smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCCCn1cc[nH+]c1 ZINC000408596187 557514137 /nfs/dbraw/zinc/51/41/37/557514137.db2.gz RMQCQMKKAGNPSC-UHFFFAOYSA-N 1 2 418.563 2.633 40 0 HFABLO CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004862048 557607773 /nfs/dbraw/zinc/60/77/73/557607773.db2.gz HFEHSCUQGOCHRE-SFHVURJKSA-N 1 2 400.527 2.504 40 0 HFABLO CN(CCc1ccccn1)C(=O)[C@@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000019745258 558266100 /nfs/dbraw/zinc/26/61/00/558266100.db2.gz IYHKGPZIOQSHDP-QFIPXVFZSA-N 1 2 410.493 2.614 40 0 HFABLO CN(CCc1ccccn1)C(=O)[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000019745258 558266101 /nfs/dbraw/zinc/26/61/01/558266101.db2.gz IYHKGPZIOQSHDP-QFIPXVFZSA-N 1 2 410.493 2.614 40 0 HFABLO Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2cc(N3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758893 558275382 /nfs/dbraw/zinc/27/53/82/558275382.db2.gz KHBGKOOVRRMERR-UHFFFAOYSA-N 1 2 419.551 2.633 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)c(OC)c1 ZINC000019759581 558275923 /nfs/dbraw/zinc/27/59/23/558275923.db2.gz ZZANHMFTHLLSBU-QFIPXVFZSA-N 1 2 407.470 2.924 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@H](c3cc(C(N)=O)c4ccccc4n3)C2)c(OC)c1 ZINC000019759581 558275924 /nfs/dbraw/zinc/27/59/24/558275924.db2.gz ZZANHMFTHLLSBU-QFIPXVFZSA-N 1 2 407.470 2.924 40 0 HFABLO CCc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)n1 ZINC000012113700 558327055 /nfs/dbraw/zinc/32/70/55/558327055.db2.gz VDVCVFJASFLNLD-UHFFFAOYSA-N 1 2 423.439 2.866 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)CC1 ZINC000037093232 558507190 /nfs/dbraw/zinc/50/71/90/558507190.db2.gz MIYYMNZTOLPFFF-UHFFFAOYSA-N 1 2 409.458 2.543 40 0 HFABLO O=C([C@@H]1CC(c2c(F)cccc2Cl)=NO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000036615445 558729228 /nfs/dbraw/zinc/72/92/28/558729228.db2.gz PPVPSMUVURUGCE-SFHVURJKSA-N 1 2 402.857 2.712 40 0 HFABLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000038852691 558819078 /nfs/dbraw/zinc/81/90/78/558819078.db2.gz WWGHONXMEHNVFK-UHFFFAOYSA-N 1 2 404.470 2.618 40 0 HFABLO Cc1csc2ncc(C(=O)N3CCN(c4cc(C)c5ccccc5[nH+]4)CC3)c(=O)n12 ZINC000019118992 558842734 /nfs/dbraw/zinc/84/27/34/558842734.db2.gz ZRYCMZUYHAWONY-UHFFFAOYSA-N 1 2 419.510 2.883 40 0 HFABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)cc2N1 ZINC000019520569 558901483 /nfs/dbraw/zinc/90/14/83/558901483.db2.gz XLZLPVWHZUOIJB-RHSMWYFYSA-N 1 2 422.455 2.934 40 0 HFABLO CCOc1ccc(CC(=O)N2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1 ZINC000019533012 558913060 /nfs/dbraw/zinc/91/30/60/558913060.db2.gz PKVMASDWVWTZNB-UHFFFAOYSA-N 1 2 419.529 2.768 40 0 HFABLO COc1ccc([C@@H](CN(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019585953 558939282 /nfs/dbraw/zinc/93/92/82/558939282.db2.gz NHBSUVQOTUKBCW-RBBKRZOGSA-N 1 2 423.513 2.653 40 0 HFABLO Cc1nc(N)c2c(n1)nc([C@@H]1CCCN(C(=O)Cn3cc[nH+]c3)C1)cc2C(F)(F)F ZINC000072350863 558947669 /nfs/dbraw/zinc/94/76/69/558947669.db2.gz MVIYKNJXEGVDQH-GFCCVEGCSA-N 1 2 419.411 2.537 40 0 HFABLO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358606 558954312 /nfs/dbraw/zinc/95/43/12/558954312.db2.gz OTSFCFDKSGRNEP-INIZCTEOSA-N 1 2 422.514 2.517 40 0 HFABLO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358606 558954313 /nfs/dbraw/zinc/95/43/13/558954313.db2.gz OTSFCFDKSGRNEP-INIZCTEOSA-N 1 2 422.514 2.517 40 0 HFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710349 558972286 /nfs/dbraw/zinc/97/22/86/558972286.db2.gz NNNIOJQXVXYJBS-FQEVSTJZSA-N 1 2 411.525 2.966 40 0 HFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710349 558972288 /nfs/dbraw/zinc/97/22/88/558972288.db2.gz NNNIOJQXVXYJBS-FQEVSTJZSA-N 1 2 411.525 2.966 40 0 HFABLO CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)CC2)nc2c1C[N@H+](C)CC2 ZINC000019711403 558973803 /nfs/dbraw/zinc/97/38/03/558973803.db2.gz HNMGSMXOQCGKKR-UHFFFAOYSA-N 1 2 423.561 2.990 40 0 HFABLO CNc1nc(C2CCN(C(=O)CCOc3ccccc3C)CC2)nc2c1C[N@@H+](C)CC2 ZINC000019711403 558973807 /nfs/dbraw/zinc/97/38/07/558973807.db2.gz HNMGSMXOQCGKKR-UHFFFAOYSA-N 1 2 423.561 2.990 40 0 HFABLO Cc1cc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)c(C)o1 ZINC000096083048 559095009 /nfs/dbraw/zinc/09/50/09/559095009.db2.gz KHVGTVUDEAZNFS-MBSDFSHPSA-N 1 2 410.518 2.738 40 0 HFABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251970 559105636 /nfs/dbraw/zinc/10/56/36/559105636.db2.gz OOBFEKSVFARBSH-FFZOFVMBSA-N 1 2 412.559 2.609 40 0 HFABLO C[C@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251970 559105637 /nfs/dbraw/zinc/10/56/37/559105637.db2.gz OOBFEKSVFARBSH-FFZOFVMBSA-N 1 2 412.559 2.609 40 0 HFABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464098 560092763 /nfs/dbraw/zinc/09/27/63/560092763.db2.gz ZNSIUCQCPUEZIT-JSGCOSHPSA-N 1 2 414.384 2.533 40 0 biogenic,in-vitro HFABLO COCCC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464098 560092764 /nfs/dbraw/zinc/09/27/64/560092764.db2.gz ZNSIUCQCPUEZIT-JSGCOSHPSA-N 1 2 414.384 2.533 40 0 biogenic,in-vitro HFABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000893003 560543118 /nfs/dbraw/zinc/54/31/18/560543118.db2.gz RTWHAFXGIAXIEB-NRFANRHFSA-N 1 2 416.485 2.757 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004212318 560603743 /nfs/dbraw/zinc/60/37/43/560603743.db2.gz VCTJGHKEEQVILP-VBKZILBWSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004212318 560603744 /nfs/dbraw/zinc/60/37/44/560603744.db2.gz VCTJGHKEEQVILP-VBKZILBWSA-N 1 2 410.522 2.599 40 0 HFABLO COc1cccc(OC)c1/C=C/C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000409223342 560698925 /nfs/dbraw/zinc/69/89/25/560698925.db2.gz FIAYOBQXYASVTN-VQHVLOKHSA-N 1 2 410.470 2.790 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000100427887 560724594 /nfs/dbraw/zinc/72/45/94/560724594.db2.gz TXXMQEGAHWSIIN-VDVULAQNSA-N 1 2 412.511 2.558 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012833873 560788627 /nfs/dbraw/zinc/78/86/27/560788627.db2.gz VCTJGHKEEQVILP-JLTOFOAXSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012833873 560788631 /nfs/dbraw/zinc/78/86/31/560788631.db2.gz VCTJGHKEEQVILP-JLTOFOAXSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012833906 560788744 /nfs/dbraw/zinc/78/87/44/560788744.db2.gz CRTZILDQCPWYLJ-VLIAUNLRSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012833906 560788746 /nfs/dbraw/zinc/78/87/46/560788746.db2.gz CRTZILDQCPWYLJ-VLIAUNLRSA-N 1 2 410.522 2.599 40 0 HFABLO Cn1c2cc3c(cc2cc(CNc2ccc([NH+]4CCC(O)CC4)cc2)c1=O)OCCO3 ZINC000013564197 560816506 /nfs/dbraw/zinc/81/65/06/560816506.db2.gz SDAATFFDYQBSBN-UHFFFAOYSA-N 1 2 421.497 2.883 40 0 HFABLO COCCn1nnnc1[C@@H](CC(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670068 568494503 /nfs/dbraw/zinc/49/45/03/568494503.db2.gz UESDJGGGDJJASK-QGZVFWFLSA-N 1 2 415.567 2.839 40 0 HFABLO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000223413168 568547976 /nfs/dbraw/zinc/54/79/76/568547976.db2.gz KTMDIKFVEUGEAU-UHFFFAOYSA-N 1 2 417.531 2.724 40 0 HFABLO Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000224148464 568571623 /nfs/dbraw/zinc/57/16/23/568571623.db2.gz OOGASGFPLOIRCQ-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000224177067 568572574 /nfs/dbraw/zinc/57/25/74/568572574.db2.gz JGRYCXDKTJLXKP-UHFFFAOYSA-N 1 2 416.478 2.667 40 0 HFABLO CC[N@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 ZINC000225091842 568613707 /nfs/dbraw/zinc/61/37/07/568613707.db2.gz PEBVYQYIGYUVJK-UHFFFAOYSA-N 1 2 415.515 2.535 40 0 HFABLO CC[N@@H+](CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1 ZINC000225091842 568613711 /nfs/dbraw/zinc/61/37/11/568613711.db2.gz PEBVYQYIGYUVJK-UHFFFAOYSA-N 1 2 415.515 2.535 40 0 HFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095534228 568635276 /nfs/dbraw/zinc/63/52/76/568635276.db2.gz CLQHPWIWAAAZGP-SFHVURJKSA-N 1 2 414.462 2.953 40 0 HFABLO Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)cc[nH+]1 ZINC000257214827 568780455 /nfs/dbraw/zinc/78/04/55/568780455.db2.gz CNOIEFSPGXCFEP-IBGZPJMESA-N 1 2 407.449 2.793 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000257259333 568792713 /nfs/dbraw/zinc/79/27/13/568792713.db2.gz KXVSEECCUJKPEO-QGZVFWFLSA-N 1 2 409.534 2.600 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000257259333 568792714 /nfs/dbraw/zinc/79/27/14/568792714.db2.gz KXVSEECCUJKPEO-QGZVFWFLSA-N 1 2 409.534 2.600 40 0 HFABLO COc1ccc([C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CCN2C(C)=O)cc1 ZINC000257330473 568813176 /nfs/dbraw/zinc/81/31/76/568813176.db2.gz XOOWFVXSGALSET-QHCPKHFHSA-N 1 2 418.497 2.986 40 0 HFABLO COc1cccc(C[N@@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123435 568886620 /nfs/dbraw/zinc/88/66/20/568886620.db2.gz ANABOCNNZPOZIQ-LAUBAEHRSA-N 1 2 416.547 2.799 40 0 HFABLO COc1cccc(C[N@H+]2CCO[C@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123435 568886622 /nfs/dbraw/zinc/88/66/22/568886622.db2.gz ANABOCNNZPOZIQ-LAUBAEHRSA-N 1 2 416.547 2.799 40 0 HFABLO COc1cccc(C[N@@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123436 568886666 /nfs/dbraw/zinc/88/66/66/568886666.db2.gz ANABOCNNZPOZIQ-UTKZUKDTSA-N 1 2 416.547 2.799 40 0 HFABLO COc1cccc(C[N@H+]2CCO[C@@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123436 568886667 /nfs/dbraw/zinc/88/66/67/568886667.db2.gz ANABOCNNZPOZIQ-UTKZUKDTSA-N 1 2 416.547 2.799 40 0 HFABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306139244 568901198 /nfs/dbraw/zinc/90/11/98/568901198.db2.gz STEQVMOMFXDLFT-UHFFFAOYSA-N 1 2 420.565 2.850 40 0 HFABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306139244 568901200 /nfs/dbraw/zinc/90/12/00/568901200.db2.gz STEQVMOMFXDLFT-UHFFFAOYSA-N 1 2 420.565 2.850 40 0 HFABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CCN(c2ncccn2)CC1 ZINC000306139244 568901203 /nfs/dbraw/zinc/90/12/03/568901203.db2.gz STEQVMOMFXDLFT-UHFFFAOYSA-N 1 2 420.565 2.850 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccncc3)C[C@H]1S2(=O)=O ZINC000306142159 568903753 /nfs/dbraw/zinc/90/37/53/568903753.db2.gz WRQCDFZSJRLFIT-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1S2(=O)=O ZINC000306142159 568903754 /nfs/dbraw/zinc/90/37/54/568903754.db2.gz WRQCDFZSJRLFIT-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1C[N@@H+]1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306143689 568905107 /nfs/dbraw/zinc/90/51/07/568905107.db2.gz YJEHOJSRQHDGSM-FQEVSTJZSA-N 1 2 406.534 2.827 40 0 HFABLO COc1ncccc1C[N@H+]1CCN(C)[C@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306143689 568905109 /nfs/dbraw/zinc/90/51/09/568905109.db2.gz YJEHOJSRQHDGSM-FQEVSTJZSA-N 1 2 406.534 2.827 40 0 HFABLO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000049031213 569048246 /nfs/dbraw/zinc/04/82/46/569048246.db2.gz LCOLSEMYHNKGAR-SFHVURJKSA-N 1 2 400.479 2.769 40 0 HFABLO COCCN1CC=CC[C@]2(C[N@H+](Cc3nc4ccccc4n3C(C)C)CCO2)C1=O ZINC000019704478 569347638 /nfs/dbraw/zinc/34/76/38/569347638.db2.gz ZKLOACYTEYAZHG-QHCPKHFHSA-N 1 2 412.534 2.623 40 0 HFABLO COCCN1CC=CC[C@]2(C[N@@H+](Cc3nc4ccccc4n3C(C)C)CCO2)C1=O ZINC000019704478 569347639 /nfs/dbraw/zinc/34/76/39/569347639.db2.gz ZKLOACYTEYAZHG-QHCPKHFHSA-N 1 2 412.534 2.623 40 0 HFABLO CCn1c2ccc(C[N@@H+]3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)cc2n(CC)c1=O ZINC000019764672 569348955 /nfs/dbraw/zinc/34/89/55/569348955.db2.gz FFNYDQTWYNBLQB-IBGZPJMESA-N 1 2 422.533 2.767 40 0 HFABLO CCn1c2ccc(C[N@H+]3CCCC[C@H]3c3ncc(C(N)=O)c(C)n3)cc2n(CC)c1=O ZINC000019764672 569348956 /nfs/dbraw/zinc/34/89/56/569348956.db2.gz FFNYDQTWYNBLQB-IBGZPJMESA-N 1 2 422.533 2.767 40 0 HFABLO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979070 569375500 /nfs/dbraw/zinc/37/55/00/569375500.db2.gz GILMSJQKSVCVIP-NRFANRHFSA-N 1 2 423.469 2.685 40 0 HFABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c1 ZINC000329003354 571306892 /nfs/dbraw/zinc/30/68/92/571306892.db2.gz KLLYZBVJBLYLNI-QGZVFWFLSA-N 1 2 400.479 3.322 40 0 HFABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH]c[nH+]c3CN2C(=O)NC2CCCCC2)cc1 ZINC000012530157 291225168 /nfs/dbraw/zinc/22/51/68/291225168.db2.gz RTCCMJPKOGXOOR-FQEVSTJZSA-N 1 2 411.506 2.504 40 0 biogenic,in-vitro HFABLO COc1ccc(CNC(=O)[C@@H]2Cc3[nH+]c[nH]c3CN2C(=O)NC2CCCCC2)cc1 ZINC000012530157 291225170 /nfs/dbraw/zinc/22/51/70/291225170.db2.gz RTCCMJPKOGXOOR-FQEVSTJZSA-N 1 2 411.506 2.504 40 0 biogenic,in-vitro HFABLO CC[C@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857017 522530676 /nfs/dbraw/zinc/53/06/76/522530676.db2.gz BINUEPBQNWUZMO-NRFANRHFSA-N 1 2 416.543 2.803 40 0 HFABLO CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)sc2c1CC[N@H+](C)C2 ZINC000001448535 557267214 /nfs/dbraw/zinc/26/72/14/557267214.db2.gz GVPPHQTUQMYIPX-LEWJYISDSA-N 1 2 420.531 2.973 40 0 HFABLO CCOC(=O)c1c(NC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)sc2c1CC[N@@H+](C)C2 ZINC000001448535 557267217 /nfs/dbraw/zinc/26/72/17/557267217.db2.gz GVPPHQTUQMYIPX-LEWJYISDSA-N 1 2 420.531 2.973 40 0 HFABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000408554241 557443157 /nfs/dbraw/zinc/44/31/57/557443157.db2.gz CNAARLVKXVSBSA-LJQANCHMSA-N 1 2 407.430 2.581 40 0 HFABLO CCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1C ZINC000408616894 557543715 /nfs/dbraw/zinc/54/37/15/557543715.db2.gz BLCAHBUTLNHKJN-UHFFFAOYSA-N 1 2 415.559 2.641 40 0 HFABLO COc1ccccc1N1CC[NH+]([C@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000035310984 557693091 /nfs/dbraw/zinc/69/30/91/557693091.db2.gz JUIARPUHTXRZLA-AZUAARDMSA-N 1 2 414.554 2.770 40 0 HFABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1C ZINC000020491263 558377956 /nfs/dbraw/zinc/37/79/56/558377956.db2.gz LGJGCNLSIPMHTF-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO COc1cccc(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1 ZINC000014327988 558652832 /nfs/dbraw/zinc/65/28/32/558652832.db2.gz QULUXHOUFGAUHU-UHFFFAOYSA-N 1 2 410.470 3.000 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)[C@H](c2ccccc2)C1 ZINC000036734501 558801178 /nfs/dbraw/zinc/80/11/78/558801178.db2.gz UURLQFWYXQMXMS-UNMCSNQZSA-N 1 2 419.525 2.950 40 0 HFABLO C[N@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)[C@H](c2ccccc2)C1 ZINC000036734501 558801180 /nfs/dbraw/zinc/80/11/80/558801180.db2.gz UURLQFWYXQMXMS-UNMCSNQZSA-N 1 2 419.525 2.950 40 0 HFABLO Cc1cc(C)c2c(n1)nc(SCC(=O)NCc1ccccc1-n1cc[nH+]c1)[nH]c2=O ZINC000019118873 558842592 /nfs/dbraw/zinc/84/25/92/558842592.db2.gz NFIQWJYLCKYUBM-UHFFFAOYSA-N 1 2 420.498 2.941 40 0 HFABLO COc1cc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc(OC)c1OC ZINC000019240296 558858883 /nfs/dbraw/zinc/85/88/83/558858883.db2.gz OLFXHTLVBFPZPY-UHFFFAOYSA-N 1 2 415.515 2.851 40 0 HFABLO COc1cc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)cc(OC)c1OC ZINC000019240296 558858885 /nfs/dbraw/zinc/85/88/85/558858885.db2.gz OLFXHTLVBFPZPY-UHFFFAOYSA-N 1 2 415.515 2.851 40 0 HFABLO COc1cccc([C@@H](NC(=O)c2cnc(N3CCCCC3)nc2)c2[nH+]ccn2C)c1 ZINC000019291252 558863602 /nfs/dbraw/zinc/86/36/02/558863602.db2.gz DVXDZGKKOLQVPZ-LJQANCHMSA-N 1 2 406.490 2.728 40 0 HFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448155 558886910 /nfs/dbraw/zinc/88/69/10/558886910.db2.gz JSLYUYRLROWBOE-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5cccnc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448155 558886912 /nfs/dbraw/zinc/88/69/12/558886912.db2.gz JSLYUYRLROWBOE-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO CCn1nccc1C[N@H+](C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019524176 558905505 /nfs/dbraw/zinc/90/55/05/558905505.db2.gz PQPDJARSBKCKMF-UHFFFAOYSA-N 1 2 422.455 2.943 40 0 HFABLO CCn1nccc1C[N@@H+](C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019524176 558905509 /nfs/dbraw/zinc/90/55/09/558905509.db2.gz PQPDJARSBKCKMF-UHFFFAOYSA-N 1 2 422.455 2.943 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccc(F)cc1F)CC3 ZINC000019550839 558915324 /nfs/dbraw/zinc/91/53/24/558915324.db2.gz JAYRDTKVNIAFGP-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccc(F)cc1F)CC3 ZINC000019550839 558915326 /nfs/dbraw/zinc/91/53/26/558915326.db2.gz JAYRDTKVNIAFGP-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1c(F)cccc1F)CC3 ZINC000019550825 558915331 /nfs/dbraw/zinc/91/53/31/558915331.db2.gz SQAPJCNDSUNGPF-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1c(F)cccc1F)CC3 ZINC000019550825 558915333 /nfs/dbraw/zinc/91/53/33/558915333.db2.gz SQAPJCNDSUNGPF-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO O=C(CSc1nnc(CC[NH+]2CCOCC2)o1)Nc1cccc(Cl)c1Cl ZINC000022420792 558991364 /nfs/dbraw/zinc/99/13/64/558991364.db2.gz ZVVXMQRHBPWAOY-UHFFFAOYSA-N 1 2 417.318 2.982 40 0 HFABLO Cc1noc(C)c1C(=O)N1C[C@@]2(C[C@@H]1c1cn(C)c[nH+]1)CCCN(CC1CC1)C2=O ZINC000585106463 559028754 /nfs/dbraw/zinc/02/87/54/559028754.db2.gz OAUOKMPNUZDLMR-GCJKJVERSA-N 1 2 411.506 2.631 40 0 HFABLO Cc1cnc(CNC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096147216 559098238 /nfs/dbraw/zinc/09/82/38/559098238.db2.gz SHYGSRUOBXNHNM-QFIPXVFZSA-N 1 2 404.518 2.978 40 0 HFABLO CCC(CC)NC(=O)c1ccc2nnc([C@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC000096156675 559100571 /nfs/dbraw/zinc/10/05/71/559100571.db2.gz UIKXLWFAVAPNCF-HXUWFJFHSA-N 1 2 421.549 2.531 40 0 HFABLO CCC(CC)NC(=O)c1ccc2nnc([C@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC000096156675 559100573 /nfs/dbraw/zinc/10/05/73/559100573.db2.gz UIKXLWFAVAPNCF-HXUWFJFHSA-N 1 2 421.549 2.531 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCCc1ccncc1)N(Cc1cccnc1)CC2 ZINC000096265056 559107671 /nfs/dbraw/zinc/10/76/71/559107671.db2.gz JZQVMGCTSBTIPW-QFIPXVFZSA-N 1 2 404.518 2.712 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004212315 560603748 /nfs/dbraw/zinc/60/37/48/560603748.db2.gz VCTJGHKEEQVILP-XOBRGWDASA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004212315 560603749 /nfs/dbraw/zinc/60/37/49/560603749.db2.gz VCTJGHKEEQVILP-XOBRGWDASA-N 1 2 410.522 2.599 40 0 HFABLO CC[NH+](CC)CCCNC(=O)[C@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004435574 560606849 /nfs/dbraw/zinc/60/68/49/560606849.db2.gz FNDOYLQRKSIGAV-IBGZPJMESA-N 1 2 421.900 2.913 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848160 560609808 /nfs/dbraw/zinc/60/98/08/560609808.db2.gz WBMJYPTUHKCMCS-LJQANCHMSA-N 1 2 412.538 2.770 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848160 560609810 /nfs/dbraw/zinc/60/98/10/560609810.db2.gz WBMJYPTUHKCMCS-LJQANCHMSA-N 1 2 412.538 2.770 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1CNc1ccc([NH+]2CCC(O)CC2)cc1)OCCO3 ZINC000013563041 560816164 /nfs/dbraw/zinc/81/61/64/560816164.db2.gz UPFFBWGHVBPFJT-UHFFFAOYSA-N 1 2 407.470 2.873 40 0 HFABLO COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3N2)c1 ZINC000019589800 560874377 /nfs/dbraw/zinc/87/43/77/560874377.db2.gz ZEQDEYDJGZPGBA-DLBZAZTESA-N 1 2 423.439 2.940 40 0 HFABLO O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(NCCC[NH+]3CCOCC3)ncc21 ZINC000020555739 568455786 /nfs/dbraw/zinc/45/57/86/568455786.db2.gz VGTGGROADDTJJS-HNNXBMFYSA-N 1 2 402.445 2.802 40 0 HFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589795 568492904 /nfs/dbraw/zinc/49/29/04/568492904.db2.gz DVEVCSWYLIBTEE-FQEVSTJZSA-N 1 2 424.549 2.823 40 0 HFABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589810 568492979 /nfs/dbraw/zinc/49/29/79/568492979.db2.gz KBZHOVJWNGTWJS-OAQYLSRUSA-N 1 2 422.533 2.793 40 0 HFABLO O=C(COc1cccc2cccnc21)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000223136256 568539037 /nfs/dbraw/zinc/53/90/37/568539037.db2.gz ANBGUPHACQBERP-UHFFFAOYSA-N 1 2 405.454 2.687 40 0 HFABLO Cc1ccc(NC(=O)CCc2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000223690251 568556354 /nfs/dbraw/zinc/55/63/54/568556354.db2.gz LCIJOKAPJWHRQV-UHFFFAOYSA-N 1 2 419.522 2.642 40 0 HFABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095533802 568635379 /nfs/dbraw/zinc/63/53/79/568635379.db2.gz XXYLYMHUTXVNIB-KRWDZBQOSA-N 1 2 400.435 2.563 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1 ZINC000257213497 568780062 /nfs/dbraw/zinc/78/00/62/568780062.db2.gz CHUYULGIIXZKGT-QFIPXVFZSA-N 1 2 405.502 2.946 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1 ZINC000257213497 568780063 /nfs/dbraw/zinc/78/00/63/568780063.db2.gz CHUYULGIIXZKGT-QFIPXVFZSA-N 1 2 405.502 2.946 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@H](OC)C3)sc2c1 ZINC000257219060 568781646 /nfs/dbraw/zinc/78/16/46/568781646.db2.gz DFLQBHLAQOMUQR-YLJYHZDGSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@H](OC)C3)sc2c1 ZINC000257219060 568781647 /nfs/dbraw/zinc/78/16/47/568781647.db2.gz DFLQBHLAQOMUQR-YLJYHZDGSA-N 1 2 405.520 2.903 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cnn1C ZINC000257239249 568787333 /nfs/dbraw/zinc/78/73/33/568787333.db2.gz HOONKPRBUMJXDF-NRFANRHFSA-N 1 2 417.460 2.925 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cnn1C ZINC000257239249 568787335 /nfs/dbraw/zinc/78/73/35/568787335.db2.gz HOONKPRBUMJXDF-NRFANRHFSA-N 1 2 417.460 2.925 40 0 HFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250018 568790333 /nfs/dbraw/zinc/79/03/33/568790333.db2.gz JKRFBEOBSKKKLW-QFIPXVFZSA-N 1 2 413.497 2.796 40 0 HFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250018 568790336 /nfs/dbraw/zinc/79/03/36/568790336.db2.gz JKRFBEOBSKKKLW-QFIPXVFZSA-N 1 2 413.497 2.796 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1C[N@H+](C)CC2 ZINC000257259332 568792717 /nfs/dbraw/zinc/79/27/17/568792717.db2.gz KXVSEECCUJKPEO-KRWDZBQOSA-N 1 2 409.534 2.600 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)CCOc3ccccc3C)C2)nc2c1C[N@@H+](C)CC2 ZINC000257259332 568792718 /nfs/dbraw/zinc/79/27/18/568792718.db2.gz KXVSEECCUJKPEO-KRWDZBQOSA-N 1 2 409.534 2.600 40 0 HFABLO O=C(C[N@@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267234 568794768 /nfs/dbraw/zinc/79/47/68/568794768.db2.gz MGMCGYARNNLIHD-SFHVURJKSA-N 1 2 419.481 2.909 40 0 HFABLO O=C(C[N@H+]1CCOC[C@@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267234 568794769 /nfs/dbraw/zinc/79/47/69/568794769.db2.gz MGMCGYARNNLIHD-SFHVURJKSA-N 1 2 419.481 2.909 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000257328665 568812574 /nfs/dbraw/zinc/81/25/74/568812574.db2.gz XGQDXKPYFNBTPG-SFHVURJKSA-N 1 2 409.534 2.729 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000257328665 568812575 /nfs/dbraw/zinc/81/25/75/568812575.db2.gz XGQDXKPYFNBTPG-SFHVURJKSA-N 1 2 409.534 2.729 40 0 HFABLO COc1cccc(C[N@@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126409 568889415 /nfs/dbraw/zinc/88/94/15/568889415.db2.gz DUVSHWUDYLWTHN-IFMALSPDSA-N 1 2 409.511 2.851 40 0 HFABLO COc1cccc(C[N@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126409 568889416 /nfs/dbraw/zinc/88/94/16/568889416.db2.gz DUVSHWUDYLWTHN-IFMALSPDSA-N 1 2 409.511 2.851 40 0 HFABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306143554 568904985 /nfs/dbraw/zinc/90/49/85/568904985.db2.gz YFMISYXXNUFSAT-UHFFFAOYSA-N 1 2 405.502 2.852 40 0 HFABLO Cc1ccccc1CC(=O)N1CCC2(CC1)C[N@@H+](C)Cc1nnc(-c3ccco3)n12 ZINC000306143554 568904986 /nfs/dbraw/zinc/90/49/86/568904986.db2.gz YFMISYXXNUFSAT-UHFFFAOYSA-N 1 2 405.502 2.852 40 0 HFABLO OCCNc1nc(NCCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328970351 568970417 /nfs/dbraw/zinc/97/04/17/568970417.db2.gz DJPXIBKOHFLKQD-UHFFFAOYSA-N 1 2 418.419 2.945 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000328971657 568970577 /nfs/dbraw/zinc/97/05/77/568970577.db2.gz DRNDYBGCGTUTKH-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000253591487 569318227 /nfs/dbraw/zinc/31/82/27/569318227.db2.gz NXFGXNINQRZKCK-VPWXQRGCSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000253591487 569318228 /nfs/dbraw/zinc/31/82/28/569318228.db2.gz NXFGXNINQRZKCK-VPWXQRGCSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3cnn(C)c3C)CCO2)cc1 ZINC000019692802 569346153 /nfs/dbraw/zinc/34/61/53/569346153.db2.gz GVDRTTDMPMNDEB-NRFANRHFSA-N 1 2 422.533 2.834 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3cnn(C)c3C)CCO2)cc1 ZINC000019692802 569346154 /nfs/dbraw/zinc/34/61/54/569346154.db2.gz GVDRTTDMPMNDEB-NRFANRHFSA-N 1 2 422.533 2.834 40 0 HFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3ncncc3-c3noc(C)n3)C1)CCC2 ZINC000019693778 569346584 /nfs/dbraw/zinc/34/65/84/569346584.db2.gz IQILZGXFPOXIMY-HXUWFJFHSA-N 1 2 407.474 2.906 40 0 HFABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3ncncc3-c3noc(C)n3)C1)CCC2 ZINC000019693778 569346585 /nfs/dbraw/zinc/34/65/85/569346585.db2.gz IQILZGXFPOXIMY-HXUWFJFHSA-N 1 2 407.474 2.906 40 0 HFABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000019700928 569347260 /nfs/dbraw/zinc/34/72/60/569347260.db2.gz PKHZAVIRMFJHJP-FQEVSTJZSA-N 1 2 421.545 2.813 40 0 HFABLO CNc1cc([C@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000019700928 569347261 /nfs/dbraw/zinc/34/72/61/569347261.db2.gz PKHZAVIRMFJHJP-FQEVSTJZSA-N 1 2 421.545 2.813 40 0 HFABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674063 291230333 /nfs/dbraw/zinc/23/03/33/291230333.db2.gz UZCFPCWGYDSQFW-XLIONFOSSA-N 1 2 400.442 2.897 40 0 biogenic,in-vitro HFABLO O[C@@H]1C[C@@H](c2nc(-c3cnccn3)no2)[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000015674063 291230335 /nfs/dbraw/zinc/23/03/35/291230335.db2.gz UZCFPCWGYDSQFW-XLIONFOSSA-N 1 2 400.442 2.897 40 0 biogenic,in-vitro HFABLO Cn1cccc1C[NH+]1CCC(c2nc(-c3ccncc3)ncc2S(C)(=O)=O)CC1 ZINC000072335866 527392476 /nfs/dbraw/zinc/39/24/76/527392476.db2.gz JEEXLXXBVLMGFH-UHFFFAOYSA-N 1 2 411.531 2.660 40 0 HFABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1 ZINC000019752578 558271920 /nfs/dbraw/zinc/27/19/20/558271920.db2.gz XORLRLGYYMHLEA-KRWDZBQOSA-N 1 2 409.534 2.994 40 0 HFABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1 ZINC000019752578 558271923 /nfs/dbraw/zinc/27/19/23/558271923.db2.gz