 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997814 496746959 /nfs/dbraw/zinc/74/69/59/496746959.db2.gz GTPVEQMWPXXEGO-ZFMNYDKASA-N 1 3 372.557 3.067 10 0 FGAEHO CCc1csc([C@@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192729128 497197838 /nfs/dbraw/zinc/19/78/38/497197838.db2.gz PHGPZSAHNMCUMF-GOSISDBHSA-N 1 3 364.603 3.301 10 0 FGAEHO CCc1csc([C@@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192729128 497197842 /nfs/dbraw/zinc/19/78/42/497197842.db2.gz PHGPZSAHNMCUMF-GOSISDBHSA-N 1 3 364.603 3.301 10 0 FGAEHO CSc1ccccc1NC(=O)CCN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261743639 497443362 /nfs/dbraw/zinc/44/33/62/497443362.db2.gz MVDZFAFPWFCTKJ-MSOLQXFVSA-N 1 3 369.534 3.411 10 0 FGAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000245678851 497498772 /nfs/dbraw/zinc/49/87/72/497498772.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000245678851 497498775 /nfs/dbraw/zinc/49/87/75/497498775.db2.gz GFAPRLMTXSKSEE-HMXCVIKNSA-N 1 3 372.557 3.165 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000263269269 497745954 /nfs/dbraw/zinc/74/59/54/497745954.db2.gz OMRHYEQZIOVYIF-HYVNUMGLSA-N 1 3 371.447 3.332 10 0 FGAEHO CCn1nc(C)c([C@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000397624468 499564740 /nfs/dbraw/zinc/56/47/40/499564740.db2.gz KCBQPAILDJNRQY-KRWDZBQOSA-N 1 3 370.541 3.198 10 0 FGAEHO C[C@H](CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000184335149 712671031 /nfs/dbraw/zinc/67/10/31/712671031.db2.gz BZBSKTFOVOMQDG-QZTJIDSGSA-N 1 3 353.551 3.488 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(Br)ccc2F)CC1 ZINC000106124552 495417616 /nfs/dbraw/zinc/41/76/16/495417616.db2.gz DRBZEUZKGPDCMX-CYBMUJFWSA-N 1 3 373.310 3.113 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180644114 496084871 /nfs/dbraw/zinc/08/48/71/496084871.db2.gz PAVJGOKADNWLHB-WMZOPIPTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644114 496084877 /nfs/dbraw/zinc/08/48/77/496084877.db2.gz PAVJGOKADNWLHB-WMZOPIPTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000177518461 496094940 /nfs/dbraw/zinc/09/49/40/496094940.db2.gz SMJOBKHOFCYUEM-RXVVDRJESA-N 1 3 372.557 3.338 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000177518461 496094943 /nfs/dbraw/zinc/09/49/43/496094943.db2.gz SMJOBKHOFCYUEM-RXVVDRJESA-N 1 3 372.557 3.338 10 0 FGAEHO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237926180 497314761 /nfs/dbraw/zinc/31/47/61/497314761.db2.gz NBFBMWPVYBVHPQ-PMACEKPBSA-N 1 3 355.526 3.161 10 0 FGAEHO Brc1cccc(CN(C[C@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000261751374 497444244 /nfs/dbraw/zinc/44/42/44/497444244.db2.gz CECIQGOZJQRQNC-INIZCTEOSA-N 1 3 367.331 3.430 10 0 FGAEHO Brc1cccc(C[N@H+](C[C@H]2CCCNC2)C2CCOCC2)c1 ZINC000261751374 497444248 /nfs/dbraw/zinc/44/42/48/497444248.db2.gz CECIQGOZJQRQNC-INIZCTEOSA-N 1 3 367.331 3.430 10 0 FGAEHO Brc1cccc(C[N@@H+](C[C@H]2CCCNC2)C2CCOCC2)c1 ZINC000261751374 497444254 /nfs/dbraw/zinc/44/42/54/497444254.db2.gz CECIQGOZJQRQNC-INIZCTEOSA-N 1 3 367.331 3.430 10 0 FGAEHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000261931369 497478529 /nfs/dbraw/zinc/47/85/29/497478529.db2.gz WHSCCJVIKOGAMP-XGNNGGHXSA-N 1 3 373.516 3.060 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280986 497682465 /nfs/dbraw/zinc/68/24/65/497682465.db2.gz BNNSCEQSUIVRQE-MDZRGWNJSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280986 497682470 /nfs/dbraw/zinc/68/24/70/497682470.db2.gz BNNSCEQSUIVRQE-MDZRGWNJSA-N 1 3 365.949 3.395 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598047 498761961 /nfs/dbraw/zinc/76/19/61/498761961.db2.gz XVAIZOZGMPXYDC-CBPXPLCBSA-N 1 3 370.537 3.215 10 0 FGAEHO C[C@H]1CCCCN1CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000129948701 700793942 /nfs/dbraw/zinc/79/39/42/700793942.db2.gz UGTLTOSIBPLYBN-ROUUACIJSA-N 1 3 353.551 3.488 10 0 FGAEHO CCN1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127319934 494927679 /nfs/dbraw/zinc/92/76/79/494927679.db2.gz QYUCEVHNBUPGQQ-IBGZPJMESA-N 1 3 374.529 3.157 10 0 FGAEHO [NH3+][C@@H]1CC[C@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000237959426 497319931 /nfs/dbraw/zinc/31/99/31/497319931.db2.gz LHVOHEXNNRGOPF-FCHUYYIVSA-N 1 3 365.521 3.323 10 0 FGAEHO Brc1cccc(CN(C[C@@H]2CCC[NH2+]C2)C2CCOCC2)c1 ZINC000261751377 497444198 /nfs/dbraw/zinc/44/41/98/497444198.db2.gz CECIQGOZJQRQNC-MRXNPFEDSA-N 1 3 367.331 3.430 10 0 FGAEHO Brc1cccc(C[N@H+](C[C@@H]2CCCNC2)C2CCOCC2)c1 ZINC000261751377 497444205 /nfs/dbraw/zinc/44/42/05/497444205.db2.gz CECIQGOZJQRQNC-MRXNPFEDSA-N 1 3 367.331 3.430 10 0 FGAEHO Brc1cccc(C[N@@H+](C[C@@H]2CCCNC2)C2CCOCC2)c1 ZINC000261751377 497444211 /nfs/dbraw/zinc/44/42/11/497444211.db2.gz CECIQGOZJQRQNC-MRXNPFEDSA-N 1 3 367.331 3.430 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246003982 497594609 /nfs/dbraw/zinc/59/46/09/497594609.db2.gz GCYYPHCXKNLIEP-LVCYWYKZSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246003982 497594613 /nfs/dbraw/zinc/59/46/13/497594613.db2.gz GCYYPHCXKNLIEP-LVCYWYKZSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246273729 497679829 /nfs/dbraw/zinc/67/98/29/497679829.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 1 3 372.557 3.023 10 0 FGAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246273729 497679831 /nfs/dbraw/zinc/67/98/31/497679831.db2.gz JCIAKLVHXXZHMZ-HMXCVIKNSA-N 1 3 372.557 3.023 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280965 497682984 /nfs/dbraw/zinc/68/29/84/497682984.db2.gz BNNSCEQSUIVRQE-GPMSIDNRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280965 497682987 /nfs/dbraw/zinc/68/29/87/497682987.db2.gz BNNSCEQSUIVRQE-GPMSIDNRSA-N 1 3 365.949 3.395 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000263269268 497746373 /nfs/dbraw/zinc/74/63/73/497746373.db2.gz OMRHYEQZIOVYIF-BHYGNILZSA-N 1 3 371.447 3.332 10 0 FGAEHO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000105784848 700504875 /nfs/dbraw/zinc/50/48/75/700504875.db2.gz GPWYCCFVKRCHSN-FGTMMUONSA-N 1 3 353.551 3.344 10 0 FGAEHO CC1CC[NH+](CCCCNC(=O)N[C@H](CN(C)C)c2ccccc2)CC1 ZINC000045185859 494404269 /nfs/dbraw/zinc/40/42/69/494404269.db2.gz YIHSXUMJJJMONV-HXUWFJFHSA-N 1 3 360.546 3.101 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130355 494610047 /nfs/dbraw/zinc/61/00/47/494610047.db2.gz DTDNMMQUBQSGDA-CQSZACIVSA-N 1 3 365.568 3.396 10 0 FGAEHO CCN1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000118545941 495008575 /nfs/dbraw/zinc/00/85/75/495008575.db2.gz NQKBSNAHPAMPMN-SFHVURJKSA-N 1 3 362.518 3.013 10 0 FGAEHO Cc1noc(C)c1CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106128036 495418461 /nfs/dbraw/zinc/41/84/61/495418461.db2.gz LUIGJOBFNUVTSO-OAQYLSRUSA-N 1 3 357.498 3.169 10 0 FGAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@@H](N(C)C)C2)C1 ZINC000246003976 497594664 /nfs/dbraw/zinc/59/46/64/497594664.db2.gz GCYYPHCXKNLIEP-DBXWQHBBSA-N 1 3 372.557 3.010 10 0 FGAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314900 713781717 /nfs/dbraw/zinc/78/17/17/713781717.db2.gz SPBGRGFJBYSEFI-OKZBNKHCSA-N 1 3 353.551 3.342 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(C3CCCC3)s2)CC1 ZINC000121095169 494593670 /nfs/dbraw/zinc/59/36/70/494593670.db2.gz FDWWYPLXGUUMOI-OAHLLOKOSA-N 1 3 351.560 3.325 10 0 FGAEHO C[N@H+](CCc1ccccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128325 495418530 /nfs/dbraw/zinc/41/85/30/495418530.db2.gz LIZXGRFQVBCFKX-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1ccccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128325 495418534 /nfs/dbraw/zinc/41/85/34/495418534.db2.gz LIZXGRFQVBCFKX-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO CCN1CCC[C@@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152701987 496231040 /nfs/dbraw/zinc/23/10/40/496231040.db2.gz GFXUQSBBVVMPQK-SOAGJPPSSA-N 1 3 364.578 3.155 10 0 FGAEHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000245683790 497500679 /nfs/dbraw/zinc/50/06/79/497500679.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000245683790 497500684 /nfs/dbraw/zinc/50/06/84/497500684.db2.gz GTAKJBQWPREXRZ-LEWJYISDSA-N 1 3 372.557 3.024 10 0 FGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715559175 722415911 /nfs/dbraw/zinc/41/59/11/722415911.db2.gz SJZDQUKQSVWZGL-WNRNVDISSA-N 1 3 353.551 3.484 10 0 FGAEHO C[N@H+](CCc1ccncc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128246 495418760 /nfs/dbraw/zinc/41/87/60/495418760.db2.gz BMTOOKVCZAHMPY-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1ccncc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128246 495418763 /nfs/dbraw/zinc/41/87/63/495418763.db2.gz BMTOOKVCZAHMPY-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174410669 495946610 /nfs/dbraw/zinc/94/66/10/495946610.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174410669 495946620 /nfs/dbraw/zinc/94/66/20/495946620.db2.gz GFAPRLMTXSKSEE-NRSPTQNISA-N 1 3 372.557 3.165 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997779 496746887 /nfs/dbraw/zinc/74/68/87/496746887.db2.gz GTPVEQMWPXXEGO-UKAVVXHISA-N 1 3 372.557 3.067 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997779 496746890 /nfs/dbraw/zinc/74/68/90/496746890.db2.gz GTPVEQMWPXXEGO-UKAVVXHISA-N 1 3 372.557 3.067 10 0 FGAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247109511 496781923 /nfs/dbraw/zinc/78/19/23/496781923.db2.gz DUHIZKMYOWPACI-NHCUHLMSSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247109511 496781929 /nfs/dbraw/zinc/78/19/29/496781929.db2.gz DUHIZKMYOWPACI-NHCUHLMSSA-N 1 3 372.557 3.024 10 0 FGAEHO CC(C)[N@@H+]1C[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246390924 497718538 /nfs/dbraw/zinc/71/85/38/497718538.db2.gz KXAVECJIUMZABC-FCEWJHQRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@H+]1C[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)[C@@H](C)C1 ZINC000246390924 497718545 /nfs/dbraw/zinc/71/85/45/497718545.db2.gz KXAVECJIUMZABC-FCEWJHQRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294197332 498617244 /nfs/dbraw/zinc/61/72/44/498617244.db2.gz LPNQIPZMBMPJJM-QFBILLFUSA-N 1 3 374.529 3.333 10 0 FGAEHO COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CC1 ZINC000311494673 498751919 /nfs/dbraw/zinc/75/19/19/498751919.db2.gz CWNLFYMMUFKLEA-SSXNTNPLSA-N 1 3 356.510 3.218 10 0 FGAEHO CCN1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745041 257344089 /nfs/dbraw/zinc/34/40/89/257344089.db2.gz OLMVYWBMRCQDCW-SFHVURJKSA-N 1 3 361.493 3.366 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116532614 494809957 /nfs/dbraw/zinc/80/99/57/494809957.db2.gz FRHCQODQYHWBBI-NQIIRXRSSA-N 1 3 374.573 3.488 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000127320172 494927270 /nfs/dbraw/zinc/92/72/70/494927270.db2.gz QYUCEVHNBUPGQQ-LJQANCHMSA-N 1 3 374.529 3.157 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247536626 496882869 /nfs/dbraw/zinc/88/28/69/496882869.db2.gz QCXQKEQVPVLKSQ-DBXWQHBBSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247536626 496882875 /nfs/dbraw/zinc/88/28/75/496882875.db2.gz QCXQKEQVPVLKSQ-DBXWQHBBSA-N 1 3 370.541 3.090 10 0 FGAEHO Cn1cc(-c2ccc(C[N@@H+]3C[C@@H](CN)[C@H](c4ccccc4)C3)s2)cn1 ZINC000261913083 497474849 /nfs/dbraw/zinc/47/48/49/497474849.db2.gz JNUKMQOOWQOHOQ-APWZRJJASA-N 1 3 352.507 3.323 10 0 FGAEHO Cn1cc(-c2ccc(C[N@H+]3C[C@@H](CN)[C@H](c4ccccc4)C3)s2)cn1 ZINC000261913083 497474856 /nfs/dbraw/zinc/47/48/56/497474856.db2.gz JNUKMQOOWQOHOQ-APWZRJJASA-N 1 3 352.507 3.323 10 0 FGAEHO Cn1cc(-c2ccc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)s2)cn1 ZINC000261913083 497474858 /nfs/dbraw/zinc/47/48/58/497474858.db2.gz JNUKMQOOWQOHOQ-APWZRJJASA-N 1 3 352.507 3.323 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCOC5(CCOCC5)C4)[C@H]3C2)cc1 ZINC000312598050 498760883 /nfs/dbraw/zinc/76/08/83/498760883.db2.gz XVAIZOZGMPXYDC-LRSLUSHPSA-N 1 3 370.537 3.215 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121141069 700666861 /nfs/dbraw/zinc/66/68/61/700666861.db2.gz NZSGIIMBUQLMHP-CYBMUJFWSA-N 1 3 362.486 3.260 10 0 FGAEHO C[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000130011801 700794754 /nfs/dbraw/zinc/79/47/54/700794754.db2.gz MYZNFXRXSXVVRV-ROUUACIJSA-N 1 3 353.551 3.345 10 0 FGAEHO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180511967 496027383 /nfs/dbraw/zinc/02/73/83/496027383.db2.gz HVIDPDGDAMJWDT-SJLPKXTDSA-N 1 3 371.529 3.008 10 0 FGAEHO Cn1cc([C@H]2CCCN2CCCCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000157886643 496576776 /nfs/dbraw/zinc/57/67/76/496576776.db2.gz DNDISMONCAOLDF-NHCUHLMSSA-N 1 3 370.545 3.298 10 0 FGAEHO Cn1cc([C@H]2CCCN2CCCCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1 ZINC000157886643 496576785 /nfs/dbraw/zinc/57/67/85/496576785.db2.gz DNDISMONCAOLDF-NHCUHLMSSA-N 1 3 370.545 3.298 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248128180 496958989 /nfs/dbraw/zinc/95/89/89/496958989.