XORLRLGYYMHLEA-KRWDZBQOSA-N 1 2 409.534 2.994 40 0 HFABLO COc1ccccc1-c1cc(C(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)n[nH]1 ZINC000019758372 558275028 /nfs/dbraw/zinc/27/50/28/558275028.db2.gz RAUZWTDVPZLURC-UHFFFAOYSA-N 1 2 406.490 2.861 40 0 HFABLO O=C(c1cc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759338 558275926 /nfs/dbraw/zinc/27/59/26/558275926.db2.gz HBLAPNKPYWQZED-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759338 558275927 /nfs/dbraw/zinc/27/59/27/558275927.db2.gz HBLAPNKPYWQZED-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO CN(C)C(=O)c1cc([C@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762474 558277209 /nfs/dbraw/zinc/27/72/09/558277209.db2.gz ONRMKVDBYBJDKI-JOCHJYFZSA-N 1 2 419.529 2.971 40 0 HFABLO CN(C)C(=O)c1cc([C@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762474 558277211 /nfs/dbraw/zinc/27/72/11/558277211.db2.gz ONRMKVDBYBJDKI-JOCHJYFZSA-N 1 2 419.529 2.971 40 0 HFABLO O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022518448 558494335 /nfs/dbraw/zinc/49/43/35/558494335.db2.gz NLPLKJBTTWCAJZ-FQEVSTJZSA-N 1 2 423.513 2.680 40 0 HFABLO O=C(C[NH+]1CCN(c2ncccn2)CC1)N(Cc1ccccc1)c1ccc(F)cc1 ZINC000036058333 558797374 /nfs/dbraw/zinc/79/73/74/558797374.db2.gz AAFWFVZHWDWSPW-UHFFFAOYSA-N 1 2 405.477 2.971 40 0 HFABLO CCOc1ccc(C[N@@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)cc1OC ZINC000019533883 558913405 /nfs/dbraw/zinc/91/34/05/558913405.db2.gz GFYKXQHIKCSOLM-UHFFFAOYSA-N 1 2 407.474 2.501 40 0 HFABLO CCOc1ccc(C[N@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)cc1OC ZINC000019533883 558913410 /nfs/dbraw/zinc/91/34/10/558913410.db2.gz GFYKXQHIKCSOLM-UHFFFAOYSA-N 1 2 407.474 2.501 40 0 HFABLO CCOc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1OC ZINC000019533896 558913421 /nfs/dbraw/zinc/91/34/21/558913421.db2.gz GSJGJAKEPLZNIB-UHFFFAOYSA-N 1 2 412.534 2.972 40 0 HFABLO CCOc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1OC ZINC000019533896 558913424 /nfs/dbraw/zinc/91/34/24/558913424.db2.gz GSJGJAKEPLZNIB-UHFFFAOYSA-N 1 2 412.534 2.972 40 0 HFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000019573295 558931511 /nfs/dbraw/zinc/93/15/11/558931511.db2.gz BGEMCCGRSDRCKP-AWEZNQCLSA-N 1 2 410.927 2.521 40 0 HFABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Nc2nc(C(F)(F)F)cc(=O)[nH]2)CC1 ZINC000072342164 558940243 /nfs/dbraw/zinc/94/02/43/558940243.db2.gz AOPBDIDFVKXNOJ-UHFFFAOYSA-N 1 2 423.439 2.921 40 0 HFABLO CC(=O)N1CCCN(C(=O)c2sc3ccccc3c2[C@H]2C[N@H+](C)CCO2)CC1 ZINC000072356293 558953075 /nfs/dbraw/zinc/95/30/75/558953075.db2.gz YDWMSKWFHBDLLB-QGZVFWFLSA-N 1 2 401.532 2.599 40 0 HFABLO CC(=O)N1CCCN(C(=O)c2sc3ccccc3c2[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000072356293 558953078 /nfs/dbraw/zinc/95/30/78/558953078.db2.gz YDWMSKWFHBDLLB-QGZVFWFLSA-N 1 2 401.532 2.599 40 0 HFABLO Cc1ccccc1OCCC(=O)N1CCO[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000072370860 558957471 /nfs/dbraw/zinc/95/74/71/558957471.db2.gz QYVQMXIIXXKVNB-HXUWFJFHSA-N 1 2 419.485 2.798 40 0 HFABLO COc1ccc(CC(=O)N2CCO[C@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000072370857 558957495 /nfs/dbraw/zinc/95/74/95/558957495.db2.gz SPVUZSOBXUAIIY-FQEVSTJZSA-N 1 2 419.485 2.580 40 0 HFABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689305 558958795 /nfs/dbraw/zinc/95/87/95/558958795.db2.gz XYGQXJIICWQUFJ-KRWDZBQOSA-N 1 2 413.503 2.899 40 0 HFABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377592 558966736 /nfs/dbraw/zinc/96/67/36/558966736.db2.gz GWGYAXKQXDKABF-INIZCTEOSA-N 1 2 419.489 2.837 40 0 HFABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377592 558966738 /nfs/dbraw/zinc/96/67/38/558966738.db2.gz GWGYAXKQXDKABF-INIZCTEOSA-N 1 2 419.489 2.837 40 0 HFABLO Cc1cc(C)n(Cc2cc(C(=O)N[C@@H](C)C[NH+]3CCOCC3)c3ccccc3n2)n1 ZINC000019716449 558978305 /nfs/dbraw/zinc/97/83/05/558978305.db2.gz GLULACGIIRJHSZ-KRWDZBQOSA-N 1 2 407.518 2.547 40 0 HFABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cnccn1)CC2 ZINC000096037043 559090928 /nfs/dbraw/zinc/09/09/28/559090928.db2.gz UJKYBKFFVACKHX-UHFFFAOYSA-N 1 2 402.502 2.807 40 0 HFABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1cnccn1)CC2 ZINC000096037043 559090929 /nfs/dbraw/zinc/09/09/29/559090929.db2.gz UJKYBKFFVACKHX-UHFFFAOYSA-N 1 2 402.502 2.807 40 0 HFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)c1cccc(F)c1)CCC2 ZINC000096251240 559105256 /nfs/dbraw/zinc/10/52/56/559105256.db2.gz SHEDVITUSDOGPB-MBSDFSHPSA-N 1 2 410.493 2.668 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000000889139 560542278 /nfs/dbraw/zinc/54/22/78/560542278.db2.gz ZCZKXOGEXVBTDF-RXVVDRJESA-N 1 2 422.533 2.967 40 0 HFABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000893579 560543518 /nfs/dbraw/zinc/54/35/18/560543518.db2.gz WXQOMBPCTOBCJJ-GHTZIAJQSA-N 1 2 422.533 2.831 40 0 HFABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000893575 560543526 /nfs/dbraw/zinc/54/35/26/560543526.db2.gz WXQOMBPCTOBCJJ-WIYYLYMNSA-N 1 2 422.533 2.831 40 0 HFABLO O=C(c1ccccc1Br)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000019229473 560872068 /nfs/dbraw/zinc/87/20/68/560872068.db2.gz ZPEWORBLOCTOCO-MRXNPFEDSA-N 1 2 419.319 2.647 40 0 HFABLO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(C)cc4)[N@H+]4CCC[C@@H]4[C@H]3C2=O)cc1 ZINC000005205846 568442649 /nfs/dbraw/zinc/44/26/49/568442649.db2.gz NCPXALZWXBXALK-XRXFAXGQSA-N 1 2 404.466 2.839 40 0 HFABLO COc1ccc(N2C(=O)[C@H]3[C@H](C(=O)c4ccc(C)cc4)[N@@H+]4CCC[C@@H]4[C@H]3C2=O)cc1 ZINC000005205846 568442652 /nfs/dbraw/zinc/44/26/52/568442652.db2.gz NCPXALZWXBXALK-XRXFAXGQSA-N 1 2 404.466 2.839 40 0 HFABLO COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022438314 568486363 /nfs/dbraw/zinc/48/63/63/568486363.db2.gz MXHSAILGESXYSE-UHFFFAOYSA-N 1 2 415.515 2.663 40 0 HFABLO COc1cccc(-c2noc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000219248246 568488407 /nfs/dbraw/zinc/48/84/07/568488407.db2.gz MTQLSPMTTCJBIT-UHFFFAOYSA-N 1 2 408.458 2.507 40 0 HFABLO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000223861562 568561231 /nfs/dbraw/zinc/56/12/31/568561231.db2.gz JAQSQWXTHOVSMC-UHFFFAOYSA-N 1 2 405.863 2.791 40 0 HFABLO CN(C(=O)CCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257301633 568804847 /nfs/dbraw/zinc/80/48/47/568804847.db2.gz RZEQNKXVDBTCDS-MBOZVWFJSA-N 1 2 401.898 2.959 40 0 HFABLO CN(C(=O)CCCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257301633 568804848 /nfs/dbraw/zinc/80/48/48/568804848.db2.gz RZEQNKXVDBTCDS-MBOZVWFJSA-N 1 2 401.898 2.959 40 0 HFABLO COCCN1C(=O)Cc2c1nc([C@]1(C)CCC[N@@H+]1Cc1scnc1C)nc2C ZINC000257303705 568805657 /nfs/dbraw/zinc/80/56/57/568805657.db2.gz SIJJULVFKYXLMR-FQEVSTJZSA-N 1 2 401.536 2.597 40 0 HFABLO COCCN1C(=O)Cc2c1nc([C@]1(C)CCC[N@H+]1Cc1scnc1C)nc2C ZINC000257303705 568805659 /nfs/dbraw/zinc/80/56/59/568805659.db2.gz SIJJULVFKYXLMR-FQEVSTJZSA-N 1 2 401.536 2.597 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257315278 568808764 /nfs/dbraw/zinc/80/87/64/568808764.db2.gz VAPKDIABIFCIJJ-YLJYHZDGSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257315278 568808765 /nfs/dbraw/zinc/80/87/65/568808765.db2.gz VAPKDIABIFCIJJ-YLJYHZDGSA-N 1 2 405.520 2.903 40 0 HFABLO COc1ccccc1-c1ccc2c([C@H]3C[N@H+](Cc4cnn(C)c4)CCN3C)nnn2c1 ZINC000306128902 568891643 /nfs/dbraw/zinc/89/16/43/568891643.db2.gz HNYNTOZVHKIEIK-OAQYLSRUSA-N 1 2 417.517 2.627 40 0 HFABLO COc1ccccc1-c1ccc2c([C@H]3C[N@@H+](Cc4cnn(C)c4)CCN3C)nnn2c1 ZINC000306128902 568891644 /nfs/dbraw/zinc/89/16/44/568891644.db2.gz HNYNTOZVHKIEIK-OAQYLSRUSA-N 1 2 417.517 2.627 40 0 HFABLO COCCN1CCC[C@]2(C[N@H+](Cc3ccc4c(c3)OCCO4)CC(F)(F)C2)C1=O ZINC000306132693 568894870 /nfs/dbraw/zinc/89/48/70/568894870.db2.gz LPKBEOKNQOCQRI-FQEVSTJZSA-N 1 2 410.461 2.554 40 0 HFABLO COCCN1CCC[C@]2(C[N@@H+](Cc3ccc4c(c3)OCCO4)CC(F)(F)C2)C1=O ZINC000306132693 568894872 /nfs/dbraw/zinc/89/48/72/568894872.db2.gz LPKBEOKNQOCQRI-FQEVSTJZSA-N 1 2 410.461 2.554 40 0 HFABLO CCN1CCC[C@@]2(C[N@H+](Cc3cc(C(=O)OC)ccc3OC)CC(F)(F)C2)C1=O ZINC000306133580 568895621 /nfs/dbraw/zinc/89/56/21/568895621.db2.gz MQCFOVIXBFOWDS-HXUWFJFHSA-N 1 2 410.461 2.952 40 0 HFABLO CCN1CCC[C@@]2(C[N@@H+](Cc3cc(C(=O)OC)ccc3OC)CC(F)(F)C2)C1=O ZINC000306133580 568895623 /nfs/dbraw/zinc/89/56/23/568895623.db2.gz MQCFOVIXBFOWDS-HXUWFJFHSA-N 1 2 410.461 2.952 40 0 HFABLO O=C(NCCCn1cc[nH+]c1)c1nc(-c2ccnn2-c2ccccc2)n2ccncc12 ZINC000306134155 568896127 /nfs/dbraw/zinc/89/61/27/568896127.db2.gz NESFDURYHWRIIH-UHFFFAOYSA-N 1 2 412.457 2.599 40 0 HFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CC3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306143393 568905034 /nfs/dbraw/zinc/90/50/34/568905034.db2.gz YBDPAOQSQQQUKA-CVDCTZTESA-N 1 2 407.518 2.614 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328957813 568969560 /nfs/dbraw/zinc/96/95/60/568969560.db2.gz ALTGJPUXZVNWDZ-CYBMUJFWSA-N 1 2 419.407 2.686 40 0 HFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245229742 569313815 /nfs/dbraw/zinc/31/38/15/569313815.db2.gz DZZMEVXEULESIY-ZBNTXBBCSA-N 1 2 422.481 2.776 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693508 569346436 /nfs/dbraw/zinc/34/64/36/569346436.db2.gz TVTNVYQSMKSNQC-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693508 569346437 /nfs/dbraw/zinc/34/64/37/569346437.db2.gz TVTNVYQSMKSNQC-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO CC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020139743 571314586 /nfs/dbraw/zinc/31/45/86/571314586.db2.gz ZFJPBGVLYSZPGF-HXUWFJFHSA-N 1 2 409.513 2.869 40 0 HFABLO CC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020139740 571314607 /nfs/dbraw/zinc/31/46/07/571314607.db2.gz ZFJPBGVLYSZPGF-FQEVSTJZSA-N 1 2 409.513 2.869 40 0 HFABLO CC(C)(C)CC(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408682 291216664 /nfs/dbraw/zinc/21/66/64/291216664.db2.gz YLZTXWRSJJJMRY-IBGZPJMESA-N 1 2 400.567 2.939 40 0 biogenic,in-vitro HFABLO CC(C)(C)CC(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253408682 291216666 /nfs/dbraw/zinc/21/66/66/291216666.db2.gz YLZTXWRSJJJMRY-IBGZPJMESA-N 1 2 400.567 2.939 40 0 biogenic,in-vitro HFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1C(=O)C1CCCCC1 ZINC000015676425 291221156 /nfs/dbraw/zinc/22/11/56/291221156.db2.gz BGRKQZWOCUDLAU-FQEVSTJZSA-N 1 2 411.502 2.947 40 0 biogenic,in-vitro HFABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408554981 557445858 /nfs/dbraw/zinc/44/58/58/557445858.db2.gz GNPQVPQFRORFED-HXUWFJFHSA-N 1 2 421.457 2.971 40 0 HFABLO COCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000408564652 557471763 /nfs/dbraw/zinc/47/17/63/557471763.db2.gz ZTJRLTRHGIKTCR-UHFFFAOYSA-N 1 2 411.502 2.537 40 0 HFABLO CCC[C@@H]1OC[C@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496236 557657736 /nfs/dbraw/zinc/65/77/36/557657736.db2.gz PCUBUZPKKMIXRP-OLKYXYMISA-N 1 2 413.514 2.521 40 0 HFABLO Cc1cc2c(cc1-c1c[nH+]cn1[C@H](CO)Cc1ccc(N(C)C)cc1)n(C)c(=O)n2C ZINC000019719931 558258458 /nfs/dbraw/zinc/25/84/58/558258458.db2.gz HBWVZYHFHZRBBN-IBGZPJMESA-N 1 2 419.529 2.891 40 0 HFABLO CCOc1ccc(N2C(=O)C[C@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609198 558501164 /nfs/dbraw/zinc/50/11/64/558501164.db2.gz CEQLLWKRXYDBLR-IBGZPJMESA-N 1 2 410.470 2.793 40 0 HFABLO CCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000022609198 558501166 /nfs/dbraw/zinc/50/11/66/558501166.db2.gz CEQLLWKRXYDBLR-IBGZPJMESA-N 1 2 410.470 2.793 40 0 HFABLO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1 ZINC000024040815 558585994 /nfs/dbraw/zinc/58/59/94/558585994.db2.gz ZKJLXPABTBZTKK-OAQYLSRUSA-N 1 2 415.559 2.812 40 0 HFABLO CCn1nc(C)c(C[NH+]2CCN(C(=O)c3cc(C)nc4c3c(C)nn4CC)CC2)c1C ZINC000036612055 558725004 /nfs/dbraw/zinc/72/50/04/558725004.db2.gz JYVWDLNZMVNITI-UHFFFAOYSA-N 1 2 423.565 2.859 40 0 HFABLO COc1ccc2nc(Cl)c(CN(CC[NH+]3CCOCC3)C(=O)C3CC3)cc2c1 ZINC000035314766 558790086 /nfs/dbraw/zinc/79/00/86/558790086.db2.gz DPWNGDFRUGMYQN-UHFFFAOYSA-N 1 2 403.910 2.968 40 0 HFABLO CC(=O)N1CC[C@H](c2nc(N(C)C)ncc2-c2cc[nH+]c(NC3CCOCC3)c2)C1 ZINC000019016439 558837148 /nfs/dbraw/zinc/83/71/48/558837148.db2.gz KJKVAFBKIZIUSJ-KRWDZBQOSA-N 1 2 410.522 2.531 40 0 HFABLO CC(=O)N1CC[C@@H](c2nc(N(C)C)ncc2-c2cc[nH+]c(NC3CCOCC3)c2)C1 ZINC000019016437 558837160 /nfs/dbraw/zinc/83/71/60/558837160.db2.gz KJKVAFBKIZIUSJ-QGZVFWFLSA-N 1 2 410.522 2.531 40 0 HFABLO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)cc1 ZINC000019079051 558838849 /nfs/dbraw/zinc/83/88/49/558838849.db2.gz HTBTWWSIZPPCPF-RDPSFJRHSA-N 1 2 423.557 2.650 40 0 HFABLO O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019402091 558883868 /nfs/dbraw/zinc/88/38/68/558883868.db2.gz KUCBNBVCJHFGSE-UHFFFAOYSA-N 1 2 407.923 2.638 40 0 HFABLO CC(C)[N@@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c(=O)c2C1 ZINC000019448159 558886953 /nfs/dbraw/zinc/88/69/53/558886953.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 1 2 410.522 2.504 40 0 HFABLO CC(C)[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c(=O)c2C1 ZINC000019448159 558886956 /nfs/dbraw/zinc/88/69/56/558886956.db2.gz XILVVMCYXRTGML-IBGZPJMESA-N 1 2 410.522 2.504 40 0 HFABLO CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N3CC[NH+](CCOC(C)C)CC3)c2N1 ZINC000019520871 558902251 /nfs/dbraw/zinc/90/22/51/558902251.db2.gz GIGKEQBDWQLQIG-HOCLYGCPSA-N 1 2 417.476 2.764 40 0 HFABLO COc1cccc([C@@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2[nH+]ccn2C)c1 ZINC000019571448 558930137 /nfs/dbraw/zinc/93/01/37/558930137.db2.gz ICOYBDJCHPRXTC-LJQANCHMSA-N 1 2 401.488 2.814 40 0 HFABLO Cc1cc(C)n(Cc2cc(C(=O)NC[C@H](C)[NH+]3CCOCC3)c3ccccc3n2)n1 ZINC000019574373 558931956 /nfs/dbraw/zinc/93/19/56/558931956.db2.gz RYNFMXSSLOCVDZ-SFHVURJKSA-N 1 2 407.518 2.547 40 0 HFABLO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccccn2)CCO1 ZINC000019591919 558942598 /nfs/dbraw/zinc/94/25/98/558942598.db2.gz WTOJTIWMGURIKW-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccccn2)CCO1 ZINC000019591919 558942600 /nfs/dbraw/zinc/94/26/00/558942600.db2.gz WTOJTIWMGURIKW-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019707813 558969937 /nfs/dbraw/zinc/96/99/37/558969937.db2.gz UVWZKPATCQSYLR-QGZVFWFLSA-N 1 2 411.525 2.984 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019707813 558969939 /nfs/dbraw/zinc/96/99/39/558969939.db2.gz UVWZKPATCQSYLR-QGZVFWFLSA-N 1 2 411.525 2.984 40 0 HFABLO O=C(CCc1nc(-c2cccnc2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000106036221 559163425 /nfs/dbraw/zinc/16/34/25/559163425.db2.gz JMZXTKBVANKPII-VMPITWQZSA-N 1 2 403.486 2.922 40 0 HFABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848170 560609824 /nfs/dbraw/zinc/60/98/24/560609824.db2.gz MVSOYSMBEMEIAT-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848170 560609825 /nfs/dbraw/zinc/60/98/25/560609825.db2.gz MVSOYSMBEMEIAT-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595852 560738248 /nfs/dbraw/zinc/73/82/48/560738248.db2.gz ZLZUELCOXFCZDS-HGHGUNKESA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000005595852 560738249 /nfs/dbraw/zinc/73/82/49/560738249.db2.gz ZLZUELCOXFCZDS-HGHGUNKESA-N 1 2 422.533 2.823 40 0 HFABLO O=C(NCCCn1cc[nH+]c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000045162296 560861621 /nfs/dbraw/zinc/86/16/21/560861621.db2.gz JLNSGUTTZHVTCV-UHFFFAOYSA-N 1 2 410.927 2.531 40 0 HFABLO O=C(Nc1ccccc1)N1C[C@@H]2COCCN2C2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000604381984 568489391 /nfs/dbraw/zinc/48/93/91/568489391.db2.gz XSTJMXAAKJUHGG-HXUWFJFHSA-N 1 2 410.493 2.629 40 0 biogenic,in-vitro HFABLO CC(C)[C@@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671406 568495248 /nfs/dbraw/zinc/49/52/48/568495248.db2.gz CFNUTLPYYGUBGM-QFIPXVFZSA-N 1 2 420.517 2.969 40 0 HFABLO Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000222735013 568525134 /nfs/dbraw/zinc/52/51/34/568525134.db2.gz AXQCDWQLHQZLPY-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO Cc1ccc(NC(=O)Cc2ccccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225441506 568638243 /nfs/dbraw/zinc/63/82/43/568638243.db2.gz XBMJQJWTYJPGOV-UHFFFAOYSA-N 1 2 421.950 2.766 40 0 HFABLO C[C@]12CC[N@H+](CC(=O)Nc3nncs3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257284489 568799765 /nfs/dbraw/zinc/79/97/65/568799765.db2.gz PCWYWWCLYZCIFO-UWJYYQICSA-N 1 2 413.547 2.912 40 0 HFABLO C[C@]12CC[N@@H+](CC(=O)Nc3nncs3)[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257284489 568799768 /nfs/dbraw/zinc/79/97/68/568799768.db2.gz PCWYWWCLYZCIFO-UWJYYQICSA-N 1 2 413.547 2.912 40 0 HFABLO CCn1c(C)nc2cc(C(=O)N(C)C[C@]3(O)CCCN(c4cc(C)[nH+]cn4)C3)ccc21 ZINC000257303247 568805509 /nfs/dbraw/zinc/80/55/09/568805509.db2.gz SGJOFOVFSOGMKZ-HSZRJFAPSA-N 1 2 422.533 2.567 40 0 HFABLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1CO ZINC000257306290 568806302 /nfs/dbraw/zinc/80/63/02/568806302.db2.gz STRLLAFTPDWXHV-JOCHJYFZSA-N 1 2 421.501 2.585 40 0 HFABLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1CO ZINC000257306290 568806305 /nfs/dbraw/zinc/80/63/05/568806305.db2.gz STRLLAFTPDWXHV-JOCHJYFZSA-N 1 2 421.501 2.585 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364456 568819528 /nfs/dbraw/zinc/81/95/28/568819528.db2.gz LQGDQIRPINTCBE-FQEVSTJZSA-O 1 2 423.474 2.891 40 0 HFABLO Cn1cc(C[N@@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125225 568887847 /nfs/dbraw/zinc/88/78/47/568887847.db2.gz CJVRHSREYFXHJK-QFIPXVFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(C[N@H+]2CCN(CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125225 568887848 /nfs/dbraw/zinc/88/78/48/568887848.db2.gz CJVRHSREYFXHJK-QFIPXVFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(CN2CC[N@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125225 568887850 /nfs/dbraw/zinc/88/78/50/568887850.db2.gz CJVRHSREYFXHJK-QFIPXVFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(CN2CC[N@@H+](CC3CC3)[C@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125225 568887853 /nfs/dbraw/zinc/88/78/53/568887853.db2.gz CJVRHSREYFXHJK-QFIPXVFZSA-N 1 2 419.577 2.937 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cccnc5)CCN4C)nnn3c2)cn1 ZINC000306128878 568891695 /nfs/dbraw/zinc/89/16/95/568891695.db2.gz HNKLWVUOYQKVAC-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cccnc5)CCN4C)nnn3c2)cn1 ZINC000306128878 568891696 /nfs/dbraw/zinc/89/16/96/568891696.db2.gz HNKLWVUOYQKVAC-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO Cc1cccc(CN2CCC[C@@]3(CN(Cc4c[nH+]cn4C)CC(F)(F)C3)C2=O)n1 ZINC000306134303 568896374 /nfs/dbraw/zinc/89/63/74/568896374.db2.gz NIMAMQQVNVYVGM-HXUWFJFHSA-N 1 2 403.477 2.774 40 0 HFABLO O=C(NCCCn1cc[nH+]c1)c1nc(-c2ccnn2C2CCCC2)n2ccncc12 ZINC000306136400 568898164 /nfs/dbraw/zinc/89/81/64/568898164.db2.gz PSKQZXNQDOTTFU-UHFFFAOYSA-N 1 2 404.478 2.725 40 0 HFABLO CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306142461 568903983 /nfs/dbraw/zinc/90/39/83/568903983.db2.gz WZQRSHPLTSCCTB-FXAWDEMLSA-N 1 2 401.536 2.594 40 0 HFABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144209 568905688 /nfs/dbraw/zinc/90/56/88/568905688.db2.gz YZHHTUCLSKPKIW-DYESRHJHSA-N 1 2 415.563 2.984 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328957821 568969610 /nfs/dbraw/zinc/96/96/10/568969610.db2.gz ALTGJPUXZVNWDZ-ZDUSSCGKSA-N 1 2 419.407 2.686 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069407 568975671 /nfs/dbraw/zinc/97/56/71/568975671.db2.gz YXBKRWOHOMJBJH-CYBMUJFWSA-N 1 2 419.407 2.686 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591492 569318175 /nfs/dbraw/zinc/31/81/75/569318175.db2.gz NXFGXNINQRZKCK-WRWLIDTKSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591492 569318176 /nfs/dbraw/zinc/31/81/76/569318176.db2.gz NXFGXNINQRZKCK-WRWLIDTKSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000015637923 569345069 /nfs/dbraw/zinc/34/50/69/569345069.db2.gz ISTABOFQOGQMSI-UHFFFAOYSA-N 1 2 423.922 2.537 40 0 HFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692980 569346303 /nfs/dbraw/zinc/34/63/03/569346303.db2.gz BFRLJMVYXLPDFM-OAQYLSRUSA-N 1 2 420.517 2.890 40 0 HFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692980 569346304 /nfs/dbraw/zinc/34/63/04/569346304.db2.gz BFRLJMVYXLPDFM-OAQYLSRUSA-N 1 2 420.517 2.890 40 0 HFABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@H+](C)CC2=CCCOC2)n1 ZINC000019700929 569347240 /nfs/dbraw/zinc/34/72/40/569347240.db2.gz PKHZAVIRMFJHJP-HXUWFJFHSA-N 1 2 421.545 2.813 40 0 HFABLO CNc1cc([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc(C[N@@H+](C)CC2=CCCOC2)n1 ZINC000019700929 569347241 /nfs/dbraw/zinc/34/72/41/569347241.db2.gz PKHZAVIRMFJHJP-HXUWFJFHSA-N 1 2 421.545 2.813 40 0 HFABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(CO)o2)n1 ZINC000035424987 291222115 /nfs/dbraw/zinc/22/21/15/291222115.db2.gz SCGFMOTXVQXDQS-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO COCCOc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(CO)o2)n1 ZINC000035424987 291222117 /nfs/dbraw/zinc/22/21/17/291222117.db2.gz SCGFMOTXVQXDQS-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3ccc(CO)o3)n2)cc1 ZINC000015675697 291224711 /nfs/dbraw/zinc/22/47/11/291224711.db2.gz PPPJIXJRUYREMC-IBGZPJMESA-N 1 2 407.430 2.853 40 0 biogenic,in-vitro HFABLO COc1ccc(-c2noc(C(=O)N3CCN(c4cccc[nH+]4)CC3)c2[C@H](C)O)cc1 ZINC000225429266 291224225 /nfs/dbraw/zinc/22/42/25/291224225.db2.gz VHXPQCJJZDMCRY-HNNXBMFYSA-N 1 2 408.458 2.761 40 0 biogenic,in-vitro HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000020800091 527554908 /nfs/dbraw/zinc/55/49/08/527554908.db2.gz SSGNYLNADPGOOW-OAHLLOKOSA-N 1 2 402.458 2.877 40 0 HFABLO CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020635681 535534066 /nfs/dbraw/zinc/53/40/66/535534066.db2.gz TUZPHKLUPSRXCB-CYBMUJFWSA-N 1 2 410.478 2.512 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)NC(C)C ZINC000408606286 557518364 /nfs/dbraw/zinc/51/83/64/557518364.db2.gz ONTUOEZWNAPSGY-UHFFFAOYSA-N 1 2 415.559 2.640 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000035855895 557645054 /nfs/dbraw/zinc/64/50/54/557645054.db2.gz NCPXALZWXBXALK-NCYKPQTJSA-N 1 2 404.466 2.839 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(C)cc2)cc1 ZINC000035855895 557645056 /nfs/dbraw/zinc/64/50/56/557645056.db2.gz NCPXALZWXBXALK-NCYKPQTJSA-N 1 2 404.466 2.839 40 0 HFABLO Cc1cc2c(cc1-c1c[nH+]cn1[C@@H](CO)Cc1ccc(N(C)C)cc1)n(C)c(=O)n2C ZINC000019719932 558258756 /nfs/dbraw/zinc/25/87/56/558258756.db2.gz HBWVZYHFHZRBBN-LJQANCHMSA-N 1 2 419.529 2.891 40 0 HFABLO Cc1[nH]c2ccc(NC(=O)[C@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2[nH+]1 ZINC000019747672 558267228 /nfs/dbraw/zinc/26/72/28/558267228.db2.gz XCENDUZCMAZRLI-ZDUSSCGKSA-N 1 2 402.451 2.660 40 0 HFABLO Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019820000 558290415 /nfs/dbraw/zinc/29/04/15/558290415.db2.gz IIBJOHNQBSMZAV-GFCCVEGCSA-N 1 2 400.870 2.685 40 0 HFABLO O=C1C[C@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000020458079 558371026 /nfs/dbraw/zinc/37/10/26/558371026.db2.gz GACXALCRISFOOL-SFHVURJKSA-N 1 2 403.841 2.639 40 0 HFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1OCC ZINC000020801747 558415491 /nfs/dbraw/zinc/41/54/91/558415491.db2.gz UTNCZXYGWCPGBY-LEWJYISDSA-N 1 2 421.497 2.850 40 0 HFABLO Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000015992276 558765500 /nfs/dbraw/zinc/76/55/00/558765500.db2.gz GRXHRPBVDHYVEN-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO O=C(NCCCn1cc[nH+]c1)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000013230236 558827079 /nfs/dbraw/zinc/82/70/79/558827079.db2.gz YUWJUYUYKUNBSK-UHFFFAOYSA-N 1 2 415.379 2.827 40 0 HFABLO NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(Oc3cccc(F)c3)CC1)CCC2 ZINC000019294221 558865803 /nfs/dbraw/zinc/86/58/03/558865803.db2.gz GHANLVTUBZGUIH-UHFFFAOYSA-N 1 2 417.506 2.957 40 0 HFABLO O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccccc1C[NH+]1CCOCC1 ZINC000019349195 558874850 /nfs/dbraw/zinc/87/48/50/558874850.db2.gz ZXUIRONQFMKSIZ-UHFFFAOYSA-N 1 2 408.424 2.862 40 0 HFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448157 558887073 /nfs/dbraw/zinc/88/70/73/558887073.db2.gz ICNMREJUUXZCDG-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccncc5)CC4)[nH]n3c(=O)c2C1 ZINC000019448157 558887075 /nfs/dbraw/zinc/88/70/75/558887075.db2.gz ICNMREJUUXZCDG-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO CC(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450644 558889127 /nfs/dbraw/zinc/88/91/27/558889127.db2.gz XEYUXBVASXOCOL-NRFANRHFSA-N 1 2 410.518 2.799 40 0 HFABLO CC(=O)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450644 558889129 /nfs/dbraw/zinc/88/91/29/558889129.db2.gz XEYUXBVASXOCOL-NRFANRHFSA-N 1 2 410.518 2.799 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=Cc4ccccc4OC2)C3)C[C@@H](C)O1 ZINC000019497571 558896352 /nfs/dbraw/zinc/89/63/52/558896352.db2.gz MRXOEPRHXRXYEB-HZPDHXFCSA-N 1 2 408.502 2.630 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=Cc4ccccc4OC2)C3)C[C@@H](C)O1 ZINC000019497571 558896354 /nfs/dbraw/zinc/89/63/54/558896354.db2.gz MRXOEPRHXRXYEB-HZPDHXFCSA-N 1 2 408.502 2.630 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1cc(F)cc(F)c1)CC3 ZINC000019550827 558915378 /nfs/dbraw/zinc/91/53/78/558915378.db2.gz SUVMVSCURCNSMZ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1cc(F)cc(F)c1)CC3 ZINC000019550827 558915381 /nfs/dbraw/zinc/91/53/81/558915381.db2.gz SUVMVSCURCNSMZ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO CC(=O)NCC(=O)N1CCC[C@@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)[nH+]2)C1 ZINC000019570140 558928965 /nfs/dbraw/zinc/92/89/65/558928965.db2.gz LXEOQFVKSUTHOC-GOSISDBHSA-N 1 2 424.501 2.983 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N[C@@H](C)Cc4ccccn4)n2)C[N@H+](C)CC3)CC1 ZINC000072345728 558942319 /nfs/dbraw/zinc/94/23/19/558942319.db2.gz DKIHUBGHXNHZAA-INIZCTEOSA-N 1 2 408.550 2.629 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N[C@@H](C)Cc4ccccn4)n2)C[N@@H+](C)CC3)CC1 ZINC000072345728 558942321 /nfs/dbraw/zinc/94/23/21/558942321.db2.gz DKIHUBGHXNHZAA-INIZCTEOSA-N 1 2 408.550 2.629 40 0 HFABLO Cn1ncc2c1nc[nH+]c2NCC(=O)N1CCC(COc2ccc(Cl)cc2)CC1 ZINC000019665164 558955445 /nfs/dbraw/zinc/95/54/45/558955445.db2.gz BFPMGBSHRYOPDI-UHFFFAOYSA-N 1 2 414.897 2.746 40 0 HFABLO Nc1cc(-c2cncnc2[C@H]2CN(C(=O)c3cccc4ncccc43)CCO2)cc[nH+]1 ZINC000072370846 558957244 /nfs/dbraw/zinc/95/72/44/558957244.db2.gz HDDFVHCYTFEYET-HXUWFJFHSA-N 1 2 412.453 2.883 40 0 HFABLO O=C(C[N@H+]1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@H](c2csnn2)C1 ZINC000072372998 558960891 /nfs/dbraw/zinc/96/08/91/558960891.db2.gz IAJCKCYBIUDIQZ-SFHVURJKSA-N 1 2 417.554 2.591 40 0 HFABLO O=C(C[N@@H+]1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@H](c2csnn2)C1 ZINC000072372998 558960893 /nfs/dbraw/zinc/96/08/93/558960893.db2.gz IAJCKCYBIUDIQZ-SFHVURJKSA-N 1 2 417.554 2.591 40 0 HFABLO COc1cccc(OCC[N@H+](C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 ZINC000019698068 558965721 /nfs/dbraw/zinc/96/57/21/558965721.db2.gz KYTDCGNTXDTLIU-UHFFFAOYSA-N 1 2 410.518 2.994 40 0 HFABLO COc1cccc(OCC[N@@H+](C)Cc2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)c1 ZINC000019698068 558965723 /nfs/dbraw/zinc/96/57/23/558965723.db2.gz KYTDCGNTXDTLIU-UHFFFAOYSA-N 1 2 410.518 2.994 40 0 HFABLO CNc1nc([C@@H]2CCCC[N@@H+]2Cc2cnc(C)s2)nc2c1CN(C(C)=O)CC2 ZINC000019710363 558972423 /nfs/dbraw/zinc/97/24/23/558972423.db2.gz KYCMBMUAYLEFOZ-SFHVURJKSA-N 1 2 400.552 2.915 40 0 HFABLO CNc1nc([C@@H]2CCCC[N@H+]2Cc2cnc(C)s2)nc2c1CN(C(C)=O)CC2 ZINC000019710363 558972425 /nfs/dbraw/zinc/97/24/25/558972425.db2.gz KYCMBMUAYLEFOZ-SFHVURJKSA-N 1 2 400.552 2.915 40 0 HFABLO O=C(NCc1cccs1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096206 559023499 /nfs/dbraw/zinc/02/34/99/559023499.db2.gz YBOXTOIJEQPKCR-LJQANCHMSA-N 1 2 405.483 2.939 40 0 HFABLO O=C(NCC1CC1)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)C1CCCC1)CCC2 ZINC000096056160 559094075 /nfs/dbraw/zinc/09/40/75/559094075.db2.gz OADAIWWXSNOWRL-RDPSFJRHSA-N 1 2 410.562 2.843 40 0 HFABLO COc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251259 559105289 /nfs/dbraw/zinc/10/52/89/559105289.db2.gz MEOCQXBDFIICLA-CYFREDJKSA-N 1 2 422.529 2.537 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096265043 559107569 /nfs/dbraw/zinc/10/75/69/559107569.db2.gz ZWUMPEVSMOZGDV-JOCHJYFZSA-N 1 2 404.518 2.712 40 0 HFABLO CCc1[nH+]ccn1CC(=O)N[C@H](Cc1cc(=O)n2[nH]c(C)cc2n1)c1ccc(F)cc1 ZINC000100220686 559132262 /nfs/dbraw/zinc/13/22/62/559132262.db2.gz RZYMDXCJTFHXDF-GOSISDBHSA-N 1 2 422.464 2.742 40 0 HFABLO Cc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000113959072 559183578 /nfs/dbraw/zinc/18/35/78/559183578.db2.gz GIVODNDGPCVVTE-GOSISDBHSA-N 1 2 415.559 2.731 40 0 HFABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1 ZINC000409410321 560721219 /nfs/dbraw/zinc/72/12/19/560721219.db2.gz MILACTXYTARQFA-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc32)cc1 ZINC000020766175 568458965 /nfs/dbraw/zinc/45/89/65/568458965.db2.gz MNHDYACPCOMDBD-UHFFFAOYSA-N 1 2 413.543 2.524 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057643923 568494246 /nfs/dbraw/zinc/49/42/46/568494246.db2.gz NKXWPAFPIWOFHN-GOSISDBHSA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057643923 568494248 /nfs/dbraw/zinc/49/42/48/568494248.db2.gz NKXWPAFPIWOFHN-GOSISDBHSA-N 1 2 412.538 2.914 40 0 HFABLO COCCn1nnnc1[C@H](CC(C)C)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000057670067 568494550 /nfs/dbraw/zinc/49/45/50/568494550.db2.gz UESDJGGGDJJASK-KRWDZBQOSA-N 1 2 415.567 2.839 40 0 HFABLO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670529 568494648 /nfs/dbraw/zinc/49/46/48/568494648.db2.gz WORUOBPOPYDIRD-VQTJNVASSA-N 1 2 402.518 2.901 40 0 HFABLO COc1ccccc1N1CC[NH+](CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000057711751 568496058 /nfs/dbraw/zinc/49/60/58/568496058.db2.gz DYKWIEFFTRYJDL-UHFFFAOYSA-N 1 2 422.529 2.692 40 0 HFABLO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731086 568496486 /nfs/dbraw/zinc/49/64/86/568496486.db2.gz DDRDDUOQMUYICI-VBKZILBWSA-N 1 2 417.506 2.749 40 0 HFABLO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000057731086 568496488 /nfs/dbraw/zinc/49/64/88/568496488.db2.gz DDRDDUOQMUYICI-VBKZILBWSA-N 1 2 417.506 2.749 40 0 HFABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)c(=O)[nH]c2c1 ZINC000026100319 568539183 /nfs/dbraw/zinc/53/91/83/568539183.db2.gz MDFNZNZOUVHNSK-UHFFFAOYSA-N 1 2 416.591 2.501 40 0 HFABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C ZINC000223179459 568540237 /nfs/dbraw/zinc/54/02/37/568540237.db2.gz GWHJSWHBXHMEFA-RTWAWAEBSA-N 1 2 413.591 2.732 40 0 HFABLO O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000224651110 568590565 /nfs/dbraw/zinc/59/05/65/568590565.db2.gz NQFXAFWHWMJVGK-UHFFFAOYSA-N 1 2 410.499 2.968 40 0 HFABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095533803 568635427 /nfs/dbraw/zinc/63/54/27/568635427.db2.gz XXYLYMHUTXVNIB-QGZVFWFLSA-N 1 2 400.435 2.563 40 0 HFABLO CN(c1cccc(NC(=S)NCc2ccc(-n3cc[nH+]c3)cc2)c1)S(C)(=O)=O ZINC000225453824 568639279 /nfs/dbraw/zinc/63/92/79/568639279.db2.gz MDGNTQSOHHUHHK-UHFFFAOYSA-N 1 2 415.544 2.755 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259147 568792624 /nfs/dbraw/zinc/79/26/24/568792624.db2.gz KXBVPSPUQNDNLZ-FQEVSTJZSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259147 568792625 /nfs/dbraw/zinc/79/26/25/568792625.db2.gz KXBVPSPUQNDNLZ-FQEVSTJZSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259148 568792688 /nfs/dbraw/zinc/79/26/88/568792688.db2.gz KXBVPSPUQNDNLZ-HXUWFJFHSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(Cl)cc4)n[nH]3)C2)cn1 ZINC000257259148 568792690 /nfs/dbraw/zinc/79/26/90/568792690.db2.gz KXBVPSPUQNDNLZ-HXUWFJFHSA-N 1 2 401.898 2.992 40 0 HFABLO O=C(C[N@@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267233 568794863 /nfs/dbraw/zinc/79/48/63/568794863.db2.gz MGMCGYARNNLIHD-GOSISDBHSA-N 1 2 419.481 2.909 40 0 HFABLO O=C(C[N@H+]1CCOC[C@H](Cc2ccc3ccoc3c2)C1)N1CC(=O)Nc2ccccc21 ZINC000257267233 568794865 /nfs/dbraw/zinc/79/48/65/568794865.db2.gz MGMCGYARNNLIHD-GOSISDBHSA-N 1 2 419.481 2.909 40 0 HFABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257284341 568799794 /nfs/dbraw/zinc/79/97/94/568799794.db2.gz PCGUYFSFDAVGPP-UNMCSNQZSA-N 1 2 424.545 2.972 40 0 HFABLO COCC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142392 568903937 /nfs/dbraw/zinc/90/39/37/568903937.db2.gz WYIKXAFWLUHEDH-MJGOQNOKSA-N 1 2 416.440 2.861 40 0 HFABLO COCC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142392 568903939 /nfs/dbraw/zinc/90/39/39/568903939.db2.gz WYIKXAFWLUHEDH-MJGOQNOKSA-N 1 2 416.440 2.861 40 0 HFABLO CC(C)n1cc(C[N@@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144191 568905562 /nfs/dbraw/zinc/90/55/62/568905562.db2.gz YYOFFFHKSJEEFF-TZIWHRDSSA-N 1 2 411.531 2.620 40 0 HFABLO CC(C)n1cc(C[N@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144191 568905563 /nfs/dbraw/zinc/90/55/63/568905563.db2.gz YYOFFFHKSJEEFF-TZIWHRDSSA-N 1 2 411.531 2.620 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328984923 568971411 /nfs/dbraw/zinc/97/14/11/568971411.db2.gz HQSVPEAIQZWMPY-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000329004443 568972209 /nfs/dbraw/zinc/97/22/09/568972209.db2.gz KSVDUTHRLLFECB-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329034360 568973880 /nfs/dbraw/zinc/97/38/80/568973880.db2.gz QYOZPIVFSATKEG-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000231430502 569288522 /nfs/dbraw/zinc/28/85/22/569288522.db2.gz TXXMQEGAHWSIIN-OZQHCQBDSA-N 1 2 412.511 2.558 40 0 HFABLO C[N@H+](CC(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1)Cc1ccccn1 ZINC000019713102 569348305 /nfs/dbraw/zinc/34/83/05/569348305.db2.gz AJVWYQWZZUZJCI-FGZHOGPDSA-N 1 2 424.520 2.835 40 0 HFABLO C[N@@H+](CC(=O)N1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccc(F)cc1)Cc1ccccn1 ZINC000019713102 569348306 /nfs/dbraw/zinc/34/83/06/569348306.db2.gz AJVWYQWZZUZJCI-FGZHOGPDSA-N 1 2 424.520 2.835 40 0 HFABLO COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000225431705 291224717 /nfs/dbraw/zinc/22/47/17/291224717.db2.gz SESCDEAYBPRZBK-HNNXBMFYSA-N 1 2 408.458 2.761 40 0 biogenic,in-vitro HFABLO Cc1ccc([C@H](CNC(=O)c2ccc(N3CCOCC3)cc2)[NH+]2CCOCC2)cc1 ZINC000019717136 132469353 /nfs/dbraw/zinc/46/93/53/132469353.db2.gz MDCZWLBKTVHPFI-QHCPKHFHSA-N 1 2 409.530 2.635 40 0 HFABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408554976 557445507 /nfs/dbraw/zinc/44/55/07/557445507.db2.gz GNPQVPQFRORFED-FQEVSTJZSA-N 1 2 421.457 2.971 40 0 HFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000004889830 557610430 /nfs/dbraw/zinc/61/04/30/557610430.db2.gz DZZMEVXEULESIY-XHOYROJHSA-N 1 2 422.481 2.776 40 0 HFABLO CCS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408701098 557720947 /nfs/dbraw/zinc/72/09/47/557720947.db2.gz RHPKGPWUSCNFNH-RMKNXTFCSA-N 1 2 413.543 2.919 40 0 HFABLO COC(=O)c1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408704359 557729675 /nfs/dbraw/zinc/72/96/75/557729675.db2.gz MLSVVXPSHDZEIL-LJQANCHMSA-N 1 2 419.441 2.654 40 0 HFABLO CCOc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000007266005 557738407 /nfs/dbraw/zinc/73/84/07/557738407.db2.gz CEQLLWKRXYDBLR-LJQANCHMSA-N 1 2 410.470 2.793 40 0 HFABLO CCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1 ZINC000007266005 557738409 /nfs/dbraw/zinc/73/84/09/557738409.db2.gz CEQLLWKRXYDBLR-LJQANCHMSA-N 1 2 410.470 2.793 40 0 HFABLO O=C(c1cc([C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759330 558275943 /nfs/dbraw/zinc/27/59/43/558275943.db2.gz HXWHTTPLJFNAAF-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759330 558275945 /nfs/dbraw/zinc/27/59/45/558275945.db2.gz HXWHTTPLJFNAAF-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO Cc1nc(NC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)[nH]c(=O)c1C ZINC000012113674 558327114 /nfs/dbraw/zinc/32/71/14/558327114.db2.gz ZSFVVAWGFBPNHU-UHFFFAOYSA-N 1 2 423.439 2.921 40 0 HFABLO O=C1c2cccc3c(Br)ccc(c32)C(=O)N1CCC[NH+]1CCOCC1 ZINC000031723540 558752187 /nfs/dbraw/zinc/75/21/87/558752187.db2.gz WOHSHEHBDJEWTN-UHFFFAOYSA-N 1 2 403.276 2.921 40 0 HFABLO COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)C[C@@H]1[NH+](C)C ZINC000031852390 558752897 /nfs/dbraw/zinc/75/28/97/558752897.db2.gz RTFMKOOQVKWDHF-GOSISDBHSA-N 1 2 424.453 2.839 40 0 HFABLO COc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)cc1 ZINC000019079044 558838669 /nfs/dbraw/zinc/83/86/69/558838669.db2.gz HTBTWWSIZPPCPF-YKSBVNFPSA-N 1 2 423.557 2.650 40 0 HFABLO CC(C)Cc1cc(C(=O)N2CCN([C@H](c3[nH+]ccn3C)c3ccccc3)CC2)n(C)n1 ZINC000019447443 558886438 /nfs/dbraw/zinc/88/64/38/558886438.db2.gz QRCNFBIJDNDTLD-QFIPXVFZSA-N 1 2 420.561 2.900 40 0 HFABLO CC(C)OCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)c3cnccc3n2)CC1 ZINC000019450448 558888878 /nfs/dbraw/zinc/88/88/78/558888878.db2.gz AUIXXARPXIHUEK-UHFFFAOYSA-N 1 2 405.502 2.875 40 0 HFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589700 558889292 /nfs/dbraw/zinc/88/92/92/558889292.db2.gz ZBIREGUAHQSUIX-IBGZPJMESA-N 1 2 410.522 2.514 40 0 HFABLO O=C1c2ccccc2C(=O)N1CCCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260623 558896541 /nfs/dbraw/zinc/89/65/41/558896541.db2.gz AKZPETGBDLAFNR-UHFFFAOYSA-N 1 2 424.530 2.791 40 0 HFABLO COc1ccc(-n2nnc(C)c2C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000019554671 558917705 /nfs/dbraw/zinc/91/77/05/558917705.db2.gz CGBXXGMNXAELAR-UHFFFAOYSA-N 1 2 407.474 2.669 40 0 HFABLO COc1ccc(CC(=O)N2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1C ZINC000019571179 558929865 /nfs/dbraw/zinc/92/98/65/558929865.db2.gz JDVYSNOSQMSOQI-UHFFFAOYSA-N 1 2 419.529 2.686 40 0 HFABLO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccsc1)C2 ZINC000019593168 558943986 /nfs/dbraw/zinc/94/39/86/558943986.db2.gz AFKPOZLQVQAGIE-GOSISDBHSA-N 1 2 416.547 2.892 40 0 HFABLO COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccsc1)C2 ZINC000019593168 558943987 /nfs/dbraw/zinc/94/39/87/558943987.db2.gz AFKPOZLQVQAGIE-GOSISDBHSA-N 1 2 416.547 2.892 40 0 HFABLO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361476 558955953 /nfs/dbraw/zinc/95/59/53/558955953.db2.gz QLIWVQREZXTBHK-GOSISDBHSA-N 1 2 408.510 2.876 40 0 HFABLO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361476 558955954 /nfs/dbraw/zinc/95/59/54/558955954.db2.gz QLIWVQREZXTBHK-GOSISDBHSA-N 1 2 408.510 2.876 40 0 HFABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377593 558966699 /nfs/dbraw/zinc/96/66/99/558966699.db2.gz GWGYAXKQXDKABF-MRXNPFEDSA-N 1 2 419.489 2.837 40 0 HFABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3ccnc(Nc4cncnc4)n3)C2)cc1 ZINC000072377593 558966701 /nfs/dbraw/zinc/96/67/01/558966701.db2.gz GWGYAXKQXDKABF-MRXNPFEDSA-N 1 2 419.489 2.837 40 0 HFABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 ZINC000072379240 558967986 /nfs/dbraw/zinc/96/79/86/558967986.db2.gz MMCGPBKEHORUPA-INIZCTEOSA-N 1 2 400.508 2.650 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710602 558972889 /nfs/dbraw/zinc/97/28/89/558972889.db2.gz SFRNHFFVSBWAIV-GOSISDBHSA-N 1 2 423.561 2.854 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710602 558972890 /nfs/dbraw/zinc/97/28/90/558972890.db2.gz SFRNHFFVSBWAIV-GOSISDBHSA-N 1 2 423.561 2.854 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000072399132 558976445 /nfs/dbraw/zinc/97/64/45/558976445.db2.gz NXFGXNINQRZKCK-KNBMTAEXSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5C[C@@H]5C)C4)nc3C2)cc1 ZINC000072399132 558976447 /nfs/dbraw/zinc/97/64/47/558976447.db2.gz NXFGXNINQRZKCK-KNBMTAEXSA-N 1 2 422.529 2.721 40 0 HFABLO O=C(NCCc1cccs1)[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096051 559023376 /nfs/dbraw/zinc/02/33/76/559023376.db2.gz PACSQSNCDXFSNY-HXUWFJFHSA-N 1 2 419.510 2.982 40 0 HFABLO Cn1c[nH+]c([C@@H]2C[C@@]3(CN2C(=O)Cc2ccccc2)CCCN(CC2CC2)C3=O)c1 ZINC000585106500 559028916 /nfs/dbraw/zinc/02/89/16/559028916.db2.gz YRDCKSPTZLPOMF-XUZZJYLKSA-N 1 2 406.530 2.955 40 0 HFABLO Cn1c[nH+]c2c1[C@@H](C(=O)N1CCN(c3ccccc3)CC1)N(Cc1ccccc1)CC2 ZINC000096147175 559098259 /nfs/dbraw/zinc/09/82/59/559098259.db2.gz XJMBESXGZXEDKH-DEOSSOPVSA-N 1 2 415.541 2.868 40 0 HFABLO Cn1cnc2c1[C@@H](C(=O)N1CCN(c3ccccc3)CC1)[N@H+](Cc1ccccc1)CC2 ZINC000096147175 559098260 /nfs/dbraw/zinc/09/82/60/559098260.db2.gz XJMBESXGZXEDKH-DEOSSOPVSA-N 1 2 415.541 2.868 40 0 HFABLO Cn1cnc2c1[C@@H](C(=O)N1CCN(c3ccccc3)CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000096147175 559098261 /nfs/dbraw/zinc/09/82/61/559098261.db2.gz XJMBESXGZXEDKH-DEOSSOPVSA-N 1 2 415.541 2.868 40 0 HFABLO CCc1ccc(NC(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254921 559105969 /nfs/dbraw/zinc/10/59/69/559105969.db2.gz CSOZJCZNGUBIOV-UHFFFAOYSA-N 1 2 424.549 2.574 40 0 HFABLO CCOc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332053 559149911 /nfs/dbraw/zinc/14/99/11/559149911.db2.gz UKUBCHMZNQUALJ-SFHVURJKSA-N 1 2 410.470 2.793 40 0 HFABLO CCOc1ccccc1N1C(=O)C[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332053 559149913 /nfs/dbraw/zinc/14/99/13/559149913.db2.gz UKUBCHMZNQUALJ-SFHVURJKSA-N 1 2 410.470 2.793 40 0 HFABLO Cc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000113959074 559183521 /nfs/dbraw/zinc/18/35/21/559183521.db2.gz GIVODNDGPCVVTE-SFHVURJKSA-N 1 2 415.559 2.731 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889109 560542317 /nfs/dbraw/zinc/54/23/17/560542317.db2.gz UXRAAXMIBDEZGO-RXVVDRJESA-N 1 2 422.533 2.823 40 0 HFABLO Cc1cc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893962 560543608 /nfs/dbraw/zinc/54/36/08/560543608.db2.gz QKKJOKVFUNTDQD-RXVVDRJESA-N 1 2 422.533 2.886 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[NH+]1CCCCC1)OCO3 ZINC000000912941 560546410 /nfs/dbraw/zinc/54/64/10/560546410.db2.gz GRNRNYARUXUJQS-HXUWFJFHSA-N 1 2 422.489 2.934 40 0 HFABLO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000004399652 560606561 /nfs/dbraw/zinc/60/65/61/560606561.db2.gz OEANPIFWBBTVJJ-UHFFFAOYSA-N 1 2 409.486 2.615 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012833907 560788710 /nfs/dbraw/zinc/78/87/10/560788710.db2.gz CRTZILDQCPWYLJ-JLTOFOAXSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012833907 560788712 /nfs/dbraw/zinc/78/87/12/560788712.db2.gz CRTZILDQCPWYLJ-JLTOFOAXSA-N 1 2 410.522 2.599 40 0 HFABLO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000019973634 560877868 /nfs/dbraw/zinc/87/78/68/560877868.db2.gz SGNUTIGGGCXXCJ-GOSISDBHSA-N 1 2 419.319 2.647 40 0 HFABLO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670531 568494768 /nfs/dbraw/zinc/49/47/68/568494768.db2.gz WORUOBPOPYDIRD-UXHICEINSA-N 1 2 402.518 2.901 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)N1CCCc2ccccc21 ZINC000220009650 568501214 /nfs/dbraw/zinc/50/12/14/568501214.db2.gz OJNWEZXOYWAFGD-UHFFFAOYSA-N 1 2 413.543 2.524 40 0 HFABLO CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223136340 568539076 /nfs/dbraw/zinc/53/90/76/568539076.db2.gz DGMHQFSUJGIAIX-RTWAWAEBSA-N 1 2 413.591 2.825 40 0 HFABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C ZINC000223179399 568540244 /nfs/dbraw/zinc/54/02/44/568540244.db2.gz GWHJSWHBXHMEFA-NHCUHLMSSA-N 1 2 413.591 2.732 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257204827 568777523 /nfs/dbraw/zinc/77/75/23/568777523.db2.gz AWLKVQKLWOMODE-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257204827 568777525 /nfs/dbraw/zinc/77/75/25/568777525.db2.gz AWLKVQKLWOMODE-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO Cc1ccc(NC(=O)C[NH+]2CCC3(CN(S(C)(=O)=O)C(C)(C)C3)CC2)cc1F ZINC000257263706 568793906 /nfs/dbraw/zinc/79/39/06/568793906.db2.gz LRCIDBYBPCKELX-UHFFFAOYSA-N 1 2 411.543 2.599 40 0 HFABLO COc1ccccc1OCC(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257274480 568797012 /nfs/dbraw/zinc/79/70/12/568797012.db2.gz NLFRRZRUFRIZJY-INIZCTEOSA-N 1 2 405.458 2.524 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@H+](Cc1ccc(C)cc1OC)C2 ZINC000257328664 568812594 /nfs/dbraw/zinc/81/25/94/568812594.db2.gz XGQDXKPYFNBTPG-GOSISDBHSA-N 1 2 409.534 2.729 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1CC[N@@H+](Cc1ccc(C)cc1OC)C2 ZINC000257328664 568812596 /nfs/dbraw/zinc/81/25/96/568812596.db2.gz XGQDXKPYFNBTPG-GOSISDBHSA-N 1 2 409.534 2.729 40 0 HFABLO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c(OCC(=O)[O-])c1 ZINC000257340130 568815951 /nfs/dbraw/zinc/81/59/51/568815951.db2.gz ZERLWDNTNAKWKB-OALUTQOASA-N 1 2 401.507 2.842 40 0 HFABLO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)c(OCC(=O)[O-])c1 ZINC000257340130 568815952 /nfs/dbraw/zinc/81/59/52/568815952.db2.gz ZERLWDNTNAKWKB-OALUTQOASA-N 1 2 401.507 2.842 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257341991 568816598 /nfs/dbraw/zinc/81/65/98/568816598.db2.gz ZMQPRLFBZAJTOL-INIZCTEOSA-N 1 2 402.502 2.684 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257341991 568816600 /nfs/dbraw/zinc/81/66/00/568816600.db2.gz ZMQPRLFBZAJTOL-INIZCTEOSA-N 1 2 402.502 2.684 40 0 HFABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128171 568890974 /nfs/dbraw/zinc/89/09/74/568890974.db2.gz GSZORAHBSQTSHS-MOPGFXCFSA-N 1 2 409.515 2.738 40 0 HFABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128171 568890975 /nfs/dbraw/zinc/89/09/75/568890975.db2.gz GSZORAHBSQTSHS-MOPGFXCFSA-N 1 2 409.515 2.738 40 0 HFABLO CCn1cc(C[NH+]2CCN(c3nccn4c(-c5cccc(OC)c5)cnc34)CC2)cn1 ZINC000306130324 568892698 /nfs/dbraw/zinc/89/26/98/568892698.db2.gz JCNLWYICCWVMQJ-UHFFFAOYSA-N 1 2 417.517 2.944 40 0 HFABLO COc1cccc(CN2C[C@@]3(F)C[N@H+](Cc4ccc5c[nH]nc5c4)C[C@@]3(F)C2=O)c1 ZINC000306143401 568904948 /nfs/dbraw/zinc/90/49/48/568904948.db2.gz YBNDFMADLLEUPN-FCHUYYIVSA-N 1 2 412.440 2.846 40 0 HFABLO COc1cccc(CN2C[C@@]3(F)C[N@@H+](Cc4ccc5c[nH]nc5c4)C[C@@]3(F)C2=O)c1 ZINC000306143401 568904949 /nfs/dbraw/zinc/90/49/49/568904949.db2.gz YBNDFMADLLEUPN-FCHUYYIVSA-N 1 2 412.440 2.846 40 0 HFABLO COc1ccccc1[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020139572 569326901 /nfs/dbraw/zinc/32/69/01/569326901.db2.gz JGYZDKDCKPRYSN-NRFANRHFSA-N 1 2 421.549 2.739 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261364279 569413772 /nfs/dbraw/zinc/41/37/72/569413772.db2.gz KKVSFIPYXZPTOR-LJQANCHMSA-O 1 2 409.447 2.501 40 0 HFABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c1 ZINC000329003352 571306858 /nfs/dbraw/zinc/30/68/58/571306858.db2.gz KLLYZBVJBLYLNI-KRWDZBQOSA-N 1 2 400.479 3.322 40 0 HFABLO Cc1ccc2nc3n(c2c1)[C@@H](C[NH+](Cc1cnn(C)c1)Cc1cnn(C)c1)COC3 ZINC000096112409 291227141 /nfs/dbraw/zinc/22/71/41/291227141.db2.gz YUWKRNVNNWEDDI-IBGZPJMESA-N 1 2 405.506 2.585 40 0 biogenic,in-vitro HFABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000009870618 132343775 /nfs/dbraw/zinc/34/37/75/132343775.db2.gz ZWWDUNYEXHFMBT-GOSISDBHSA-N 1 2 419.403 2.881 40 0 HFABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000408554237 557443290 /nfs/dbraw/zinc/44/32/90/557443290.db2.gz CNAARLVKXVSBSA-IBGZPJMESA-N 1 2 407.430 2.581 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847566 557606053 /nfs/dbraw/zinc/60/60/53/557606053.db2.gz ACVKCECFTPOWDW-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847566 557606056 /nfs/dbraw/zinc/60/60/56/557606056.db2.gz ACVKCECFTPOWDW-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3cc(C(=O)NC4CCCC4)ccc3=O)ccc21 ZINC000019746391 558266522 /nfs/dbraw/zinc/26/65/22/558266522.db2.gz RWSGVIVMWGOMKW-UHFFFAOYSA-N 1 2 421.501 2.837 40 0 HFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@@H]1c1ccccc1OCC ZINC000020801744 558415519 /nfs/dbraw/zinc/41/55/19/558415519.db2.gz UTNCZXYGWCPGBY-NHCUHLMSSA-N 1 2 421.497 2.850 40 0 HFABLO CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000014906019 558678903 /nfs/dbraw/zinc/67/89/03/558678903.db2.gz AIUCODMKVBJFLA-UHFFFAOYSA-N 1 2 401.532 2.998 40 0 HFABLO O=C1C[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(OC(F)F)cc1 ZINC000017877443 558828410 /nfs/dbraw/zinc/82/84/10/558828410.db2.gz ZWWDUNYEXHFMBT-SFHVURJKSA-N 1 2 419.403 2.881 40 0 HFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019496426 558895545 /nfs/dbraw/zinc/89/55/45/558895545.db2.gz MCHXGBJXYXQGEI-QGZVFWFLSA-N 1 2 404.518 2.893 40 0 HFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019496426 558895546 /nfs/dbraw/zinc/89/55/46/558895546.db2.gz MCHXGBJXYXQGEI-QGZVFWFLSA-N 1 2 404.518 2.893 40 0 HFABLO CCc1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cn1 ZINC000019523377 558904756 /nfs/dbraw/zinc/90/47/56/558904756.db2.gz SOZDEZCGQXFZGC-QGZVFWFLSA-N 1 2 420.517 2.910 40 0 HFABLO CCc1ncc(C[N@H+]2CCC[C@@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cn1 ZINC000019523377 558904757 /nfs/dbraw/zinc/90/47/57/558904757.db2.gz SOZDEZCGQXFZGC-QGZVFWFLSA-N 1 2 420.517 2.910 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ccccc4n2)C3)C[C@@H](C)O1 ZINC000072335583 558936542 /nfs/dbraw/zinc/93/65/42/558936542.db2.gz DIPZTJWETZQAMJ-HZPDHXFCSA-N 1 2 405.502 2.902 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ccccc4n2)C3)C[C@@H](C)O1 ZINC000072335583 558936546 /nfs/dbraw/zinc/93/65/46/558936546.db2.gz DIPZTJWETZQAMJ-HZPDHXFCSA-N 1 2 405.502 2.902 40 0 HFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2coc4ccccc4c2=O)C3)CC1 ZINC000072335645 558936877 /nfs/dbraw/zinc/93/68/77/558936877.db2.gz FSMGQDVLAVWBMO-UHFFFAOYSA-N 1 2 406.486 2.671 40 0 HFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2coc4ccccc4c2=O)C3)CC1 ZINC000072335645 558936879 /nfs/dbraw/zinc/93/68/79/558936879.db2.gz FSMGQDVLAVWBMO-UHFFFAOYSA-N 1 2 406.486 2.671 40 0 HFABLO CC(C)NC(=O)C[NH+]1CCN(c2ncc(-c3cccs3)c(-c3cccnc3)n2)CC1 ZINC000072396548 558975411 /nfs/dbraw/zinc/97/54/11/558975411.db2.gz DDYAOEPANPXTBC-UHFFFAOYSA-N 1 2 422.558 2.914 40 0 HFABLO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)c12 ZINC000019716312 558978181 /nfs/dbraw/zinc/97/81/81/558978181.db2.gz DNOVOMQIQSHAEF-HXUWFJFHSA-N 1 2 407.518 2.697 40 0 HFABLO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104995 559027542 /nfs/dbraw/zinc/02/75/42/559027542.db2.gz XPDRCVZWNUXDOB-NRFANRHFSA-N 1 2 405.445 2.821 40 0 HFABLO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104995 559027543 /nfs/dbraw/zinc/02/75/43/559027543.db2.gz XPDRCVZWNUXDOB-NRFANRHFSA-N 1 2 405.445 2.821 40 0 HFABLO Cc1cnc(CNC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2Cc2ccccc2)cn1 ZINC000096147217 559098253 /nfs/dbraw/zinc/09/82/53/559098253.db2.gz SHYGSRUOBXNHNM-JOCHJYFZSA-N 1 2 404.518 2.978 40 0 HFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)NC1CCCCC1)CCC2 ZINC000096251284 559105390 /nfs/dbraw/zinc/10/53/90/559105390.db2.gz KKXRAJZCQZSXSN-MBSDFSHPSA-N 1 2 413.566 2.731 40 0 HFABLO Cc1cc(C)nc(Nc2cc(C[C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)n1 ZINC000585291065 559123624 /nfs/dbraw/zinc/12/36/24/559123624.db2.gz JCMUMBCERYRVOO-FUTAKVPZSA-N 1 2 418.505 2.845 40 0 HFABLO CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000113959078 559183561 /nfs/dbraw/zinc/18/35/61/559183561.db2.gz QCLHIAMCADGSQV-FQEVSTJZSA-N 1 2 401.532 2.504 40 0 HFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)[NH+]1CCCC1 ZINC000000913334 560546321 /nfs/dbraw/zinc/54/63/21/560546321.db2.gz REFRDGMZFLATFO-IBGZPJMESA-N 1 2 424.505 2.616 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012635510 560783209 /nfs/dbraw/zinc/78/32/09/560783209.db2.gz TXXMQEGAHWSIIN-KCXPTXFHSA-N 1 2 412.511 2.558 40 0 HFABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)c1C ZINC000014155570 560840139 /nfs/dbraw/zinc/84/01/39/560840139.db2.gz