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 1 3 360.542 3.149 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248128180 496958991 /nfs/dbraw/zinc/95/89/91/496958991.db2.gz ODKOJOYNYFMOBP-PWRODBHTSA-N 1 3 360.542 3.149 10 0 FGAEHO O[C@H](COCc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080830 497296677 /nfs/dbraw/zinc/29/66/77/497296677.db2.gz NMDKYYZFPPDYIS-FQEVSTJZSA-N 1 3 366.933 3.025 10 0 FGAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262326723 497540989 /nfs/dbraw/zinc/54/09/89/497540989.db2.gz GCWKTYVEMPKXSL-NVXWUHKLSA-N 1 3 371.447 3.113 10 0 FGAEHO COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000311494678 498751344 /nfs/dbraw/zinc/75/13/44/498751344.db2.gz CWNLFYMMUFKLEA-YWHRJQNKSA-N 1 3 356.510 3.218 10 0 FGAEHO COC(=O)C1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000311494676 498753210 /nfs/dbraw/zinc/75/32/10/498753210.db2.gz CWNLFYMMUFKLEA-YCHQTSKFSA-N 1 3 356.510 3.218 10 0 FGAEHO C[C@@H]1CCC[C@H](N2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000089733429 494350396 /nfs/dbraw/zinc/35/03/96/494350396.db2.gz BBOJRDDKQFAMNV-RLLQIKCJSA-N 1 3 357.546 3.078 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170829378 495618278 /nfs/dbraw/zinc/61/82/78/495618278.db2.gz RERBZBRQQVCZIU-UEXGIBASSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170829378 495618289 /nfs/dbraw/zinc/61/82/89/495618289.db2.gz RERBZBRQQVCZIU-UEXGIBASSA-N 1 3 372.557 3.010 10 0 FGAEHO Cc1cccnc1CN(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000180478048 496012480 /nfs/dbraw/zinc/01/24/80/496012480.db2.gz YLUPOPPHUVUKLY-JOCHJYFZSA-N 1 3 353.510 3.267 10 0 FGAEHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180500501 496022723 /nfs/dbraw/zinc/02/27/23/496022723.db2.gz RLNHWHKURLALHD-WMZOPIPTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000177866107 496230347 /nfs/dbraw/zinc/23/03/47/496230347.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000177866107 496230348 /nfs/dbraw/zinc/23/03/48/496230348.db2.gz DUHIZKMYOWPACI-RTWAWAEBSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590868 495318704 /nfs/dbraw/zinc/31/87/04/495318704.db2.gz ITSLNBYPRZLZBT-CGTJXYLNSA-N 1 3 364.559 3.009 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590868 495318707 /nfs/dbraw/zinc/31/87/07/495318707.db2.gz ITSLNBYPRZLZBT-CGTJXYLNSA-N 1 3 364.559 3.009 10 0 FGAEHO C[N@H+](CCc1ccccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128328 495418093 /nfs/dbraw/zinc/41/80/93/495418093.db2.gz LIZXGRFQVBCFKX-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1ccccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000106128328 495418098 /nfs/dbraw/zinc/41/80/98/495418098.db2.gz LIZXGRFQVBCFKX-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO CN(C)CCN1CCC([NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180078213 495848287 /nfs/dbraw/zinc/84/82/87/495848287.db2.gz COGRUTVMJDUMHM-UHFFFAOYSA-N 1 3 363.549 3.490 10 0 FGAEHO Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000195254372 496862996 /nfs/dbraw/zinc/86/29/96/496862996.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 1 3 350.576 3.081 10 0 FGAEHO Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000195254372 496862998 /nfs/dbraw/zinc/86/29/98/496862998.db2.gz ZBRXLQLPLARSPD-SFHVURJKSA-N 1 3 350.576 3.081 10 0 FGAEHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000311910185 498756182 /nfs/dbraw/zinc/75/61/82/498756182.db2.gz DZZBDFFJJWOPIC-BVOGOJNSSA-N 1 3 350.510 3.298 10 0 FGAEHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000311910189 498756931 /nfs/dbraw/zinc/75/69/31/498756931.db2.gz DZZBDFFJJWOPIC-ZIBCJSCZSA-N 1 3 350.510 3.298 10 0 FGAEHO CCc1ccc([C@@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759664 493985559 /nfs/dbraw/zinc/98/55/59/493985559.db2.gz ZZRIIFIMSNHCJF-QGZVFWFLSA-N 1 3 372.557 3.168 10 0 FGAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000130777993 495444513 /nfs/dbraw/zinc/44/45/13/495444513.db2.gz DWLBGKXUDWSVKK-NRFANRHFSA-N 1 3 368.525 3.240 10 0 FGAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000130777993 495444515 /nfs/dbraw/zinc/44/45/15/495444515.db2.gz DWLBGKXUDWSVKK-NRFANRHFSA-N 1 3 368.525 3.240 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176226507 495553305 /nfs/dbraw/zinc/55/33/05/495553305.db2.gz SRQCPAUJJPSADM-SFHVURJKSA-N 1 3 352.567 3.059 10 0 FGAEHO CC(C)n1cc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000179518726 495626286 /nfs/dbraw/zinc/62/62/86/495626286.db2.gz OJWIKINHOHJUHK-JOCHJYFZSA-N 1 3 370.541 3.341 10 0 FGAEHO Cc1ccc(-c2cc(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)on2)cc1 ZINC000170941746 495660676 /nfs/dbraw/zinc/66/06/76/495660676.db2.gz GIWHCIHCYGHKEC-KRWDZBQOSA-N 1 3 357.498 3.175 10 0 FGAEHO COC(=O)c1ccc(CN2CC[C@H](CNc3cccc(C)n3)C2)cc1F ZINC000150914703 495679628 /nfs/dbraw/zinc/67/96/28/495679628.db2.gz FHMBPZQJVMIHSJ-MRXNPFEDSA-N 1 3 357.429 3.250 10 0 FGAEHO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294197320 498617014 /nfs/dbraw/zinc/61/70/14/498617014.db2.gz LPNQIPZMBMPJJM-APWZRJJASA-N 1 3 374.529 3.333 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+][C@H]4CCOC5(CCOCC5)C4)[C@@H]3C2)cc1 ZINC000312598049 498760110 /nfs/dbraw/zinc/76/01/10/498760110.db2.gz XVAIZOZGMPXYDC-KJJMTIBFSA-N 1 3 370.537 3.215 10 0 FGAEHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805516 722409888 /nfs/dbraw/zinc/40/98/88/722409888.db2.gz VMESJLVMJNNQJE-BZSNNMDCSA-N 1 3 353.551 3.344 10 0 FGAEHO CC[NH2+]CC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(Cl)cc1 ZINC000028220199 210242445 /nfs/dbraw/zinc/24/24/45/210242445.db2.gz XRIHXUYKZGXHML-KRWDZBQOSA-N 1 3 357.885 3.465 10 0 FGAEHO CC(C)(C)CCCCCC(=O)OC[C@@H](O)CNCc1cccc(C[NH3+])c1 ZINC000038656300 494115775 /nfs/dbraw/zinc/11/57/75/494115775.db2.gz KCKMOSLSORKFQG-IBGZPJMESA-N 1 3 364.530 3.136 10 0 FGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000089733431 494350126 /nfs/dbraw/zinc/35/01/26/494350126.db2.gz BBOJRDDKQFAMNV-MISYRCLQSA-N 1 3 357.546 3.078 10 0 FGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000132514652 494886241 /nfs/dbraw/zinc/88/62/41/494886241.db2.gz IEURCDDHWUDIME-OAQYLSRUSA-N 1 3 372.557 3.071 10 0 FGAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000132514652 494886244 /nfs/dbraw/zinc/88/62/44/494886244.db2.gz IEURCDDHWUDIME-OAQYLSRUSA-N 1 3 372.557 3.071 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Br)s2)CC1 ZINC000106124558 495416907 /nfs/dbraw/zinc/41/69/07/495416907.db2.gz ANCJRUGXNLEJBT-LBPRGKRZSA-N 1 3 361.349 3.035 10 0 FGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171900371 496083275 /nfs/dbraw/zinc/08/32/75/496083275.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171900371 496083278 /nfs/dbraw/zinc/08/32/78/496083278.db2.gz SNUVKBBZLGBYCA-WIYYLYMNSA-N 1 3 370.541 3.051 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000245424918 497398204 /nfs/dbraw/zinc/39/82/04/497398204.db2.gz SMJOBKHOFCYUEM-WIYYLYMNSA-N 1 3 372.557 3.338 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000245424918 497398209 /nfs/dbraw/zinc/39/82/09/497398209.db2.gz SMJOBKHOFCYUEM-WIYYLYMNSA-N 1 3 372.557 3.338 10 0 FGAEHO COC(=O)C(C)(C)CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261976479 497486744 /nfs/dbraw/zinc/48/67/44/497486744.db2.gz QVRJXIRKKDJXEO-INIZCTEOSA-N 1 3 350.528 3.282 10 0 FGAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000245678847 497498008 /nfs/dbraw/zinc/49/80/08/497498008.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000245678847 497498014 /nfs/dbraw/zinc/49/80/14/497498014.db2.gz GFAPRLMTXSKSEE-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000186371649 495970275 /nfs/dbraw/zinc/97/02/75/495970275.db2.gz PQXQLHPWZAWYBI-UXHICEINSA-N 1 3 350.547 3.347 10 0 FGAEHO CCO[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371649 495970284 /nfs/dbraw/zinc/97/02/84/495970284.db2.gz PQXQLHPWZAWYBI-UXHICEINSA-N 1 3 350.547 3.347 10 0 FGAEHO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180500521 496022577 /nfs/dbraw/zinc/02/25/77/496022577.db2.gz RLNHWHKURLALHD-SJLPKXTDSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000246969113 496738264 /nfs/dbraw/zinc/73/82/64/496738264.db2.gz FZMAZEFMJODKDK-LVCYWYKZSA-N 1 3 372.557 3.240 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000246969113 496738265 /nfs/dbraw/zinc/73/82/65/496738265.db2.gz FZMAZEFMJODKDK-LVCYWYKZSA-N 1 3 372.557 3.240 10 0 FGAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C12CCOCC2 ZINC000249053354 497155789 /nfs/dbraw/zinc/15/57/89/497155789.db2.gz XCBPWPIVNLGUPO-YPAWHYETSA-N 1 3 372.553 3.115 10 0 FGAEHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302078 /nfs/dbraw/zinc/30/20/78/497302078.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 1 3 354.922 3.024 10 0 FGAEHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480537 497302082 /nfs/dbraw/zinc/30/20/82/497302082.db2.gz BDIYKDAMLXSIHD-RTBURBONSA-N 1 3 354.922 3.024 10 0 FGAEHO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 ZINC000167846360 705348272 /nfs/dbraw/zinc/34/82/72/705348272.db2.gz DFUAEFZYCVYATF-RDTXWAMCSA-N 1 3 351.922 3.042 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515315 495623821 /nfs/dbraw/zinc/62/38/21/495623821.db2.gz CZDPGFKBGPGMSN-KRWDZBQOSA-N 1 3 371.500 3.412 10 0 FGAEHO Cc1ncsc1CC[N@@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172535642 496331420 /nfs/dbraw/zinc/33/14/20/496331420.db2.gz ULQMJHSTZGUCQN-FQEVSTJZSA-N 1 3 373.566 3.371 10 0 FGAEHO Cc1ncsc1CC[N@H+](C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000172535642 496331425 /nfs/dbraw/zinc/33/14/25/496331425.db2.gz ULQMJHSTZGUCQN-FQEVSTJZSA-N 1 3 373.566 3.371 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)c1ccsc1 ZINC000247112308 496783269 /nfs/dbraw/zinc/78/32/69/496783269.db2.gz ITSLNBYPRZLZBT-BPQIPLTHSA-N 1 3 364.559 3.009 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)c1ccsc1 ZINC000247112308 496783275 /nfs/dbraw/zinc/78/32/75/496783275.db2.gz ITSLNBYPRZLZBT-BPQIPLTHSA-N 1 3 364.559 3.009 10 0 FGAEHO CCc1csc([C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192729141 497198124 /nfs/dbraw/zinc/19/81/24/497198124.db2.gz PHGPZSAHNMCUMF-SFHVURJKSA-N 1 3 364.603 3.301 10 0 FGAEHO CCc1csc([C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192729141 497198129 /nfs/dbraw/zinc/19/81/29/497198129.db2.gz PHGPZSAHNMCUMF-SFHVURJKSA-N 1 3 364.603 3.301 10 0 FGAEHO O[C@@H](COCc1ccc(Cl)cc1)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193080821 497297026 /nfs/dbraw/zinc/29/70/26/497297026.db2.gz NMDKYYZFPPDYIS-HXUWFJFHSA-N 1 3 366.933 3.025 10 0 FGAEHO [NH3+][C@H]1CC[C@@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000237867200 497304925 /nfs/dbraw/zinc/30/49/25/497304925.db2.gz LHVOHEXNNRGOPF-YADHBBJMSA-N 1 3 365.521 3.323 10 0 FGAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185987 494404820 /nfs/dbraw/zinc/40/48/20/494404820.db2.gz WHCYSPDSDJIFPW-ICSRJNTNSA-N 1 3 360.546 3.101 10 0 FGAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185987 494404826 /nfs/dbraw/zinc/40/48/26/494404826.db2.gz WHCYSPDSDJIFPW-ICSRJNTNSA-N 1 3 360.546 3.101 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533844 /nfs/dbraw/zinc/53/38/44/494533844.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000067408132 494533847 /nfs/dbraw/zinc/53/38/47/494533847.db2.gz WJUWSKYKOIUROV-OAQYLSRUSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000116529062 494808336 /nfs/dbraw/zinc/80/83/36/494808336.db2.gz SQDVFBGQYSTAAK-ZWKOTPCHSA-N 1 3 360.546 3.242 10 0 FGAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113595816 495319388 /nfs/dbraw/zinc/31/93/88/495319388.db2.gz KGNKJUUWCDZSGL-FQEVSTJZSA-N 1 3 374.573 3.269 10 0 FGAEHO COc1ccccc1-c1ccc(C[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000174299997 495900087 /nfs/dbraw/zinc/90/00/87/495900087.db2.gz JIUGJPOKDRKMNU-HXUWFJFHSA-N 1 3 354.494 3.299 10 0 FGAEHO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000245981884 497589919 /nfs/dbraw/zinc/58/99/19/497589919.db2.gz BEHSICDCNUZUIH-ROUUACIJSA-N 1 3 374.529 3.026 10 0 FGAEHO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000245981884 497589922 /nfs/dbraw/zinc/58/99/22/497589922.db2.gz BEHSICDCNUZUIH-ROUUACIJSA-N 1 3 374.529 3.026 10 0 FGAEHO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390934 497718134 /nfs/dbraw/zinc/71/81/34/497718134.db2.gz KXAVECJIUMZABC-FRQCXROJSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390934 497718139 /nfs/dbraw/zinc/71/81/39/497718139.db2.gz KXAVECJIUMZABC-FRQCXROJSA-N 1 3 365.949 3.395 10 0 FGAEHO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1)C(=O)NCc1ccco1 ZINC000361254958 498365591 /nfs/dbraw/zinc/36/55/91/498365591.db2.gz GGGGSQLUMVJXQL-VOBGVNJCSA-N 1 3 367.493 3.070 10 0 FGAEHO C[NH+](C)Cc1cc(O[C@H]2CCN(Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046193 739211557 /nfs/dbraw/zinc/21/15/57/739211557.db2.gz WACWMHIZTMKKOR-KRWDZBQOSA-N 1 3 358.511 3.130 10 0 FGAEHO C[N@@H+](Cc1ccc(CO)cc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182752751 495689405 /nfs/dbraw/zinc/68/94/05/495689405.db2.gz KFIJFCAILLLLOY-HSZRJFAPSA-N 1 3 368.521 3.056 10 0 FGAEHO C[N@H+](Cc1ccc(CO)cc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000182752751 495689410 /nfs/dbraw/zinc/68/94/10/495689410.db2.gz KFIJFCAILLLLOY-HSZRJFAPSA-N 1 3 368.521 3.056 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C12CCOCC2 ZINC000186316220 495944145 /nfs/dbraw/zinc/94/41/45/495944145.db2.gz XCBPWPIVNLGUPO-FDFHNCONSA-N 1 3 372.553 3.115 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176153010 496705586 /nfs/dbraw/zinc/70/55/86/496705586.db2.gz TYKDTKVHDYRGQX-IRXDYDNUSA-N 1 3 364.559 3.011 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176153010 496705589 /nfs/dbraw/zinc/70/55/89/496705589.db2.gz TYKDTKVHDYRGQX-IRXDYDNUSA-N 1 3 364.559 3.011 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247536645 496883319 /nfs/dbraw/zinc/88/33/19/496883319.db2.gz QCXQKEQVPVLKSQ-WAOWUJCRSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247536645 496883324 /nfs/dbraw/zinc/88/33/24/496883324.db2.gz QCXQKEQVPVLKSQ-WAOWUJCRSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247536642 496883341 /nfs/dbraw/zinc/88/33/41/496883341.db2.gz QCXQKEQVPVLKSQ-UEXGIBASSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000247536642 496883346 /nfs/dbraw/zinc/88/33/46/496883346.db2.gz QCXQKEQVPVLKSQ-UEXGIBASSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247596761 496894714 /nfs/dbraw/zinc/89/47/14/496894714.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247596761 496894717 /nfs/dbraw/zinc/89/47/17/496894717.db2.gz SNUVKBBZLGBYCA-NQIIRXRSSA-N 1 3 370.541 3.051 10 0 FGAEHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262384950 497548027 /nfs/dbraw/zinc/54/80/27/497548027.db2.gz NKIAVBKPKRBDDE-DOTOQJQBSA-N 1 3 371.447 3.113 10 0 FGAEHO CN(C)C[C@H](NC(=O)NCCCCC[NH+]1CCCCC1)c1ccccc1 ZINC000111808091 495113880 /nfs/dbraw/zinc/11/38/80/495113880.db2.gz GCRFPDQGAZPJOM-FQEVSTJZSA-N 1 3 360.546 3.245 10 0 FGAEHO CCC(CC)(CNC(=O)N1CC[C@@H](N(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000113626566 495322951 /nfs/dbraw/zinc/32/29/51/495322951.db2.gz MXBSEGIMCMDRDT-IEBWSBKVSA-N 1 3 360.546 3.242 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180643554 496083976 /nfs/dbraw/zinc/08/39/76/496083976.db2.gz DZVSQEZWSYTUOF-AEFFLSMTSA-N 1 3 371.529 3.008 10 0 FGAEHO C[N@H+](CCc1cccnc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172162518 496191280 /nfs/dbraw/zinc/19/12/80/496191280.db2.gz VYJDIDVYOAPMTF-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1cccnc1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172162518 496191282 /nfs/dbraw/zinc/19/12/82/496191282.db2.gz VYJDIDVYOAPMTF-JOCHJYFZSA-N 1 3 353.510 3.002 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478909 /nfs/dbraw/zinc/47/89/09/496478909.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 1 3 372.557 3.165 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000175641851 496478911 /nfs/dbraw/zinc/47/89/11/496478911.db2.gz JHEADHOOEFPXQP-HMXCVIKNSA-N 1 3 372.557 3.165 10 0 FGAEHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262384953 497548132 /nfs/dbraw/zinc/54/81/32/497548132.db2.gz NKIAVBKPKRBDDE-RDJZCZTQSA-N 1 3 371.447 3.113 10 0 FGAEHO CC(C)[N@@H+]1C[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246280914 497682179 /nfs/dbraw/zinc/68/21/79/497682179.db2.gz BNNSCEQSUIVRQE-FCEWJHQRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@H+]1C[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000246280914 497682182 /nfs/dbraw/zinc/68/21/82/497682182.db2.gz BNNSCEQSUIVRQE-FCEWJHQRSA-N 1 3 365.949 3.395 10 0 FGAEHO C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000130012000 700794824 /nfs/dbraw/zinc/79/48/24/700794824.db2.gz MYZNFXRXSXVVRV-MSOLQXFVSA-N 1 3 353.551 3.345 10 0 FGAEHO C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000130012420 700794894 /nfs/dbraw/zinc/79/48/94/700794894.db2.gz MYZNFXRXSXVVRV-QZTJIDSGSA-N 1 3 353.551 3.345 10 0 FGAEHO CC(C)N1CCC[C@@H](C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247235391 713637868 /nfs/dbraw/zinc/63/78/68/713637868.db2.gz YFPAATSQLVNNHO-ZWKOTPCHSA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954002 494383464 /nfs/dbraw/zinc/38/34/64/494383464.db2.gz MDPFYLAUYIFSCE-FQEVSTJZSA-N 1 3 360.546 3.058 10 0 FGAEHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000174236846 495875945 /nfs/dbraw/zinc/87/59/45/495875945.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000174236846 495875950 /nfs/dbraw/zinc/87/59/50/495875950.db2.gz GTAKJBQWPREXRZ-RTWAWAEBSA-N 1 3 372.557 3.024 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180643522 496082689 /nfs/dbraw/zinc/08/26/89/496082689.db2.gz DZVSQEZWSYTUOF-WMZOPIPTSA-N 1 3 371.529 3.008 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247503445 496875248 /nfs/dbraw/zinc/87/52/48/496875248.db2.gz XTVICZXYCHVIMW-YLJYHZDGSA-N 1 3 360.546 3.008 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247503445 496875250 /nfs/dbraw/zinc/87/52/50/496875250.db2.gz XTVICZXYCHVIMW-YLJYHZDGSA-N 1 3 360.546 3.008 10 0 FGAEHO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248663618 497075910 /nfs/dbraw/zinc/07/59/10/497075910.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 1 3 360.542 3.151 10 0 FGAEHO CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248663618 497075914 /nfs/dbraw/zinc/07/59/14/497075914.db2.gz ZWISGALTMWNFSH-BDTNDASRSA-N 1 3 360.542 3.151 10 0 FGAEHO CN(CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133537 497195976 /nfs/dbraw/zinc/19/59/76/497195976.db2.gz YDGHMCSPKRRSHM-FGZHOGPDSA-N 1 3 365.521 3.275 10 0 FGAEHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000246273721 497679380 /nfs/dbraw/zinc/67/93/80/497679380.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 1 3 372.557 3.023 10 0 FGAEHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000246273721 497679384 /nfs/dbraw/zinc/67/93/84/497679384.db2.gz JCIAKLVHXXZHMZ-HLAWJBBLSA-N 1 3 372.557 3.023 10 0 FGAEHO C[C@@H](CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000184335087 712670996 /nfs/dbraw/zinc/67/09/96/712670996.db2.gz BZBSKTFOVOMQDG-ROUUACIJSA-N 1 3 353.551 3.488 10 0 FGAEHO Cc1ncc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)s1 ZINC000106127008 495416862 /nfs/dbraw/zinc/41/68/62/495416862.db2.gz BNTGWZZIZYUEDO-FQEVSTJZSA-N 1 3 359.539 3.329 10 0 FGAEHO CCN1CCN([C@H](C)C[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180120042 495865965 /nfs/dbraw/zinc/86/59/65/495865965.db2.gz DAUBVRHUTNAVFP-LJQANCHMSA-N 1 3 363.549 3.490 10 0 FGAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175864544 496578738 /nfs/dbraw/zinc/57/87/38/496578738.db2.gz CSYAKPHSTHPWPH-FQEVSTJZSA-N 1 3 374.573 3.269 10 0 FGAEHO CCO[C@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577187 496819069 /nfs/dbraw/zinc/81/90/69/496819069.db2.gz CIFAMLAGEFXWEA-PMACEKPBSA-N 1 3 351.579 3.072 10 0 FGAEHO CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577187 496819073 /nfs/dbraw/zinc/81/90/73/496819073.db2.gz CIFAMLAGEFXWEA-PMACEKPBSA-N 1 3 351.579 3.072 10 0 FGAEHO CCO[C@@H]1C[C@@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577200 496819296 /nfs/dbraw/zinc/81/92/96/496819296.db2.gz CIFAMLAGEFXWEA-WOJBJXKFSA-N 1 3 351.579 3.072 10 0 FGAEHO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577200 496819299 /nfs/dbraw/zinc/81/92/99/496819299.db2.gz CIFAMLAGEFXWEA-WOJBJXKFSA-N 1 3 351.579 3.072 10 0 FGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773299 700407286 /nfs/dbraw/zinc/40/72/86/700407286.db2.gz XRASGHVDSOOARP-LSDHHAIUSA-N 1 3 352.910 3.162 10 0 FGAEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773299 700407292 /nfs/dbraw/zinc/40/72/92/700407292.db2.gz XRASGHVDSOOARP-LSDHHAIUSA-N 1 3 352.910 3.162 10 0 FGAEHO CCCN1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000156329603 705111565 /nfs/dbraw/zinc/11/15/65/705111565.db2.gz ZZNFCSGDSAZJIU-RCCFBDPRSA-N 1 3 353.551 3.344 10 0 FGAEHO Cc1ccc([C@@H](C)CC[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)o1 ZINC000012583312 220008957 /nfs/dbraw/zinc/00/89/57/220008957.db2.gz CKMUSAKFRKVRPJ-KRWDZBQOSA-N 1 3 363.546 3.252 10 0 FGAEHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCN2CCC[C@H]2C1 ZINC000171871246 496070749 /nfs/dbraw/zinc/07/07/49/496070749.db2.gz HRQQDPCMNJVYDK-NRFANRHFSA-N 1 3 370.541 3.052 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180644131 496084694 /nfs/dbraw/zinc/08/46/94/496084694.db2.gz PAVJGOKADNWLHB-SJLPKXTDSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644131 496084700 /nfs/dbraw/zinc/08/47/00/496084700.db2.gz PAVJGOKADNWLHB-SJLPKXTDSA-N 1 3 371.529 3.008 10 0 FGAEHO C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249513065 497215356 /nfs/dbraw/zinc/21/53/56/497215356.db2.gz WHCYSPDSDJIFPW-AZUAARDMSA-N 1 3 360.546 3.101 10 0 FGAEHO C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249513065 497215359 /nfs/dbraw/zinc/21/53/59/497215359.db2.gz WHCYSPDSDJIFPW-AZUAARDMSA-N 1 3 360.546 3.101 10 0 FGAEHO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294197338 498616848 /nfs/dbraw/zinc/61/68/48/498616848.db2.gz LPNQIPZMBMPJJM-VQIMIIECSA-N 1 3 374.529 3.333 10 0 FGAEHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805873 722409882 /nfs/dbraw/zinc/40/98/82/722409882.db2.gz VMESJLVMJNNQJE-RCCFBDPRSA-N 1 3 353.551 3.344 10 0 FGAEHO CC1CC[NH+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)CC1 ZINC000045185858 494404687 /nfs/dbraw/zinc/40/46/87/494404687.db2.gz YIHSXUMJJJMONV-FQEVSTJZSA-N 1 3 360.546 3.101 10 0 FGAEHO CN(c1ccccc1CN1CCC[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904611 494768644 /nfs/dbraw/zinc/76/86/44/494768644.db2.gz RECLQHRBKAXHNG-QFIPXVFZSA-N 1 3 367.541 3.288 10 0 FGAEHO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(C[NH+](C)C)cs1)C2 ZINC000092096679 494787922 /nfs/dbraw/zinc/78/79/22/494787922.db2.gz TTYKWMYTDLRXAJ-ZWKOTPCHSA-N 1 3 361.555 3.199 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000245417662 497396363 /nfs/dbraw/zinc/39/63/63/497396363.db2.gz KFMIECBZRQKNDG-QZTJIDSGSA-N 1 3 366.575 3.257 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000245417662 497396367 /nfs/dbraw/zinc/39/63/67/497396367.db2.gz KFMIECBZRQKNDG-QZTJIDSGSA-N 1 3 366.575 3.257 10 0 FGAEHO [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261793730 497451912 /nfs/dbraw/zinc/45/19/12/497451912.db2.gz LDVBXZSDMUHWDI-XLIONFOSSA-N 1 3 350.441 3.390 10 0 FGAEHO C[C@@H]1CCC[C@@H](N2CCC([NH2+][C@H]3CCCN(c4cccnn4)C3)CC2)C1 ZINC000246275982 497681639 /nfs/dbraw/zinc/68/16/39/497681639.db2.gz BBOJRDDKQFAMNV-YZGWKJHDSA-N 1 3 357.546 3.078 10 0 FGAEHO C[C@H](C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000105784852 700504926 /nfs/dbraw/zinc/50/49/26/700504926.db2.gz GPWYCCFVKRCHSN-KZNAEPCWSA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000067569992 494570411 /nfs/dbraw/zinc/57/04/11/494570411.db2.gz FGGIQJQDCAQXBV-NRFANRHFSA-N 1 3 372.557 3.213 10 0 FGAEHO CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000111843965 495119429 /nfs/dbraw/zinc/11/94/29/495119429.db2.gz CRJJLQKOLZXDDV-NRFANRHFSA-N 1 3 372.557 3.213 10 0 FGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171900372 496083640 /nfs/dbraw/zinc/08/36/40/496083640.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@@H]2C1 ZINC000171900372 496083645 /nfs/dbraw/zinc/08/36/45/496083645.db2.gz SNUVKBBZLGBYCA-GHTZIAJQSA-N 1 3 370.541 3.051 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)c1ccsc1 ZINC000247112320 496783088 /nfs/dbraw/zinc/78/30/88/496783088.db2.gz ITSLNBYPRZLZBT-KBAYOESNSA-N 1 3 364.559 3.009 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)c1ccsc1 ZINC000247112320 496783091 /nfs/dbraw/zinc/78/30/91/496783091.db2.gz ITSLNBYPRZLZBT-KBAYOESNSA-N 1 3 364.559 3.009 10 0 FGAEHO COc1ccc(-c2n[nH]cc2CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261615091 497420335 /nfs/dbraw/zinc/42/03/35/497420335.db2.gz CNZYKEWOICWVJM-NQIIRXRSSA-N 1 3 362.477 3.260 10 0 FGAEHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@H]12 ZINC000119488316 700630614 /nfs/dbraw/zinc/63/06/14/700630614.db2.gz NLLUYCOMMIWIPV-FGTMMUONSA-N 1 3 351.535 3.098 10 0 FGAEHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]21 ZINC000119488038 700630702 /nfs/dbraw/zinc/63/07/02/700630702.db2.gz NLLUYCOMMIWIPV-OKZBNKHCSA-N 1 3 351.535 3.098 10 0 FGAEHO C[N@H+](CCc1ccncc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128243 495418577 /nfs/dbraw/zinc/41/85/77/495418577.db2.gz BMTOOKVCZAHMPY-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO C[N@@H+](CCc1ccncc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000106128243 495418581 /nfs/dbraw/zinc/41/85/81/495418581.db2.gz BMTOOKVCZAHMPY-QFIPXVFZSA-N 1 3 353.510 3.002 10 0 FGAEHO CC[C@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCN1CCOC ZINC000120951099 495490690 /nfs/dbraw/zinc/49/06/90/495490690.