HNGTXVGYMBBKDK-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO O[C@H](COc1ccccc1Cl)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022874218 560891149 /nfs/dbraw/zinc/89/11/49/560891149.db2.gz VTAIZNMVHLWARG-KRWDZBQOSA-N 1 2 404.894 2.626 40 0 HFABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c12 ZINC000057589689 568492889 /nfs/dbraw/zinc/49/28/89/568492889.db2.gz OCRGVOSNICBGSD-OAQYLSRUSA-N 1 2 422.533 2.874 40 0 HFABLO CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223350508 568546079 /nfs/dbraw/zinc/54/60/79/568546079.db2.gz FOJQVTANJPYYMQ-HSZRJFAPSA-N 1 2 423.557 2.861 40 0 HFABLO CN(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1cccs1 ZINC000224185002 568572936 /nfs/dbraw/zinc/57/29/36/568572936.db2.gz KMISNQSSHUVAMK-UHFFFAOYSA-N 1 2 404.517 2.590 40 0 HFABLO O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCC[NH+]1CCOCC1 ZINC000225340943 568630660 /nfs/dbraw/zinc/63/06/60/568630660.db2.gz JKWYVNOSCSWHCQ-UHFFFAOYSA-N 1 2 408.527 2.863 40 0 HFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@]12CCCO2 ZINC000257216869 568780986 /nfs/dbraw/zinc/78/09/86/568780986.db2.gz CWLJSUCXPSAXDG-YLJYHZDGSA-N 1 2 405.495 2.691 40 0 HFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@]12CCCO2 ZINC000257216869 568780987 /nfs/dbraw/zinc/78/09/87/568780987.db2.gz CWLJSUCXPSAXDG-YLJYHZDGSA-N 1 2 405.495 2.691 40 0 HFABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC3(CN(S(C)(=O)=O)C(C)(C)C3)CC2)c1 ZINC000257311660 568807722 /nfs/dbraw/zinc/80/77/22/568807722.db2.gz UKNILSZXZRYGFJ-UHFFFAOYSA-N 1 2 411.543 2.599 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCC[C@]3(C[N@H+](Cc4cccnc4)CCO3)CC2)cc1 ZINC000306123948 568886966 /nfs/dbraw/zinc/88/69/66/568886966.db2.gz BBEFFULGKRQKPZ-JOCHJYFZSA-N 1 2 415.559 2.836 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCC[C@]3(C[N@@H+](Cc4cccnc4)CCO3)CC2)cc1 ZINC000306123948 568886967 /nfs/dbraw/zinc/88/69/67/568886967.db2.gz BBEFFULGKRQKPZ-JOCHJYFZSA-N 1 2 415.559 2.836 40 0 HFABLO Cn1[nH]c2c(c1=O)CN(C(=O)c1ccco1)CC21CC[NH+](Cc2ccccc2)CC1 ZINC000306126848 568889806 /nfs/dbraw/zinc/88/98/06/568889806.db2.gz FGXHKEJWHXCKIB-UHFFFAOYSA-N 1 2 406.486 2.909 40 0 HFABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128174 568890904 /nfs/dbraw/zinc/89/09/04/568890904.db2.gz GSZORAHBSQTSHS-RTBURBONSA-N 1 2 409.515 2.738 40 0 HFABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128174 568890907 /nfs/dbraw/zinc/89/09/07/568890907.db2.gz GSZORAHBSQTSHS-RTBURBONSA-N 1 2 409.515 2.738 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccccn3)C[C@@H]1S2(=O)=O ZINC000306134825 568896675 /nfs/dbraw/zinc/89/66/75/568896675.db2.gz NZCJYLPSARSGMI-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccn3)C[C@@H]1S2(=O)=O ZINC000306134825 568896676 /nfs/dbraw/zinc/89/66/76/568896676.db2.gz NZCJYLPSARSGMI-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO Cc1cc(C)cc(-c2c[nH+]c3n2C2(CC3)CCC(NC(=O)CS(C)(=O)=O)CC2)c1 ZINC000306135438 568897203 /nfs/dbraw/zinc/89/72/03/568897203.db2.gz OQSMXGVMTHJFTM-UHFFFAOYSA-N 1 2 415.559 2.912 40 0 HFABLO CCn1cc(C[N@@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137937 568899905 /nfs/dbraw/zinc/89/99/05/568899905.db2.gz RKINUKBXUDXSCL-UYAOXDASSA-N 1 2 412.490 2.859 40 0 HFABLO CCn1cc(C[N@H+]2C[C@@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137937 568899908 /nfs/dbraw/zinc/89/99/08/568899908.db2.gz RKINUKBXUDXSCL-UYAOXDASSA-N 1 2 412.490 2.859 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccncc5)CCN4C)nnn3c2)cn1 ZINC000306140844 568902490 /nfs/dbraw/zinc/90/24/90/568902490.db2.gz VFGVLYJGFWKEMA-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccncc5)CCN4C)nnn3c2)cn1 ZINC000306140844 568902492 /nfs/dbraw/zinc/90/24/92/568902492.db2.gz VFGVLYJGFWKEMA-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306141357 568903137 /nfs/dbraw/zinc/90/31/37/568903137.db2.gz VSZJKGBAWHKZKO-UNMCSNQZSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cc1 ZINC000306141357 568903138 /nfs/dbraw/zinc/90/31/38/568903138.db2.gz VSZJKGBAWHKZKO-UNMCSNQZSA-N 1 2 409.511 2.851 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329030355 568973749 /nfs/dbraw/zinc/97/37/49/568973749.db2.gz QDKQAMLLRSWBPI-LBPRGKRZSA-N 1 2 408.380 2.884 40 0 HFABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@H+](C)C2)cc1 ZINC000020464231 575366487 /nfs/dbraw/zinc/36/64/87/575366487.db2.gz OXRUQAYZBWVTDA-ICSRJNTNSA-N 1 2 406.486 2.773 40 0 biogenic,in-vitro HFABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@@H+](C)C2)cc1 ZINC000020464231 575366490 /nfs/dbraw/zinc/36/64/90/575366490.db2.gz OXRUQAYZBWVTDA-ICSRJNTNSA-N 1 2 406.486 2.773 40 0 biogenic,in-vitro HFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(CO)o1 ZINC000015707044 291221150 /nfs/dbraw/zinc/22/11/50/291221150.db2.gz NFFANWLCBCZWDU-IBGZPJMESA-N 1 2 415.877 2.770 40 0 biogenic,in-vitro HFABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269138 291225179 /nfs/dbraw/zinc/22/51/79/291225179.db2.gz DHCIXQHKVCHYPW-LJQANCHMSA-N 1 2 409.486 2.588 40 0 biogenic,in-vitro HFABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)CCN3C2=O)cc1 ZINC000096269138 291225180 /nfs/dbraw/zinc/22/51/80/291225180.db2.gz DHCIXQHKVCHYPW-LJQANCHMSA-N 1 2 409.486 2.588 40 0 biogenic,in-vitro HFABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1NC(=O)c1ccccc1 ZINC000408557678 557454389 /nfs/dbraw/zinc/45/43/89/557454389.db2.gz HGTDTMRDRWXCJB-UHFFFAOYSA-N 1 2 417.531 2.664 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000004212409 557529199 /nfs/dbraw/zinc/52/91/99/557529199.db2.gz HDRZTRWTERZYDM-FQEVSTJZSA-N 1 2 410.522 2.743 40 0 HFABLO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000408629653 557572388 /nfs/dbraw/zinc/57/23/88/557572388.db2.gz FSBKUIYVXKSLMB-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408680534 557686477 /nfs/dbraw/zinc/68/64/77/557686477.db2.gz ZTAKCWUPNYTFND-UHFFFAOYSA-N 1 2 421.497 2.636 40 0 HFABLO COc1cccc(CCNc2nc([C@@H]3CCCN(C(C)=O)C3)nc3c2C[N@H+](C)CC3)c1 ZINC000019752407 558272076 /nfs/dbraw/zinc/27/20/76/558272076.db2.gz PEHRDZGALPEAPK-LJQANCHMSA-N 1 2 423.561 2.854 40 0 HFABLO COc1cccc(CCNc2nc([C@@H]3CCCN(C(C)=O)C3)nc3c2C[N@@H+](C)CC3)c1 ZINC000019752407 558272078 /nfs/dbraw/zinc/27/20/78/558272078.db2.gz PEHRDZGALPEAPK-LJQANCHMSA-N 1 2 423.561 2.854 40 0 HFABLO O=C(c1cc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759334 558275879 /nfs/dbraw/zinc/27/58/79/558275879.db2.gz BVESCVRTNQMIAA-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759334 558275882 /nfs/dbraw/zinc/27/58/82/558275882.db2.gz BVESCVRTNQMIAA-QHCPKHFHSA-N 1 2 418.497 2.676 40 0 HFABLO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019933349 558311073 /nfs/dbraw/zinc/31/10/73/558311073.db2.gz QFORPXMMYSOPRJ-FQEVSTJZSA-N 1 2 412.486 2.926 40 0 HFABLO CCc1cc(=O)[nH]c(NC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)n1 ZINC000012113699 558327162 /nfs/dbraw/zinc/32/71/62/558327162.db2.gz CFMSCXYKNFVWQY-UHFFFAOYSA-N 1 2 423.439 2.866 40 0 HFABLO C[C@H](CCc1ccccc1)NC(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145850 558337172 /nfs/dbraw/zinc/33/71/72/558337172.db2.gz OSHOWEBYMHEWPB-GOSISDBHSA-N 1 2 407.514 2.738 40 0 HFABLO Cc1ccc(N([C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000030865618 558742482 /nfs/dbraw/zinc/74/24/82/558742482.db2.gz MSNRFBAJLDQKSX-KRWDZBQOSA-N 1 2 412.515 2.652 40 0 HFABLO CC(C)Oc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000049226589 558848490 /nfs/dbraw/zinc/84/84/90/558848490.db2.gz GDYCFQVCYBPZDN-UHFFFAOYSA-N 1 2 417.531 2.662 40 0 HFABLO COc1ccccc1OCCC[NH+]1CCN(C(=O)c2cn3ccc(C)cc3n2)CC1 ZINC000019238178 558857145 /nfs/dbraw/zinc/85/71/45/558857145.db2.gz IZUPLIAWVZXRKO-UHFFFAOYSA-N 1 2 408.502 2.878 40 0 HFABLO COc1ccccc1N1C[C@H](NC(=O)[C@@H](C)Cn2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286734 558860537 /nfs/dbraw/zinc/86/05/37/558860537.db2.gz GWOAQSDJCXGQAQ-DOTOQJQBSA-N 1 2 406.486 2.911 40 0 HFABLO O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019292124 558864329 /nfs/dbraw/zinc/86/43/29/558864329.db2.gz VLWULZGWXQYRDL-MRXNPFEDSA-N 1 2 409.534 2.852 40 0 HFABLO O=C(C1CC1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292124 558864330 /nfs/dbraw/zinc/86/43/30/558864330.db2.gz VLWULZGWXQYRDL-MRXNPFEDSA-N 1 2 409.534 2.852 40 0 HFABLO O=C(NCC[NH+]1CCN(C(=O)Nc2ccccc2F)CC1)Nc1ccccc1F ZINC000055155479 558874487 /nfs/dbraw/zinc/87/44/87/558874487.db2.gz AUFKIJFHGIOGMT-UHFFFAOYSA-N 1 2 403.433 2.936 40 0 HFABLO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000055985503 558884676 /nfs/dbraw/zinc/88/46/76/558884676.db2.gz YJDCWHWSXWSMAX-UHFFFAOYSA-N 1 2 404.532 2.623 40 0 HFABLO COC(=O)c1ccc(C[N@@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1 ZINC000019453691 558891011 /nfs/dbraw/zinc/89/10/11/558891011.db2.gz VVQJPWPSYHMYSH-UHFFFAOYSA-N 1 2 410.518 2.782 40 0 HFABLO COC(=O)c1ccc(C[N@H+]2CCc3c(nc(C(C)C)nc3N3CCOCC3)C2)cc1 ZINC000019453691 558891014 /nfs/dbraw/zinc/89/10/14/558891014.db2.gz VVQJPWPSYHMYSH-UHFFFAOYSA-N 1 2 410.518 2.782 40 0 HFABLO CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1NC[C@H](O)C[NH+]1CCOCC1 ZINC000019521635 558902839 /nfs/dbraw/zinc/90/28/39/558902839.db2.gz QWZAMCWAPRHEGO-KRWDZBQOSA-N 1 2 413.522 2.582 40 0 HFABLO CCn1cc(C[NH+]2CCN(C(=O)c3cc(-c4cccc(OC)c4)n[nH]3)CC2)c(C)n1 ZINC000019524574 558905722 /nfs/dbraw/zinc/90/57/22/558905722.db2.gz NWNDIJHCAGSZNX-UHFFFAOYSA-N 1 2 408.506 2.568 40 0 HFABLO COc1cccc([C@@H](NS(=O)(=O)c2cn(CC(C)C)nc2C)c2[nH+]ccn2C)c1 ZINC000019584250 558938261 /nfs/dbraw/zinc/93/82/61/558938261.db2.gz JDIYSINJAATKOQ-LJQANCHMSA-N 1 2 417.535 2.658 40 0 HFABLO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019591923 558942864 /nfs/dbraw/zinc/94/28/64/558942864.db2.gz IXOKQDHOGRYNQG-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019591923 558942866 /nfs/dbraw/zinc/94/28/66/558942866.db2.gz IXOKQDHOGRYNQG-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378750 558967556 /nfs/dbraw/zinc/96/75/56/558967556.db2.gz QBKQSHFCCZFJJV-QGZVFWFLSA-N 1 2 401.467 2.890 40 0 HFABLO CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710880 558973257 /nfs/dbraw/zinc/97/32/57/558973257.db2.gz HZEFHFJSNCTHIJ-FQEVSTJZSA-N 1 2 409.534 2.811 40 0 HFABLO CNc1nc([C@@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710880 558973260 /nfs/dbraw/zinc/97/32/60/558973260.db2.gz HZEFHFJSNCTHIJ-FQEVSTJZSA-N 1 2 409.534 2.811 40 0 HFABLO COc1ccc([C@@H]2CCCN2C(=O)c2cccc(-n3nnnc3C[NH+](C)C)c2)cc1 ZINC000019717751 558980687 /nfs/dbraw/zinc/98/06/87/558980687.db2.gz BQKFHTMNPCXLMX-FQEVSTJZSA-N 1 2 406.490 2.710 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn21 ZINC000096155231 559099486 /nfs/dbraw/zinc/09/94/86/559099486.db2.gz MLABDXRZTPPFSX-UHFFFAOYSA-N 1 2 415.497 2.854 40 0 HFABLO CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1[nH+]c2ccccc2n1C ZINC000072320887 560077807 /nfs/dbraw/zinc/07/78/07/560077807.db2.gz RMJAYODUFNBZSM-FHWLQOOXSA-N 1 2 421.549 2.773 40 0 biogenic,in-vitro HFABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926174 560556889 /nfs/dbraw/zinc/55/68/89/560556889.db2.gz CBUMMQJPSICOLH-FQEVSTJZSA-N 1 2 422.533 2.947 40 0 HFABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926174 560556892 /nfs/dbraw/zinc/55/68/92/560556892.db2.gz CBUMMQJPSICOLH-FQEVSTJZSA-N 1 2 422.533 2.947 40 0 HFABLO COCCn1nnnc1C[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847443 560609398 /nfs/dbraw/zinc/60/93/98/560609398.db2.gz VBWDAALNOSTPIC-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO COCCn1nnnc1C[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 ZINC000004847443 560609399 /nfs/dbraw/zinc/60/93/99/560609399.db2.gz VBWDAALNOSTPIC-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c(OC)c1 ZINC000004909553 560618139 /nfs/dbraw/zinc/61/81/39/560618139.db2.gz UHYNUDKVFPJAOV-UHFFFAOYSA-N 1 2 411.502 2.845 40 0 HFABLO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566226 560813675 /nfs/dbraw/zinc/81/36/75/560813675.db2.gz DDRDDUOQMUYICI-JLTOFOAXSA-N 1 2 417.506 2.749 40 0 HFABLO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000013566226 560813676 /nfs/dbraw/zinc/81/36/76/560813676.db2.gz DDRDDUOQMUYICI-JLTOFOAXSA-N 1 2 417.506 2.749 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139853 560881172 /nfs/dbraw/zinc/88/11/72/560881172.db2.gz IDFKPWQEKITJIL-QGZVFWFLSA-N 1 2 400.527 2.816 40 0 HFABLO Cc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1C ZINC000216380626 568464863 /nfs/dbraw/zinc/46/48/63/568464863.db2.gz BSXALCZFOFVYHP-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO CC[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000216396746 568465056 /nfs/dbraw/zinc/46/50/56/568465056.db2.gz WRTCONQRVGUSMM-HXUWFJFHSA-N 1 2 412.515 2.733 40 0 HFABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccncc2Cl)CC[C@@]1(C)O ZINC000604383077 568489489 /nfs/dbraw/zinc/48/94/89/568489489.db2.gz FIQUYDQOPJNBFA-PCCBWWKXSA-N 1 2 403.910 2.564 40 0 biogenic,in-vitro HFABLO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccncc2Cl)CC[C@@]1(C)O ZINC000604383077 568489491 /nfs/dbraw/zinc/48/94/91/568489491.db2.gz FIQUYDQOPJNBFA-PCCBWWKXSA-N 1 2 403.910 2.564 40 0 biogenic,in-vitro HFABLO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000225290066 568627990 /nfs/dbraw/zinc/62/79/90/568627990.db2.gz BKOXPOXXZJLALW-UHFFFAOYSA-N 1 2 422.510 2.650 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)sc2c1 ZINC000257219058 568781662 /nfs/dbraw/zinc/78/16/62/568781662.db2.gz DFLQBHLAQOMUQR-PXNSSMCTSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](OC)C3)sc2c1 ZINC000257219058 568781663 /nfs/dbraw/zinc/78/16/63/568781663.db2.gz DFLQBHLAQOMUQR-PXNSSMCTSA-N 1 2 405.520 2.903 40 0 HFABLO COc1ccccc1[C@@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000257219642 568781848 /nfs/dbraw/zinc/78/18/48/568781848.db2.gz DHNGVWLRVIRYCB-NRFANRHFSA-N 1 2 421.501 2.724 40 0 HFABLO COc1ccccc1[C@H]1CN(C(C)=O)CCN1CC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000257219643 568781859 /nfs/dbraw/zinc/78/18/59/568781859.db2.gz DHNGVWLRVIRYCB-OAQYLSRUSA-N 1 2 421.501 2.724 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cnn1C ZINC000257239250 568787264 /nfs/dbraw/zinc/78/72/64/568787264.db2.gz HOONKPRBUMJXDF-OAQYLSRUSA-N 1 2 417.460 2.925 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cnn1C ZINC000257239250 568787267 /nfs/dbraw/zinc/78/72/67/568787267.db2.gz HOONKPRBUMJXDF-OAQYLSRUSA-N 1 2 417.460 2.925 40 0 HFABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257239924 568787516 /nfs/dbraw/zinc/78/75/16/568787516.db2.gz HRJSRVQHVQGLHX-UNMCSNQZSA-N 1 2 415.465 2.627 40 0 HFABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257239924 568787517 /nfs/dbraw/zinc/78/75/17/568787517.db2.gz HRJSRVQHVQGLHX-UNMCSNQZSA-N 1 2 415.465 2.627 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257300952 568804645 /nfs/dbraw/zinc/80/46/45/568804645.db2.gz RWISPHKJUWMZTF-QGZVFWFLSA-N 1 2 411.525 2.984 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257300952 568804648 /nfs/dbraw/zinc/80/46/48/568804648.db2.gz RWISPHKJUWMZTF-QGZVFWFLSA-N 1 2 411.525 2.984 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OC(C)=O ZINC000261363723 568819494 /nfs/dbraw/zinc/81/94/94/568819494.db2.gz HVLLZIVWIISXEL-FQEVSTJZSA-O 1 2 423.474 2.697 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261364457 568819500 /nfs/dbraw/zinc/81/95/00/568819500.db2.gz LQGDQIRPINTCBE-HXUWFJFHSA-O 1 2 423.474 2.891 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccn1C(C)=O ZINC000261363617 568819506 /nfs/dbraw/zinc/81/95/06/568819506.db2.gz UHLJXUHESFJJON-LJQANCHMSA-O 1 2 410.479 2.624 40 0 HFABLO COc1ccccc1C[N@@H+]1C[C@@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139709 568901671 /nfs/dbraw/zinc/90/16/71/568901671.db2.gz TYDBTNTYGVKDNL-DENIHFKCSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccccc1C[N@H+]1C[C@@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139709 568901674 /nfs/dbraw/zinc/90/16/74/568901674.db2.gz TYDBTNTYGVKDNL-DENIHFKCSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccncc3)C[C@@H]1S2(=O)=O ZINC000306142158 568903786 /nfs/dbraw/zinc/90/37/86/568903786.db2.gz WRQCDFZSJRLFIT-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1S2(=O)=O ZINC000306142158 568903787 /nfs/dbraw/zinc/90/37/87/568903787.db2.gz WRQCDFZSJRLFIT-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306142464 568904078 /nfs/dbraw/zinc/90/40/78/568904078.db2.gz WZQRSHPLTSCCTB-YLJYHZDGSA-N 1 2 401.536 2.594 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000328971656 568970734 /nfs/dbraw/zinc/97/07/34/568970734.db2.gz DRNDYBGCGTUTKH-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(Nc2ccccc2)[nH+]1 ZINC000329036651 568974005 /nfs/dbraw/zinc/97/40/05/568974005.db2.gz RKTRDQMRARYNGA-UHFFFAOYSA-N 1 2 409.515 2.993 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)n1 ZINC000019692509 569346087 /nfs/dbraw/zinc/34/60/87/569346087.db2.gz HQFLFWCBJOTLJY-QFIPXVFZSA-N 1 2 405.502 2.946 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)n1 ZINC000019692509 569346088 /nfs/dbraw/zinc/34/60/88/569346088.db2.gz HQFLFWCBJOTLJY-QFIPXVFZSA-N 1 2 405.502 2.946 40 0 HFABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@H+](C)C2)cc1 ZINC000020464235 575366531 /nfs/dbraw/zinc/36/65/31/575366531.db2.gz MEVSQCWXCYNXAF-ICSRJNTNSA-N 1 2 405.502 2.902 40 0 biogenic,in-vitro HFABLO CN(C)c1ccc(C(=O)N[C@H]2C[C@@H](c3nc(Cc4ccccc4)no3)[N@@H+](C)C2)cc1 ZINC000020464235 575366533 /nfs/dbraw/zinc/36/65/33/575366533.db2.gz MEVSQCWXCYNXAF-ICSRJNTNSA-N 1 2 405.502 2.902 40 0 biogenic,in-vitro HFABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015675006 291215761 /nfs/dbraw/zinc/21/57/61/291215761.db2.gz PJNHFTQHILDLJI-MSOLQXFVSA-N 1 2 422.441 2.732 40 0 biogenic,in-vitro HFABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)cc1 ZINC000015675006 291215762 /nfs/dbraw/zinc/21/57/62/291215762.db2.gz PJNHFTQHILDLJI-MSOLQXFVSA-N 1 2 422.441 2.732 40 0 biogenic,in-vitro HFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)c1 ZINC000035425074 291222106 /nfs/dbraw/zinc/22/21/06/291222106.db2.gz BUQZYLDDAXKICD-SFHVURJKSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)c1 ZINC000035425074 291222109 /nfs/dbraw/zinc/22/21/09/291222109.db2.gz BUQZYLDDAXKICD-SFHVURJKSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO O=C(N/C(=C\c1cccnc1)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000004575550 132279071 /nfs/dbraw/zinc/27/90/71/132279071.db2.gz DWUZEWNAPYCKPP-FXBPSFAMSA-N 1 2 413.481 2.596 40 0 HFABLO Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000408678495 557684804 /nfs/dbraw/zinc/68/48/04/557684804.db2.gz SITZDJRPKVNWAC-UHFFFAOYSA-N 1 2 405.498 2.936 40 0 HFABLO Cc1ccc(N([C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000019931500 558310287 /nfs/dbraw/zinc/31/02/87/558310287.db2.gz BYUDOLOTJPXVJM-KRWDZBQOSA-N 1 2 412.515 2.652 40 0 HFABLO Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1Cl ZINC000019974109 558317013 /nfs/dbraw/zinc/31/70/13/558317013.db2.gz FKZSONXJDPGQJE-GFCCVEGCSA-N 1 2 400.870 2.685 40 0 HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000019974105 558317074 /nfs/dbraw/zinc/31/70/74/558317074.db2.gz DCPSVDCQAGOQQW-SNVBAGLBSA-N 1 2 420.395 2.742 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150859 558340633 /nfs/dbraw/zinc/34/06/33/558340633.db2.gz OSEWGOBECXGGEX-IZZGNVEXSA-N 1 2 420.509 2.805 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020674017 558398993 /nfs/dbraw/zinc/39/89/93/558398993.db2.gz PPBZVZUCHRCIBA-CYBMUJFWSA-N 1 2 400.870 2.767 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2)CC1 ZINC000015014831 558701386 /nfs/dbraw/zinc/70/13/86/558701386.db2.gz HRCCDILXZMLERG-UHFFFAOYSA-N 1 2 411.886 2.668 40 0 HFABLO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000030866399 558742718 /nfs/dbraw/zinc/74/27/18/558742718.db2.gz WHSKJZNIBQGODD-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Cl)c1 ZINC000038756008 558814723 /nfs/dbraw/zinc/81/47/23/558814723.db2.gz LWUILMPGVWCLOD-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)on1 ZINC000019124321 558844248 /nfs/dbraw/zinc/84/42/48/558844248.db2.gz PDGZNRYCXRQXTJ-IRXDYDNUSA-N 1 2 421.501 2.832 40 0 HFABLO O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349384 558874878 /nfs/dbraw/zinc/87/48/78/558874878.db2.gz RURKWCSBQRKZPF-FQEVSTJZSA-N 1 2 410.493 2.931 40 0 HFABLO O=C(C1CCC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349384 558874879 /nfs/dbraw/zinc/87/48/79/558874879.db2.gz RURKWCSBQRKZPF-FQEVSTJZSA-N 1 2 410.493 2.931 40 0 HFABLO O=C(CC12C[C@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000019401776 558883609 /nfs/dbraw/zinc/88/36/09/558883609.db2.gz BRURZRALXHCXQW-TUUBTQOTSA-N 1 2 420.561 2.703 40 0 HFABLO CC(C)[N@@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccn5)CC4)[nH]n3c(=O)c2C1 ZINC000019448153 558887225 /nfs/dbraw/zinc/88/72/25/558887225.db2.gz NLAKCDMGUUMQPP-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO CC(C)[N@H+]1CCc2nc3cc(C4CCN(C(=O)c5ccccn5)CC4)[nH]n3c(=O)c2C1 ZINC000019448153 558887227 /nfs/dbraw/zinc/88/72/27/558887227.db2.gz NLAKCDMGUUMQPP-UHFFFAOYSA-N 1 2 420.517 2.616 40 0 HFABLO COc1cccc(-c2noc([C@H]3CN(C(=O)C[NH+]4Cc5ccccc5C4)CCO3)n2)c1 ZINC000019566758 558926274 /nfs/dbraw/zinc/92/62/74/558926274.db2.gz KKAVUZZBZFUPIM-HXUWFJFHSA-N 1 2 420.469 2.661 40 0 HFABLO Cc1cc([C@@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(C)s1 ZINC000019567866 558926986 /nfs/dbraw/zinc/92/69/86/558926986.db2.gz WBSIHRZPTCFTOF-SFHVURJKSA-N 1 2 416.515 2.683 40 0 HFABLO COc1cc2c(cc1C[N@@H+]1CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C1)OCO2 ZINC000072347362 558944526 /nfs/dbraw/zinc/94/45/26/558944526.db2.gz IRNIYXJUEGEDJQ-UHFFFAOYSA-N 1 2 412.490 2.714 40 0 HFABLO COc1cc2c(cc1C[N@H+]1CCc3c(=O)[nH]c(N4CCC(C)CC4)nc3C1)OCO2 ZINC000072347362 558944528 /nfs/dbraw/zinc/94/45/28/558944528.db2.gz IRNIYXJUEGEDJQ-UHFFFAOYSA-N 1 2 412.490 2.714 40 0 HFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1C[N@H+](C)CC2 ZINC000019710401 558972280 /nfs/dbraw/zinc/97/22/80/558972280.db2.gz IPNPXTWASIWODL-SFHVURJKSA-N 1 2 410.522 2.763 40 0 HFABLO CN(C)c1nc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1C[N@@H+](C)CC2 ZINC000019710401 558972281 /nfs/dbraw/zinc/97/22/81/558972281.db2.gz IPNPXTWASIWODL-SFHVURJKSA-N 1 2 410.522 2.763 40 0 HFABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(C(C)=O)CC4)cc3)cc2c1 ZINC000072396123 558975250 /nfs/dbraw/zinc/97/52/50/558975250.db2.gz PSRAKTNJZVFUPL-UHFFFAOYSA-N 1 2 406.486 2.817 40 0 HFABLO Cc1cc(C)nc(Nc2cc([C@@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585291344 559123778 /nfs/dbraw/zinc/12/37/78/559123778.db2.gz NVCWLPZGZNUYBN-DWTRPJMMSA-N 1 2 404.478 2.688 40 0 HFABLO CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233659 559132685 /nfs/dbraw/zinc/13/26/85/559132685.db2.gz BWBHQSRCXIVSLF-KRWDZBQOSA-N 1 2 420.517 2.504 40 0 HFABLO CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233659 559132687 /nfs/dbraw/zinc/13/26/87/559132687.db2.gz BWBHQSRCXIVSLF-KRWDZBQOSA-N 1 2 420.517 2.504 40 0 HFABLO CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](Cc2ccncc2)CC4)C1 ZINC000100233663 559132719 /nfs/dbraw/zinc/13/27/19/559132719.db2.gz BWBHQSRCXIVSLF-QGZVFWFLSA-N 1 2 420.517 2.504 40 0 HFABLO CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](Cc2ccncc2)CC4)C1 ZINC000100233663 559132721 /nfs/dbraw/zinc/13/27/21/559132721.db2.gz BWBHQSRCXIVSLF-QGZVFWFLSA-N 1 2 420.517 2.504 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000000889134 560542307 /nfs/dbraw/zinc/54/23/07/560542307.db2.gz ZCZKXOGEXVBTDF-NQIIRXRSSA-N 1 2 422.533 2.967 40 0 HFABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)cc2c1 ZINC000000893005 560543124 /nfs/dbraw/zinc/54/31/24/560543124.db2.gz RTWHAFXGIAXIEB-OAQYLSRUSA-N 1 2 416.485 2.757 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160254 560601301 /nfs/dbraw/zinc/60/13/01/560601301.db2.gz ZLZUELCOXFCZDS-YRISNDGFSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160254 560601302 /nfs/dbraw/zinc/60/13/02/560601302.db2.gz ZLZUELCOXFCZDS-YRISNDGFSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000006213985 560740359 /nfs/dbraw/zinc/74/03/59/560740359.db2.gz GVCPPOFECFIRBS-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@@H](O)C2)cc1)OCCO3 ZINC000013563072 560816167 /nfs/dbraw/zinc/81/61/67/560816167.db2.gz AGWPYAUPEISRCH-LJQANCHMSA-N 1 2 407.470 2.873 40 0 HFABLO CC(=O)N1CCN(c2ccc([NH2+]Cc3cc4cc5c(cc4[nH]c3=O)OCO5)cc2)CC1 ZINC000013563004 560816184 /nfs/dbraw/zinc/81/61/84/560816184.db2.gz VGRCWDMAVYROFB-UHFFFAOYSA-N 1 2 420.469 2.537 40 0 HFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2nc(SCc3ccc(Cl)cc3)nn21 ZINC000054670914 568424525 /nfs/dbraw/zinc/42/45/25/568424525.db2.gz SQIQLAVBIIHOTJ-UHFFFAOYSA-N 1 2 416.938 2.766 40 0 HFABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589679 568492839 /nfs/dbraw/zinc/49/28/39/568492839.db2.gz YHUUWUOGBLILHD-OAQYLSRUSA-N 1 2 422.533 2.793 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642690 568494285 /nfs/dbraw/zinc/49/42/85/568494285.db2.gz ZFNNAMHQHSNSHO-UHFFFAOYSA-N 1 2 410.522 2.713 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057642690 568494287 /nfs/dbraw/zinc/49/42/87/568494287.db2.gz ZFNNAMHQHSNSHO-UHFFFAOYSA-N 1 2 410.522 2.713 40 0 HFABLO COc1ccc(Cl)cc1S(=O)(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000223561953 568551864 /nfs/dbraw/zinc/55/18/64/568551864.db2.gz ZTCWEHQBUSRSDS-UHFFFAOYSA-N 1 2 410.923 2.659 40 0 HFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1OC ZINC000095534229 568635330 /nfs/dbraw/zinc/63/53/30/568635330.db2.gz CLQHPWIWAAAZGP-GOSISDBHSA-N 1 2 414.462 2.953 40 0 HFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccc(-c4cncnc4)n3)C1)OCCO2 ZINC000257227288 568784036 /nfs/dbraw/zinc/78/40/36/568784036.db2.gz