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 1 3 361.574 3.187 10 0 FGAEHO CC[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCN1CCOC ZINC000120951099 495490693 /nfs/dbraw/zinc/49/06/93/495490693.db2.gz ZXEZLYKAUIRNMN-NRFANRHFSA-N 1 3 361.574 3.187 10 0 FGAEHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCN2CCC[C@@H]2C1 ZINC000171905303 496085923 /nfs/dbraw/zinc/08/59/23/496085923.db2.gz CQFYIIFPHDICGN-OAQYLSRUSA-N 1 3 370.541 3.052 10 0 FGAEHO CN(C)C[C@@H]1CC[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508859 496874896 /nfs/dbraw/zinc/87/48/96/496874896.db2.gz VRGQJYFJWGBXKZ-SIKLNZKXSA-N 1 3 368.521 3.037 10 0 FGAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508859 496874900 /nfs/dbraw/zinc/87/49/00/496874900.db2.gz VRGQJYFJWGBXKZ-SIKLNZKXSA-N 1 3 368.521 3.037 10 0 FGAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246273737 497679881 /nfs/dbraw/zinc/67/98/81/497679881.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 1 3 372.557 3.023 10 0 FGAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000246273737 497679884 /nfs/dbraw/zinc/67/98/84/497679884.db2.gz JCIAKLVHXXZHMZ-NRSPTQNISA-N 1 3 372.557 3.023 10 0 FGAEHO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccncc2)CC1 ZINC000294197326 498617110 /nfs/dbraw/zinc/61/71/10/498617110.db2.gz LPNQIPZMBMPJJM-LPHOPBHVSA-N 1 3 374.529 3.333 10 0 FGAEHO Cc1cc(CN(C)C2CC[NH+](C)CC2)c(C)cc1I ZINC000675075440 721726753 /nfs/dbraw/zinc/72/67/53/721726753.db2.gz PCNHQSCRULGJQM-UHFFFAOYSA-N 1 3 372.294 3.434 10 0 FGAEHO Cc1noc(C)c1CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106128033 495418883 /nfs/dbraw/zinc/41/88/83/495418883.db2.gz LUIGJOBFNUVTSO-NRFANRHFSA-N 1 3 357.498 3.169 10 0 FGAEHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000177364471 496032344 /nfs/dbraw/zinc/03/23/44/496032344.db2.gz KFMIECBZRQKNDG-ROUUACIJSA-N 1 3 366.575 3.257 10 0 FGAEHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000177364471 496032348 /nfs/dbraw/zinc/03/23/48/496032348.db2.gz KFMIECBZRQKNDG-ROUUACIJSA-N 1 3 366.575 3.257 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000078986133 494388741 /nfs/dbraw/zinc/38/87/41/494388741.db2.gz ZXMZHQYEBAYHBO-HXUWFJFHSA-N 1 3 360.546 3.058 10 0 FGAEHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262384954 497548224 /nfs/dbraw/zinc/54/82/24/497548224.db2.gz NKIAVBKPKRBDDE-WBVHZDCISA-N 1 3 371.447 3.113 10 0 FGAEHO CCN1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000048745040 257344072 /nfs/dbraw/zinc/34/40/72/257344072.db2.gz OLMVYWBMRCQDCW-GOSISDBHSA-N 1 3 361.493 3.366 10 0 FGAEHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000081020833 493815054 /nfs/dbraw/zinc/81/50/54/493815054.db2.gz GPAZEEIKWDHRKW-NRFANRHFSA-N 1 3 357.542 3.278 10 0 FGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118267 /nfs/dbraw/zinc/11/82/67/495118267.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 1 3 355.530 3.148 10 0 FGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](Cn2cncn2)C1 ZINC000128578468 495118269 /nfs/dbraw/zinc/11/82/69/495118269.db2.gz HGZATUBPZUKRIR-HXUWFJFHSA-N 1 3 355.530 3.148 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(Br)ccc2F)CC1 ZINC000106124549 495416792 /nfs/dbraw/zinc/41/67/92/495416792.db2.gz DRBZEUZKGPDCMX-ZDUSSCGKSA-N 1 3 373.310 3.113 10 0 FGAEHO CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000130778212 495444347 /nfs/dbraw/zinc/44/43/47/495444347.db2.gz DWLBGKXUDWSVKK-OAQYLSRUSA-N 1 3 368.525 3.240 10 0 FGAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000130778212 495444350 /nfs/dbraw/zinc/44/43/50/495444350.db2.gz DWLBGKXUDWSVKK-OAQYLSRUSA-N 1 3 368.525 3.240 10 0 FGAEHO CCN1CCN([C@@H](C)C[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180120020 495866145 /nfs/dbraw/zinc/86/61/45/495866145.db2.gz DAUBVRHUTNAVFP-IBGZPJMESA-N 1 3 363.549 3.490 10 0 FGAEHO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248663621 497076126 /nfs/dbraw/zinc/07/61/26/497076126.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 1 3 360.542 3.151 10 0 FGAEHO CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248663621 497076130 /nfs/dbraw/zinc/07/61/30/497076130.db2.gz ZWISGALTMWNFSH-BHDDXSALSA-N 1 3 360.542 3.151 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCOCC2 ZINC000249054498 497155701 /nfs/dbraw/zinc/15/57/01/497155701.db2.gz XJWOIIRLVHRXER-LCLWPZTBSA-N 1 3 350.547 3.203 10 0 FGAEHO CN1CCCC[C@H]1CC[N@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302122 /nfs/dbraw/zinc/30/21/22/497302122.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 1 3 354.922 3.024 10 0 FGAEHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000252480536 497302127 /nfs/dbraw/zinc/30/21/27/497302127.db2.gz BDIYKDAMLXSIHD-RBUKOAKNSA-N 1 3 354.922 3.024 10 0 FGAEHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261627806 497422363 /nfs/dbraw/zinc/42/23/63/497422363.db2.gz DQBKJBWZZYHGEB-APWZRJJASA-N 1 3 357.885 3.343 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245476857 497424254 /nfs/dbraw/zinc/42/42/54/497424254.db2.gz TYKDTKVHDYRGQX-DLBZAZTESA-N 1 3 364.559 3.011 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245476857 497424256 /nfs/dbraw/zinc/42/42/56/497424256.db2.gz TYKDTKVHDYRGQX-DLBZAZTESA-N 1 3 364.559 3.011 10 0 FGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773300 700407362 /nfs/dbraw/zinc/40/73/62/700407362.db2.gz XRASGHVDSOOARP-HUUCEWRRSA-N 1 3 352.910 3.162 10 0 FGAEHO CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000090773300 700407363 /nfs/dbraw/zinc/40/73/63/700407363.db2.gz XRASGHVDSOOARP-HUUCEWRRSA-N 1 3 352.910 3.162 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132208780 494839337 /nfs/dbraw/zinc/83/93/37/494839337.db2.gz XTVICZXYCHVIMW-PXNSSMCTSA-N 1 3 360.546 3.008 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132208780 494839338 /nfs/dbraw/zinc/83/93/38/494839338.db2.gz XTVICZXYCHVIMW-PXNSSMCTSA-N 1 3 360.546 3.008 10 0 FGAEHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513778 495307963 /nfs/dbraw/zinc/30/79/63/495307963.db2.gz VRGQJYFJWGBXKZ-UGKGYDQZSA-N 1 3 368.521 3.037 10 0 FGAEHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513778 495307966 /nfs/dbraw/zinc/30/79/66/495307966.db2.gz VRGQJYFJWGBXKZ-UGKGYDQZSA-N 1 3 368.521 3.037 10 0 FGAEHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180511981 496027080 /nfs/dbraw/zinc/02/70/80/496027080.db2.gz HVIDPDGDAMJWDT-AEFFLSMTSA-N 1 3 371.529 3.008 10 0 FGAEHO Cn1cc([C@H]2CCC[N@H+]2CCCCCN2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577372 /nfs/dbraw/zinc/57/73/72/496577372.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 1 3 370.545 3.298 10 0 FGAEHO Cn1cc([C@H]2CCC[N@@H+]2CCCCCN2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577375 /nfs/dbraw/zinc/57/73/75/496577375.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 1 3 370.545 3.298 10 0 FGAEHO Cn1cc([C@H]2CCCN2CCCCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577377 /nfs/dbraw/zinc/57/73/77/496577377.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 1 3 370.545 3.298 10 0 FGAEHO Cn1cc([C@H]2CCCN2CCCCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1 ZINC000157886478 496577382 /nfs/dbraw/zinc/57/73/82/496577382.db2.gz DNDISMONCAOLDF-OYRHEFFESA-N 1 3 370.545 3.298 10 0 FGAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028111 497495147 /nfs/dbraw/zinc/49/51/47/497495147.db2.gz WWCQHMCGQXQCRH-VBNZEHGJSA-N 1 3 350.388 3.265 10 0 FGAEHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000263277977 497748082 /nfs/dbraw/zinc/74/80/82/497748082.db2.gz RAJWMIZNKBARCT-OTYNDTSQSA-N 1 3 355.526 3.078 10 0 FGAEHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653632 712774570 /nfs/dbraw/zinc/77/45/70/712774570.db2.gz MCRIBBQTJBSECV-BZSNNMDCSA-N 1 3 353.551 3.486 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](CC)CC)cc2)C1 ZINC000118545943 495008197 /nfs/dbraw/zinc/00/81/97/495008197.db2.gz NQKBSNAHPAMPMN-GOSISDBHSA-N 1 3 362.518 3.013 10 0 FGAEHO Cc1ncc(CN(C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)s1 ZINC000106127011 495416802 /nfs/dbraw/zinc/41/68/02/495416802.db2.gz BNTGWZZIZYUEDO-HXUWFJFHSA-N 1 3 359.539 3.329 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176226523 495553373 /nfs/dbraw/zinc/55/33/73/495553373.db2.gz SRQCPAUJJPSADM-GOSISDBHSA-N 1 3 352.567 3.059 10 0 FGAEHO CN1CCCC[C@H]1CC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759979 /nfs/dbraw/zinc/75/99/79/495759979.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 1 3 354.922 3.024 10 0 FGAEHO CN1CCCC[C@H]1CC[N@@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950510 495759986 /nfs/dbraw/zinc/75/99/86/495759986.db2.gz BDIYKDAMLXSIHD-OALUTQOASA-N 1 3 354.922 3.024 10 0 FGAEHO COC(=O)C(C)(C)CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261976482 497486038 /nfs/dbraw/zinc/48/60/38/497486038.db2.gz QVRJXIRKKDJXEO-MRXNPFEDSA-N 1 3 350.528 3.282 10 0 FGAEHO CC(C)[N@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280939 497682558 /nfs/dbraw/zinc/68/25/58/497682558.db2.gz BNNSCEQSUIVRQE-FRQCXROJSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246280939 497682563 /nfs/dbraw/zinc/68/25/63/497682563.db2.gz BNNSCEQSUIVRQE-FRQCXROJSA-N 1 3 365.949 3.395 10 0 FGAEHO C[C@@H](CC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000184335128 712671004 /nfs/dbraw/zinc/67/10/04/712671004.db2.gz BZBSKTFOVOMQDG-ZWKOTPCHSA-N 1 3 353.551 3.488 10 0 FGAEHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000715559173 722415878 /nfs/dbraw/zinc/41/58/78/722415878.db2.gz SJZDQUKQSVWZGL-BSDSXHPESA-N 1 3 353.551 3.484 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000177389327 496042955 /nfs/dbraw/zinc/04/29/55/496042955.db2.gz MBYAWMAKJRYSIW-OAQYLSRUSA-N 1 3 372.557 3.085 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000177389327 496042962 /nfs/dbraw/zinc/04/29/62/496042962.db2.gz MBYAWMAKJRYSIW-OAQYLSRUSA-N 1 3 372.557 3.085 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467798 /nfs/dbraw/zinc/46/77/98/496467798.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000157388210 496467803 /nfs/dbraw/zinc/46/78/03/496467803.db2.gz XLJGPETXTMXHQF-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393807 496992751 /nfs/dbraw/zinc/99/27/51/496992751.db2.gz FCRYZILHEAJMTG-FBBABVLZSA-N 1 3 372.557 3.242 10 0 FGAEHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393807 496992753 /nfs/dbraw/zinc/99/27/53/496992753.db2.gz FCRYZILHEAJMTG-FBBABVLZSA-N 1 3 372.557 3.242 10 0 FGAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246028380 497600186 /nfs/dbraw/zinc/60/01/86/497600186.db2.gz RERBZBRQQVCZIU-DBXWQHBBSA-N 1 3 372.557 3.010 10 0 FGAEHO CCc1ccc([C@H](C)NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000051759666 493986786 /nfs/dbraw/zinc/98/67/86/493986786.db2.gz ZZRIIFIMSNHCJF-KRWDZBQOSA-N 1 3 372.557 3.168 10 0 FGAEHO CN(C)C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176176063 495531961 /nfs/dbraw/zinc/53/19/61/495531961.db2.gz YLTQFBQGOMQUHA-OAQYLSRUSA-N 1 3 372.557 3.386 10 0 FGAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CC[C@H](N(C)C)C3)cc2)C1 ZINC000170829382 495618143 /nfs/dbraw/zinc/61/81/43/495618143.db2.gz RERBZBRQQVCZIU-OPYAIIAOSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000174410696 495947453 /nfs/dbraw/zinc/94/74/53/495947453.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000174410696 495947458 /nfs/dbraw/zinc/94/74/58/495947458.db2.gz GFAPRLMTXSKSEE-GIVPXCGWSA-N 1 3 372.557 3.165 10 0 FGAEHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180511924 496027411 /nfs/dbraw/zinc/02/74/11/496027411.db2.gz HVIDPDGDAMJWDT-FUHWJXTLSA-N 1 3 371.529 3.008 10 0 FGAEHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCN2CCC[C@H]2C1 ZINC000171905451 496086286 /nfs/dbraw/zinc/08/62/86/496086286.db2.gz UWYQZJVQJAHMSY-NRFANRHFSA-N 1 3 370.541 3.052 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000245424917 497398482 /nfs/dbraw/zinc/39/84/82/497398482.db2.gz SMJOBKHOFCYUEM-NQIIRXRSSA-N 1 3 372.557 3.338 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN([C@H](C)c2ccccc2)CC1 ZINC000245424917 497398487 /nfs/dbraw/zinc/39/84/87/497398487.db2.gz SMJOBKHOFCYUEM-NQIIRXRSSA-N 1 3 372.557 3.338 10 0 FGAEHO CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261878781 497467688 /nfs/dbraw/zinc/46/76/88/497467688.db2.gz FBIOIRRBLGEZPW-NJYVYQBISA-N 1 3 368.525 3.242 10 0 FGAEHO [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(OCCN4CCCC4)cc3)c2O1 ZINC000067840200 205396604 /nfs/dbraw/zinc/39/66/04/205396604.db2.gz RKVOYESHTNDEDE-LJQANCHMSA-N 1 3 356.441 3.230 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170829386 495618639 /nfs/dbraw/zinc/61/86/39/495618639.db2.gz GCYYPHCXKNLIEP-UEXGIBASSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170829386 495618646 /nfs/dbraw/zinc/61/86/46/495618646.db2.gz GCYYPHCXKNLIEP-UEXGIBASSA-N 1 3 372.557 3.010 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180643538 496082672 /nfs/dbraw/zinc/08/26/72/496082672.db2.gz DZVSQEZWSYTUOF-SJLPKXTDSA-N 1 3 371.529 3.008 10 0 FGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000177557782 496110874 /nfs/dbraw/zinc/11/08/74/496110874.db2.gz FRECLXIAVYSEHQ-HXUWFJFHSA-N 1 3 367.541 3.193 10 0 FGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCCN(c2cccnn2)C1 ZINC000177557782 496110881 /nfs/dbraw/zinc/11/08/81/496110881.db2.gz FRECLXIAVYSEHQ-HXUWFJFHSA-N 1 3 367.541 3.193 10 0 FGAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175864565 496578164 /nfs/dbraw/zinc/57/81/64/496578164.db2.gz CSYAKPHSTHPWPH-HXUWFJFHSA-N 1 3 374.573 3.269 10 0 FGAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000181966471 496616595 /nfs/dbraw/zinc/61/65/95/496616595.db2.gz BEHSICDCNUZUIH-QZTJIDSGSA-N 1 3 374.529 3.026 10 0 FGAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000181966471 496616602 /nfs/dbraw/zinc/61/66/02/496616602.db2.gz BEHSICDCNUZUIH-QZTJIDSGSA-N 1 3 374.529 3.026 10 0 FGAEHO CCN(CC)[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166242047 496681460 /nfs/dbraw/zinc/68/14/60/496681460.db2.gz XLLXRDNTUUNDKW-RDJZCZTQSA-N 1 3 371.447 3.204 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246969092 496738260 /nfs/dbraw/zinc/73/82/60/496738260.db2.gz FZMAZEFMJODKDK-DBXWQHBBSA-N 1 3 372.557 3.240 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246969092 496738261 /nfs/dbraw/zinc/73/82/61/496738261.db2.gz FZMAZEFMJODKDK-DBXWQHBBSA-N 1 3 372.557 3.240 10 0 FGAEHO CCCCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248663624 497076229 /nfs/dbraw/zinc/07/62/29/497076229.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 1 3 360.542 3.151 10 0 FGAEHO CCCCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248663624 497076232 /nfs/dbraw/zinc/07/62/32/497076232.db2.gz ZWISGALTMWNFSH-VSKRKVRLSA-N 1 3 360.542 3.151 10 0 FGAEHO CN(Cc1ccc(F)nc1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000189339277 497087264 /nfs/dbraw/zinc/08/72/64/497087264.db2.gz BRBWCIQBSKSYAI-HXUWFJFHSA-N 1 3 357.473 3.098 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390946 497718308 /nfs/dbraw/zinc/71/83/08/497718308.db2.gz KXAVECJIUMZABC-GPMSIDNRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390946 497718309 /nfs/dbraw/zinc/71/83/09/497718309.db2.gz KXAVECJIUMZABC-GPMSIDNRSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000067569994 494570910 /nfs/dbraw/zinc/57/09/10/494570910.db2.gz FGGIQJQDCAQXBV-OAQYLSRUSA-N 1 3 372.557 3.213 10 0 FGAEHO CN(C)C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000098129828 495060382 /nfs/dbraw/zinc/06/03/82/495060382.db2.gz FJZVIFZBWFESDH-NRFANRHFSA-N 1 3 351.494 3.315 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248128178 496959341 /nfs/dbraw/zinc/95/93/41/496959341.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 1 3 360.542 3.149 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000248128178 496959343 /nfs/dbraw/zinc/95/93/43/496959343.db2.gz ODKOJOYNYFMOBP-HBMCJLEFSA-N 1 3 360.542 3.149 10 0 FGAEHO Cn1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c(-c2cccs2)n1 ZINC000261907804 497473289 /nfs/dbraw/zinc/47/32/89/497473289.db2.gz XPYBXCFHCYHKCS-AEFFLSMTSA-N 1 3 352.507 3.323 10 0 FGAEHO CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640985 497792860 /nfs/dbraw/zinc/79/28/60/497792860.db2.gz JOJUHOHFECDMAN-UYAOXDASSA-N 1 3 364.578 3.013 10 0 FGAEHO C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000379667604 499542912 /nfs/dbraw/zinc/54/29/12/499542912.db2.gz BQZUIMFXALQXEE-OAQYLSRUSA-N 1 3 365.521 3.233 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590861 495318345 /nfs/dbraw/zinc/31/83/45/495318345.db2.gz ITSLNBYPRZLZBT-RYQLBKOJSA-N 1 3 364.559 3.009 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)c1ccsc1 ZINC000113590861 495318348 /nfs/dbraw/zinc/31/83/48/495318348.db2.gz ITSLNBYPRZLZBT-RYQLBKOJSA-N 1 3 364.559 3.009 10 0 FGAEHO CCC[C@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000162040890 496284507 /nfs/dbraw/zinc/28/45/07/496284507.db2.gz AUNRQVJOYDAUGC-LJQANCHMSA-N 1 3 365.949 3.399 10 0 FGAEHO Cc1ncsc1CN(C)C[C@H]1CC[N@H+](CCCN2CCCCC2)C1 ZINC000195254385 496863558 /nfs/dbraw/zinc/86/35/58/496863558.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 1 3 350.576 3.081 10 0 FGAEHO Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCCN2CCCCC2)C1 ZINC000195254385 496863565 /nfs/dbraw/zinc/86/35/65/496863565.db2.gz ZBRXLQLPLARSPD-GOSISDBHSA-N 1 3 350.576 3.081 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247503438 496875530 /nfs/dbraw/zinc/87/55/30/496875530.db2.gz XTVICZXYCHVIMW-XLIONFOSSA-N 1 3 360.546 3.008 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247503438 496875538 /nfs/dbraw/zinc/87/55/38/496875538.db2.gz XTVICZXYCHVIMW-XLIONFOSSA-N 1 3 360.546 3.008 10 0 FGAEHO [NH3+][C@H]1CC[C@H](C(=O)NCCCN(Cc2ccccc2)Cc2ccccc2)C1 ZINC000237893215 497309599 /nfs/dbraw/zinc/30/95/99/497309599.db2.gz LHVOHEXNNRGOPF-VXKWHMMOSA-N 1 3 365.521 3.323 10 0 FGAEHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237989633 497324280 /nfs/dbraw/zinc/32/42/80/497324280.db2.gz NBFBMWPVYBVHPQ-VQTJNVASSA-N 1 3 355.526 3.161 10 0 FGAEHO [NH3+]C[C@@H]1CN(CCC(=O)NCc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261600388 497417551 /nfs/dbraw/zinc/41/75/51/497417551.db2.gz ACZJPKZLFIAMAD-MOPGFXCFSA-N 1 3 371.912 3.021 10 0 FGAEHO NC[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261600388 497417555 /nfs/dbraw/zinc/41/75/55/497417555.db2.gz ACZJPKZLFIAMAD-MOPGFXCFSA-N 1 3 371.912 3.021 10 0 FGAEHO NC[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261600388 497417559 /nfs/dbraw/zinc/41/75/59/497417559.db2.gz ACZJPKZLFIAMAD-MOPGFXCFSA-N 1 3 371.912 3.021 10 0 FGAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000245981881 497589538 /nfs/dbraw/zinc/58/95/38/497589538.db2.gz BEHSICDCNUZUIH-MSOLQXFVSA-N 1 3 374.529 3.026 10 0 FGAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000245981881 497589542 /nfs/dbraw/zinc/58/95/42/497589542.db2.gz BEHSICDCNUZUIH-MSOLQXFVSA-N 1 3 374.529 3.026 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000236881208 497162979 /nfs/dbraw/zinc/16/29/79/497162979.db2.gz OMRHYEQZIOVYIF-DJIMGWMZSA-N 1 3 371.447 3.332 10 0 FGAEHO C[C@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237649765 497268640 /nfs/dbraw/zinc/26/86/40/497268640.db2.gz PHDNOAWNDCQCDG-NRSPTQNISA-N 1 3 357.542 3.183 10 0 FGAEHO [NH3+]C[C@@H]1CN(Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730861 497441176 /nfs/dbraw/zinc/44/11/76/497441176.db2.gz OJRWYNMYKKRINX-MZYLBHOOSA-N 1 3 366.505 3.419 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246028388 497600358 /nfs/dbraw/zinc/60/03/58/497600358.db2.gz RERBZBRQQVCZIU-LVCYWYKZSA-N 1 3 372.557 3.010 10 0 FGAEHO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H](N(C)C)C3)cc2)C1 ZINC000246028388 497600360 /nfs/dbraw/zinc/60/03/60/497600360.db2.gz RERBZBRQQVCZIU-LVCYWYKZSA-N 1 3 372.557 3.010 10 0 FGAEHO CCn1nc(C)c([C@@H](C)[NH2+]CC2(O)CCN(Cc3ccccc3)CC2)c1C ZINC000397624477 499564696 /nfs/dbraw/zinc/56/46/96/499564696.db2.gz KCBQPAILDJNRQY-QGZVFWFLSA-N 1 3 370.541 3.198 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000123416240 495129381 /nfs/dbraw/zinc/12/93/81/495129381.db2.gz HMFJQQLSRDQJGV-OAQYLSRUSA-N 1 3 358.574 3.133 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000123416240 495129385 /nfs/dbraw/zinc/12/93/85/495129385.db2.gz HMFJQQLSRDQJGV-OAQYLSRUSA-N 1 3 358.574 3.133 10 0 FGAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113595818 495319668 /nfs/dbraw/zinc/31/96/68/495319668.db2.gz KGNKJUUWCDZSGL-HXUWFJFHSA-N 1 3 374.573 3.269 10 0 FGAEHO CCO[C@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCOCC2 ZINC000186295850 495933129 /nfs/dbraw/zinc/93/31/29/495933129.db2.gz DLMKKXADHUQMAY-UXHICEINSA-N 1 3 350.547 3.205 10 0 FGAEHO CCO[C@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295850 495933131 /nfs/dbraw/zinc/93/31/31/495933131.db2.gz DLMKKXADHUQMAY-UXHICEINSA-N 1 3 350.547 3.205 10 0 FGAEHO CCN1CCC[C@H]1CN(C)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152702102 496230816 /nfs/dbraw/zinc/23/08/16/496230816.db2.gz GFXUQSBBVVMPQK-MHJFOBGBSA-N 1 3 364.578 3.155 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000166242156 496680491 /nfs/dbraw/zinc/68/04/91/496680491.db2.gz XLLXRDNTUUNDKW-DOTOQJQBSA-N 1 3 371.447 3.204 10 0 FGAEHO CCCCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000195184319 496843614 /nfs/dbraw/zinc/84/36/14/496843614.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 1 3 360.542 3.151 10 0 FGAEHO CCCCOC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000195184319 496843619 /nfs/dbraw/zinc/84/36/19/496843619.db2.gz ZWISGALTMWNFSH-YPAWHYETSA-N 1 3 360.542 3.151 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@H]2CCCN(C3CCC3)C2)C12CCOCC2 ZINC000249054500 497155406 /nfs/dbraw/zinc/15/54/06/497155406.db2.gz XJWOIIRLVHRXER-QGZVKYPTSA-N 1 3 350.547 3.203 10 0 FGAEHO CC(C)N1C[C@@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955404 497292705 /nfs/dbraw/zinc/29/27/05/497292705.db2.gz YUOXJUKUMPDKSW-UYAOXDASSA-N 1 3 357.542 3.134 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390956 497718294 /nfs/dbraw/zinc/71/82/94/497718294.db2.gz KXAVECJIUMZABC-MDZRGWNJSA-N 1 3 365.949 3.395 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](N[C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000246390956 497718296 /nfs/dbraw/zinc/71/82/96/497718296.db2.gz KXAVECJIUMZABC-MDZRGWNJSA-N 1 3 365.949 3.395 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccc(CSC(F)F)o2)CC1 ZINC000121140908 700666676 /nfs/dbraw/zinc/66/66/76/700666676.db2.gz NZSGIIMBUQLMHP-ZDUSSCGKSA-N 1 3 362.486 3.260 10 0 FGAEHO C[C@H](CC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)N1CCCCC1 ZINC000184335106 712671026 /nfs/dbraw/zinc/67/10/26/712671026.db2.gz BZBSKTFOVOMQDG-MSOLQXFVSA-N 1 3 353.551 3.488 10 0 FGAEHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314901 713781875 /nfs/dbraw/zinc/78/18/75/713781875.db2.gz SPBGRGFJBYSEFI-RCCFBDPRSA-N 1 3 353.551 3.342 10 0 FGAEHO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000174236862 495876046 /nfs/dbraw/zinc/87/60/46/495876046.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000174236862 495876053 /nfs/dbraw/zinc/87/60/53/495876053.db2.gz GTAKJBQWPREXRZ-NHCUHLMSSA-N 1 3 372.557 3.024 10 0 FGAEHO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)C12CCOCC2 ZINC000186316254 495944687 /nfs/dbraw/zinc/94/46/87/495944687.db2.gz XCBPWPIVNLGUPO-BHDDXSALSA-N 1 3 372.553 3.115 10 0 FGAEHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000186371628 495969755 /nfs/dbraw/zinc/96/97/55/495969755.db2.gz PQXQLHPWZAWYBI-WOJBJXKFSA-N 1 3 350.547 3.347 10 0 FGAEHO CCO[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371628 495969762 /nfs/dbraw/zinc/96/97/62/495969762.db2.gz PQXQLHPWZAWYBI-WOJBJXKFSA-N 1 3 350.547 3.347 10 0 FGAEHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1)CC2 ZINC000180511942 496027022 /nfs/dbraw/zinc/02/70/22/496027022.db2.gz HVIDPDGDAMJWDT-WMZOPIPTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997732 496747338 /nfs/dbraw/zinc/74/73/38/496747338.db2.gz GTPVEQMWPXXEGO-JYRKZWEQSA-N 1 3 372.557 3.067 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246997732 496747339 /nfs/dbraw/zinc/74/73/39/496747339.db2.gz GTPVEQMWPXXEGO-JYRKZWEQSA-N 1 3 372.557 3.067 10 0 FGAEHO [NH3+][C@@H]1CC[C@H]2CN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000262028102 497495258 /nfs/dbraw/zinc/49/52/58/497495258.db2.gz WWCQHMCGQXQCRH-APHBMKBZSA-N 1 3 350.388 3.265 10 0 FGAEHO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000311910184 498756102 /nfs/dbraw/zinc/75/61/02/498756102.db2.gz DZZBDFFJJWOPIC-AYWYSENESA-N 1 3 350.510 3.298 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000132208611 494839434 /nfs/dbraw/zinc/83/94/34/494839434.db2.gz XTVICZXYCHVIMW-FXAWDEMLSA-N 1 3 360.546 3.008 10 0 FGAEHO CCN(Cc1ccc(CN(C)C)cc1)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132208611 494839439 /nfs/dbraw/zinc/83/94/39/494839439.db2.gz XTVICZXYCHVIMW-FXAWDEMLSA-N 1 3 360.546 3.008 10 0 FGAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000119508942 495179568 /nfs/dbraw/zinc/17/95/68/495179568.db2.gz MIBFYWPIBGFVSK-MRXNPFEDSA-N 1 3 357.498 3.345 10 0 FGAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1CN(C)C ZINC000119508942 495179571 /nfs/dbraw/zinc/17/95/71/495179571.db2.gz MIBFYWPIBGFVSK-MRXNPFEDSA-N 1 3 357.498 3.345 10 0 FGAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000113591017 495318891 /nfs/dbraw/zinc/31/88/91/495318891.db2.gz