FONGAKHMMCMTJM-QHCPKHFHSA-N 1 2 420.469 2.892 40 0 HFABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccc(-c4cncnc4)n3)C1)OCCO2 ZINC000257227288 568784039 /nfs/dbraw/zinc/78/40/39/568784039.db2.gz FONGAKHMMCMTJM-QHCPKHFHSA-N 1 2 420.469 2.892 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000257229468 568784776 /nfs/dbraw/zinc/78/47/76/568784776.db2.gz FYFYYTQYKMCQAC-LJQANCHMSA-N 1 2 416.529 2.961 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000257229468 568784777 /nfs/dbraw/zinc/78/47/77/568784777.db2.gz FYFYYTQYKMCQAC-LJQANCHMSA-N 1 2 416.529 2.961 40 0 HFABLO COc1ccc([C@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCOCC2)cc1 ZINC000016739852 569046436 /nfs/dbraw/zinc/04/64/36/569046436.db2.gz BGMFNRLZTIYNPU-JOCHJYFZSA-N 1 2 410.470 2.934 40 0 HFABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCC3)cc2c1 ZINC000057640312 569053746 /nfs/dbraw/zinc/05/37/46/569053746.db2.gz GQMXGIQOJPQVEZ-UHFFFAOYSA-N 1 2 410.522 2.577 40 0 HFABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCC3)cc2c1 ZINC000057640312 569053747 /nfs/dbraw/zinc/05/37/47/569053747.db2.gz GQMXGIQOJPQVEZ-UHFFFAOYSA-N 1 2 410.522 2.577 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693509 569346427 /nfs/dbraw/zinc/34/64/27/569346427.db2.gz TVTNVYQSMKSNQC-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2ccc(-c3ccc(C(N)=O)cc3)cn2)C1 ZINC000019693509 569346428 /nfs/dbraw/zinc/34/64/28/569346428.db2.gz TVTNVYQSMKSNQC-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO Clc1cccc(Cl)c1Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC000005255827 132304492 /nfs/dbraw/zinc/30/44/92/132304492.db2.gz OKJXCUKMCSOZPA-UHFFFAOYSA-N 1 2 411.293 2.595 40 0 HFABLO c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000032603957 526483458 /nfs/dbraw/zinc/48/34/58/526483458.db2.gz HWEHLIURXFLVAK-UHFFFAOYSA-N 1 2 417.517 2.778 40 0 HFABLO CCOc1ccc(C(=O)NC2CC[NH+](CC(=O)NCc3cccs3)CC2)cc1 ZINC000004909841 557612344 /nfs/dbraw/zinc/61/23/44/557612344.db2.gz XZHXETFVXQQFOW-UHFFFAOYSA-N 1 2 401.532 2.657 40 0 HFABLO O=C(NCCCn1cc[nH+]c1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000408703561 557728708 /nfs/dbraw/zinc/72/87/08/557728708.db2.gz SVRFGHIXBCKGNI-UHFFFAOYSA-N 1 2 424.954 2.921 40 0 HFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@H]1c1nc2c(c(C)n1)CC(=O)N2C ZINC000019739640 558260793 /nfs/dbraw/zinc/26/07/93/558260793.db2.gz SXXBZQWPJGFHRY-KRWDZBQOSA-N 1 2 418.501 2.556 40 0 HFABLO CNC(=O)c1cnc(C)nc1[C@@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)Cc1ccccc1 ZINC000019767053 558279015 /nfs/dbraw/zinc/27/90/15/558279015.db2.gz YYVKFWJJBSGUBL-FQEVSTJZSA-N 1 2 423.561 2.809 40 0 HFABLO CNC(=O)c1cnc(C)nc1[C@@H]1CCCC[N@H+]1CC(=O)NC(C)(C)Cc1ccccc1 ZINC000019767053 558279016 /nfs/dbraw/zinc/27/90/16/558279016.db2.gz YYVKFWJJBSGUBL-FQEVSTJZSA-N 1 2 423.561 2.809 40 0 HFABLO O=C(c1cnc(-c2ccccc2)[nH]c1=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019937332 558312470 /nfs/dbraw/zinc/31/24/70/558312470.db2.gz ACKDCDPLBSPJSH-JXMROGBWSA-N 1 2 400.482 2.908 40 0 HFABLO CNc1nc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(C)(C)C2 ZINC000020478166 558374747 /nfs/dbraw/zinc/37/47/47/558374747.db2.gz NVTGNQBBJCKWLF-UHFFFAOYSA-N 1 2 423.517 2.724 40 0 HFABLO O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022518453 558494342 /nfs/dbraw/zinc/49/43/42/558494342.db2.gz NLPLKJBTTWCAJZ-HXUWFJFHSA-N 1 2 423.513 2.680 40 0 HFABLO Ic1ccccc1Nc1nc2nonc2nc1-n1cc[nH+]c1 ZINC000013233767 558527452 /nfs/dbraw/zinc/52/74/52/558527452.db2.gz HRGGLCXUECOEPD-UHFFFAOYSA-N 1 2 405.159 2.547 40 0 HFABLO CCCCCOc1ccc(S(=O)(=O)N2CC[NH+](CCO)CC2)c2ccccc12 ZINC000028251789 558693829 /nfs/dbraw/zinc/69/38/29/558693829.db2.gz VEEOIXCGRNJURP-UHFFFAOYSA-N 1 2 406.548 2.707 40 0 HFABLO CCCn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000036616934 558730805 /nfs/dbraw/zinc/73/08/05/558730805.db2.gz CNMXQGOKXOFELD-UHFFFAOYSA-N 1 2 421.549 2.893 40 0 HFABLO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@H](C)N3CCOCC3)CC2)cc1 ZINC000019079054 558838869 /nfs/dbraw/zinc/83/88/69/558838869.db2.gz HTBTWWSIZPPCPF-GBXCKJPGSA-N 1 2 423.557 2.650 40 0 HFABLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)o1 ZINC000019216413 558850445 /nfs/dbraw/zinc/85/04/45/558850445.db2.gz FLVAKQAOUGSRGH-OAQYLSRUSA-N 1 2 419.485 2.932 40 0 HFABLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)o1 ZINC000019216413 558850448 /nfs/dbraw/zinc/85/04/48/558850448.db2.gz FLVAKQAOUGSRGH-OAQYLSRUSA-N 1 2 419.485 2.932 40 0 HFABLO COCCN1Cc2cccc(C(=O)N[C@@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2C1=O ZINC000019291211 558863550 /nfs/dbraw/zinc/86/35/50/558863550.db2.gz TZDYFKMTSBJCEC-HXUWFJFHSA-N 1 2 422.460 2.681 40 0 HFABLO COc1cccc([C@@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c1 ZINC000054123581 558866221 /nfs/dbraw/zinc/86/62/21/558866221.db2.gz AIIXHUUGFGMJPJ-GHTZIAJQSA-N 1 2 418.501 2.767 40 0 HFABLO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)n[nH]1 ZINC000019451839 558889928 /nfs/dbraw/zinc/88/99/28/558889928.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 1 2 412.538 2.750 40 0 HFABLO CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)n[nH]1 ZINC000019451839 558889931 /nfs/dbraw/zinc/88/99/31/558889931.db2.gz FAMAZUJQSQWWGI-IBGZPJMESA-N 1 2 412.538 2.750 40 0 HFABLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000057823173 558891265 /nfs/dbraw/zinc/89/12/65/558891265.db2.gz RGUVUBSCYWRSJJ-SFHVURJKSA-N 1 2 407.923 2.806 40 0 HFABLO CCOc1cc(C[N@@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)ccc1OC ZINC000019532093 558912370 /nfs/dbraw/zinc/91/23/70/558912370.db2.gz TZSBHJRGORWIMD-UHFFFAOYSA-N 1 2 407.474 2.501 40 0 HFABLO CCOc1cc(C[N@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)ccc1OC ZINC000019532093 558912372 /nfs/dbraw/zinc/91/23/72/558912372.db2.gz TZSBHJRGORWIMD-UHFFFAOYSA-N 1 2 407.474 2.501 40 0 HFABLO COc1cccc([C@H](NC(=O)c2cc(-c3cn(C)nc3C)no2)c2[nH+]ccn2C)c1 ZINC000019584086 558938252 /nfs/dbraw/zinc/93/82/52/558938252.db2.gz UHZKMRSZXFTUER-IBGZPJMESA-N 1 2 406.446 2.645 40 0 HFABLO Cc1nc(CC(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cs1 ZINC000019710335 558972166 /nfs/dbraw/zinc/97/21/66/558972166.db2.gz VEQOZTLGQLKBCN-SFHVURJKSA-N 1 2 414.579 2.592 40 0 HFABLO Cc1nc(CC(=O)N2CCCC[C@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cs1 ZINC000019710335 558972170 /nfs/dbraw/zinc/97/21/70/558972170.db2.gz VEQOZTLGQLKBCN-SFHVURJKSA-N 1 2 414.579 2.592 40 0 HFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710350 558972348 /nfs/dbraw/zinc/97/23/48/558972348.db2.gz NNNIOJQXVXYJBS-HXUWFJFHSA-N 1 2 411.525 2.966 40 0 HFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710350 558972351 /nfs/dbraw/zinc/97/23/51/558972351.db2.gz NNNIOJQXVXYJBS-HXUWFJFHSA-N 1 2 411.525 2.966 40 0 HFABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)cc1 ZINC000585111592 559030584 /nfs/dbraw/zinc/03/05/84/559030584.db2.gz XJJWTQCHEUNCQV-UHFFFAOYSA-N 1 2 418.453 2.936 40 0 HFABLO COc1ccc(N(C)c2ccc3ccc(C(=O)NCC[NH+]4CCOCC4)cn32)cc1 ZINC000096146209 559097774 /nfs/dbraw/zinc/09/77/74/559097774.db2.gz NKLHWMJEOZQRJF-UHFFFAOYSA-N 1 2 408.502 2.778 40 0 HFABLO O=C(c1ccccc1)N1CCS(=O)(=O)[C@@H]2CC[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000096251613 559105553 /nfs/dbraw/zinc/10/55/53/559105553.db2.gz GWDRWKIIBMSUHL-LEWJYISDSA-N 1 2 416.518 2.730 40 0 HFABLO O=C(c1ccccc1)N1CCS(=O)(=O)[C@@H]2CC[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000096251613 559105555 /nfs/dbraw/zinc/10/55/55/559105555.db2.gz GWDRWKIIBMSUHL-LEWJYISDSA-N 1 2 416.518 2.730 40 0 HFABLO CC(C)c1ccc(S(=O)(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259607 559106020 /nfs/dbraw/zinc/10/60/20/559106020.db2.gz GFOVGNVVHNLHTO-UHFFFAOYSA-N 1 2 417.579 2.982 40 0 HFABLO COc1ccc(C)cc1N1C(=O)C[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332172 559149988 /nfs/dbraw/zinc/14/99/88/559149988.db2.gz QINOBCDZYMWOAL-GOSISDBHSA-N 1 2 410.470 2.711 40 0 HFABLO COc1ccc(C)cc1N1C(=O)C[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000102332172 559149989 /nfs/dbraw/zinc/14/99/89/559149989.db2.gz QINOBCDZYMWOAL-GOSISDBHSA-N 1 2 410.470 2.711 40 0 HFABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC2(CN(S(C)(=O)=O)C(C)(C)C2)CC1 ZINC000257218257 559282701 /nfs/dbraw/zinc/28/27/01/559282701.db2.gz DCKSSPVWKZXDLW-UHFFFAOYSA-N 1 2 407.580 2.768 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889107 560542301 /nfs/dbraw/zinc/54/23/01/560542301.db2.gz UXRAAXMIBDEZGO-WIYYLYMNSA-N 1 2 422.533 2.823 40 0 HFABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1ccc(F)cc1 ZINC000008810930 560756689 /nfs/dbraw/zinc/75/66/89/560756689.db2.gz VDRYGODOJPIYLU-UHFFFAOYSA-N 1 2 420.441 2.782 40 0 HFABLO CC[C@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219247890 568488550 /nfs/dbraw/zinc/48/85/50/568488550.db2.gz CBSKJMLMJDOCOU-NRFANRHFSA-N 1 2 416.543 2.803 40 0 HFABLO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670528 568494744 /nfs/dbraw/zinc/49/47/44/568494744.db2.gz WORUOBPOPYDIRD-PMACEKPBSA-N 1 2 402.518 2.901 40 0 HFABLO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496383 /nfs/dbraw/zinc/49/63/83/568496383.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 1 2 417.506 2.749 40 0 HFABLO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000057731090 568496384 /nfs/dbraw/zinc/49/63/84/568496384.db2.gz DDRDDUOQMUYICI-XOBRGWDASA-N 1 2 417.506 2.749 40 0 HFABLO CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223136446 568539091 /nfs/dbraw/zinc/53/90/91/568539091.db2.gz DGMHQFSUJGIAIX-SFTDATJTSA-N 1 2 413.591 2.825 40 0 HFABLO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)ccc2n1C ZINC000257309707 568807262 /nfs/dbraw/zinc/80/72/62/568807262.db2.gz UCBIYOOVSNJHDS-GMAHTHKFSA-N 1 2 408.502 2.725 40 0 HFABLO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)ccc2n1C ZINC000257309707 568807263 /nfs/dbraw/zinc/80/72/63/568807263.db2.gz UCBIYOOVSNJHDS-GMAHTHKFSA-N 1 2 408.502 2.725 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@]3(C[N@H+](Cc4cccnc4)CCO3)CC2)cc1 ZINC000306123949 568886982 /nfs/dbraw/zinc/88/69/82/568886982.db2.gz BBEFFULGKRQKPZ-QFIPXVFZSA-N 1 2 415.559 2.836 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCC[C@@]3(C[N@@H+](Cc4cccnc4)CCO3)CC2)cc1 ZINC000306123949 568886984 /nfs/dbraw/zinc/88/69/84/568886984.db2.gz BBEFFULGKRQKPZ-QFIPXVFZSA-N 1 2 415.559 2.836 40 0 HFABLO COc1ncccc1C[N@@H+]1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306133972 568896030 /nfs/dbraw/zinc/89/60/30/568896030.db2.gz NAKOWOKKQVTWDX-OAQYLSRUSA-N 1 2 417.531 2.526 40 0 HFABLO COc1ncccc1C[N@H+]1CC[C@@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306133972 568896032 /nfs/dbraw/zinc/89/60/32/568896032.db2.gz NAKOWOKKQVTWDX-OAQYLSRUSA-N 1 2 417.531 2.526 40 0 HFABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306136105 568897998 /nfs/dbraw/zinc/89/79/98/568897998.db2.gz PJLWBYYFUZVXLG-UHFFFAOYSA-N 1 2 409.465 2.683 40 0 HFABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)Cc3ccco3)CC2)C1 ZINC000306136105 568898000 /nfs/dbraw/zinc/89/80/00/568898000.db2.gz PJLWBYYFUZVXLG-UHFFFAOYSA-N 1 2 409.465 2.683 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2S3(=O)=O)cn1 ZINC000306136632 568898410 /nfs/dbraw/zinc/89/84/10/568898410.db2.gz PYSLOCGOAYZBJN-XMSQKQJNSA-N 1 2 423.494 2.571 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2S3(=O)=O)cn1 ZINC000306136632 568898411 /nfs/dbraw/zinc/89/84/11/568898411.db2.gz PYSLOCGOAYZBJN-XMSQKQJNSA-N 1 2 423.494 2.571 40 0 HFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CC3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306143392 568904974 /nfs/dbraw/zinc/90/49/74/568904974.db2.gz YBDPAOQSQQQUKA-AUSIDOKSSA-N 1 2 407.518 2.614 40 0 HFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)C3CC3)C[C@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306143394 568905019 /nfs/dbraw/zinc/90/50/19/568905019.db2.gz YBDPAOQSQQQUKA-WMZHIEFXSA-N 1 2 407.518 2.614 40 0 HFABLO O=S(=O)(CCc1ccccc1)NCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000011900840 568941619 /nfs/dbraw/zinc/94/16/19/568941619.db2.gz AQHCRMYGWMVRSL-UHFFFAOYSA-N 1 2 407.967 2.624 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230031 569313806 /nfs/dbraw/zinc/31/38/06/569313806.db2.gz KKYRICWKTWJNLC-ZSTWQFLISA-N 1 2 422.481 2.944 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3cnn(C)c3)CCO2)cc1 ZINC000019692656 569346161 /nfs/dbraw/zinc/34/61/61/569346161.db2.gz KZGKVTYEXIXSGU-FQEVSTJZSA-N 1 2 408.506 2.525 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)cc1 ZINC000019692656 569346162 /nfs/dbraw/zinc/34/61/62/569346162.db2.gz KZGKVTYEXIXSGU-FQEVSTJZSA-N 1 2 408.506 2.525 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3cnn(C)c3C)CCO2)cc1 ZINC000019692803 569346223 /nfs/dbraw/zinc/34/62/23/569346223.db2.gz GVDRTTDMPMNDEB-OAQYLSRUSA-N 1 2 422.533 2.834 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3cnn(C)c3C)CCO2)cc1 ZINC000019692803 569346224 /nfs/dbraw/zinc/34/62/24/569346224.db2.gz GVDRTTDMPMNDEB-OAQYLSRUSA-N 1 2 422.533 2.834 40 0 HFABLO C[C@H](CO)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328983728 571305100 /nfs/dbraw/zinc/30/51/00/571305100.db2.gz HJJTWSWQYDWOFO-QGZVFWFLSA-N 1 2 405.502 3.517 40 0 HFABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)N(Cc2[nH+]ccn2C)C3)cc1 ZINC000225480642 291225177 /nfs/dbraw/zinc/22/51/77/291225177.db2.gz XKVSHVAPUQAGOL-FPOVZHCZSA-N 1 2 418.497 2.997 40 0 biogenic,in-vitro HFABLO Clc1ccc(Cl)c(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC000005255824 132304502 /nfs/dbraw/zinc/30/45/02/132304502.db2.gz CMPSLJBKHIZHSE-UHFFFAOYSA-N 1 2 411.293 2.595 40 0 HFABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009937743 132344337 /nfs/dbraw/zinc/34/43/37/132344337.db2.gz FHZQVJXCMLWGQP-HNNXBMFYSA-N 1 2 404.474 2.746 40 0 HFABLO CCc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000044884653 521848001 /nfs/dbraw/zinc/84/80/01/521848001.db2.gz GALYDLWCBURVMP-UHFFFAOYSA-N 1 2 412.515 2.517 40 0 HFABLO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020454861 525218510 /nfs/dbraw/zinc/21/85/10/525218510.db2.gz YBXNHNMDUTYDPU-UHFFFAOYSA-N 1 2 407.923 2.670 40 0 HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc3ccccc31)CC(=O)N2 ZINC000020800095 527555075 /nfs/dbraw/zinc/55/50/75/527555075.db2.gz SSGNYLNADPGOOW-HNNXBMFYSA-N 1 2 402.458 2.877 40 0 HFABLO CCOc1cc([C@H]2C(C(=O)NCc3ccccc3)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408558011 557455049 /nfs/dbraw/zinc/45/50/49/557455049.db2.gz RKJRJQLKRZOQDH-FQEVSTJZSA-N 1 2 405.458 2.641 40 0 HFABLO Cc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019820001 558290336 /nfs/dbraw/zinc/29/03/36/558290336.db2.gz IIBJOHNQBSMZAV-LBPRGKRZSA-N 1 2 400.870 2.685 40 0 HFABLO Cc1cccc(C)c1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000020106521 558333676 /nfs/dbraw/zinc/33/36/76/558333676.db2.gz YRRIIGAHMYYLRA-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO CCc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000020111065 558335850 /nfs/dbraw/zinc/33/58/50/558335850.db2.gz SFIOIAFMCBLPBQ-UHFFFAOYSA-N 1 2 412.515 2.517 40 0 HFABLO Cc1cc(CN2CCOCC2)oc1C(=O)N1CC[N@@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000012156428 558340499 /nfs/dbraw/zinc/34/04/99/558340499.db2.gz MHNBBRQZCVIMCT-OAQYLSRUSA-N 1 2 415.534 2.996 40 0 HFABLO Cc1cc(CN2CCOCC2)oc1C(=O)N1CC[N@H+](Cc2ccco2)C[C@@H]1C(C)C ZINC000012156428 558340502 /nfs/dbraw/zinc/34/05/02/558340502.db2.gz MHNBBRQZCVIMCT-OAQYLSRUSA-N 1 2 415.534 2.996 40 0 HFABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1Cl ZINC000020453719 558367672 /nfs/dbraw/zinc/36/76/72/558367672.db2.gz OMYJYKQMIVHTEY-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(Cl)c1 ZINC000020456743 558370201 /nfs/dbraw/zinc/37/02/01/558370201.db2.gz DHMOGGJIGJRDRN-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO Cc1ccc(Cl)cc1N(CCCC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000013679756 558566045 /nfs/dbraw/zinc/56/60/45/558566045.db2.gz PEXMENLUNMYLHE-UHFFFAOYSA-N 1 2 412.943 2.598 40 0 HFABLO NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(Oc3ccccc3F)CC1)CCC2 ZINC000019350144 558875516 /nfs/dbraw/zinc/87/55/16/558875516.db2.gz XPVDQEVKYLIGGL-UHFFFAOYSA-N 1 2 417.506 2.957 40 0 HFABLO CCc1c(C)nc2cc(-c3cc(C)oc3C)nn2c1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000019521634 558902781 /nfs/dbraw/zinc/90/27/81/558902781.db2.gz QWZAMCWAPRHEGO-QGZVFWFLSA-N 1 2 413.522 2.582 40 0 HFABLO CCn1cc(C[NH+]2CCN(C(=O)C3(c4ccc(Cl)cc4)CCOCC3)CC2)cn1 ZINC000019524950 558906288 /nfs/dbraw/zinc/90/62/88/558906288.db2.gz HGFHQUJXIARFMU-UHFFFAOYSA-N 1 2 416.953 2.949 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335581 558936530 /nfs/dbraw/zinc/93/65/30/558936530.db2.gz DIPZTJWETZQAMJ-IYBDPMFKSA-N 1 2 405.502 2.902 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335581 558936533 /nfs/dbraw/zinc/93/65/33/558936533.db2.gz DIPZTJWETZQAMJ-IYBDPMFKSA-N 1 2 405.502 2.902 40 0 HFABLO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358605 558954355 /nfs/dbraw/zinc/95/43/55/558954355.db2.gz OTSFCFDKSGRNEP-MRXNPFEDSA-N 1 2 422.514 2.517 40 0 HFABLO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000072358605 558954357 /nfs/dbraw/zinc/95/43/57/558954357.db2.gz OTSFCFDKSGRNEP-MRXNPFEDSA-N 1 2 422.514 2.517 40 0 HFABLO COCCN(C)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143952 559096405 /nfs/dbraw/zinc/09/64/05/559096405.db2.gz APHXUBRTSPCATC-ISKFKSNPSA-N 1 2 410.514 2.800 40 0 HFABLO COCCN(C)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143952 559096407 /nfs/dbraw/zinc/09/64/07/559096407.db2.gz APHXUBRTSPCATC-ISKFKSNPSA-N 1 2 410.514 2.800 40 0 HFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)Cc1ccsc1)CCC2 ZINC000096251258 559105284 /nfs/dbraw/zinc/10/52/84/559105284.db2.gz NIOSJPPUVONOKM-AVRDEDQJSA-N 1 2 412.559 2.519 40 0 HFABLO CCc1[nH+]ccn1CC(=O)N[C@@H](Cc1cc(=O)n2[nH]c(C)cc2n1)c1ccc(F)cc1 ZINC000100220682 559132232 /nfs/dbraw/zinc/13/22/32/559132232.db2.gz RZYMDXCJTFHXDF-SFHVURJKSA-N 1 2 422.464 2.742 40 0 HFABLO O=C(CCN1C(=O)S/C(=C\c2ccccc2F)C1=O)NCCCn1cc[nH+]c1 ZINC000033538346 559207306 /nfs/dbraw/zinc/20/73/06/559207306.db2.gz CBGOCHLJYWXVSX-VBKFSLOCSA-N 1 2 402.451 2.655 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004212440 560603722 /nfs/dbraw/zinc/60/37/22/560603722.db2.gz CRTZILDQCPWYLJ-XOBRGWDASA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004212440 560603723 /nfs/dbraw/zinc/60/37/23/560603723.db2.gz CRTZILDQCPWYLJ-XOBRGWDASA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212422 560603733 /nfs/dbraw/zinc/60/37/33/560603733.db2.gz ZWROWEDZAIATGD-HXUWFJFHSA-N 1 2 410.522 2.599 40 0 HFABLO Cc1ccccc1C(=O)NC1CC[NH+](Cc2nnnn2CCc2ccccc2)CC1 ZINC000004910357 560618258 /nfs/dbraw/zinc/61/82/58/560618258.db2.gz VULHWPAAWCHTDL-UHFFFAOYSA-N 1 2 404.518 2.619 40 0 HFABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589940 568493783 /nfs/dbraw/zinc/49/37/83/568493783.db2.gz LMQNBSJYJDGNEH-NRFANRHFSA-N 1 2 422.533 2.793 40 0 HFABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C ZINC000223179533 568540201 /nfs/dbraw/zinc/54/02/01/568540201.db2.gz GWHJSWHBXHMEFA-LEWJYISDSA-N 1 2 413.591 2.732 40 0 HFABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)ccc1OC ZINC000095534372 568635840 /nfs/dbraw/zinc/63/58/40/568635840.db2.gz CPOAAHGUQGPGFR-SFHVURJKSA-N 1 2 414.462 2.953 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 ZINC000257200050 568776216 /nfs/dbraw/zinc/77/62/16/568776216.db2.gz ABUZGDUQDCLQJI-UHFFFAOYSA-N 1 2 409.530 2.536 40 0 HFABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc4[nH]cnc4c3)C2)c2cnccc2[nH+]1 ZINC000257218534 568781435 /nfs/dbraw/zinc/78/14/35/568781435.db2.gz DDMGSZSZPXYGPL-HSZRJFAPSA-N 1 2 416.485 2.528 40 0 HFABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cnn(C)c5)CCN4C)nnn3c2)cc1 ZINC000306126167 568888895 /nfs/dbraw/zinc/88/88/95/568888895.db2.gz DOQDTPGYBXEFIX-QFIPXVFZSA-N 1 2 401.518 2.927 40 0 HFABLO Cc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cnn(C)c5)CCN4C)nnn3c2)cc1 ZINC000306126167 568888898 /nfs/dbraw/zinc/88/88/98/568888898.db2.gz DOQDTPGYBXEFIX-QFIPXVFZSA-N 1 2 401.518 2.927 40 0 HFABLO COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)c1 ZINC000306126410 568889287 /nfs/dbraw/zinc/88/92/87/568889287.db2.gz DUVSHWUDYLWTHN-IRLDBZIGSA-N 1 2 409.511 2.851 40 0 HFABLO COc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)c1 ZINC000306126410 568889290 /nfs/dbraw/zinc/88/92/90/568889290.db2.gz DUVSHWUDYLWTHN-IRLDBZIGSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5cccnc5)CCN4C)nnn3c2)cn1 ZINC000306128877 568891700 /nfs/dbraw/zinc/89/17/00/568891700.db2.gz HNKLWVUOYQKVAC-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5cccnc5)CCN4C)nnn3c2)cn1 ZINC000306128877 568891701 /nfs/dbraw/zinc/89/17/01/568891701.db2.gz HNKLWVUOYQKVAC-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccccc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306139710 568901495 /nfs/dbraw/zinc/90/14/95/568901495.db2.gz TYDBTNTYGVKDNL-KNQAVFIVSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306139710 568901496 /nfs/dbraw/zinc/90/14/96/568901496.db2.gz TYDBTNTYGVKDNL-KNQAVFIVSA-N 1 2 409.511 2.851 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069408 568975648 /nfs/dbraw/zinc/97/56/48/568975648.db2.gz YXBKRWOHOMJBJH-ZDUSSCGKSA-N 1 2 419.407 2.686 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3cnn(C)c3)CCO2)cc1 ZINC000019692657 569346156 /nfs/dbraw/zinc/34/61/56/569346156.db2.gz KZGKVTYEXIXSGU-HXUWFJFHSA-N 1 2 408.506 2.525 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3cnn(C)c3)CCO2)cc1 ZINC000019692657 569346157 /nfs/dbraw/zinc/34/61/57/569346157.db2.gz KZGKVTYEXIXSGU-HXUWFJFHSA-N 1 2 408.506 2.525 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019692807 569346179 /nfs/dbraw/zinc/34/61/79/569346179.db2.gz OVXKUTODFMXEIL-HXUWFJFHSA-N 1 2 410.497 2.964 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019692807 569346180 /nfs/dbraw/zinc/34/61/80/569346180.db2.gz OVXKUTODFMXEIL-HXUWFJFHSA-N 1 2 410.497 2.964 40 0 HFABLO COc1cc(C)ccc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692981 569346246 /nfs/dbraw/zinc/34/62/46/569346246.db2.gz BFRLJMVYXLPDFM-NRFANRHFSA-N 1 2 420.517 2.890 40 0 HFABLO COc1cc(C)ccc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692981 569346247 /nfs/dbraw/zinc/34/62/47/569346247.db2.gz BFRLJMVYXLPDFM-NRFANRHFSA-N 1 2 420.517 2.890 40 0 HFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@H](c3ncncc3-c3noc(C)n3)C1)CCC2 ZINC000019693779 569346611 /nfs/dbraw/zinc/34/66/11/569346611.db2.gz IQILZGXFPOXIMY-FQEVSTJZSA-N 1 2 407.474 2.906 40 0 HFABLO COc1cc2c(cc1C[N@H+]1CCO[C@H](c3ncncc3-c3noc(C)n3)C1)CCC2 ZINC000019693779 569346612 /nfs/dbraw/zinc/34/66/12/569346612.db2.gz IQILZGXFPOXIMY-FQEVSTJZSA-N 1 2 407.474 2.906 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364278 569413715 /nfs/dbraw/zinc/41/37/15/569413715.db2.gz KKVSFIPYXZPTOR-IBGZPJMESA-O 1 2 409.447 2.501 40 0 HFABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@@H+]21 ZINC000253399480 291217662 /nfs/dbraw/zinc/21/76/62/291217662.db2.gz JLPHAJNXAJUJJN-IBGZPJMESA-N 1 2 419.953 2.514 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C(=O)C3CCOCC3)CC[N@H+]21 ZINC000253399480 291217665 /nfs/dbraw/zinc/21/76/65/291217665.db2.gz JLPHAJNXAJUJJN-IBGZPJMESA-N 1 2 419.953 2.514 40 0 biogenic,in-vitro HFABLO Clc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cc1Cl ZINC000004853718 132290773 /nfs/dbraw/zinc/29/07/73/132290773.db2.gz JVMUXFPBYBVAMT-UHFFFAOYSA-N 1 2 411.293 2.595 40 0 HFABLO CCn1c(C[N@@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012116269 535984677 /nfs/dbraw/zinc/98/46/77/535984677.db2.gz PYHUJTYOBGCRMI-UHFFFAOYSA-N 1 2 406.534 2.934 40 0 HFABLO CCn1c(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)nc2ccccc21 ZINC000012116269 535984683 /nfs/dbraw/zinc/98/46/83/535984683.db2.gz PYHUJTYOBGCRMI-UHFFFAOYSA-N 1 2 406.534 2.934 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847565 557606009 /nfs/dbraw/zinc/60/60/09/557606009.db2.gz ACVKCECFTPOWDW-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004847565 557606011 /nfs/dbraw/zinc/60/60/11/557606011.db2.gz ACVKCECFTPOWDW-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CCC[C@H]1OC[C@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496237 557657794 /nfs/dbraw/zinc/65/77/94/557657794.db2.gz PCUBUZPKKMIXRP-CJRSTVEYSA-N 1 2 413.514 2.521 40 0 HFABLO O=C(NCCC[NH+]1CCOCC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn21 ZINC000408678542 557685037 /nfs/dbraw/zinc/68/50/37/557685037.db2.gz SOZABMAVVISUEZ-UHFFFAOYSA-N 1 2 409.461 2.767 40 0 HFABLO Cc1sc2nc(Cc3ccccc3)n(C3CC[NH+](CC(N)=O)CC3)c(=O)c2c1C ZINC000012145314 558336559 /nfs/dbraw/zinc/33/65/59/558336559.db2.gz YUUQQTMOMSWGIE-UHFFFAOYSA-N 1 2 410.543 2.788 40 0 HFABLO CC(C)NC(=O)C[NH+]1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 ZINC000038908469 558819820 /nfs/dbraw/zinc/81/98/20/558819820.db2.gz RSXBYHQPWKCNBU-UHFFFAOYSA-N 1 2 405.546 2.727 40 0 HFABLO Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@H+](C(C)C)CC5)CC2)on1 ZINC000019119739 558842884 /nfs/dbraw/zinc/84/28/84/558842884.db2.gz LHFMGYYSYKMLIA-UHFFFAOYSA-N 1 2 424.505 2.518 40 0 HFABLO Cc1cc(C(=O)N2CCC(c3cc4nc5c(c(=O)n4[nH]3)C[N@@H+](C(C)C)CC5)CC2)on1 ZINC000019119739 558842886 /nfs/dbraw/zinc/84/28/86/558842886.db2.gz LHFMGYYSYKMLIA-UHFFFAOYSA-N 1 2 424.505 2.518 40 0 HFABLO COc1ccc(C)cc1CC(=O)N1CC[NH+](Cc2cc(-c3cccnc3)nn2C)CC1 ZINC000019133059 558845754 /nfs/dbraw/zinc/84/57/54/558845754.db2.gz ZOIBNVAHNBJCAR-UHFFFAOYSA-N 1 2 419.529 2.686 40 0 HFABLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)o1 ZINC000019216415 558850390 /nfs/dbraw/zinc/85/03/90/558850390.db2.gz FLVAKQAOUGSRGH-NRFANRHFSA-N 1 2 419.485 2.932 40 0 HFABLO Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc([C@H]3NC(=O)c4cccnc4N3C)cc2)o1 ZINC000019216415 558850392 /nfs/dbraw/zinc/85/03/92/558850392.db2.gz FLVAKQAOUGSRGH-NRFANRHFSA-N 1 2 419.485 2.932 40 0 HFABLO Cc1ccn2cc(C(=O)N3CCN([C@H](c4[nH+]ccn4C)c4ccccc4)CC3)nc2c1 ZINC000019238175 558857202 /nfs/dbraw/zinc/85/72/02/558857202.db2.gz OXMHDEMMLLEVEH-QFIPXVFZSA-N 1 2 414.513 2.924 40 0 HFABLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1Cl ZINC000057823176 558891177 /nfs/dbraw/zinc/89/11/77/558891177.db2.gz RGUVUBSCYWRSJJ-GOSISDBHSA-N 1 2 407.923 2.806 40 0 HFABLO Cc1nn(C[C@H](C)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1C ZINC000019556989 558919237 /nfs/dbraw/zinc/91/92/37/558919237.db2.gz QGUOVIVGBVXWMP-INIZCTEOSA-N 1 2 400.523 2.794 40 0 HFABLO C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)c1[nH]nc2c1CCCC2 ZINC000019583476 558938050 /nfs/dbraw/zinc/93/80/50/558938050.db2.gz PXUQJSQZTGTXHN-UHFFFAOYSA-N 1 2 410.497 2.783 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370850 558957428 /nfs/dbraw/zinc/95/74/28/558957428.db2.gz GGZMJSAKKOXIDQ-HXUWFJFHSA-N 1 2 407.474 2.712 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370850 558957429 /nfs/dbraw/zinc/95/74/29/558957429.db2.gz GGZMJSAKKOXIDQ-HXUWFJFHSA-N 1 2 407.474 2.712 40 0 HFABLO Cc1cccc(Nc2ccc(C3CCN(S(=O)(=O)c4cn(C)cn4)CC3)nc2)[nH+]1 ZINC000072374340 558961670 /nfs/dbraw/zinc/96/16/70/558961670.db2.gz HYRCWNASWMDNCS-UHFFFAOYSA-N 1 2 412.519 2.830 40 0 HFABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072379245 558968155 /nfs/dbraw/zinc/96/81/55/558968155.db2.gz QLYUJVBLHHQMRZ-INIZCTEOSA-N 1 2 414.535 2.693 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N(C)[C@H](C)Cc4ccccn4)n2)C[N@H+](C)CC3)CC1 ZINC000019710510 558972698 /nfs/dbraw/zinc/97/26/98/558972698.db2.gz APMJXODBDUUMIH-QGZVFWFLSA-N 1 2 422.577 2.653 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N(C)[C@H](C)Cc4ccccn4)n2)C[N@@H+](C)CC3)CC1 ZINC000019710510 558972701 /nfs/dbraw/zinc/97/27/01/558972701.db2.gz APMJXODBDUUMIH-QGZVFWFLSA-N 1 2 422.577 2.653 40 0 HFABLO COc1ccccc1-c1ccccc1C[NH+]1CCN(S(=O)(=O)N2CCCC2)CC1 ZINC000019714629 558974833 /nfs/dbraw/zinc/97/48/33/558974833.db2.gz KLPYVMPMOYRURP-UHFFFAOYSA-N 1 2 415.559 2.820 40 0 HFABLO Cc1nn(-c2ccccc2)c2nc3c(cc12)CN(CCC[NH+]1CCOCC1)C(=O)O3 ZINC000072396589 558975372 /nfs/dbraw/zinc/97/53/72/558975372.db2.gz BVWLZKZQKJGZQS-UHFFFAOYSA-N 1 2 407.474 2.766 40 0 HFABLO CCCOc1cc2c(cc1C[N@@H+]1CCc3nc4cc(C)[nH]n4c(=O)c3CC1)OCO2 ZINC000100775122 559140450 /nfs/dbraw/zinc/14/04/50/559140450.db2.gz QAZADSKLPHCKNB-UHFFFAOYSA-N 1 2 410.474 2.862 40 0 HFABLO CCCOc1cc2c(cc1C[N@H+]1CCc3nc4cc(C)[nH]n4c(=O)c3CC1)OCO2 ZINC000100775122 559140453 /nfs/dbraw/zinc/14/04/53/559140453.db2.gz QAZADSKLPHCKNB-UHFFFAOYSA-N 1 2 410.474 2.862 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889110 560542263 /nfs/dbraw/zinc/54/22/63/560542263.db2.gz UXRAAXMIBDEZGO-GHTZIAJQSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000889098 560542293 /nfs/dbraw/zinc/54/22/93/560542293.db2.gz LBUARMSNENZPGL-XLIONFOSSA-N 1 2 408.506 2.577 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000100427875 560724590 /nfs/dbraw/zinc/72/45/90/560724590.db2.gz OSEWGOBECXGGEX-UPUUWEMXSA-N 1 2 420.509 2.805 40 0 HFABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000216417414 568465178 /nfs/dbraw/zinc/46/51/78/568465178.db2.gz XVNVHILOAFEGGJ-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO COc1ccc(-c2noc(CNC(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000219248324 568488431 /nfs/dbraw/zinc/48/84/31/568488431.db2.gz JVNHRIJMOKZZCT-UHFFFAOYSA-N 1 2 408.458 2.507 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000222804609 568526954 /nfs/dbraw/zinc/52/69/54/568526954.db2.gz YXJBHBLQTIKWLY-UHFFFAOYSA-N 1 2 423.538 2.706 40 0 HFABLO Cc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000224177683 568572562 /nfs/dbraw/zinc/57/25/62/568572562.db2.gz XVDHLSOTLNOVFD-UHFFFAOYSA-N 1 2 415.559 2.729 40 0 HFABLO FC(F)(F)c1ccc(NC(=S)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000225218763 568624166 /nfs/dbraw/zinc/62/41/66/568624166.db2.gz WYNFIQHTSGLOBX-UHFFFAOYSA-N 1 2 410.469 2.604 40 0 HFABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1OC ZINC000225225379 568624552 /nfs/dbraw/zinc/62/45/52/568624552.db2.gz BDAZRFJNDQEGBA-UHFFFAOYSA-N 1 2 402.520 2.622 40 0 HFABLO COc1ccccc1OCC(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257274481 568796973 /nfs/dbraw/zinc/79/69/73/568796973.db2.gz NLFRRZRUFRIZJY-MRXNPFEDSA-N 1 2 405.458 2.524 40 0 HFABLO Cc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@H](CC(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000257285586 568799985 /nfs/dbraw/zinc/79/99/85/568799985.db2.gz PHWMKWNYKDTMOL-GOSISDBHSA-N 1 2 420.517 2.640 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 ZINC000257288868 568801003 /nfs/dbraw/zinc/80/10/03/568801003.db2.gz PWAKKSNQHUDZQC-NRFANRHFSA-N 1 2 417.460 2.627 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 ZINC000257288868 568801005 /nfs/dbraw/zinc/80/10/05/568801005.db2.gz PWAKKSNQHUDZQC-NRFANRHFSA-N 1 2 417.460 2.627 40 0 HFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126369 568889072 /nfs/dbraw/zinc/88/90/72/568889072.db2.gz DTONCOPZYYSNFR-XXBNENTESA-N 1 2 407.518 2.727 40 0 HFABLO Cc1ccccc1CC(=O)N1C[C@@H](c2cn(C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306140518 568902428 /nfs/dbraw/zinc/90/24/28/568902428.db2.gz UVZOVSXDTUAXJC-RDPSFJRHSA-N 1 2 406.530 2.526 40 0 HFABLO Cc1[nH+]c2c(n1CC1CC1)CN(C(=O)C1CC1)CC21CCN(c2ncccn2)CC1 ZINC000306143626 568905079 /nfs/dbraw/zinc/90/50/79/568905079.db2.gz YHALMFNIMRQKCQ-UHFFFAOYSA-N 1 2 406.534 2.682 40 0 HFABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306144189 568905626 /nfs/dbraw/zinc/90/56/26/568905626.db2.gz YYOFFFHKSJEEFF-FPOVZHCZSA-N 1 2 411.531 2.620 40 0 HFABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306144189 568905627 /nfs/dbraw/zinc/90/56/27/568905627.db2.gz YYOFFFHKSJEEFF-FPOVZHCZSA-N 1 2 411.531 2.620 40 0 HFABLO OCCCNc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329043029 568974328 /nfs/dbraw/zinc/97/43/28/568974328.db2.gz SPORVGMVEXOZHC-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000524734866 569291769 /nfs/dbraw/zinc/29/17/69/569291769.db2.gz SASZEINZYRVCFT-WGSAOQKQSA-N 1 2 412.538 2.983 40 0 HFABLO O=C(C[N@H+]1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019293854 569345413 /nfs/dbraw/zinc/34/54/13/569345413.db2.gz IAJCKCYBIUDIQZ-GOSISDBHSA-N 1 2 417.554 2.591 40 0 HFABLO O=C(C[N@@H+]1CCCN(Cc2cccc(F)c2)CC1)N1CCC[C@@H](c2csnn2)C1 ZINC000019293854 569345414 /nfs/dbraw/zinc/34/54/14/569345414.db2.gz IAJCKCYBIUDIQZ-GOSISDBHSA-N 1 2 417.554 2.591 40 0 HFABLO COc1c(C)cccc1C[N@@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692965 569346238 /nfs/dbraw/zinc/34/62/38/569346238.db2.gz OJOQHCOQZABWJY-FQEVSTJZSA-N 1 2 420.517 2.890 40 0 HFABLO COc1c(C)cccc1C[N@H+]1CCO[C@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692965 569346239 /nfs/dbraw/zinc/34/62/39/569346239.db2.gz OJOQHCOQZABWJY-FQEVSTJZSA-N 1 2 420.517 2.890 40 0 HFABLO CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)no1 ZINC000019693704 569346460 /nfs/dbraw/zinc/34/64/60/569346460.db2.gz DPLBWPLJWINPIC-MRXNPFEDSA-N 1 2 424.480 2.676 40 0 HFABLO CCc1nc(-c2cncnc2[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)no1 ZINC000019693704 569346461 /nfs/dbraw/zinc/34/64/61/569346461.db2.gz DPLBWPLJWINPIC-MRXNPFEDSA-N 1 2 424.480 2.676 40 0 HFABLO C[N@H+](CC(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)Cc1ccccn1 ZINC000019704635 569347610 /nfs/dbraw/zinc/34/76/10/569347610.db2.gz QKMUCGCOLOCKMU-QGZVFWFLSA-N 1 2 423.492 2.971 40 0 HFABLO C[N@@H+](CC(=O)N1CC[C@@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)Cc1ccccn1 ZINC000019704635 569347611 /nfs/dbraw/zinc/34/76/11/569347611.db2.gz QKMUCGCOLOCKMU-QGZVFWFLSA-N 1 2 423.492 2.971 40 0 HFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1C(=O)c1cccs1 ZINC000012530287 291221140 /nfs/dbraw/zinc/22/11/40/291221140.db2.gz YEVLBTAVSAAFDW-KRWDZBQOSA-N 1 2 411.483 2.742 40 0 biogenic,in-vitro HFABLO CC(=O)N1CCCN(C(=O)c2sc3ccccc3c2[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000072356292 519527362 /nfs/dbraw/zinc/52/73/62/519527362.db2.gz YDWMSKWFHBDLLB-KRWDZBQOSA-N 1 2 401.532 2.599 40 0 HFABLO CC(=O)N1CCCN(C(=O)c2sc3ccccc3c2[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000072356292 519527369 /nfs/dbraw/zinc/52/73/69/519527369.db2.gz YDWMSKWFHBDLLB-KRWDZBQOSA-N 1 2 401.532 2.599 40 0 HFABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000035877095 557646908 /nfs/dbraw/zinc/64/69/08/557646908.db2.gz YFJVTDOSLWIELC-WCIQWLHISA-N 1 2 408.429 2.669 40 0 HFABLO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000035877095 557646911 /nfs/dbraw/zinc/64/69/11/557646911.db2.gz YFJVTDOSLWIELC-WCIQWLHISA-N 1 2 408.429 2.669 40 0 HFABLO Cc1[nH]c2ccc(NC(=O)Cn3cccc(C(=O)NC4CCCCC4)c3=O)cc2[nH+]1 ZINC000019749967 558270157 /nfs/dbraw/zinc/27/01/57/558270157.db2.gz SNBOVTGSPYZQLX-UHFFFAOYSA-N 1 2 407.474 2.734 40 0 HFABLO COCCCN1C[NH+]=C2N[C@@H](c3cccc(OC)c3)n3c4ccccc4nc3N2C1 ZINC000019960458 558315569 /nfs/dbraw/zinc/31/55/69/558315569.db2.gz LGSSKEIUPWIZQX-HXUWFJFHSA-N 1 2 406.490 2.625 40 0 HFABLO CC(C)(C)C1=NN(CC(=O)NCCc2c[nH+]c[nH]2)C(=O)c2cc3ccccc3n2C1 ZINC000012116517 558328584 /nfs/dbraw/zinc/32/85/84/558328584.db2.gz JKYCMUDWUAYHCR-UHFFFAOYSA-N 1 2 406.490 2.581 40 0 HFABLO CC(C)(C)C1=NN(CC(=O)NCCc2c[nH]c[nH+]2)C(=O)c2cc3ccccc3n2C1 ZINC000012116517 558328586 /nfs/dbraw/zinc/32/85/86/558328586.db2.gz JKYCMUDWUAYHCR-UHFFFAOYSA-N 1 2 406.490 2.581 40 0 HFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127815 558331589 /nfs/dbraw/zinc/33/15/89/558331589.db2.gz QGUJUGXBPFNSCM-OAHLLOKOSA-N 1 2 421.457 2.987 40 0 HFABLO Cc1cc(-c2cncnc2[C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127815 558331593 /nfs/dbraw/zinc/33/15/93/558331593.db2.gz QGUJUGXBPFNSCM-OAHLLOKOSA-N 1 2 421.457 2.987 40 0 HFABLO CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020673992 558399081 /nfs/dbraw/zinc/39/90/81/558399081.db2.gz YUYQWFLWLDNHMV-OAHLLOKOSA-N 1 2 410.478 2.512 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)CC1 ZINC000037093222 558507193 /nfs/dbraw/zinc/50/71/93/558507193.db2.gz BFSRCTXBYDUCKW-UHFFFAOYSA-N 1 2 411.886 2.668 40 0 HFABLO Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000019124313 558844240 /nfs/dbraw/zinc/84/42/40/558844240.db2.gz PDGZNRYCXRQXTJ-CALCHBBNSA-N 1 2 421.501 2.832 40 0 HFABLO Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)on1 ZINC000019124313 558844243 /nfs/dbraw/zinc/84/42/43/558844243.db2.gz PDGZNRYCXRQXTJ-CALCHBBNSA-N 1 2 421.501 2.832 40 0 HFABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@H]3CCC[N@@H+]3Cc3cccs3)nc2C1 ZINC000019343458 558872450 /nfs/dbraw/zinc/87/24/50/558872450.db2.gz AEXGTLCZNXJFDE-LJQANCHMSA-N 1 2 421.526 2.762 40 0 HFABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3cccs3)nc2C1 ZINC000019343458 558872452 /nfs/dbraw/zinc/87/24/52/558872452.db2.gz AEXGTLCZNXJFDE-LJQANCHMSA-N 1 2 421.526 2.762 40 0 HFABLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F ZINC000057823190 558891283 /nfs/dbraw/zinc/89/12/83/558891283.db2.gz OVSHOCDMLDDKAO-LJQANCHMSA-N 1 2 405.495 2.534 40 0 HFABLO CCc1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cn1 ZINC000019523378 558904718 /nfs/dbraw/zinc/90/47/18/558904718.db2.gz SOZDEZCGQXFZGC-KRWDZBQOSA-N 1 2 420.517 2.910 40 0 HFABLO CCc1ncc(C[N@H+]2CCC[C@H](C(=O)c3cnn(-c4ccc(OC)cc4)c3N)C2)cn1 ZINC000019523378 558904720 /nfs/dbraw/zinc/90/47/20/558904720.db2.gz SOZDEZCGQXFZGC-KRWDZBQOSA-N 1 2 420.517 2.910 40 0 HFABLO CCc1ncc(C[N@@H+]2CCC[C@@H]2C(=O)c2cnn(-c3ccc(OC)cc3)c2N)cn1 ZINC000019523401 558904732 /nfs/dbraw/zinc/90/47/32/558904732.db2.gz XSJFAYJJZLYCCR-LJQANCHMSA-N 1 2 406.490 2.663 40 0 HFABLO CCc1ncc(C[N@H+]2CCC[C@@H]2C(=O)c2cnn(-c3ccc(OC)cc3)c2N)cn1 ZINC000019523401 558904734 /nfs/dbraw/zinc/90/47/34/558904734.db2.gz XSJFAYJJZLYCCR-LJQANCHMSA-N 1 2 406.490 2.663 40 0 HFABLO COc1cccc([C@@H](NC(=O)c2cc(-c3cnn(C)c3C)on2)c2[nH+]ccn2C)c1 ZINC000019554096 558917217 /nfs/dbraw/zinc/91/72/17/558917217.db2.gz PURXKKIEBAVNHI-LJQANCHMSA-N 1 2 406.446 2.645 40 0 HFABLO Cc1sc2c([C@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)[nH+]c(C)n2c1C ZINC000019561740 558922632 /nfs/dbraw/zinc/92/26/32/558922632.db2.gz RDDWGISNXPFTJL-HNNXBMFYSA-N 1 2 407.565 2.931 40 0 HFABLO CC(=O)NCC(=O)N1CCC[C@H](c2cc(Oc3ccc(NC(C)=O)cc3)cc(C)[nH+]2)C1 ZINC000019570143 558928913 /nfs/dbraw/zinc/92/89/13/558928913.db2.gz LXEOQFVKSUTHOC-SFHVURJKSA-N 1 2 424.501 2.983 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5CCC(C)CC5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335635 558936595 /nfs/dbraw/zinc/93/65/95/558936595.db2.gz JVGHCHSHVNKUSE-UHFFFAOYSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5CCC(C)CC5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335635 558936599 /nfs/dbraw/zinc/93/65/99/558936599.db2.gz JVGHCHSHVNKUSE-UHFFFAOYSA-N 1 2 420.513 2.979 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(Oc4cnccn4)CC3)sc2c1 ZINC000019658019 558949973 /nfs/dbraw/zinc/94/99/73/558949973.db2.gz DBECEWGXCIDUGD-UHFFFAOYSA-N 1 2 413.503 2.967 40 0 HFABLO COc1ccc2cc(C[NH2+]c3ccc(N4CCN(C(C)=O)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396121 558974939 /nfs/dbraw/zinc/97/49/39/558974939.db2.gz VZGJOFBVMCATOJ-UHFFFAOYSA-N 1 2 406.486 2.817 40 0 HFABLO CCCc1ccc(C(=O)N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3CC2)cc1 ZINC000096254913 559105844 /nfs/dbraw/zinc/10/58/44/559105844.db2.gz NBGBAOATOYDATE-UHFFFAOYSA-N 1 2 423.561 2.573 40 0 HFABLO O=C1C[C@@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000104346102 559160521 /nfs/dbraw/zinc/16/05/21/559160521.db2.gz JZBNXJKJIAPSMI-CQSZACIVSA-N 1 2 418.799 2.830 40 0 HFABLO O=C(CCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)NCCCn1cc[nH+]c1 ZINC000033589898 559217069 /nfs/dbraw/zinc/21/70/69/559217069.db2.gz QGBXLROPDDMGTO-VBKFSLOCSA-N 1 2 402.451 2.655 40 0 HFABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000890309 560542388 /nfs/dbraw/zinc/54/23/88/560542388.db2.gz XPEYDBYSIXXQGV-NRFANRHFSA-N 1 2 416.485 2.757 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502176 560873796 /nfs/dbraw/zinc/87/37/96/560873796.db2.gz KKYRICWKTWJNLC-VKDGWMQASA-N 1 2 422.481 2.944 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020139856 560881146 /nfs/dbraw/zinc/88/11/46/560881146.db2.gz IDFKPWQEKITJIL-KRWDZBQOSA-N 1 2 400.527 2.816 40 0 HFABLO O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(NCCC[NH+]3CCOCC3)ncc21 ZINC000020555742 568455829 /nfs/dbraw/zinc/45/58/29/568455829.db2.gz VGTGGROADDTJJS-OAHLLOKOSA-N 1 2 402.445 2.802 40 0 HFABLO CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223136280 568538998 /nfs/dbraw/zinc/53/89/98/568538998.db2.gz DGMHQFSUJGIAIX-NHCUHLMSSA-N 1 2 413.591 2.825 40 0 HFABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000224241714 568574990 /nfs/dbraw/zinc/57/49/90/568574990.db2.gz YLEMORXMHCVZBY-UHFFFAOYSA-N 1 2 421.950 2.861 40 0 HFABLO Cc1ccc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000224490890 568582710 /nfs/dbraw/zinc/58/27/10/568582710.db2.gz WWKFTKZVOMUBJQ-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COC ZINC000224688856 568592307 /nfs/dbraw/zinc/59/23/07/568592307.db2.gz XRIPYZXIRVTIBF-UHFFFAOYSA-N 1 2 412.486 2.918 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000257203332 568777209 /nfs/dbraw/zinc/77/72/09/568777209.db2.gz APORFBLCPNIEID-HXUWFJFHSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000257203332 568777210 /nfs/dbraw/zinc/77/72/10/568777210.db2.gz APORFBLCPNIEID-HXUWFJFHSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1c(CCC(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)nc2cc(Cl)ccc21 ZINC000257221806 568782543 /nfs/dbraw/zinc/78/25/43/568782543.db2.gz DQPBGAMQYAARCU-ROUUACIJSA-N 1 2 401.898 2.580 40 0 HFABLO CCCN1CC[N@H+](CC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257278007 568798031 /nfs/dbraw/zinc/79/80/31/568798031.db2.gz OAJDAKUAJLRNOE-IBGZPJMESA-N 1 2 409.530 2.560 40 0 HFABLO CCCN1CC[N@@H+](CC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257278007 568798032 /nfs/dbraw/zinc/79/80/32/568798032.db2.gz OAJDAKUAJLRNOE-IBGZPJMESA-N 1 2 409.530 2.560 40 0 HFABLO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257279733 568798381 /nfs/dbraw/zinc/79/83/81/568798381.db2.gz OHYDJAWRVWSAED-WRWLIDTKSA-N 1 2 401.898 2.925 40 0 HFABLO COC(=O)c1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261361958 568819272 /nfs/dbraw/zinc/81/92/72/568819272.db2.gz FBRMXACSKMNJNE-IBGZPJMESA-O 1 2 423.474 2.559 40 0 HFABLO COc1cccc(C[N@@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123434 568886567 /nfs/dbraw/zinc/88/65/67/568886567.db2.gz ANABOCNNZPOZIQ-DYESRHJHSA-N 1 2 416.547 2.799 40 0 HFABLO COc1cccc(C[N@H+]2CCO[C@]3(CCCC[C@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123434 568886570 /nfs/dbraw/zinc/88/65/70/568886570.db2.gz ANABOCNNZPOZIQ-DYESRHJHSA-N 1 2 416.547 2.799 40 0 HFABLO CC(C)c1nc2c(s1)C[N@H+](Cc1cccnc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306133393 568895455 /nfs/dbraw/zinc/89/54/55/568895455.db2.gz MKEIRSQMYJHAGJ-UHFFFAOYSA-N 1 2 420.604 2.971 40 0 HFABLO CC(C)c1nc2c(s1)C[N@@H+](Cc1cccnc1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306133393 568895457 /nfs/dbraw/zinc/89/54/57/568895457.db2.gz MKEIRSQMYJHAGJ-UHFFFAOYSA-N 1 2 420.604 2.971 40 0 HFABLO CCN1CCC[C@@]2(C[N@H+](Cc3ccccc3N3CCOCC3)CC(F)(F)C2)C1=O ZINC000306133925 568896179 /nfs/dbraw/zinc/89/61/79/568896179.db2.gz MZMXCQQWVMXUEI-OAQYLSRUSA-N 1 2 407.505 2.993 40 0 HFABLO CCN1CCC[C@@]2(C[N@@H+](Cc3ccccc3N3CCOCC3)CC(F)(F)C2)C1=O ZINC000306133925 568896181 /nfs/dbraw/zinc/89/61/81/568896181.db2.gz MZMXCQQWVMXUEI-OAQYLSRUSA-N 1 2 407.505 2.993 40 0 HFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)C3CC3)C[C@@]23CCN(Cc2cccnc2)C3=O)c1 ZINC000306143395 568905011 /nfs/dbraw/zinc/90/50/11/568905011.db2.gz YBDPAOQSQQQUKA-XXBNENTESA-N 1 2 407.518 2.614 40 0 HFABLO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000102073615 568937067 /nfs/dbraw/zinc/93/70/67/568937067.db2.gz MSAVAZBLLNMDPI-DOTOQJQBSA-N 1 2 423.439 2.940 40 0 HFABLO OCCNc1nc(NCc2cccs2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329024822 568973314 /nfs/dbraw/zinc/97/33/14/568973314.db2.gz PCAQZDAPHWUCKQ-UHFFFAOYSA-N 1 2 410.421 2.964 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329034359 568973989 /nfs/dbraw/zinc/97/39/89/568973989.db2.gz QYOZPIVFSATKEG-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@H+](Cc3cn(C)nc3C)CCO2)cc1 ZINC000019692800 569346218 /nfs/dbraw/zinc/34/62/18/569346218.db2.gz TWKBREMBKIRZEE-NRFANRHFSA-N 1 2 422.533 2.834 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2C[N@@H+](Cc3cn(C)nc3C)CCO2)cc1 ZINC000019692800 569346219 /nfs/dbraw/zinc/34/62/19/569346219.db2.gz TWKBREMBKIRZEE-NRFANRHFSA-N 1 2 422.533 2.834 40 0 HFABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C)CC2=O ZINC000253403006 569365674 /nfs/dbraw/zinc/36/56/74/569365674.db2.gz PGRUXYPAEGYDQA-BZANDQRCSA-N 1 2 413.562 2.790 40 0 HFABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](C)CC2=O ZINC000253403006 569365676 /nfs/dbraw/zinc/36/56/76/569365676.db2.gz PGRUXYPAEGYDQA-BZANDQRCSA-N 1 2 413.562 2.790 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261363481 569413588 /nfs/dbraw/zinc/41/35/88/569413588.db2.gz SRLPFYVQNHDWOC-SFHVURJKSA-O 1 2 413.479 2.944 40 0 HFABLO C[C@@H](CO)Nc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000328983727 571310317 /nfs/dbraw/zinc/31/03/17/571310317.db2.gz HJJTWSWQYDWOFO-KRWDZBQOSA-N 1 2 405.502 3.517 40 0 HFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000019823741 520688851 /nfs/dbraw/zinc/68/88/51/520688851.db2.gz WCKMETPGJCUKRI-UHFFFAOYSA-N 1 2 416.591 2.645 40 0 HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1C(F)(F)F)CC(=O)N2 ZINC000019974106 527555541 /nfs/dbraw/zinc/55/55/41/527555541.db2.gz DCPSVDCQAGOQQW-JTQLQIEISA-N 1 2 420.395 2.742 40 0 HFABLO Cc1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cl)cc1 ZINC000408627482 557560838 /nfs/dbraw/zinc/56/08/38/557560838.db2.gz ZZYFKKMHPGPWLP-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1 ZINC000012113689 558327127 /nfs/dbraw/zinc/32/71/27/558327127.db2.gz CGYCOQURUBPXHI-UHFFFAOYSA-N 1 2 409.534 2.781 40 0 HFABLO CC(C)(C)C1=NN(CC(=O)NCCCn2cc[nH+]c2)C(=O)c2cc3ccccc3n2C1 ZINC000012145903 558337349 /nfs/dbraw/zinc/33/73/49/558337349.db2.gz FKBQRRMDBXEDDK-UHFFFAOYSA-N 1 2 420.517 2.902 40 0 HFABLO Cn1c2[nH]c(CCCCCCCCc3[nH]c4ccccc4[nH+]3)nc2c(=O)n(C)c1=O ZINC000013284733 558529148 /nfs/dbraw/zinc/52/91/48/558529148.db2.gz YROFFLLIXZJIPV-UHFFFAOYSA-N 1 2 408.506 2.962 40 0 HFABLO O=C1C[C@@H]([NH+]2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000014944612 558679833 /nfs/dbraw/zinc/67/98/33/558679833.db2.gz XPUDZCBADKOHHX-GOSISDBHSA-N 1 2 424.501 2.885 40 0 HFABLO Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1 ZINC000016740477 558803302 /nfs/dbraw/zinc/80/33/02/558803302.db2.gz FYWHFTZPVULUMF-UHFFFAOYSA-N 1 2 417.535 2.709 40 0 HFABLO Cc1ccc(CN(CCC[NH+]2CCOCC2)Cc2ccc3c(c2)n(C)c(=O)n3C)o1 ZINC000019216436 558850379 /nfs/dbraw/zinc/85/03/79/558850379.db2.gz PNENKOCZJAPJFT-UHFFFAOYSA-N 1 2 412.534 2.503 40 0 HFABLO COc1cccc([C@H](NC(=O)c2cnc(N3CCCCC3)nc2)c2[nH+]ccn2C)c1 ZINC000019291254 558863617 /nfs/dbraw/zinc/86/36/17/558863617.db2.gz DVXDZGKKOLQVPZ-IBGZPJMESA-N 1 2 406.490 2.728 40 0 HFABLO CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@H+]3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450642 558889113 /nfs/dbraw/zinc/88/91/13/558889113.db2.gz XEYUXBVASXOCOL-OAQYLSRUSA-N 1 2 410.518 2.799 40 0 HFABLO CC(=O)N1CCc2c(=O)[nH]c([C@H]3CCC[N@@H+]3Cc3ccc(OC(C)C)cc3)nc2C1 ZINC000019450642 558889115 /nfs/dbraw/zinc/88/91/15/558889115.db2.gz XEYUXBVASXOCOL-OAQYLSRUSA-N 1 2 410.518 2.799 40 0 HFABLO COc1ccccc1C1(O)CC[NH+](CC(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000057810304 558890768 /nfs/dbraw/zinc/89/07/68/558890768.db2.gz WYSONJAUDHBVFK-UHFFFAOYSA-N 1 2 408.498 2.771 40 0 HFABLO CCc1[nH]c(=O)c(C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1C ZINC000019521449 558902588 /nfs/dbraw/zinc/90/25/88/558902588.db2.gz MQYYVZLYKBKZMH-UHFFFAOYSA-N 1 2 403.910 2.736 40 0 HFABLO CCc1ncc(C[N@@H+]2CCC[C@H]2C(=O)c2cnn(-c3ccc(OC)cc3)c2N)cn1 ZINC000019523402 558904641 /nfs/dbraw/zinc/90/46/41/558904641.db2.gz XSJFAYJJZLYCCR-IBGZPJMESA-N 1 2 406.490 2.663 40 0 HFABLO CCc1ncc(C[N@H+]2CCC[C@H]2C(=O)c2cnn(-c3ccc(OC)cc3)c2N)cn1 ZINC000019523402 558904643 /nfs/dbraw/zinc/90/46/43/558904643.db2.gz XSJFAYJJZLYCCR-IBGZPJMESA-N 1 2 406.490 2.663 40 0 HFABLO COc1ccc(N2C[C@H](C(=O)Nc3ccccc3C[NH+]3CCOCC3)CC2=O)cc1 ZINC000019556368 558918903 /nfs/dbraw/zinc/91/89/03/558918903.db2.gz SWAXMLPBVQRLHD-GOSISDBHSA-N 1 2 409.486 2.519 40 0 HFABLO Cc1c(C(=O)NC2CC2)sc2nc3n(c(=O)c12)CC[N@H+](Cc1ccccc1)CC3 ZINC000019565175 558925281 /nfs/dbraw/zinc/92/52/81/558925281.db2.gz RNKVEDAAIKJZLG-UHFFFAOYSA-N 1 2 408.527 2.717 40 0 HFABLO Cc1c(C(=O)NC2CC2)sc2nc3n(c(=O)c12)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019565175 558925284 /nfs/dbraw/zinc/92/52/84/558925284.db2.gz RNKVEDAAIKJZLG-UHFFFAOYSA-N 1 2 408.527 2.717 40 0 HFABLO CC(C)(C)c1[nH]c2ccc(NC(=O)COc3nsnc3N3CCOCC3)cc2[nH+]1 ZINC000019655173 558948679 /nfs/dbraw/zinc/94/86/79/558948679.db2.gz YBXLSLYPSHVUHJ-UHFFFAOYSA-N 1 2 416.507 2.566 40 0 HFABLO Cc1ccc(CNC(=O)[C@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)o1 ZINC000096147269 559098376 /nfs/dbraw/zinc/09/83/76/559098376.db2.gz JDYOFQMXDVFJGO-HXUWFJFHSA-N 1 2 407.474 2.816 40 0 HFABLO CCC1=NC2(CCC(C(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)C(=O)N1CC1CC1 ZINC000096261383 559106177 /nfs/dbraw/zinc/10/61/77/559106177.db2.gz ZMAHISXTIYNVPT-UHFFFAOYSA-N 1 2 423.561 2.720 40 0 HFABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000017088318 559122626 /nfs/dbraw/zinc/12/26/26/559122626.db2.gz FASZCZVXWITKSB-UHFFFAOYSA-N 1 2 409.538 2.540 40 0 HFABLO O=C1C[C@H]([NH+]2CCN(c3nc4ccccc4s3)CC2)C(=O)N1Cc1ccc(F)cc1 ZINC000100199371 559131793 /nfs/dbraw/zinc/13/17/93/559131793.db2.gz XPUDZCBADKOHHX-SFHVURJKSA-N 1 2 424.501 2.885 40 0 HFABLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)cn1 ZINC000514290183 560030313 /nfs/dbraw/zinc/03/03/13/560030313.db2.gz URPBRGDCLNHFHG-IRFCIJBXSA-N 1 2 402.564 2.855 40 0 biogenic,in-vitro HFABLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2cccs2)cn1 ZINC000514290183 560030315 /nfs/dbraw/zinc/03/03/15/560030315.db2.gz URPBRGDCLNHFHG-IRFCIJBXSA-N 1 2 402.564 2.855 40 0 biogenic,in-vitro HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000000889137 560542287 /nfs/dbraw/zinc/54/22/87/560542287.db2.gz ZCZKXOGEXVBTDF-WIYYLYMNSA-N 1 2 422.533 2.967 40 0 HFABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848171 560609813 /nfs/dbraw/zinc/60/98/13/560609813.db2.gz MVSOYSMBEMEIAT-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000004848171 560609815 /nfs/dbraw/zinc/60/98/15/560609815.db2.gz MVSOYSMBEMEIAT-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO COC(=O)c1c2c(sc1NC(=O)c1cc(OC)c(OC)c(OC)c1)C[N@@H+](C)CC2 ZINC000004223497 560735309 /nfs/dbraw/zinc/73/53/09/560735309.db2.gz GQCPTHKEIQKBDA-UHFFFAOYSA-N 1 2 420.487 2.801 40 0 HFABLO COC(=O)c1c2c(sc1NC(=O)c1cc(OC)c(OC)c(OC)c1)C[N@H+](C)CC2 ZINC000004223497 560735311 /nfs/dbraw/zinc/73/53/11/560735311.db2.gz GQCPTHKEIQKBDA-UHFFFAOYSA-N 1 2 420.487 2.801 40 0 HFABLO Cc1ccccc1-c1cc(=O)[nH]c(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000014608504 560847440 /nfs/dbraw/zinc/84/74/40/560847440.db2.gz FWNDTWFFNVDEQR-UHFFFAOYSA-N 1 2 404.470 2.796 40 