YCXSWOXZFHDREJ-SFHVURJKSA-N 1 3 360.546 3.023 10 0 FGAEHO COc1ccccc1-c1ccc(C[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000174299984 495899776 /nfs/dbraw/zinc/89/97/76/495899776.db2.gz JIUGJPOKDRKMNU-FQEVSTJZSA-N 1 3 354.494 3.299 10 0 FGAEHO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCOCC2 ZINC000186295835 495932777 /nfs/dbraw/zinc/93/27/77/495932777.db2.gz DLMKKXADHUQMAY-WOJBJXKFSA-N 1 3 350.547 3.205 10 0 FGAEHO CCO[C@@H]1C[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295835 495932783 /nfs/dbraw/zinc/93/27/83/495932783.db2.gz DLMKKXADHUQMAY-WOJBJXKFSA-N 1 3 350.547 3.205 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180644098 496084562 /nfs/dbraw/zinc/08/45/62/496084562.db2.gz PAVJGOKADNWLHB-FUHWJXTLSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644098 496084566 /nfs/dbraw/zinc/08/45/66/496084566.db2.gz PAVJGOKADNWLHB-FUHWJXTLSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)N1C[C@H](C)[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000251955403 497293073 /nfs/dbraw/zinc/29/30/73/497293073.db2.gz YUOXJUKUMPDKSW-AZUAARDMSA-N 1 3 357.542 3.134 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116532612 494809819 /nfs/dbraw/zinc/80/98/19/494809819.db2.gz FRHCQODQYHWBBI-GHTZIAJQSA-N 1 3 374.573 3.488 10 0 FGAEHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000118948804 495055401 /nfs/dbraw/zinc/05/54/01/495055401.db2.gz WPILNSMGLMSLHA-FQEVSTJZSA-N 1 3 360.546 3.154 10 0 FGAEHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](N(C)C)C2)c1 ZINC000118948804 495055405 /nfs/dbraw/zinc/05/54/05/495055405.db2.gz WPILNSMGLMSLHA-FQEVSTJZSA-N 1 3 360.546 3.154 10 0 FGAEHO Cc1ccc(-c2cc(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)on2)cc1 ZINC000170941743 495661031 /nfs/dbraw/zinc/66/10/31/495661031.db2.gz GIWHCIHCYGHKEC-QGZVFWFLSA-N 1 3 357.498 3.175 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997759 496747398 /nfs/dbraw/zinc/74/73/98/496747398.db2.gz GTPVEQMWPXXEGO-QCFAMHMHSA-N 1 3 372.557 3.067 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC000246997759 496747399 /nfs/dbraw/zinc/74/73/99/496747399.db2.gz GTPVEQMWPXXEGO-QCFAMHMHSA-N 1 3 372.557 3.067 10 0 FGAEHO C[C@H](CC(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237657604 497271102 /nfs/dbraw/zinc/27/11/02/497271102.db2.gz PHDNOAWNDCQCDG-HMXCVIKNSA-N 1 3 357.542 3.183 10 0 FGAEHO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000261840990 497460383 /nfs/dbraw/zinc/46/03/83/497460383.db2.gz UMFSVKMSVDXEIQ-SJORKVTESA-N 1 3 357.885 3.343 10 0 FGAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000262028107 497495188 /nfs/dbraw/zinc/49/51/88/497495188.db2.gz WWCQHMCGQXQCRH-UHOFOFEASA-N 1 3 350.388 3.265 10 0 FGAEHO CCC(CC)(CNC(=O)N1CC[C@@H](N(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113626561 495323015 /nfs/dbraw/zinc/32/30/15/495323015.db2.gz MXBSEGIMCMDRDT-PKOBYXMFSA-N 1 3 360.546 3.242 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cc(Br)cs2)CC1 ZINC000172014274 496130279 /nfs/dbraw/zinc/13/02/79/496130279.db2.gz YYFLGUJRNOSOBH-GFCCVEGCSA-N 1 3 361.349 3.035 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248128179 496958283 /nfs/dbraw/zinc/95/82/83/496958283.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 1 3 360.542 3.149 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000248128179 496958286 /nfs/dbraw/zinc/95/82/86/496958286.db2.gz ODKOJOYNYFMOBP-NJYVYQBISA-N 1 3 360.542 3.149 10 0 FGAEHO COc1ccc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC(F)F ZINC000261603307 497416941 /nfs/dbraw/zinc/41/69/41/497416941.db2.gz ARODJPPZNPENNW-SJORKVTESA-N 1 3 362.420 3.471 10 0 FGAEHO CCOCc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC ZINC000261821607 497456355 /nfs/dbraw/zinc/45/63/55/497456355.db2.gz XYJNSIJABUGDIC-RTWAWAEBSA-N 1 3 354.494 3.406 10 0 FGAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000262326722 497540905 /nfs/dbraw/zinc/54/09/05/497540905.db2.gz GCWKTYVEMPKXSL-DOTOQJQBSA-N 1 3 371.447 3.113 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000194179798 497595177 /nfs/dbraw/zinc/59/51/77/497595177.db2.gz HBPPUBCTWNIOQT-KRWDZBQOSA-N 1 3 366.575 3.086 10 0 FGAEHO O[C@@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COCc1ccco1 ZINC000312905559 498762889 /nfs/dbraw/zinc/76/28/89/498762889.db2.gz JYSDHSMORICZEZ-SFTDATJTSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905559 498762895 /nfs/dbraw/zinc/76/28/95/498762895.db2.gz JYSDHSMORICZEZ-SFTDATJTSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905559 498762898 /nfs/dbraw/zinc/76/28/98/498762898.db2.gz JYSDHSMORICZEZ-SFTDATJTSA-N 1 3 372.509 3.049 10 0 FGAEHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033577 713662572 /nfs/dbraw/zinc/66/25/72/713662572.db2.gz MCRIBBQTJBSECV-SQNIBIBYSA-N 1 3 353.551 3.486 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3cccs3)s2)CC1 ZINC000121130206 494611141 /nfs/dbraw/zinc/61/11/41/494611141.db2.gz DTDNMMQUBQSGDA-AWEZNQCLSA-N 1 3 365.568 3.396 10 0 FGAEHO CCC(CC)(CNC(=O)N1CC[C@H](N(C)C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000113626564 495322704 /nfs/dbraw/zinc/32/27/04/495322704.db2.gz MXBSEGIMCMDRDT-MJGOQNOKSA-N 1 3 360.546 3.242 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)C12CCOCC2 ZINC000249053350 497155613 /nfs/dbraw/zinc/15/56/13/497155613.db2.gz XCBPWPIVNLGUPO-BHIFYINESA-N 1 3 372.553 3.115 10 0 FGAEHO Cc1csc([C@H]2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192728987 497198257 /nfs/dbraw/zinc/19/82/57/497198257.db2.gz NYXBHBKZYBCORI-SFHVURJKSA-N 1 3 350.576 3.047 10 0 FGAEHO Cc1csc([C@H]2CCC[N@H+](CCCN3CCN(C(C)C)CC3)C2)n1 ZINC000192728987 497198262 /nfs/dbraw/zinc/19/82/62/497198262.db2.gz NYXBHBKZYBCORI-SFHVURJKSA-N 1 3 350.576 3.047 10 0 FGAEHO Cc1nn(-c2ccccn2)c(C)c1CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261801839 497454119 /nfs/dbraw/zinc/45/41/19/497454119.db2.gz GXWFGCCEKXWDCR-CTNGQTDRSA-N 1 3 361.493 3.058 10 0 FGAEHO O[C@@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COCc1ccco1 ZINC000312905548 498762550 /nfs/dbraw/zinc/76/25/50/498762550.db2.gz JYSDHSMORICZEZ-RTWAWAEBSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905548 498762560 /nfs/dbraw/zinc/76/25/60/498762560.db2.gz JYSDHSMORICZEZ-RTWAWAEBSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905548 498762564 /nfs/dbraw/zinc/76/25/64/498762564.db2.gz JYSDHSMORICZEZ-RTWAWAEBSA-N 1 3 372.509 3.049 10 0 FGAEHO CC[NH+](CC)CCNc1cc(N2CCOCC2)nc2ccc(Cl)cc21 ZINC000253495203 535542059 /nfs/dbraw/zinc/54/20/59/535542059.db2.gz JMVFBMURMMNLRY-UHFFFAOYSA-N 1 3 362.905 3.479 10 0 FGAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000116529055 494808434 /nfs/dbraw/zinc/80/84/34/494808434.db2.gz SQDVFBGQYSTAAK-ROUUACIJSA-N 1 3 360.546 3.242 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000182584405 495624292 /nfs/dbraw/zinc/62/42/92/495624292.db2.gz DFTKVMVGUCUKQK-IBGZPJMESA-N 1 3 352.567 3.014 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182143681 496686555 /nfs/dbraw/zinc/68/65/55/496686555.db2.gz DUBVHKPZCORDEO-HXUWFJFHSA-N 1 3 359.558 3.381 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000245417665 497396095 /nfs/dbraw/zinc/39/60/95/497396095.db2.gz KFMIECBZRQKNDG-ZWKOTPCHSA-N 1 3 366.575 3.257 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000245417665 497396100 /nfs/dbraw/zinc/39/61/00/497396100.db2.gz KFMIECBZRQKNDG-ZWKOTPCHSA-N 1 3 366.575 3.257 10 0 FGAEHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000156591618 705123686 /nfs/dbraw/zinc/12/36/86/705123686.db2.gz SJZDQUKQSVWZGL-FJIDUMEYSA-N 1 3 353.551 3.484 10 0 FGAEHO C[C@@H]1CCCCN1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195436 713636843 /nfs/dbraw/zinc/63/68/43/713636843.db2.gz UGTLTOSIBPLYBN-QZTJIDSGSA-N 1 3 353.551 3.488 10 0 FGAEHO CC[C@@H]1CN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CCN1CCOC ZINC000120950936 495491020 /nfs/dbraw/zinc/49/10/20/495491020.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 1 3 361.574 3.187 10 0 FGAEHO CC[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCN1CCOC ZINC000120950936 495491023 /nfs/dbraw/zinc/49/10/23/495491023.db2.gz ZXEZLYKAUIRNMN-OAQYLSRUSA-N 1 3 361.574 3.187 10 0 FGAEHO CN1CCCC[C@@H]1CC[N@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759666 /nfs/dbraw/zinc/75/96/66/495759666.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 1 3 354.922 3.024 10 0 FGAEHO CN1CCCC[C@@H]1CC[N@@H+](C)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000173950496 495759670 /nfs/dbraw/zinc/75/96/70/495759670.db2.gz BDIYKDAMLXSIHD-MOPGFXCFSA-N 1 3 354.922 3.024 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCOCC2 ZINC000186498813 496021234 /nfs/dbraw/zinc/02/12/34/496021234.db2.gz XJWOIIRLVHRXER-KVPLUYHFSA-N 1 3 350.547 3.203 10 0 FGAEHO CCC[C@@H](C(=O)NCC1CCN(Cc2ccccc2Cl)CC1)[NH+](C)C ZINC000162040766 496284142 /nfs/dbraw/zinc/28/41/42/496284142.db2.gz AUNRQVJOYDAUGC-IBGZPJMESA-N 1 3 365.949 3.399 10 0 FGAEHO [NH3+]C[C@@H]1CN(Cc2ccc(Oc3cnccn3)cc2)C[C@H]1c1ccccc1 ZINC000261811024 497455170 /nfs/dbraw/zinc/45/51/70/497455170.db2.gz WVCCASMZNQBBSE-CTNGQTDRSA-N 1 3 360.461 3.443 10 0 FGAEHO CN(c1ccccc1CN1CCC[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000131904800 494770418 /nfs/dbraw/zinc/77/04/18/494770418.db2.gz RECLQHRBKAXHNG-JOCHJYFZSA-N 1 3 367.541 3.288 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000120896587 495480586 /nfs/dbraw/zinc/48/05/86/495480586.db2.gz FZMAZEFMJODKDK-LQWHRVPQSA-N 1 3 372.557 3.240 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000120896587 495480588 /nfs/dbraw/zinc/48/05/88/495480588.db2.gz FZMAZEFMJODKDK-LQWHRVPQSA-N 1 3 372.557 3.240 10 0 FGAEHO Cc1ncsc1CC[N@@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172535643 496331687 /nfs/dbraw/zinc/33/16/87/496331687.db2.gz ULQMJHSTZGUCQN-HXUWFJFHSA-N 1 3 373.566 3.371 10 0 FGAEHO Cc1ncsc1CC[N@H+](C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000172535643 496331688 /nfs/dbraw/zinc/33/16/88/496331688.db2.gz ULQMJHSTZGUCQN-HXUWFJFHSA-N 1 3 373.566 3.371 10 0 FGAEHO CC(C)N1C[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000164778767 496632458 /nfs/dbraw/zinc/63/24/58/496632458.db2.gz YUOXJUKUMPDKSW-ICSRJNTNSA-N 1 3 357.542 3.134 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247536631 496882936 /nfs/dbraw/zinc/88/29/36/496882936.db2.gz QCXQKEQVPVLKSQ-OPYAIIAOSA-N 1 3 370.541 3.090 10 0 FGAEHO C[C@H](c1ccccc1)N1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000247536631 496882941 /nfs/dbraw/zinc/88/29/41/496882941.db2.gz QCXQKEQVPVLKSQ-OPYAIIAOSA-N 1 3 370.541 3.090 10 0 FGAEHO CCN(CC)[C@H](CNC(=O)[C@H]1CC[C@@H]([NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000236885429 497162720 /nfs/dbraw/zinc/16/27/20/497162720.db2.gz OMRHYEQZIOVYIF-USXIJHARSA-N 1 3 371.447 3.332 10 0 FGAEHO CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261878780 497468101 /nfs/dbraw/zinc/46/81/01/497468101.db2.gz FBIOIRRBLGEZPW-NJDAHSKKSA-N 1 3 368.525 3.242 10 0 FGAEHO CCN1CCN(CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180109586 495861119 /nfs/dbraw/zinc/86/11/19/495861119.db2.gz JODHOJBFDJFUNF-UHFFFAOYSA-N 1 3 363.549 3.492 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCOCC2 ZINC000186295801 495932247 /nfs/dbraw/zinc/93/22/47/495932247.db2.gz DLMKKXADHUQMAY-VQTJNVASSA-N 1 3 350.547 3.205 10 0 FGAEHO CCO[C@@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295801 495932253 /nfs/dbraw/zinc/93/22/53/495932253.db2.gz DLMKKXADHUQMAY-VQTJNVASSA-N 1 3 350.547 3.205 10 0 FGAEHO CCO[C@H]1C[C@H]([NH2+]C2CCN(CC3CCCC3)CC2)C12CCOCC2 ZINC000186295816 495932669 /nfs/dbraw/zinc/93/26/69/495932669.db2.gz DLMKKXADHUQMAY-PMACEKPBSA-N 1 3 350.547 3.205 10 0 FGAEHO CCO[C@H]1C[C@H](NC2CC[NH+](CC3CCCC3)CC2)C12CCOCC2 ZINC000186295816 495932676 /nfs/dbraw/zinc/93/26/76/495932676.db2.gz DLMKKXADHUQMAY-PMACEKPBSA-N 1 3 350.547 3.205 10 0 FGAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N(Cc1ccccc1)C1CCN(C)CC1 ZINC000175773986 496539414 /nfs/dbraw/zinc/53/94/14/496539414.db2.gz ACZAZBVGDRBDDV-SFHVURJKSA-N 1 3 360.546 3.023 10 0 FGAEHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393810 496992786 /nfs/dbraw/zinc/99/27/86/496992786.db2.gz FCRYZILHEAJMTG-HFSMHLIXSA-N 1 3 372.557 3.242 10 0 FGAEHO C[C@H](NC(=O)N[C@H](CN(C)C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393810 496992790 /nfs/dbraw/zinc/99/27/90/496992790.db2.gz FCRYZILHEAJMTG-HFSMHLIXSA-N 1 3 372.557 3.242 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000078986128 494388991 /nfs/dbraw/zinc/38/89/91/494388991.db2.gz ZXMZHQYEBAYHBO-FQEVSTJZSA-N 1 3 360.546 3.058 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142439 494615947 /nfs/dbraw/zinc/61/59/47/494615947.db2.gz RMELTHZKBMRPFM-CQSZACIVSA-N 1 3 360.420 3.110 10 0 FGAEHO CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000246640979 497793002 /nfs/dbraw/zinc/79/30/02/497793002.db2.gz JOJUHOHFECDMAN-AZUAARDMSA-N 1 3 364.578 3.013 10 0 FGAEHO CC(C)(C)CCCCCC(=O)OC[C@H](O)CNCc1cccc(C[NH3+])c1 ZINC000038656297 494115715 /nfs/dbraw/zinc/11/57/15/494115715.db2.gz KCKMOSLSORKFQG-LJQANCHMSA-N 1 3 364.530 3.136 10 0 FGAEHO C[N@@H+](Cc1ccc(CO)cc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182752729 495689304 /nfs/dbraw/zinc/68/93/04/495689304.db2.gz KFIJFCAILLLLOY-QHCPKHFHSA-N 1 3 368.521 3.056 10 0 FGAEHO C[N@H+](Cc1ccc(CO)cc1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000182752729 495689309 /nfs/dbraw/zinc/68/93/09/495689309.db2.gz KFIJFCAILLLLOY-QHCPKHFHSA-N 1 3 368.521 3.056 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000177389349 496042579 /nfs/dbraw/zinc/04/25/79/496042579.db2.gz MBYAWMAKJRYSIW-NRFANRHFSA-N 1 3 372.557 3.085 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(Cc2ccccc2C)CC1 ZINC000177389349 496042583 /nfs/dbraw/zinc/04/25/83/496042583.db2.gz MBYAWMAKJRYSIW-NRFANRHFSA-N 1 3 372.557 3.085 10 0 FGAEHO [NH3+][C@@H]1CC[C@@H]2CN(Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000262028104 497495487 /nfs/dbraw/zinc/49/54/87/497495487.db2.gz WWCQHMCGQXQCRH-DAXOMENPSA-N 1 3 350.388 3.265 10 0 FGAEHO CC[C@H]([NH2+]C[C@@H]1CCN(CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188653675 712774684 /nfs/dbraw/zinc/77/46/84/712774684.db2.gz MCRIBBQTJBSECV-OKZBNKHCSA-N 1 3 353.551 3.486 10 0 FGAEHO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCC1 ZINC000301314315 713781849 /nfs/dbraw/zinc/78/18/49/713781849.db2.gz GPWYCCFVKRCHSN-SQNIBIBYSA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)C[C@@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079198170 494418134 /nfs/dbraw/zinc/41/81/34/494418134.db2.gz ZMIDLMIENJEQDC-FQEVSTJZSA-N 1 3 360.546 3.058 10 0 FGAEHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513779 495308000 /nfs/dbraw/zinc/30/80/00/495308000.db2.gz VRGQJYFJWGBXKZ-KNQAVFIVSA-N 1 3 368.521 3.037 10 0 FGAEHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000113513779 495308002 /nfs/dbraw/zinc/30/80/02/495308002.db2.gz VRGQJYFJWGBXKZ-KNQAVFIVSA-N 1 3 368.521 3.037 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000180158405 495885299 /nfs/dbraw/zinc/88/52/99/495885299.db2.gz YQHKTOFTSLPOTN-TYPHKJRUSA-N 1 3 356.510 3.172 10 0 FGAEHO C[C@H](CC(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000263272064 497746490 /nfs/dbraw/zinc/74/64/90/497746490.db2.gz PHDNOAWNDCQCDG-GIVPXCGWSA-N 1 3 357.542 3.183 10 0 FGAEHO O[C@H](C[NH2+]C[C@@H]1CCCCN(Cc2ccccc2)C1)COCc1ccco1 ZINC000312905540 498763213 /nfs/dbraw/zinc/76/32/13/498763213.db2.gz JYSDHSMORICZEZ-LEWJYISDSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@H](CNC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905540 498763217 /nfs/dbraw/zinc/76/32/17/498763217.db2.gz JYSDHSMORICZEZ-LEWJYISDSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@H](CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905540 498763221 /nfs/dbraw/zinc/76/32/21/498763221.db2.gz JYSDHSMORICZEZ-LEWJYISDSA-N 1 3 372.509 3.049 10 0 FGAEHO O=C(OCCN1CCCCC1)[C@H](OCC[NH+]1CCCCC1)c1ccccc1 ZINC000016892132 210234878 /nfs/dbraw/zinc/23/48/78/210234878.db2.gz QDUYACONTSLLLU-OAQYLSRUSA-N 1 3 374.525 3.259 10 0 FGAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185986 494404320 /nfs/dbraw/zinc/40/43/20/494404320.db2.gz WHCYSPDSDJIFPW-QUCCMNQESA-N 1 3 360.546 3.101 10 0 FGAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CN(C)C)c2ccccc2)C1 ZINC000045185986 494404321 /nfs/dbraw/zinc/40/43/21/494404321.db2.gz WHCYSPDSDJIFPW-QUCCMNQESA-N 1 3 360.546 3.101 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000079198175 494418123 /nfs/dbraw/zinc/41/81/23/494418123.db2.gz ZMIDLMIENJEQDC-HXUWFJFHSA-N 1 3 360.546 3.058 10 0 FGAEHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182378431 495539553 /nfs/dbraw/zinc/53/95/53/495539553.db2.gz FCRYZILHEAJMTG-DSKINZAPSA-N 1 3 372.557 3.242 10 0 FGAEHO C[C@H](NC(=O)N[C@@H](CN(C)C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182378431 495539558 /nfs/dbraw/zinc/53/95/58/495539558.db2.gz FCRYZILHEAJMTG-DSKINZAPSA-N 1 3 372.557 3.242 10 0 FGAEHO Cc1c(OCCC[NH+]2CCCCC2)cc(Cl)cc1N1CCNCC1 ZINC000149747418 495598888 /nfs/dbraw/zinc/59/88/88/495598888.db2.gz QZGJRDFHUSXJMZ-UHFFFAOYSA-N 1 3 351.922 3.313 10 0 FGAEHO O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CCN2CCC[C@@H]2C1 ZINC000171871243 496070668 /nfs/dbraw/zinc/07/06/68/496070668.db2.gz HRQQDPCMNJVYDK-OAQYLSRUSA-N 1 3 370.541 3.052 10 0 FGAEHO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246969137 496738697 /nfs/dbraw/zinc/73/86/97/496738697.db2.gz FZMAZEFMJODKDK-OPYAIIAOSA-N 1 3 372.557 3.240 10 0 FGAEHO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000246969137 496738702 /nfs/dbraw/zinc/73/87/02/496738702.db2.gz FZMAZEFMJODKDK-OPYAIIAOSA-N 1 3 372.557 3.240 10 0 FGAEHO O[C@@H](CNC1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCCC1 ZINC000193990514 497541325 /nfs/dbraw/zinc/54/13/25/497541325.db2.gz LPEAGRYZYCENBX-VJFUWPCTSA-N 1 3 367.331 3.132 10 0 FGAEHO CCN1CCC[C@@H](NC(=O)Nc2ccccc2OCC[NH+](CC)CC)C1 ZINC000194331481 497637340 /nfs/dbraw/zinc/63/73/40/497637340.db2.gz NFTRWKRDJZCFDG-QGZVFWFLSA-N 1 3 362.518 3.013 10 0 FGAEHO C[C@@H](C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)CN1CCCCC1 ZINC000130012187 700794799 /nfs/dbraw/zinc/79/47/99/700794799.db2.gz MYZNFXRXSXVVRV-ZWKOTPCHSA-N 1 3 353.551 3.345 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116532616 494809851 /nfs/dbraw/zinc/80/98/51/494809851.db2.gz FRHCQODQYHWBBI-WIYYLYMNSA-N 1 3 374.573 3.488 10 0 FGAEHO CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000111843966 495119679 /nfs/dbraw/zinc/11/96/79/495119679.db2.gz CRJJLQKOLZXDDV-OAQYLSRUSA-N 1 3 372.557 3.213 10 0 FGAEHO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000123416514 495129538 /nfs/dbraw/zinc/12/95/38/495129538.db2.gz HMFJQQLSRDQJGV-NRFANRHFSA-N 1 3 358.574 3.133 10 0 FGAEHO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccccc1N(C)C1CCN(C)CC1 ZINC000123416514 495129540 /nfs/dbraw/zinc/12/95/40/495129540.db2.gz HMFJQQLSRDQJGV-NRFANRHFSA-N 1 3 358.574 3.133 10 0 FGAEHO Cc1nn(-c2ccccc2)c(C)c1CN(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179516009 495624969 /nfs/dbraw/zinc/62/49/69/495624969.db2.gz BPBZUAYQHKAPPN-QGZVFWFLSA-N 1 3 370.541 3.014 10 0 FGAEHO COC(=O)c1ccc(CN2CC[C@@H](CNc3cccc(C)n3)C2)cc1F ZINC000150914667 495679183 /nfs/dbraw/zinc/67/91/83/495679183.db2.gz FHMBPZQJVMIHSJ-INIZCTEOSA-N 1 3 357.429 3.250 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CCCN(C3CCC3)C2)C12CCOCC2 ZINC000249054495 497156155 /nfs/dbraw/zinc/15/61/55/497156155.db2.gz XJWOIIRLVHRXER-IZBJGVDFSA-N 1 3 350.547 3.203 10 0 FGAEHO COc1cc(CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC(F)F ZINC000261649583 497427492 /nfs/dbraw/zinc/42/74/92/497427492.db2.gz HCGBKHIDTDTVDX-SJORKVTESA-N 1 3 362.420 3.471 10 0 FGAEHO CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262326725 497540604 /nfs/dbraw/zinc/54/06/04/497540604.db2.gz GCWKTYVEMPKXSL-WBVHZDCISA-N 1 3 371.447 3.113 10 0 FGAEHO C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000379667602 499542606 /nfs/dbraw/zinc/54/26/06/499542606.db2.gz BQZUIMFXALQXEE-NRFANRHFSA-N 1 3 365.521 3.233 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(Br)s2)CC1 ZINC000106124564 495417335 /nfs/dbraw/zinc/41/73/35/495417335.db2.gz ANCJRUGXNLEJBT-GFCCVEGCSA-N 1 3 361.349 3.035 10 0 FGAEHO Cc1cccnc1CN(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000180478028 496012272 /nfs/dbraw/zinc/01/22/72/496012272.db2.gz YLUPOPPHUVUKLY-QFIPXVFZSA-N 1 3 353.510 3.267 10 0 FGAEHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccsc1 ZINC000177364446 496032450 /nfs/dbraw/zinc/03/24/50/496032450.db2.gz KFMIECBZRQKNDG-MSOLQXFVSA-N 1 3 366.575 3.257 10 0 FGAEHO CCN(CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000177364446 496032458 /nfs/dbraw/zinc/03/24/58/496032458.db2.gz KFMIECBZRQKNDG-MSOLQXFVSA-N 1 3 366.575 3.257 10 0 FGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247596767 496894562 /nfs/dbraw/zinc/89/45/62/496894562.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCN2CCC[C@H]2C1 ZINC000247596767 496894567 /nfs/dbraw/zinc/89/45/67/496894567.db2.gz SNUVKBBZLGBYCA-RXVVDRJESA-N 1 3 370.541 3.051 10 0 FGAEHO CN(CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000237133661 497195586 /nfs/dbraw/zinc/19/55/86/497195586.db2.gz YDGHMCSPKRRSHM-FCHUYYIVSA-N 1 3 365.521 3.275 10 0 FGAEHO CN(C)Cc1cccc(C[N@@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072477159 536028290 /nfs/dbraw/zinc/02/82/90/536028290.db2.gz XGNQLKAUTINGNZ-UHFFFAOYSA-N 1 3 365.525 3.173 10 0 FGAEHO CN(C)Cc1cccc(C[N@H+]2CCCC23CCN(c2ncccn2)CC3)c1 ZINC000072477159 536028294 /nfs/dbraw/zinc/02/82/94/536028294.db2.gz XGNQLKAUTINGNZ-UHFFFAOYSA-N 1 3 365.525 3.173 10 0 FGAEHO CCc1ccc([C@@H]2C[C@H]3CN(C4CCN(C)CC4)C(=O)[C@]34CCC[N@H+]24)cc1 ZINC000020119692 220314602 /nfs/dbraw/zinc/31/46/02/220314602.db2.gz NECQAILRCXBPAJ-RRPUWOKSSA-N 1 3 367.537 3.081 10 0 FGAEHO CCc1ccc([C@@H]2C[C@H]3CN(C4CCN(C)CC4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000020119692 220314605 /nfs/dbraw/zinc/31/46/05/220314605.db2.gz NECQAILRCXBPAJ-RRPUWOKSSA-N 1 3 367.537 3.081 10 0 FGAEHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000085395623 494120439 /nfs/dbraw/zinc/12/04/39/494120439.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 1 3 372.557 3.023 10 0 FGAEHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000085395623 494120440 /nfs/dbraw/zinc/12/04/40/494120440.db2.gz JCIAKLVHXXZHMZ-GIVPXCGWSA-N 1 3 372.557 3.023 10 0 FGAEHO CCC(CC)(CNC(=O)N1CC[C@H](N(C)C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000113626558 495322771 /nfs/dbraw/zinc/32/27/71/495322771.db2.gz MXBSEGIMCMDRDT-HKUYNNGSSA-N 1 3 360.546 3.242 10 0 FGAEHO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CC[C@H](N(C)C)C2)C1 ZINC000170829392 495617942 /nfs/dbraw/zinc/61/79/42/495617942.db2.gz GCYYPHCXKNLIEP-OPYAIIAOSA-N 1 3 372.557 3.010 10 0 FGAEHO CN(C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000170832995 495619396 /nfs/dbraw/zinc/61/93/96/495619396.db2.gz DBQUSGABLABURU-OAQYLSRUSA-N 1 3 372.557 3.297 10 0 FGAEHO CN(C)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000170832995 495619399 /nfs/dbraw/zinc/61/93/99/495619399.db2.gz DBQUSGABLABURU-OAQYLSRUSA-N 1 3 372.557 3.297 10 0 FGAEHO CN(C)[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000170832997 495619546 /nfs/dbraw/zinc/61/95/46/495619546.db2.gz DBQUSGABLABURU-NRFANRHFSA-N 1 3 372.557 3.297 10 0 FGAEHO CN(C)[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000170832997 495619549 /nfs/dbraw/zinc/61/95/49/495619549.db2.gz DBQUSGABLABURU-NRFANRHFSA-N 1 3 372.557 3.297 10 0 FGAEHO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000186371589 495969566 /nfs/dbraw/zinc/96/95/66/495969566.db2.gz PQXQLHPWZAWYBI-VQTJNVASSA-N 1 3 350.547 3.347 10 0 FGAEHO CCO[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371589 495969569 /nfs/dbraw/zinc/96/95/69/495969569.db2.gz PQXQLHPWZAWYBI-VQTJNVASSA-N 1 3 350.547 3.347 10 0 FGAEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900367 496083780 /nfs/dbraw/zinc/08/37/80/496083780.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900367 496083787 /nfs/dbraw/zinc/08/37/87/496083787.db2.gz KXSVCINRAAMQDH-WIYYLYMNSA-N 1 3 370.541 3.051 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176152991 496705726 /nfs/dbraw/zinc/70/57/26/496705726.db2.gz TYKDTKVHDYRGQX-SJORKVTESA-N 1 3 364.559 3.011 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000176152991 496705729 /nfs/dbraw/zinc/70/57/29/496705729.db2.gz TYKDTKVHDYRGQX-SJORKVTESA-N 1 3 364.559 3.011 10 0 FGAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247109488 496781382 /nfs/dbraw/zinc/78/13/82/496781382.db2.gz DUHIZKMYOWPACI-LEWJYISDSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000247109488 496781387 /nfs/dbraw/zinc/78/13/87/496781387.db2.gz DUHIZKMYOWPACI-LEWJYISDSA-N 1 3 372.557 3.024 10 0 FGAEHO CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261878777 497467366 /nfs/dbraw/zinc/46/73/66/497467366.db2.gz FBIOIRRBLGEZPW-HBMCJLEFSA-N 1 3 368.525 3.242 10 0 FGAEHO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000245683796 497500823 /nfs/dbraw/zinc/50/08/23/497500823.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 1 3 372.557 3.024 10 0 FGAEHO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCN(CC)C1 ZINC000245683796 497500825 /nfs/dbraw/zinc/50/08/25/497500825.db2.gz GTAKJBQWPREXRZ-SFTDATJTSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000177518445 496094645 /nfs/dbraw/zinc/09/46/45/496094645.db2.gz SMJOBKHOFCYUEM-GHTZIAJQSA-N 1 3 372.557 3.338 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 ZINC000177518445 496094648 /nfs/dbraw/zinc/09/46/48/496094648.db2.gz SMJOBKHOFCYUEM-GHTZIAJQSA-N 1 3 372.557 3.338 10 0 FGAEHO CCO[C@@H]1C[C@H]([N@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577173 496819551 /nfs/dbraw/zinc/81/95/51/496819551.db2.gz CIFAMLAGEFXWEA-VQTJNVASSA-N 1 3 351.579 3.072 10 0 FGAEHO CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CCN(C(C)C)CC2)C12CCCC2 ZINC000191577173 496819557 /nfs/dbraw/zinc/81/95/57/496819557.db2.gz CIFAMLAGEFXWEA-VQTJNVASSA-N 1 3 351.579 3.072 10 0 FGAEHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508848 496875113 /nfs/dbraw/zinc/87/51/13/496875113.db2.gz VRGQJYFJWGBXKZ-DENIHFKCSA-N 1 3 368.521 3.037 10 0 FGAEHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(c2ccccc2)c2ccccc2)C1 ZINC000247508848 496875119 /nfs/dbraw/zinc/87/51/19/496875119.db2.gz VRGQJYFJWGBXKZ-DENIHFKCSA-N 1 3 368.521 3.037 10 0 FGAEHO CN(Cc1ccc(F)nc1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000189339255 497087378 /nfs/dbraw/zinc/08/73/78/497087378.db2.gz BRBWCIQBSKSYAI-FQEVSTJZSA-N 1 3 357.473 3.098 10 0 FGAEHO C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249513067 497215569 /nfs/dbraw/zinc/21/55/69/497215569.db2.gz WHCYSPDSDJIFPW-UYAOXDASSA-N 1 3 360.546 3.101 10 0 FGAEHO C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CN(C)C)c2ccccc2)C1 ZINC000249513067 497215573 /nfs/dbraw/zinc/21/55/73/497215573.db2.gz WHCYSPDSDJIFPW-UYAOXDASSA-N 1 3 360.546 3.101 10 0 FGAEHO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000237886757 497308452 /nfs/dbraw/zinc/30/84/52/497308452.db2.gz RAJWMIZNKBARCT-VTHDOGFWSA-N 1 3 355.526 3.078 10 0 FGAEHO CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(CCC[NH+]3CCCCC3)C[C@@H]12 ZINC000249371653 713666215 /nfs/dbraw/zinc/66/62/15/713666215.db2.gz NLLUYCOMMIWIPV-KZNAEPCWSA-N 1 3 351.535 3.098 10 0 FGAEHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000700805871 722409839 /nfs/dbraw/zinc/40/98/39/722409839.db2.gz VMESJLVMJNNQJE-KSZLIROESA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000081020834 493815042 /nfs/dbraw/zinc/81/50/42/493815042.db2.gz GPAZEEIKWDHRKW-OAQYLSRUSA-N 1 3 357.542 3.278 10 0 FGAEHO C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118297 /nfs/dbraw/zinc/11/82/97/495118297.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 1 3 355.530 3.148 10 0 FGAEHO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](Cn2cncn2)C1 ZINC000128578246 495118300 /nfs/dbraw/zinc/11/83/00/495118300.db2.gz HGZATUBPZUKRIR-FQEVSTJZSA-N 1 3 355.530 3.148 10 0 FGAEHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000103514609 495246035 /nfs/dbraw/zinc/24/60/35/495246035.db2.gz FUXRTLDWQCTPKZ-NRFANRHFSA-N 1 3 372.557 3.024 10 0 FGAEHO CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000103514611 495246071 /nfs/dbraw/zinc/24/60/71/495246071.db2.gz FUXRTLDWQCTPKZ-OAQYLSRUSA-N 1 3 372.557 3.024 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159061084 495648175 /nfs/dbraw/zinc/64/81/75/495648175.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 1 3 360.542 3.149 10 0 FGAEHO CC(C)(C)OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000159061084 495648178 /nfs/dbraw/zinc/64/81/78/495648178.db2.gz ODKOJOYNYFMOBP-NJDAHSKKSA-N 1 3 360.542 3.149 10 0 FGAEHO O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CCN2CCC[C@H]2C1 ZINC000171905304 496085819 /nfs/dbraw/zinc/08/58/19/496085819.db2.gz CQFYIIFPHDICGN-NRFANRHFSA-N 1 3 370.541 3.052 10 0 FGAEHO O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCN2CCC[C@@H]2C1 ZINC000171905450 496086265 /nfs/dbraw/zinc/08/62/65/496086265.db2.gz UWYQZJVQJAHMSY-OAQYLSRUSA-N 1 3 370.541 3.052 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438260 496858712 /nfs/dbraw/zinc/85/87/12/496858712.db2.gz XLJGPETXTMXHQF-JBACZVJFSA-N 1 3 372.557 3.165 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000247438260 496858714 /nfs/dbraw/zinc/85/87/14/496858714.db2.gz XLJGPETXTMXHQF-JBACZVJFSA-N 1 3 372.557 3.165 10 0 FGAEHO O[C@H](CNC1CC(c2ccc(Br)cc2)C1)C[NH+]1CCCCC1 ZINC000193990526 497540961 /nfs/dbraw/zinc/54/09/61/497540961.db2.gz LPEAGRYZYCENBX-VMWRSERWSA-N 1 3 367.331 3.132 10 0 FGAEHO CC(C)N1CCC[C@H](C[NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000130091143 700795891 /nfs/dbraw/zinc/79/58/91/700795891.db2.gz YFPAATSQLVNNHO-MSOLQXFVSA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)N1CCC[C@H](C[NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247235378 713637920 /nfs/dbraw/zinc/63/79/20/713637920.db2.gz YFPAATSQLVNNHO-QZTJIDSGSA-N 1 3 353.551 3.344 10 0 FGAEHO CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(CCC[NH+]3CCCCC3)C[C@H]21 ZINC000249371655 713666197 /nfs/dbraw/zinc/66/61/97/713666197.db2.gz NLLUYCOMMIWIPV-RCCFBDPRSA-N 1 3 351.535 3.098 10 0 FGAEHO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000118948943 495055512 /nfs/dbraw/zinc/05/55/12/495055512.db2.gz WPILNSMGLMSLHA-HXUWFJFHSA-N 1 3 360.546 3.154 10 0 FGAEHO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](N(C)C)C2)c1 ZINC000118948943 495055516 /nfs/dbraw/zinc/05/55/16/495055516.db2.gz WPILNSMGLMSLHA-HXUWFJFHSA-N 1 3 360.546 3.154 10 0 FGAEHO CN(C)C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccccc1 ZINC000176176049 495532128 /nfs/dbraw/zinc/53/21/28/495532128.db2.gz YLTQFBQGOMQUHA-NRFANRHFSA-N 1 3 372.557 3.386 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000179515327 495623847 /nfs/dbraw/zinc/62/38/47/495623847.db2.gz CZDPGFKBGPGMSN-QGZVFWFLSA-N 1 3 371.500 3.412 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cc(Br)cs2)CC1 ZINC000172014271 496129442 /nfs/dbraw/zinc/12/94/42/496129442.db2.gz YYFLGUJRNOSOBH-LBPRGKRZSA-N 1 3 361.349 3.035 10 0 FGAEHO CCN1CCC[C@@H]1CN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000164423088 496610967 /nfs/dbraw/zinc/61/09/67/496610967.db2.gz OGRQMOKTZXPQFH-HXUWFJFHSA-N 1 3 357.542 3.231 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245476859 497424123 /nfs/dbraw/zinc/42/41/23/497424123.db2.gz TYKDTKVHDYRGQX-IAGOWNOFSA-N 1 3 364.559 3.011 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000245476859 497424125 /nfs/dbraw/zinc/42/41/25/497424125.db2.gz TYKDTKVHDYRGQX-IAGOWNOFSA-N 1 3 364.559 3.011 10 0 FGAEHO CC(C)C[C@H](CN(C)C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000078954013 494383127 /nfs/dbraw/zinc/38/31/27/494383127.db2.gz MDPFYLAUYIFSCE-HXUWFJFHSA-N 1 3 360.546 3.058 10 0 FGAEHO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180500481 496022488 /nfs/dbraw/zinc/02/24/88/496022488.db2.gz RLNHWHKURLALHD-FUHWJXTLSA-N 1 3 371.529 3.008 10 0 FGAEHO COC(=O)C1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000311494680 498751888 /nfs/dbraw/zinc/75/18/88/498751888.db2.gz CWNLFYMMUFKLEA-ZOBFTUDESA-N 1 3 356.510 3.218 10 0 FGAEHO CC(C)N1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314897 713781812 /nfs/dbraw/zinc/78/18/12/713781812.db2.gz SPBGRGFJBYSEFI-BZSNNMDCSA-N 1 3 353.551 3.342 10 0 FGAEHO O[C@@H](COc1ccccc1C[NH+]1CCCC1)CN1CCc2ccccc2C1 ZINC000015073455 220145683 /nfs/dbraw/zinc/14/56/83/220145683.db2.gz WZWRIGWMUGERSX-JOCHJYFZSA-N 1 3 366.505 3.080 10 0 FGAEHO CN(C)C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000098129829 495060777 /nfs/dbraw/zinc/06/07/77/495060777.db2.gz FJZVIFZBWFESDH-OAQYLSRUSA-N 1 3 351.494 3.315 10 0 FGAEHO CC(C)n1cc(CN(C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000179518718 495626440 /nfs/dbraw/zinc/62/64/40/495626440.db2.gz OJWIKINHOHJUHK-QFIPXVFZSA-N 1 3 370.541 3.341 10 0 FGAEHO CCO[C@H]1C[C@H]([NH2+]C2CCN(C3CCCCC3)CC2)C12CCOCC2 ZINC000186371610 495969583 /nfs/dbraw/zinc/96/95/83/495969583.db2.gz PQXQLHPWZAWYBI-PMACEKPBSA-N 1 3 350.547 3.347 10 0 FGAEHO CCO[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C12CCOCC2 ZINC000186371610 495969586 /nfs/dbraw/zinc/96/95/86/495969586.db2.gz PQXQLHPWZAWYBI-PMACEKPBSA-N 1 3 350.547 3.347 10 0 FGAEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900368 496083588 /nfs/dbraw/zinc/08/35/88/496083588.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 1 3 370.541 3.051 10 0 FGAEHO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171900368 496083595 /nfs/dbraw/zinc/08/35/95/496083595.db2.gz KXSVCINRAAMQDH-GHTZIAJQSA-N 1 3 370.541 3.051 10 0 FGAEHO C[NH+](C)C1CCN(CCNC2c3ccccc3CCc3ccccc32)CC1 ZINC000180712511 496114874 /nfs/dbraw/zinc/11/48/74/496114874.db2.gz ORTZHKHZOKNKMZ-UHFFFAOYSA-N 1 3 363.549 3.490 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247438251 496858678 /nfs/dbraw/zinc/85/86/78/496858678.db2.gz XLJGPETXTMXHQF-GIVPXCGWSA-N 1 3 372.557 3.165 10 0 FGAEHO CCN1CCC[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000247438251 496858681 /nfs/dbraw/zinc/85/86/81/496858681.db2.gz XLJGPETXTMXHQF-GIVPXCGWSA-N 1 3 372.557 3.165 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@H]3C2)cc1 ZINC000248422491 497006163 /nfs/dbraw/zinc/00/61/63/497006163.db2.gz YQHKTOFTSLPOTN-SESVDKBCSA-N 1 3 356.510 3.172 10 0 FGAEHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)C1 ZINC000237984969 497323304 /nfs/dbraw/zinc/32/33/04/497323304.db2.gz NBFBMWPVYBVHPQ-WOJBJXKFSA-N 1 3 355.526 3.161 10 0 FGAEHO CC(C)c1nn(-c2ccccc2)cc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261878783 497467745 /nfs/dbraw/zinc/46/77/45/497467745.db2.gz FBIOIRRBLGEZPW-PWRODBHTSA-N 1 3 368.525 3.242 10 0 FGAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740891 /nfs/dbraw/zinc/74/08/91/497740891.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000246457356 497740895 /nfs/dbraw/zinc/74/08/95/497740895.db2.gz JHEADHOOEFPXQP-HLAWJBBLSA-N 1 3 372.557 3.165 10 0 FGAEHO C[C@H]1CCCCN1CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247195443 713636794 /nfs/dbraw/zinc/63/67/94/713636794.db2.gz UGTLTOSIBPLYBN-ZWKOTPCHSA-N 1 3 353.551 3.488 10 0 FGAEHO CC[C@H]([NH2+]C[C@H]1CCN(CC)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000249033574 713662537 /nfs/dbraw/zinc/66/25/37/713662537.db2.gz MCRIBBQTJBSECV-FGTMMUONSA-N 1 3 353.551 3.486 10 0 FGAEHO C[NH+](C)Cc1cc(O[C@@H]2CCN(Cc3cnc(C4CC4)s3)C2)ccn1 ZINC000886046194 739211615 /nfs/dbraw/zinc/21/16/15/739211615.db2.gz WACWMHIZTMKKOR-QGZVFWFLSA-N 1 3 358.511 3.130 10 0 FGAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000121142286 494614956 /nfs/dbraw/zinc/61/49/56/494614956.db2.gz RMELTHZKBMRPFM-AWEZNQCLSA-N 1 3 360.420 3.110 10 0 FGAEHO [NH3+]C[C@@H]1CN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1c1ccccc1 ZINC000261730869 497440382 /nfs/dbraw/zinc/44/03/82/497440382.db2.gz OJRWYNMYKKRINX-PUHATCMVSA-N 1 3 366.505 3.419 10 0 FGAEHO CC(C)N1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000301314898 713781841 /nfs/dbraw/zinc/78/18/41/713781841.db2.gz SPBGRGFJBYSEFI-KSZLIROESA-N 1 3 353.551 3.342 10 0 FGAEHO O[C@H](COc1ccccc1C[NH+]1CCCC1)CN1CCc2ccccc2C1 ZINC000015073456 220145601 /nfs/dbraw/zinc/14/56/01/220145601.db2.gz WZWRIGWMUGERSX-QFIPXVFZSA-N 1 3 366.505 3.080 10 0 FGAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(-c3ccccc3)s2)CC1 ZINC000170941933 495661049 /nfs/dbraw/zinc/66/10/49/495661049.db2.gz PDTBSIMRNJCENY-MRXNPFEDSA-N 1 3 359.539 3.335 10 0 FGAEHO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180500541 496022733 /nfs/dbraw/zinc/02/27/33/496022733.db2.gz RLNHWHKURLALHD-AEFFLSMTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OCCN(C)C)c1)CC2 ZINC000180644151 496084129 /nfs/dbraw/zinc/08/41/29/496084129.db2.gz PAVJGOKADNWLHB-AEFFLSMTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC(C)c1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(OCC[NH+](C)C)c1)CC2 ZINC000180644151 496084133 /nfs/dbraw/zinc/08/41/33/496084133.db2.gz PAVJGOKADNWLHB-AEFFLSMTSA-N 1 3 371.529 3.008 10 0 FGAEHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000177866094 496230523 /nfs/dbraw/zinc/23/05/23/496230523.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 1 3 372.557 3.024 10 0 FGAEHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000177866094 496230526 /nfs/dbraw/zinc/23/05/26/496230526.db2.gz DUHIZKMYOWPACI-SFTDATJTSA-N 1 3 372.557 3.024 10 0 FGAEHO c1ccc(CN2C[C@@H]3CC[C@@H]([NH2+]C4CCC5(CC4)OCCO5)[C@@H]3C2)cc1 ZINC000248422489 497006425 /nfs/dbraw/zinc/00/64/25/497006425.db2.gz YQHKTOFTSLPOTN-CEWLAPEOSA-N 1 3 356.510 3.172 10 0 FGAEHO CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000262384952 497548056 /nfs/dbraw/zinc/54/80/56/497548056.db2.gz NKIAVBKPKRBDDE-NVXWUHKLSA-N 1 3 371.447 3.113 10 0 FGAEHO O[C@H](C[NH2+]C[C@H]1CCCCN(Cc2ccccc2)C1)COCc1ccco1 ZINC000312905544 498764507 /nfs/dbraw/zinc/76/45/07/498764507.db2.gz JYSDHSMORICZEZ-NHCUHLMSSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@H](CNC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905544 498764511 /nfs/dbraw/zinc/76/45/11/498764511.db2.gz JYSDHSMORICZEZ-NHCUHLMSSA-N 1 3 372.509 3.049 10 0 FGAEHO O[C@H](CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COCc1ccco1 ZINC000312905544 498764517 /nfs/dbraw/zinc/76/45/17/498764517.db2.gz JYSDHSMORICZEZ-NHCUHLMSSA-N 1 3 372.509 3.049 10 0 FGAEHO