0 HFABLO Cc1ccc(-n2c3c(cc(C(=O)N4CC[NH+](C)CC4)c2=O)C(=O)CC(C)(C)C3)cc1 ZINC000019213351 560872028 /nfs/dbraw/zinc/87/20/28/560872028.db2.gz NRPDKPYDZDOCFT-UHFFFAOYSA-N 1 2 407.514 2.689 40 0 HFABLO COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3N2)c1 ZINC000019589798 560874362 /nfs/dbraw/zinc/87/43/62/560874362.db2.gz ZEQDEYDJGZPGBA-IRXDYDNUSA-N 1 2 423.439 2.940 40 0 HFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000019529712 560874995 /nfs/dbraw/zinc/87/49/95/560874995.db2.gz DZZMEVXEULESIY-CMCWBKRRSA-N 1 2 422.481 2.776 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150878 560881718 /nfs/dbraw/zinc/88/17/18/560881718.db2.gz TXXMQEGAHWSIIN-WYADAEROSA-N 1 2 412.511 2.558 40 0 HFABLO Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)cc1 ZINC000224263396 568575741 /nfs/dbraw/zinc/57/57/41/568575741.db2.gz QROOOCFUYHTAOI-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO CN(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224415866 568580696 /nfs/dbraw/zinc/58/06/96/568580696.db2.gz DBHAUKRHVLHLLL-UHFFFAOYSA-N 1 2 412.515 2.524 40 0 HFABLO Cc1ccc(NC(=O)Cc2cccc(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225451504 568639046 /nfs/dbraw/zinc/63/90/46/568639046.db2.gz NMJJDPIUWPOTEC-UHFFFAOYSA-N 1 2 421.950 2.766 40 0 HFABLO CCn1c2ccc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000225689202 568664582 /nfs/dbraw/zinc/66/45/82/568664582.db2.gz DDSONYGCDOOOHS-UHFFFAOYSA-N 1 2 417.556 2.589 40 0 HFABLO CN(C)C(=O)c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225778894 568674104 /nfs/dbraw/zinc/67/41/04/568674104.db2.gz PGGKNMYFPXPWLK-UHFFFAOYSA-N 1 2 412.559 2.707 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1O ZINC000257222754 568782823 /nfs/dbraw/zinc/78/28/23/568782823.db2.gz DUOZTVHMHNHWGH-NRFANRHFSA-N 1 2 420.893 2.580 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1O ZINC000257222754 568782824 /nfs/dbraw/zinc/78/28/24/568782824.db2.gz DUOZTVHMHNHWGH-NRFANRHFSA-N 1 2 420.893 2.580 40 0 HFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250017 568790317 /nfs/dbraw/zinc/79/03/17/568790317.db2.gz JKRFBEOBSKKKLW-JOCHJYFZSA-N 1 2 413.497 2.796 40 0 HFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(CCOc3ccccc3F)n(C)n2)C1 ZINC000257250017 568790319 /nfs/dbraw/zinc/79/03/19/568790319.db2.gz JKRFBEOBSKKKLW-JOCHJYFZSA-N 1 2 413.497 2.796 40 0 HFABLO COc1ccc([C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CCN2C(C)=O)cc1 ZINC000257330472 568813184 /nfs/dbraw/zinc/81/31/84/568813184.db2.gz XOOWFVXSGALSET-HSZRJFAPSA-N 1 2 418.497 2.986 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccccn5)CCN4C)nnn3c2)cn1 ZINC000306129293 568891919 /nfs/dbraw/zinc/89/19/19/568891919.db2.gz HZWRHQZGRQJXLB-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccccn5)CCN4C)nnn3c2)cn1 ZINC000306129293 568891920 /nfs/dbraw/zinc/89/19/20/568891920.db2.gz HZWRHQZGRQJXLB-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccc(C)o4)CC2)C[N@@H+](C)C3)cc1 ZINC000306136642 568898467 /nfs/dbraw/zinc/89/84/67/568898467.db2.gz PZCPSYADFJEARF-UHFFFAOYSA-N 1 2 421.501 2.932 40 0 HFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccc(C)o4)CC2)C[N@H+](C)C3)cc1 ZINC000306136642 568898470 /nfs/dbraw/zinc/89/84/70/568898470.db2.gz PZCPSYADFJEARF-UHFFFAOYSA-N 1 2 421.501 2.932 40 0 HFABLO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306139222 568901109 /nfs/dbraw/zinc/90/11/09/568901109.db2.gz SSMCGJBMVBQWGP-APWZRJJASA-N 1 2 400.529 2.607 40 0 HFABLO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)c1cc(-c3cnn(C)c3)ccc1S2(=O)=O ZINC000306139222 568901110 /nfs/dbraw/zinc/90/11/10/568901110.db2.gz SSMCGJBMVBQWGP-APWZRJJASA-N 1 2 400.529 2.607 40 0 HFABLO OCCCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329023026 568973266 /nfs/dbraw/zinc/97/32/66/568973266.db2.gz OQRDQYDMQLXNBF-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO COc1ccc([C@@H](c2c(O)cc(C)n(Cc3ccco3)c2=O)[NH+]2CCOCC2)cc1 ZINC000016739853 569046447 /nfs/dbraw/zinc/04/64/47/569046447.db2.gz BGMFNRLZTIYNPU-QFIPXVFZSA-N 1 2 410.470 2.934 40 0 HFABLO COc1cc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc(OC)c1OC ZINC000224355351 569059724 /nfs/dbraw/zinc/05/97/24/569059724.db2.gz URBXLHUQTGDZLY-UHFFFAOYSA-N 1 2 415.494 2.811 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000245230030 569313769 /nfs/dbraw/zinc/31/37/69/569313769.db2.gz KKYRICWKTWJNLC-KTIHBUSBSA-N 1 2 422.481 2.944 40 0 HFABLO Cc1ccc2occ(C[N@@H+]3CCc4nc(N5CCC[C@@H](C)C5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012185131 569344696 /nfs/dbraw/zinc/34/46/96/569344696.db2.gz SVVULVXXTMIBOW-MRXNPFEDSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4nc(N5CCC[C@@H](C)C5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012185131 569344697 /nfs/dbraw/zinc/34/46/97/569344697.db2.gz SVVULVXXTMIBOW-MRXNPFEDSA-N 1 2 420.513 2.979 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(OC)c(O)c(OC)c1 ZINC000261363480 569413480 /nfs/dbraw/zinc/41/34/80/569413480.db2.gz SRLPFYVQNHDWOC-GOSISDBHSA-O 1 2 413.479 2.944 40 0 HFABLO O=C(C[NH+]1CCC(c2cncc(Nc3ccccn3)n2)CC1)Nc1ccccc1F ZINC000585262632 571306033 /nfs/dbraw/zinc/30/60/33/571306033.db2.gz LCIVYDOEINIIEJ-UHFFFAOYSA-N 1 2 406.465 3.572 40 0 HFABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000225400867 291220814 /nfs/dbraw/zinc/22/08/14/291220814.db2.gz SDNPWIAWXYDWFO-FCHUYYIVSA-N 1 2 404.514 2.778 40 0 biogenic,in-vitro HFABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000225400867 291220817 /nfs/dbraw/zinc/22/08/17/291220817.db2.gz SDNPWIAWXYDWFO-FCHUYYIVSA-N 1 2 404.514 2.778 40 0 biogenic,in-vitro HFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529838 291220826 /nfs/dbraw/zinc/22/08/26/291220826.db2.gz NFGUUXXAZRVADV-BBRMVZONSA-N 1 2 400.389 2.977 40 0 biogenic,in-vitro HFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccc(F)cc2F)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529838 291220830 /nfs/dbraw/zinc/22/08/30/291220830.db2.gz NFGUUXXAZRVADV-BBRMVZONSA-N 1 2 400.389 2.977 40 0 biogenic,in-vitro HFABLO CNc1nc(N2CCN(c3cccc[nH+]3)CC2)nc2c1C(=O)C[C@H](c1ccco1)C2 ZINC000009937746 132344361 /nfs/dbraw/zinc/34/43/61/132344361.db2.gz FHZQVJXCMLWGQP-OAHLLOKOSA-N 1 2 404.474 2.746 40 0 HFABLO Cc1cc(N2CCN(C(=O)c3cc(-c4cnn(C)c4)on3)CC2)[nH+]c2ccccc12 ZINC000019118973 132466356 /nfs/dbraw/zinc/46/63/56/132466356.db2.gz BGCCRUSFYIIJMM-UHFFFAOYSA-N 1 2 402.458 2.894 40 0 HFABLO CCOc1cc([C@@H]2C(C(=O)NCc3ccccc3)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408558012 557454984 /nfs/dbraw/zinc/45/49/84/557454984.db2.gz RKJRJQLKRZOQDH-HXUWFJFHSA-N 1 2 405.458 2.641 40 0 HFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3cccc(F)c3)CC2)c(OC)c1 ZINC000035313261 557689039 /nfs/dbraw/zinc/68/90/39/557689039.db2.gz LDLUZHFZEHVCGS-UHFFFAOYSA-N 1 2 415.465 2.676 40 0 HFABLO CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408706032 557732058 /nfs/dbraw/zinc/73/20/58/557732058.db2.gz TWVMWRKKXSJXRF-HXUWFJFHSA-N 1 2 412.486 2.926 40 0 HFABLO CN(CCc1ccccn1)C(=O)[C@H]1C[N@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000019745260 558266074 /nfs/dbraw/zinc/26/60/74/558266074.db2.gz IYHKGPZIOQSHDP-JOCHJYFZSA-N 1 2 410.493 2.614 40 0 HFABLO CN(CCc1ccccn1)C(=O)[C@H]1C[N@@H+](Cc2cn(C)c3ccc(F)cc23)CCO1 ZINC000019745260 558266075 /nfs/dbraw/zinc/26/60/75/558266075.db2.gz IYHKGPZIOQSHDP-JOCHJYFZSA-N 1 2 410.493 2.614 40 0 HFABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(=O)n(CC(=O)N4CCCCC4)c3)ccc21 ZINC000019750902 558270978 /nfs/dbraw/zinc/27/09/78/558270978.db2.gz LMQDWHWTGOKXAE-UHFFFAOYSA-N 1 2 421.501 2.791 40 0 HFABLO O=C(c1cc([C@H]2C[N@H+](Cc3ccncc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759332 558275825 /nfs/dbraw/zinc/27/58/25/558275825.db2.gz HXWHTTPLJFNAAF-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759332 558275829 /nfs/dbraw/zinc/27/58/29/558275829.db2.gz HXWHTTPLJFNAAF-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO Cc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1 ZINC000019931498 558310293 /nfs/dbraw/zinc/31/02/93/558310293.db2.gz BYUDOLOTJPXVJM-QGZVFWFLSA-N 1 2 412.515 2.652 40 0 HFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1OCC ZINC000020801752 558415601 /nfs/dbraw/zinc/41/56/01/558415601.db2.gz UTNCZXYGWCPGBY-SFTDATJTSA-N 1 2 421.497 2.850 40 0 HFABLO COc1ccc(SCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022526950 558496059 /nfs/dbraw/zinc/49/60/59/558496059.db2.gz AQCGNPKMKIVDFW-UHFFFAOYSA-N 1 2 400.500 2.860 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)CC1 ZINC000037093214 558507207 /nfs/dbraw/zinc/50/72/07/558507207.db2.gz FIFILKWHNSGATE-UHFFFAOYSA-N 1 2 411.886 2.668 40 0 HFABLO COc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000029259252 558712557 /nfs/dbraw/zinc/71/25/57/558712557.db2.gz TUGIXZOVIXOUMV-UHFFFAOYSA-N 1 2 404.532 2.623 40 0 HFABLO Cc1ccc2occ(C[NH+]3CCC4(CC3)NC(=O)c3cccnc3N4C)c(=O)c2c1 ZINC000019219829 558851455 /nfs/dbraw/zinc/85/14/55/558851455.db2.gz HCDKLWLNJOYABL-UHFFFAOYSA-N 1 2 404.470 2.668 40 0 HFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4cccc(S(N)(=O)=O)c4)C3)[nH+]c(C)n12 ZINC000019240437 558859013 /nfs/dbraw/zinc/85/90/13/558859013.db2.gz IYAYYHRFYJTQFC-OAHLLOKOSA-N 1 2 418.544 2.680 40 0 HFABLO COCCN1Cc2cccc(C(=O)N[C@H](c3[nH+]ccn3C)c3ccc(F)cc3)c2C1=O ZINC000019291210 558863528 /nfs/dbraw/zinc/86/35/28/558863528.db2.gz TZDYFKMTSBJCEC-FQEVSTJZSA-N 1 2 422.460 2.681 40 0 HFABLO COc1cccc([C@H]2NC3=[NH+]CN(C[C@@H]4CCCO4)CN3c3nc4ccccc4n32)c1 ZINC000054123582 558866295 /nfs/dbraw/zinc/86/62/95/558866295.db2.gz AIIXHUUGFGMJPJ-RXVVDRJESA-N 1 2 418.501 2.767 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000019497572 558896361 /nfs/dbraw/zinc/89/63/61/558896361.db2.gz MRXOEPRHXRXYEB-IYBDPMFKSA-N 1 2 408.502 2.630 40 0 HFABLO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000019497572 558896363 /nfs/dbraw/zinc/89/63/63/558896363.db2.gz MRXOEPRHXRXYEB-IYBDPMFKSA-N 1 2 408.502 2.630 40 0 HFABLO CCn1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cn1 ZINC000019525079 558906441 /nfs/dbraw/zinc/90/64/41/558906441.db2.gz SGACRWNTJUZODJ-UHFFFAOYSA-N 1 2 410.543 2.999 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555612 558918438 /nfs/dbraw/zinc/91/84/38/558918438.db2.gz NWDDAEWGEJPYOH-GOSISDBHSA-N 1 2 422.529 2.865 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555612 558918439 /nfs/dbraw/zinc/91/84/39/558918439.db2.gz NWDDAEWGEJPYOH-GOSISDBHSA-N 1 2 422.529 2.865 40 0 HFABLO Cc1cc(C)n(Cc2cc(C(=O)NC[C@@H](C)[NH+]3CCOCC3)c3ccccc3n2)n1 ZINC000019574376 558931971 /nfs/dbraw/zinc/93/19/71/558931971.db2.gz RYNFMXSSLOCVDZ-GOSISDBHSA-N 1 2 407.518 2.547 40 0 HFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335622 558936667 /nfs/dbraw/zinc/93/66/67/558936667.db2.gz TYWMKVGLEXZPBL-HNNXBMFYSA-N 1 2 406.486 2.671 40 0 HFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335622 558936670 /nfs/dbraw/zinc/93/66/70/558936670.db2.gz TYWMKVGLEXZPBL-HNNXBMFYSA-N 1 2 406.486 2.671 40 0 HFABLO CN(C)c1nc2ccccc2cc1CN1CCc2c(N)nc(N3CCCC3)[nH+]c2C1 ZINC000019584075 558938329 /nfs/dbraw/zinc/93/83/29/558938329.db2.gz BXGHPBZYFOPCBM-UHFFFAOYSA-N 1 2 403.534 2.832 40 0 HFABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000019584075 558938330 /nfs/dbraw/zinc/93/83/30/558938330.db2.gz BXGHPBZYFOPCBM-UHFFFAOYSA-N 1 2 403.534 2.832 40 0 HFABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000019584075 558938332 /nfs/dbraw/zinc/93/83/32/558938332.db2.gz BXGHPBZYFOPCBM-UHFFFAOYSA-N 1 2 403.534 2.832 40 0 HFABLO Cc1[nH+]c2cc(NC(=O)CN(C)[C@@H]3CCS(=O)(=O)C3)ccc2n1C1CCCCC1 ZINC000019655228 558948621 /nfs/dbraw/zinc/94/86/21/558948621.db2.gz AOSICPPGPYVCPG-GOSISDBHSA-N 1 2 418.563 2.907 40 0 HFABLO Cc1nn(C)c2nc(C)cc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)c12 ZINC000019716313 558978159 /nfs/dbraw/zinc/97/81/59/558978159.db2.gz DNOVOMQIQSHAEF-FQEVSTJZSA-N 1 2 407.518 2.697 40 0 HFABLO Cc1cc(N)n(-c2ccc(C(=O)NC[C@@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000019717872 558980922 /nfs/dbraw/zinc/98/09/22/558980922.db2.gz DDIMGGBBHNAECP-QFIPXVFZSA-N 1 2 419.529 2.875 40 0 HFABLO O=C(Nc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096251070 559105168 /nfs/dbraw/zinc/10/51/68/559105168.db2.gz GJCNYAJHELFDRK-QWFCFKBJSA-N 1 2 402.491 2.700 40 0 HFABLO O=C(Nc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@@H]21 ZINC000096251070 559105169 /nfs/dbraw/zinc/10/51/69/559105169.db2.gz GJCNYAJHELFDRK-QWFCFKBJSA-N 1 2 402.491 2.700 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000100427872 559135208 /nfs/dbraw/zinc/13/52/08/559135208.db2.gz OSEWGOBECXGGEX-AIFLQVKLSA-N 1 2 420.509 2.805 40 0 HFABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)N2CCOCC2)C3)c1 ZINC000107704101 559165780 /nfs/dbraw/zinc/16/57/80/559165780.db2.gz OOYSWKKTNFTAPT-LADGPHEKSA-N 1 2 408.498 2.554 40 0 HFABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@H](C(=O)N2CCOCC2)C3)c1 ZINC000107704101 559165782 /nfs/dbraw/zinc/16/57/82/559165782.db2.gz OOYSWKKTNFTAPT-LADGPHEKSA-N 1 2 408.498 2.554 40 0 HFABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889463 560541972 /nfs/dbraw/zinc/54/19/72/560541972.db2.gz VNLXPBZMRNAHOK-NQIIRXRSSA-N 1 2 422.533 2.967 40 0 HFABLO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000001372333 560578126 /nfs/dbraw/zinc/57/81/26/560578126.db2.gz UYRCQCOTHOCAQE-UHFFFAOYSA-N 1 2 414.469 2.787 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212434 560603731 /nfs/dbraw/zinc/60/37/31/560603731.db2.gz TWIATNAZJISXAQ-HXUWFJFHSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@@H+]1CCC[C@H](C)C1 ZINC000004212443 560603773 /nfs/dbraw/zinc/60/37/73/560603773.db2.gz CRTZILDQCPWYLJ-VBKZILBWSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[N@H+]1CCC[C@H](C)C1 ZINC000004212443 560603774 /nfs/dbraw/zinc/60/37/74/560603774.db2.gz CRTZILDQCPWYLJ-VBKZILBWSA-N 1 2 410.522 2.599 40 0 HFABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1ccccc1F ZINC000008810766 560756540 /nfs/dbraw/zinc/75/65/40/560756540.db2.gz AUPDUUMWCAPHBD-UHFFFAOYSA-N 1 2 420.441 2.782 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(CC)C(=O)[C@@H]21 ZINC000012635484 560783238 /nfs/dbraw/zinc/78/32/38/560783238.db2.gz OSEWGOBECXGGEX-UWHHFBIGSA-N 1 2 420.509 2.805 40 0 HFABLO O=C(NCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000013968584 560831277 /nfs/dbraw/zinc/83/12/77/560831277.db2.gz ZUIWSHRJWJXDJO-UEQSERJNSA-N 1 2 417.553 2.854 40 0 HFABLO NC(=O)C1CC[NH+]([C@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000057671884 568493703 /nfs/dbraw/zinc/49/37/03/568493703.db2.gz HDPAMCOADLKNEX-FQEVSTJZSA-N 1 2 424.936 2.856 40 0 HFABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2cc1C ZINC000057589941 568493816 /nfs/dbraw/zinc/49/38/16/568493816.db2.gz LMQNBSJYJDGNEH-OAQYLSRUSA-N 1 2 422.533 2.793 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2cccc(C(=O)NCc3cccc4ccccc43)c2)CC1 ZINC000222880643 568529431 /nfs/dbraw/zinc/52/94/31/568529431.db2.gz RCGSHSUCOXCXQE-UHFFFAOYSA-N 1 2 423.538 2.706 40 0 HFABLO Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCC[NH+]4CCOCC4)ccc32)c1 ZINC000223085656 568537039 /nfs/dbraw/zinc/53/70/39/568537039.db2.gz JXAUDVFNEWIRMD-UHFFFAOYSA-N 1 2 407.514 2.650 40 0 HFABLO Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000224125595 568570827 /nfs/dbraw/zinc/57/08/27/568570827.db2.gz DJNOJZGXULUFOI-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225507973 568644667 /nfs/dbraw/zinc/64/46/67/568644667.db2.gz ZREJKUHCYYGARS-IBGZPJMESA-N 1 2 424.526 2.589 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 ZINC000257224602 568783290 /nfs/dbraw/zinc/78/32/90/568783290.db2.gz FCNABSNOBQEGJB-UHFFFAOYSA-N 1 2 409.530 2.536 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000257245902 568789026 /nfs/dbraw/zinc/78/90/26/568789026.db2.gz IRPBBBRCMKUVSH-FQEVSTJZSA-N 1 2 403.433 2.616 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000257245902 568789028 /nfs/dbraw/zinc/78/90/28/568789028.db2.gz IRPBBBRCMKUVSH-FQEVSTJZSA-N 1 2 403.433 2.616 40 0 HFABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257302768 568805276 /nfs/dbraw/zinc/80/52/76/568805276.db2.gz SEHAENBJAGZDPD-UNMCSNQZSA-N 1 2 402.466 2.986 40 0 HFABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 ZINC000257302768 568805277 /nfs/dbraw/zinc/80/52/77/568805277.db2.gz SEHAENBJAGZDPD-UNMCSNQZSA-N 1 2 402.466 2.986 40 0 HFABLO Cn1ccc(NC(=O)C[N@@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257330051 568813234 /nfs/dbraw/zinc/81/32/34/568813234.db2.gz XMONPYJZXNOIDG-SPEDKVCISA-N 1 2 413.497 2.762 40 0 HFABLO Cn1ccc(NC(=O)C[N@H+]2[C@H](c3ccc(F)cc3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 ZINC000257330051 568813237 /nfs/dbraw/zinc/81/32/37/568813237.db2.gz XMONPYJZXNOIDG-SPEDKVCISA-N 1 2 413.497 2.762 40 0 HFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126368 568889212 /nfs/dbraw/zinc/88/92/12/568889212.db2.gz DTONCOPZYYSNFR-WMZHIEFXSA-N 1 2 407.518 2.727 40 0 HFABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@H+](Cc4cnn(C)c4)CCN3C)nnn2c1 ZINC000306128901 568891599 /nfs/dbraw/zinc/89/15/99/568891599.db2.gz HNYNTOZVHKIEIK-NRFANRHFSA-N 1 2 417.517 2.627 40 0 HFABLO COc1ccccc1-c1ccc2c([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCN3C)nnn2c1 ZINC000306128901 568891600 /nfs/dbraw/zinc/89/16/00/568891600.db2.gz HNYNTOZVHKIEIK-NRFANRHFSA-N 1 2 417.517 2.627 40 0 HFABLO COc1ccccc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139711 568901679 /nfs/dbraw/zinc/90/16/79/568901679.db2.gz TYDBTNTYGVKDNL-SIKLNZKXSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccccc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139711 568901682 /nfs/dbraw/zinc/90/16/82/568901682.db2.gz TYDBTNTYGVKDNL-SIKLNZKXSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccncc3)C[C@@H]1S2(=O)=O ZINC000306142157 568903774 /nfs/dbraw/zinc/90/37/74/568903774.db2.gz WRQCDFZSJRLFIT-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1S2(=O)=O ZINC000306142157 568903775 /nfs/dbraw/zinc/90/37/75/568903775.db2.gz WRQCDFZSJRLFIT-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO CC(C)n1cc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144190 568905584 /nfs/dbraw/zinc/90/55/84/568905584.db2.gz YYOFFFHKSJEEFF-PZJWPPBQSA-N 1 2 411.531 2.620 40 0 HFABLO CC(C)n1cc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306144190 568905585 /nfs/dbraw/zinc/90/55/85/568905585.db2.gz YYOFFFHKSJEEFF-PZJWPPBQSA-N 1 2 411.531 2.620 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329030354 568973703 /nfs/dbraw/zinc/97/37/03/568973703.db2.gz QDKQAMLLRSWBPI-GFCCVEGCSA-N 1 2 408.380 2.884 40 0 HFABLO COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000020139569 569326957 /nfs/dbraw/zinc/32/69/57/569326957.db2.gz JGYZDKDCKPRYSN-OAQYLSRUSA-N 1 2 421.549 2.739 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019692805 569346149 /nfs/dbraw/zinc/34/61/49/569346149.db2.gz SOGXQLAWDKRNKV-HXUWFJFHSA-N 1 2 410.497 2.964 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019692805 569346150 /nfs/dbraw/zinc/34/61/50/569346150.db2.gz SOGXQLAWDKRNKV-HXUWFJFHSA-N 1 2 410.497 2.964 40 0 HFABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000019702792 569347514 /nfs/dbraw/zinc/34/75/14/569347514.db2.gz ZYEFTTACAOOSEX-SFHVURJKSA-N 1 2 411.527 2.634 40 0 HFABLO O=C(NCCO)c1sc2ncccc2c1[C@@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000019702792 569347515 /nfs/dbraw/zinc/34/75/15/569347515.db2.gz ZYEFTTACAOOSEX-SFHVURJKSA-N 1 2 411.527 2.634 40 0 HFABLO CCc1ccc([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000042162045 524044888 /nfs/dbraw/zinc/04/48/88/524044888.db2.gz UCBAYLROMNMGBD-KRWDZBQOSA-N 1 2 415.559 2.676 40 0 HFABLO Cc1ccc2cccc(S(=O)(=O)N3CCN(c4[nH]c5ccccc5[nH+]4)CC3)c2n1 ZINC000044443733 526240553 /nfs/dbraw/zinc/24/05/53/526240553.db2.gz PTTNHAWIDWUZGA-UHFFFAOYSA-N 1 2 407.499 2.930 40 0 HFABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889437 557112015 /nfs/dbraw/zinc/11/20/15/557112015.db2.gz BPNSUZUBBSNKOC-FXAWDEMLSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000889112 557112025 /nfs/dbraw/zinc/11/20/25/557112025.db2.gz ZLZUELCOXFCZDS-CDXJDZJCSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000889112 557112028 /nfs/dbraw/zinc/11/20/28/557112028.db2.gz ZLZUELCOXFCZDS-CDXJDZJCSA-N 1 2 422.533 2.823 40 0 HFABLO CCC[C@@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496238 557657742 /nfs/dbraw/zinc/65/77/42/557657742.db2.gz PCUBUZPKKMIXRP-MOUTVQLLSA-N 1 2 413.514 2.521 40 0 HFABLO CCC[C@H]1OC[C@@H](O)[C@H]([C@H](O)C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)O1 ZINC000005496239 557657830 /nfs/dbraw/zinc/65/78/30/557657830.db2.gz PCUBUZPKKMIXRP-UEQSERJNSA-N 1 2 413.514 2.521 40 0 HFABLO COCCCN1C[NH+]=C2N[C@H](c3cccc(OC)c3)n3c4ccccc4nc3N2C1 ZINC000019960462 558315574 /nfs/dbraw/zinc/31/55/74/558315574.db2.gz LGSSKEIUPWIZQX-FQEVSTJZSA-N 1 2 406.490 2.625 40 0 HFABLO CN(C)c1nc2ccccc2cc1C[N@@H+]1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000012132492 558333230 /nfs/dbraw/zinc/33/32/30/558333230.db2.gz DRYVSYRUKHQTFS-UHFFFAOYSA-N 1 2 404.518 2.543 40 0 HFABLO CN(C)c1nc2ccccc2cc1C[N@H+]1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000012132492 558333232 /nfs/dbraw/zinc/33/32/32/558333232.db2.gz DRYVSYRUKHQTFS-UHFFFAOYSA-N 1 2 404.518 2.543 40 0 HFABLO COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020450470 558365290 /nfs/dbraw/zinc/36/52/90/558365290.db2.gz WXQNWEBILHJUJQ-UHFFFAOYSA-N 1 2 414.458 2.575 40 0 HFABLO CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc(C)cc1 ZINC000024040817 558585956 /nfs/dbraw/zinc/58/59/56/558585956.db2.gz ZKJLXPABTBZTKK-NRFANRHFSA-N 1 2 415.559 2.812 40 0 HFABLO CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000055703795 558884063 /nfs/dbraw/zinc/88/40/63/558884063.db2.gz WOVOMYODXNYEFQ-UHFFFAOYSA-N 1 2 419.572 2.987 40 0 HFABLO CCn1c2ccc(NC(=O)C[NH+]3CCC(Oc4cccnc4)CC3)cc2n(CC)c1=O ZINC000019524241 558905485 /nfs/dbraw/zinc/90/54/85/558905485.db2.gz XUILBIGLHRENCN-UHFFFAOYSA-N 1 2 423.517 2.720 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1cccc(F)c1F)CC3 ZINC000019550845 558915343 /nfs/dbraw/zinc/91/53/43/558915343.db2.gz JLTLWAMXHDIBME-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1cccc(F)c1F)CC3 ZINC000019550845 558915344 /nfs/dbraw/zinc/91/53/44/558915344.db2.gz JLTLWAMXHDIBME-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1ccc([C@H](CN(C)C(=O)[C@H]2CC(=O)Nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019585955 558939259 /nfs/dbraw/zinc/93/92/59/558939259.db2.gz NHBSUVQOTUKBCW-UNMCSNQZSA-N 1 2 423.513 2.653 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N[C@H](C)Cc4ccccn4)n2)C[N@H+](C)CC3)CC1 ZINC000072345729 558942273 /nfs/dbraw/zinc/94/22/73/558942273.db2.gz DKIHUBGHXNHZAA-MRXNPFEDSA-N 1 2 408.550 2.629 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N[C@H](C)Cc4ccccn4)n2)C[N@@H+](C)CC3)CC1 ZINC000072345729 558942275 /nfs/dbraw/zinc/94/22/75/558942275.db2.gz DKIHUBGHXNHZAA-MRXNPFEDSA-N 1 2 408.550 2.629 40 0 HFABLO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019591922 558942606 /nfs/dbraw/zinc/94/26/06/558942606.db2.gz IXOKQDHOGRYNQG-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019591922 558942609 /nfs/dbraw/zinc/94/26/09/558942609.db2.gz IXOKQDHOGRYNQG-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019591921 558942630 /nfs/dbraw/zinc/94/26/30/558942630.db2.gz MIFJGUDQVDGMHA-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019591921 558942633 /nfs/dbraw/zinc/94/26/33/558942633.db2.gz MIFJGUDQVDGMHA-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO COCC[NH+]1CCN(C(=O)c2sc3ccccc3c2[C@H]2CCN(C(C)=O)C2)CC1 ZINC000072352622 558949202 /nfs/dbraw/zinc/94/92/02/558949202.db2.gz LHDQUVQVUWIUOH-KRWDZBQOSA-N 1 2 415.559 2.641 40 0 HFABLO Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)cc[nH+]1 ZINC000072370845 558957232 /nfs/dbraw/zinc/95/72/32/558957232.db2.gz HDDFVHCYTFEYET-FQEVSTJZSA-N 1 2 412.453 2.883 40 0 HFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@H+](C)Cc3ccc4nccnc4c3)nc21 ZINC000072380219 558968342 /nfs/dbraw/zinc/96/83/42/558968342.db2.gz LRSHFTNKAHCJKC-UHFFFAOYSA-N 1 2 420.517 2.676 40 0 HFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)Cc3ccc4nccnc4c3)nc21 ZINC000072380219 558968344 /nfs/dbraw/zinc/96/83/44/558968344.db2.gz LRSHFTNKAHCJKC-UHFFFAOYSA-N 1 2 420.517 2.676 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019707815 558969976 /nfs/dbraw/zinc/96/99/76/558969976.db2.gz UVWZKPATCQSYLR-KRWDZBQOSA-N 1 2 411.525 2.984 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019707815 558969979 /nfs/dbraw/zinc/96/99/79/558969979.db2.gz UVWZKPATCQSYLR-KRWDZBQOSA-N 1 2 411.525 2.984 40 0 HFABLO COc1ccc([C@H]2CCCN2C(=O)c2cccc(-n3nnnc3C[NH+](C)C)c2)cc1 ZINC000019717752 558980730 /nfs/dbraw/zinc/98/07/30/558980730.db2.gz BQKFHTMNPCXLMX-HXUWFJFHSA-N 1 2 406.490 2.710 40 0 HFABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096263301 559107075 /nfs/dbraw/zinc/10/70/75/559107075.db2.gz YHZVHIUVUJTMAH-UHFFFAOYSA-N 1 2 418.545 2.680 40 0 HFABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096263301 559107077 /nfs/dbraw/zinc/10/70/77/559107077.db2.gz YHZVHIUVUJTMAH-UHFFFAOYSA-N 1 2 418.545 2.680 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000889103 560542291 /nfs/dbraw/zinc/54/22/91/560542291.db2.gz LBUARMSNENZPGL-PXNSSMCTSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000889104 560542319 /nfs/dbraw/zinc/54/23/19/560542319.db2.gz LBUARMSNENZPGL-FXAWDEMLSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1cc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893964 560543583 /nfs/dbraw/zinc/54/35/83/560543583.db2.gz QKKJOKVFUNTDQD-GHTZIAJQSA-N 1 2 422.533 2.886 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)cc2c1 ZINC000000925769 560556895 /nfs/dbraw/zinc/55/68/95/560556895.db2.gz KFZSVRKBDRLDAU-FQEVSTJZSA-N 1 2 422.533 2.947 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@@H]3CCCO3)C3CCCC3)cc2c1 ZINC000000925769 560556896 /nfs/dbraw/zinc/55/68/96/560556896.db2.gz KFZSVRKBDRLDAU-FQEVSTJZSA-N 1 2 422.533 2.947 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[NH+]1CCCCC1)OCO3 ZINC000004161898 560601941 /nfs/dbraw/zinc/60/19/41/560601941.db2.gz GRNRNYARUXUJQS-FQEVSTJZSA-N 1 2 422.489 2.934 40 0 HFABLO COCCn1nnnc1C[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000004847441 560609424 /nfs/dbraw/zinc/60/94/24/560609424.db2.gz YXVDHXRHBONLDK-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO COCCn1nnnc1C[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 ZINC000004847441 560609425 /nfs/dbraw/zinc/60/94/25/560609425.db2.gz YXVDHXRHBONLDK-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO CCSc1nnc([C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1CC ZINC000005001452 560620098 /nfs/dbraw/zinc/62/00/98/560620098.db2.gz ZXJWJTRBRHOBPN-AWEZNQCLSA-N 1 2 417.535 2.957 40 0 HFABLO CCSc1nnc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1CC ZINC000005001452 560620099 /nfs/dbraw/zinc/62/00/99/560620099.db2.gz ZXJWJTRBRHOBPN-AWEZNQCLSA-N 1 2 417.535 2.957 40 0 HFABLO CCSc1nnc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1CC ZINC000005001451 560620112 /nfs/dbraw/zinc/62/01/12/560620112.db2.gz ZXJWJTRBRHOBPN-CQSZACIVSA-N 1 2 417.535 2.957 40 0 HFABLO CCSc1nnc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)n1CC ZINC000005001451 560620113 /nfs/dbraw/zinc/62/01/13/560620113.db2.gz ZXJWJTRBRHOBPN-CQSZACIVSA-N 1 2 417.535 2.957 40 0 HFABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000014325365 560841368 /nfs/dbraw/zinc/84/13/68/560841368.db2.gz JHDFRRDMLCVQLV-UHFFFAOYSA-N 1 2 410.470 3.000 40 0 HFABLO CCc1nnc(N2CCN(c3[nH+]cnc4c3cnn4Cc3ccccc3)CC2)s1 ZINC000036729325 560884111 /nfs/dbraw/zinc/88/41/11/560884111.db2.gz CCLDDMYRDPBITE-UHFFFAOYSA-N 1 2 406.519 2.615 40 0 HFABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c2c1C ZINC000057589673 568492809 /nfs/dbraw/zinc/49/28/09/568492809.db2.gz YHUUWUOGBLILHD-NRFANRHFSA-N 1 2 422.533 2.793 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057643927 568494302 /nfs/dbraw/zinc/49/43/02/568494302.db2.gz SKODQGFDCJDGPY-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057643927 568494303 /nfs/dbraw/zinc/49/43/03/568494303.db2.gz SKODQGFDCJDGPY-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000025008898 568514854 /nfs/dbraw/zinc/51/48/54/568514854.db2.gz MWHHZNUDKKFFBR-RCCFBDPRSA-N 1 2 405.564 2.778 40 0 HFABLO CN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1)S(C)(=O)=O ZINC000222513070 568517058 /nfs/dbraw/zinc/51/70/58/568517058.db2.gz SQJBKNAWWBIZOI-UHFFFAOYSA-N 1 2 421.950 2.694 40 0 HFABLO CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223341483 568545834 /nfs/dbraw/zinc/54/58/34/568545834.db2.gz ZJUHABBNWMOVSW-HSZRJFAPSA-N 1 2 409.530 2.615 40 0 HFABLO Cc1ccc(NC(=O)CCc2ccccc2F)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225845034 568680100 /nfs/dbraw/zinc/68/01/00/568680100.db2.gz DVXNETKTDDOODZ-UHFFFAOYSA-N 1 2 419.522 2.642 40 0 HFABLO Cc1ccc2oc(=O)c(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)cc2c1 ZINC000226037424 568691761 /nfs/dbraw/zinc/69/17/61/568691761.db2.gz RWQLNBVRNIKHOK-UHFFFAOYSA-N 1 2 406.438 2.788 40 0 HFABLO Nc1cc(-c2cncnc2[C@H]2CN(C(=O)CCc3ccccc3F)CCO2)cc[nH+]1 ZINC000257214828 568780424 /nfs/dbraw/zinc/78/04/24/568780424.db2.gz CNOIEFSPGXCFEP-LJQANCHMSA-N 1 2 407.449 2.793 40 0 HFABLO CN(C(=O)c1ccccc1OCCN1CCCC1=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257222123 568782550 /nfs/dbraw/zinc/78/25/50/568782550.db2.gz DSAHDOAMTWSOCA-IBGZPJMESA-N 1 2 422.529 2.824 40 0 HFABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257226331 568783927 /nfs/dbraw/zinc/78/39/27/568783927.db2.gz FKFZCRQCMDJPDO-UNMCSNQZSA-N 1 2 415.465 2.627 40 0 HFABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257226331 568783929 /nfs/dbraw/zinc/78/39/29/568783929.db2.gz FKFZCRQCMDJPDO-UNMCSNQZSA-N 1 2 415.465 2.627 40 0 HFABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H](Cc2cccnc2)C1 ZINC000257254067 568791308 /nfs/dbraw/zinc/79/13/08/568791308.db2.gz KBKUCOJEWUBBHQ-OAQYLSRUSA-N 1 2 409.530 2.888 40 0 HFABLO CNc1cc(C)nc([C@@]2(C)CCCN(C(=O)c3ccccc3C[NH+]3CCOCC3)C2)n1 ZINC000257261396 568793232 /nfs/dbraw/zinc/79/32/32/568793232.db2.gz LHCUZBZTXBQBAN-DEOSSOPVSA-N 1 2 423.561 2.853 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000257317199 568809461 /nfs/dbraw/zinc/80/94/61/568809461.db2.gz VITAHNPNSMNNQG-OAQYLSRUSA-N 1 2 407.514 2.817 40 0 HFABLO C[N@H+]1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@@H]1c1ccccc1 ZINC000257317199 568809463 /nfs/dbraw/zinc/80/94/63/568809463.db2.gz VITAHNPNSMNNQG-OAQYLSRUSA-N 1 2 407.514 2.817 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257318147 568809822 /nfs/dbraw/zinc/80/98/22/568809822.db2.gz VMRQUUNZZKELGK-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257318147 568809823 /nfs/dbraw/zinc/80/98/23/568809823.db2.gz VMRQUUNZZKELGK-JOCHJYFZSA-N 1 2 417.513 2.882 40 0 HFABLO CCN1CCC[C@]2(C[N@H+](Cc3ccccc3N3CCOCC3)CC(F)(F)C2)C1=O ZINC000306133924 568896194 /nfs/dbraw/zinc/89/61/94/568896194.db2.gz MZMXCQQWVMXUEI-NRFANRHFSA-N 1 2 407.505 2.993 40 0 HFABLO CCN1CCC[C@]2(C[N@@H+](Cc3ccccc3N3CCOCC3)CC(F)(F)C2)C1=O ZINC000306133924 568896195 /nfs/dbraw/zinc/89/61/95/568896195.db2.gz MZMXCQQWVMXUEI-NRFANRHFSA-N 1 2 407.505 2.993 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2S3(=O)=O)cn1 ZINC000306136630 568898512 /nfs/dbraw/zinc/89/85/12/568898512.db2.gz PYSLOCGOAYZBJN-GCJKJVERSA-N 1 2 423.494 2.571 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2S3(=O)=O)cn1 ZINC000306136630 568898515 /nfs/dbraw/zinc/89/85/15/568898515.db2.gz PYSLOCGOAYZBJN-GCJKJVERSA-N 1 2 423.494 2.571 40 0 HFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137935 568899882 /nfs/dbraw/zinc/89/98/82/568899882.db2.gz RKINUKBXUDXSCL-ICSRJNTNSA-N 1 2 412.490 2.859 40 0 HFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@H]3C2)cn1 ZINC000306137935 568899884 /nfs/dbraw/zinc/89/98/84/568899884.db2.gz RKINUKBXUDXSCL-ICSRJNTNSA-N 1 2 412.490 2.859 40 0 HFABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144212 568905596 /nfs/dbraw/zinc/90/55/96/568905596.db2.gz YZHHTUCLSKPKIW-UWJYYQICSA-N 1 2 415.563 2.984 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591485 569318191 /nfs/dbraw/zinc/31/81/91/569318191.db2.gz NXFGXNINQRZKCK-MDYRTPRTSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000253591485 569318192 /nfs/dbraw/zinc/31/81/92/569318192.db2.gz NXFGXNINQRZKCK-MDYRTPRTSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@H+](Cc3cn(C)nc3C)CCO2)cc1 ZINC000019692801 569346215 /nfs/dbraw/zinc/34/62/15/569346215.db2.gz TWKBREMBKIRZEE-OAQYLSRUSA-N 1 2 422.533 2.834 40 0 HFABLO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2C[N@@H+](Cc3cn(C)nc3C)CCO2)cc1 ZINC000019692801 569346216 /nfs/dbraw/zinc/34/62/16/569346216.db2.gz TWKBREMBKIRZEE-OAQYLSRUSA-N 1 2 422.533 2.834 40 0 HFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc2c(c1)OCO2 ZINC000261365366 569413787 /nfs/dbraw/zinc/41/37/87/569413787.db2.gz RQIZYMOKQLIATL-FQEVSTJZSA-O 1 2 423.474 2.891 40 0 HFABLO CCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000020097872 519905733 /nfs/dbraw/zinc/90/57/33/519905733.db2.gz HMEUCEHGGUZESM-UHFFFAOYSA-N 1 2 416.591 2.564 40 0 HFABLO COc1ccc2nc(Cl)c(CN(CC[NH+]3CCOCC3)C(=O)N(C)C)cc2c1 ZINC000035314792 557690411 /nfs/dbraw/zinc/69/04/11/557690411.db2.gz YTIKVUUQUJTWEV-UHFFFAOYSA-N 1 2 406.914 2.713 40 0 HFABLO COc1ccccc1N1CC[NH+]([C@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000035310986 557693100 /nfs/dbraw/zinc/69/31/00/557693100.db2.gz JUIARPUHTXRZLA-UYAOXDASSA-N 1 2 414.554 2.770 40 0 HFABLO Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCC4)nc(N)c32)cc1Cl ZINC000019974110 558317409 /nfs/dbraw/zinc/31/74/09/558317409.db2.gz FKZSONXJDPGQJE-LBPRGKRZSA-N 1 2 400.870 2.685 40 0 HFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127825 558331521 /nfs/dbraw/zinc/33/15/21/558331521.db2.gz QGUJUGXBPFNSCM-HNNXBMFYSA-N 1 2 421.457 2.987 40 0 HFABLO Cc1cc(-c2cncnc2[C@H]2CCC[N@@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)on1 ZINC000012127825 558331526 /nfs/dbraw/zinc/33/15/26/558331526.db2.gz QGUJUGXBPFNSCM-HNNXBMFYSA-N 1 2 421.457 2.987 40 0 HFABLO O=c1[nH]c2ccc(S(=O)(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc2[nH]1 ZINC000012239218 558359824 /nfs/dbraw/zinc/35/98/24/558359824.db2.gz WOYAVHBOQHJUPM-GOSISDBHSA-N 1 2 420.922 2.625 40 0 HFABLO O=C1CCCc2nc(N3CC[NH+](CCO)CC3)nc(Nc3ccc(Cl)cc3)c21 ZINC000020503108 558380932 /nfs/dbraw/zinc/38/09/32/558380932.db2.gz AABXHOBEKIVMED-UHFFFAOYSA-N 1 2 401.898 2.507 40 0 HFABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(Cl)c1 ZINC000022509135 558492402 /nfs/dbraw/zinc/49/24/02/558492402.db2.gz CIBWDPACNSHJGS-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000014909717 558679016 /nfs/dbraw/zinc/67/90/16/558679016.db2.gz LFNSWXGVEDARLZ-UHFFFAOYSA-N 1 2 401.532 2.998 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000013554631 558843456 /nfs/dbraw/zinc/84/34/56/558843456.db2.gz NCPXALZWXBXALK-MXEMCNAFSA-N 1 2 404.466 2.839 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000013554631 558843457 /nfs/dbraw/zinc/84/34/57/558843457.db2.gz NCPXALZWXBXALK-MXEMCNAFSA-N 1 2 404.466 2.839 40 0 HFABLO Cc1cc(-c2cncnc2-c2ccc(CNC(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)on1 ZINC000019124306 558844196 /nfs/dbraw/zinc/84/41/96/558844196.db2.gz PDGZNRYCXRQXTJ-IAGOWNOFSA-N 1 2 421.501 2.832 40 0 HFABLO c1cncc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccc3c(c2)OCO3)c1 ZINC000019340178 558871468 /nfs/dbraw/zinc/87/14/68/558871468.db2.gz KBDNWMDQLOPPJQ-UHFFFAOYSA-N 1 2 405.458 2.678 40 0 HFABLO CC(C)Cc1cc(C(=O)N2CCN([C@@H](c3[nH+]ccn3C)c3ccccc3)CC2)n(C)n1 ZINC000019447445 558886501 /nfs/dbraw/zinc/88/65/01/558886501.db2.gz QRCNFBIJDNDTLD-JOCHJYFZSA-N 1 2 420.561 2.900 40 0 HFABLO Cc1c(C(=O)NC(C)C)sc2nc3n(c(=O)c12)CC[N@@H+](Cc1ccccc1)CC3 ZINC000019565160 558925232 /nfs/dbraw/zinc/92/52/32/558925232.db2.gz KWGBXOAWXNENKE-UHFFFAOYSA-N 1 2 410.543 2.963 40 0 HFABLO Cc1c(C(=O)NC(C)C)sc2nc3n(c(=O)c12)CC[N@H+](Cc1ccccc1)CC3 ZINC000019565160 558925234 /nfs/dbraw/zinc/92/52/34/558925234.db2.gz KWGBXOAWXNENKE-UHFFFAOYSA-N 1 2 410.543 2.963 40 0 HFABLO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccsc1)C2 ZINC000019593169 558944012 /nfs/dbraw/zinc/94/40/12/558944012.db2.gz AFKPOZLQVQAGIE-SFHVURJKSA-N 1 2 416.547 2.892 40 0 HFABLO COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccsc1)C2 ZINC000019593169 558944014 /nfs/dbraw/zinc/94/40/14/558944014.db2.gz AFKPOZLQVQAGIE-SFHVURJKSA-N 1 2 416.547 2.892 40 0 HFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378749 558967579 /nfs/dbraw/zinc/96/75/79/558967579.db2.gz QBKQSHFCCZFJJV-KRWDZBQOSA-N 1 2 401.467 2.890 40 0 HFABLO C[NH+]1CCN(C(=O)c2ccc([C@@H]3CCCN3C(=O)CCc3ccc(F)cc3)nc2)CC1 ZINC000019708770 558971226 /nfs/dbraw/zinc/97/12/26/558971226.db2.gz KTHFDXMRAZKCBX-QFIPXVFZSA-N 1 2 424.520 2.905 40 0 HFABLO CNc1nc([C@H]2CCCC[N@@H+]2Cc2cnc(C)s2)nc2c1CN(C(C)=O)CC2 ZINC000019710364 558972333 /nfs/dbraw/zinc/97/23/33/558972333.db2.gz KYCMBMUAYLEFOZ-GOSISDBHSA-N 1 2 400.552 2.915 40 0 HFABLO CNc1nc([C@H]2CCCC[N@H+]2Cc2cnc(C)s2)nc2c1CN(C(C)=O)CC2 ZINC000019710364 558972335 /nfs/dbraw/zinc/97/23/35/558972335.db2.gz KYCMBMUAYLEFOZ-GOSISDBHSA-N 1 2 400.552 2.915 40 0 HFABLO CC(C)NC(=O)C[NH+]1CCN(c2ncc(-c3ccccn3)c(-c3cccs3)n2)CC1 ZINC000072396560 558975324 /nfs/dbraw/zinc/97/53/24/558975324.db2.gz WTTIPQXQHNFTQX-UHFFFAOYSA-N 1 2 422.558 2.914 40 0 HFABLO CC[N@@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096144971 559097013 /nfs/dbraw/zinc/09/70/13/559097013.db2.gz CPVSICZWBPTTTN-UHFFFAOYSA-N 1 2 404.518 2.751 40 0 HFABLO CC[N@H+]1CCn2c(-c3cnn(C)c3)cnc2C12CCN(C(=O)c1ccccc1)CC2 ZINC000096144971 559097014 /nfs/dbraw/zinc/09/70/14/559097014.db2.gz CPVSICZWBPTTTN-UHFFFAOYSA-N 1 2 404.518 2.751 40 0 HFABLO Cc1ccc(CNC(=O)[C@@H]2c3c([nH+]cn3C(C)C)CCN2C(=O)c2cccnc2)o1 ZINC000096147268 559098277 /nfs/dbraw/zinc/09/82/77/559098277.db2.gz JDYOFQMXDVFJGO-FQEVSTJZSA-N 1 2 407.474 2.816 40 0 HFABLO CCC(CC)NC(=O)c1ccc2nnc([C@@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC000096156674 559100537 /nfs/dbraw/zinc/10/05/37/559100537.db2.gz UIKXLWFAVAPNCF-FQEVSTJZSA-N 1 2 421.549 2.531 40 0 HFABLO CCC(CC)NC(=O)c1ccc2nnc([C@@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC000096156674 559100539 /nfs/dbraw/zinc/10/05/39/559100539.db2.gz UIKXLWFAVAPNCF-FQEVSTJZSA-N 1 2 421.549 2.531 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)cc1OC ZINC000100182372 559131583 /nfs/dbraw/zinc/13/15/83/559131583.db2.gz YSUNWVDAWVLZJA-UHFFFAOYSA-N 1 2 421.457 2.974 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)cc1OC ZINC000100182372 559131585 /nfs/dbraw/zinc/13/15/85/559131585.db2.gz YSUNWVDAWVLZJA-UHFFFAOYSA-N 1 2 421.457 2.974 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169302085 559276671 /nfs/dbraw/zinc/27/66/71/559276671.db2.gz KKYRICWKTWJNLC-FIXDAVPBSA-N 1 2 422.481 2.944 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)cc2c1 ZINC000000889141 560542295 /nfs/dbraw/zinc/54/22/95/560542295.db2.gz ZCZKXOGEXVBTDF-GHTZIAJQSA-N 1 2 422.533 2.967 40 0 HFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000004909545 560618171 /nfs/dbraw/zinc/61/81/71/560618171.db2.gz QZVFLJPDZVWDQP-UHFFFAOYSA-N 1 2 415.465 2.676 40 0 HFABLO COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C)CC4)c3N2)c1 ZINC000019589801 560874341 /nfs/dbraw/zinc/87/43/41/560874341.db2.gz ZEQDEYDJGZPGBA-IAGOWNOFSA-N 1 2 423.439 2.940 40 0 HFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000019529716 560875005 /nfs/dbraw/zinc/87/50/05/560875005.db2.gz DZZMEVXEULESIY-UECWXEIQSA-N 1 2 422.481 2.776 40 0 HFABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc12 ZINC000057589866 568493830 /nfs/dbraw/zinc/49/38/30/568493830.db2.gz BQNIAZMAGXNPGH-OAQYLSRUSA-N 1 2 422.533 2.793 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000025008894 568514837 /nfs/dbraw/zinc/51/48/37/568514837.db2.gz MWHHZNUDKKFFBR-KSZLIROESA-N 1 2 405.564 2.778 40 0 HFABLO CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223135400 568539065 /nfs/dbraw/zinc/53/90/65/568539065.db2.gz XSWDADAYHCCHGH-VQTJNVASSA-N 1 2 413.591 2.943 40 0 HFABLO CCN(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224365178 568579254 /nfs/dbraw/zinc/57/92/54/568579254.db2.gz VCQKSUPAOBZFJH-UHFFFAOYSA-N 1 2 412.515 2.918 40 0 HFABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)ccc1OC ZINC000095534373 568635690 /nfs/dbraw/zinc/63/56/90/568635690.db2.gz CPOAAHGUQGPGFR-GOSISDBHSA-N 1 2 414.462 2.953 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000225507951 568644663 /nfs/dbraw/zinc/64/46/63/568644663.db2.gz ZREJKUHCYYGARS-LJQANCHMSA-N 1 2 424.526 2.589 40 0 HFABLO COc1cc2c(cc1C[N@@H+]1CCO[C@@H](c3cccc(-c4cncnc4)n3)C1)OCCO2 ZINC000257227287 568784103 /nfs/dbraw/zinc/78/41/03/568784103.db2.gz FONGAKHMMCMTJM-HSZRJFAPSA-N 1 2 420.469 2.892 40 0 HFABLO COc1cc2c(cc1C[N@H+]1CCO[C@@H](c3cccc(-c4cncnc4)n3)C1)OCCO2 ZINC000257227287 568784106 /nfs/dbraw/zinc/78/41/06/568784106.db2.gz FONGAKHMMCMTJM-HSZRJFAPSA-N 1 2 420.469 2.892 40 0 HFABLO Cn1nc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257302282 568804992 /nfs/dbraw/zinc/80/49/92/568804992.db2.gz SCHJBHBLCWCOEF-LJQANCHMSA-N 1 2 401.898 2.992 40 0 HFABLO CCn1c(C)nc2cc(C(=O)N(C)C[C@@]3(O)CCCN(c4cc(C)[nH+]cn4)C3)ccc21 ZINC000257303248 568805367 /nfs/dbraw/zinc/80/53/67/568805367.db2.gz SGJOFOVFSOGMKZ-QHCPKHFHSA-N 1 2 422.533 2.567 40 0 HFABLO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@@H+]1Cc1scnc1C)nc2C ZINC000257303706 568805712 /nfs/dbraw/zinc/80/57/12/568805712.db2.gz SIJJULVFKYXLMR-HXUWFJFHSA-N 1 2 401.536 2.597 40 0 HFABLO COCCN1C(=O)Cc2c1nc([C@@]1(C)CCC[N@H+]1Cc1scnc1C)nc2C ZINC000257303706 568805713 /nfs/dbraw/zinc/80/57/13/568805713.db2.gz SIJJULVFKYXLMR-HXUWFJFHSA-N 1 2 401.536 2.597 40 0 HFABLO CC(C)n1c[nH+]c([C@@H]2CN(C(=O)c3ccncc3)C[C@@]23CCN(CC2CC2)C3=O)c1 ZINC000306126367 568889197 /nfs/dbraw/zinc/88/91/97/568889197.db2.gz DTONCOPZYYSNFR-CVDCTZTESA-N 1 2 407.518 2.727 40 0 HFABLO COc1ncccc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128172 568891057 /nfs/dbraw/zinc/89/10/57/568891057.db2.gz GSZORAHBSQTSHS-OALUTQOASA-N 1 2 409.515 2.738 40 0 HFABLO COc1ncccc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1csc(C)n1)C(=O)c1cccn12 ZINC000306128172 568891059 /nfs/dbraw/zinc/89/10/59/568891059.db2.gz GSZORAHBSQTSHS-OALUTQOASA-N 1 2 409.515 2.738 40 0 HFABLO CCC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144210 568905611 /nfs/dbraw/zinc/90/56/11/568905611.db2.gz YZHHTUCLSKPKIW-LAUBAEHRSA-N 1 2 415.563 2.984 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000328984922 568971437 /nfs/dbraw/zinc/97/14/37/568971437.db2.gz HQSVPEAIQZWMPY-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019692806 569346211 /nfs/dbraw/zinc/34/62/11/569346211.db2.gz OVXKUTODFMXEIL-FQEVSTJZSA-N 1 2 410.497 2.964 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)cnn1C ZINC000019692806 569346212 /nfs/dbraw/zinc/34/62/12/569346212.db2.gz OVXKUTODFMXEIL-FQEVSTJZSA-N 1 2 410.497 2.964 40 0 HFABLO COC(=O)c1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1 ZINC000261361959 569413468 /nfs/dbraw/zinc/41/34/68/569413468.db2.gz FBRMXACSKMNJNE-LJQANCHMSA-O 1 2 423.474 2.559 40 0 HFABLO CCc1ccc([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000042162043 524024366 /nfs/dbraw/zinc/02/43/66/524024366.db2.gz UCBAYLROMNMGBD-QGZVFWFLSA-N 1 2 415.559 2.676 40 0 HFABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C)CC2)ccc1Cl ZINC000408543893 557360765 /nfs/dbraw/zinc/36/07/65/557360765.db2.gz FXAOGXPFVVTCSY-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3C)c2)CC1 ZINC000408557279 557454172 /nfs/dbraw/zinc/45/41/72/557454172.db2.gz GGDDOZYBNLFBKE-UHFFFAOYSA-N 1 2 417.531 2.582 40 0 HFABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408577338 557480366 /nfs/dbraw/zinc/48/03/66/557480366.db2.gz ZDHLQNDYVPDHGC-QPJJXVBHSA-N 1 2 405.542 2.990 40 0 HFABLO COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(OC)c(C)c1)C[N@@H+](C)CC2 ZINC000408615380 557540382 /nfs/dbraw/zinc/54/03/82/557540382.db2.gz PSEVUQLLCOFFAL-UHFFFAOYSA-N 1 2 410.517 2.640 40 0 HFABLO COC(=O)c1c2c(sc1NS(=O)(=O)c1ccc(OC)c(C)c1)C[N@H+](C)CC2 ZINC000408615380 557540385 /nfs/dbraw/zinc/54/03/85/557540385.db2.gz PSEVUQLLCOFFAL-UHFFFAOYSA-N 1 2 410.517 2.640 40 0 HFABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCCC[C@@H]1c1nc2c(c(C)n1)CC(=O)N2C ZINC000019739642 558260733 /nfs/dbraw/zinc/26/07/33/558260733.db2.gz SXXBZQWPJGFHRY-QGZVFWFLSA-N 1 2 418.501 2.556 40 0 HFABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000012132458 558332975 /nfs/dbraw/zinc/33/29/75/558332975.db2.gz MWIUKYBZENEQMU-UHFFFAOYSA-N 1 2 418.545 2.790 40 0 HFABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCc2c(=O)[nH]c(N3CCCC3)nc2C1 ZINC000012132458 558332977 /nfs/dbraw/zinc/33/29/77/558332977.db2.gz MWIUKYBZENEQMU-UHFFFAOYSA-N 1 2 418.545 2.790 40 0 HFABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)cc1C ZINC000020492624 558378729 /nfs/dbraw/zinc/37/87/29/558378729.db2.gz IZZXQHGMDHBOGS-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO O=C1C[C@H]([NH+]2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000020634513 558395468 /nfs/dbraw/zinc/39/54/68/558395468.db2.gz JZBNXJKJIAPSMI-AWEZNQCLSA-N 1 2 418.799 2.830 40 0 HFABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1S(=O)(=O)N1CCCC1 ZINC000038773055 558815652 /nfs/dbraw/zinc/81/56/52/558815652.db2.gz TYKLNUVSVTVYJR-UHFFFAOYSA-N 1 2 424.526 2.895 40 0 HFABLO COc1ccc(-c2cc3cccnc3n2CC(=O)NC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000019084976 558840977 /nfs/dbraw/zinc/84/09/77/558840977.db2.gz OGXBOIJLVPWZPN-UHFFFAOYSA-N 1 2 422.529 2.939 40 0 HFABLO COc1ccc(CC(=O)N2CC[NH+](Cc3cc(-c4cccnc4)nn3C)CC2)cc1F ZINC000019289015 558861905 /nfs/dbraw/zinc/86/19/05/558861905.db2.gz SERICSWPPOJXQF-UHFFFAOYSA-N 1 2 423.492 2.517 40 0 HFABLO Cc1sc2ncnc(N[C@@H](C)C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2c1C ZINC000057823886 558891156 /nfs/dbraw/zinc/89/11/56/558891156.db2.gz KNXFPUWGHGOIKJ-HNNXBMFYSA-N 1 2 410.547 2.848 40 0 HFABLO Cc1sc2ncnc(N[C@H](C)C(=O)N3CC[NH+](Cc4ccccn4)CC3)c2c1C ZINC000057823890 558891213 /nfs/dbraw/zinc/89/12/13/558891213.db2.gz KNXFPUWGHGOIKJ-OAHLLOKOSA-N 1 2 410.547 2.848 40 0 HFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019496427 558895474 /nfs/dbraw/zinc/89/54/74/558895474.db2.gz MCHXGBJXYXQGEI-KRWDZBQOSA-N 1 2 404.518 2.893 40 0 HFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccn1-c1cccnc1)C2 ZINC000019496427 558895476 /nfs/dbraw/zinc/89/54/76/558895476.db2.gz MCHXGBJXYXQGEI-KRWDZBQOSA-N 1 2 404.518 2.893 40 0 HFABLO Cc1nc2[nH]c(CC(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)nn2c(=O)c1C ZINC000019576982 558932975 /nfs/dbraw/zinc/93/29/75/558932975.db2.gz BLLWPXXFFXZSAN-UHFFFAOYSA-N 1 2 408.506 2.592 40 0 HFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000072335587 558936773 /nfs/dbraw/zinc/93/67/73/558936773.db2.gz MRXOEPRHXRXYEB-HOTGVXAUSA-N 1 2 408.502 2.630 40 0 HFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=Cc4ccccc4OC2)C3)C[C@H](C)O1 ZINC000072335587 558936775 /nfs/dbraw/zinc/93/67/75/558936775.db2.gz MRXOEPRHXRXYEB-HOTGVXAUSA-N 1 2 408.502 2.630 40 0 HFABLO COc1cccc([C@H](NS(=O)(=O)c2cn(CC(C)C)nc2C)c2[nH+]ccn2C)c1 ZINC000019584253 558938323 /nfs/dbraw/zinc/93/83/23/558938323.db2.gz JDIYSINJAATKOQ-IBGZPJMESA-N 1 2 417.535 2.658 40 0 HFABLO Cc1[nH+]c2cc(NC(=O)CN(C)[C@H]3CCS(=O)(=O)C3)ccc2n1C1CCCCC1 ZINC000019655230 558948641 /nfs/dbraw/zinc/94/86/41/558948641.db2.gz AOSICPPGPYVCPG-SFHVURJKSA-N 1 2 418.563 2.907 40 0 HFABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370867 558957507 /nfs/dbraw/zinc/95/75/07/558957507.db2.gz QZDJDWYFYNXAMV-NRFANRHFSA-N 1 2 421.501 2.849 40 0 HFABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370867 558957511 /nfs/dbraw/zinc/95/75/11/558957511.db2.gz QZDJDWYFYNXAMV-NRFANRHFSA-N 1 2 421.501 2.849 40 0 HFABLO O=C(C[N@@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1)Nc1ccc(F)cc1 ZINC000072377599 558966638 /nfs/dbraw/zinc/96/66/38/558966638.db2.gz MUCDVMUTNRJQIV-OAHLLOKOSA-N 1 2 407.453 2.967 40 0 HFABLO O=C(C[N@H+]1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1)Nc1ccc(F)cc1 ZINC000072377599 558966640 /nfs/dbraw/zinc/96/66/40/558966640.db2.gz MUCDVMUTNRJQIV-OAHLLOKOSA-N 1 2 407.453 2.967 40 0 HFABLO CCc1cc2c(ncn(CC(=O)NCCc3[nH]c4cc(C)c(C)cc4[nH+]3)c2=O)s1 ZINC000019714936 558975295 /nfs/dbraw/zinc/97/52/95/558975295.db2.gz YQIWZAZNEOGPSP-UHFFFAOYSA-N 1 2 409.515 2.872 40 0 HFABLO CC(C)c1nc(CC(=O)N2CC[C@H]3[C@H](C2)OCC[N@@H+]3Cc2cc(F)cc(F)c2)no1 ZINC000585107872 559029715 /nfs/dbraw/zinc/02/97/15/559029715.db2.gz YKXVLZSJDWYOQT-ROUUACIJSA-N 1 2 420.460 2.516 40 0 HFABLO CC(C)c1nc(CC(=O)N2CC[C@H]3[C@H](C2)OCC[N@H+]3Cc2cc(F)cc(F)c2)no1 ZINC000585107872 559029717 /nfs/dbraw/zinc/02/97/17/559029717.db2.gz YKXVLZSJDWYOQT-ROUUACIJSA-N 1 2 420.460 2.516 40 0 HFABLO COCCN(CCOC)C(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037543 559091233 /nfs/dbraw/zinc/09/12/33/559091233.db2.gz WNUCCNFDPOBDCS-QFIPXVFZSA-N 1 2 414.550 2.685 40 0 HFABLO Cc1cccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)c1 ZINC000096251256 559105293 /nfs/dbraw/zinc/10/52/93/559105293.db2.gz VLYQFQSPVBKDEF-RDPSFJRHSA-N 1 2 406.530 2.837 40 0 HFABLO Cc1ccsc1C(=O)N1CCc2[nH+]c(N3CCOCC3)nc(NC(C)C)c2C1 ZINC000096254287 559105856 /nfs/dbraw/zinc/10/58/56/559105856.db2.gz JZSSQLKHDXDZPB-UHFFFAOYSA-N 1 2 401.536 2.702 40 0 HFABLO Cc1cc(C)nc(Nc2cc(C[C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)ncn2)n1 ZINC000585291066 559123620 /nfs/dbraw/zinc/12/36/20/559123620.db2.gz JCMUMBCERYRVOO-RTRPANQVSA-N 1 2 418.505 2.845 40 0 HFABLO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@@H]2c1ccc(OCCC(C)C)cc1 ZINC000104279741 559159720 /nfs/dbraw/zinc/15/97/20/559159720.db2.gz UBRXMQQSQVKWBD-FQEVSTJZSA-N 1 2 411.506 2.637 40 0 HFABLO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3cnn4-c3ccccc3)CC2)c1 ZINC000001372346 560578104 /nfs/dbraw/zinc/57/81/04/560578104.db2.gz XDMJHKHRVZXURJ-UHFFFAOYSA-N 1 2 414.469 2.787 40 0 HFABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1)NCc1ccco1 ZINC000004981466 560623058 /nfs/dbraw/zinc/62/30/58/560623058.db2.gz MDRWPFWZBUDTMT-UHFFFAOYSA-N 1 2 420.307 2.553 40 0 HFABLO CC[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000409408121 560722567 /nfs/dbraw/zinc/72/25/67/560722567.db2.gz ISJUFKJQZLGDCH-UHFFFAOYSA-N 1 2 407.923 2.919 40 0 HFABLO O=C(NCC[NH+]1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000013968581 560831312 /nfs/dbraw/zinc/83/13/12/560831312.db2.gz ZUIWSHRJWJXDJO-YCAMKHIRSA-N 1 2 417.553 2.854 40 0 HFABLO O=C(c1ccccc1Br)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000019229475 560872040 /nfs/dbraw/zinc/87/20/40/560872040.db2.gz ZPEWORBLOCTOCO-INIZCTEOSA-N 1 2 419.319 2.647 40 0 HFABLO COc1ccc(CC(=O)NC2CC[NH+](CC(=O)c3ccc(F)cc3)CC2)cc1OC ZINC000057681246 568494027 /nfs/dbraw/zinc/49/40/27/568494027.db2.gz WZRZGSROOUXRGS-UHFFFAOYSA-N 1 2 414.477 2.849 40 0 HFABLO CC(C)[C@H](c1nnnn1Cc1ccc2c(c1)OCO2)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671408 568495252 /nfs/dbraw/zinc/49/52/52/568495252.db2.gz CFNUTLPYYGUBGM-JOCHJYFZSA-N 1 2 420.517 2.969 40 0 HFABLO CCC(=O)N(CC[NH+]1CCOCC1)Cc1cc2cc3c(cc2nc1Cl)OCO3 ZINC000026417217 568547856 /nfs/dbraw/zinc/54/78/56/568547856.db2.gz GNRQLEVYONMANW-UHFFFAOYSA-N 1 2 405.882 2.688 40 0 HFABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223586149 568552488 /nfs/dbraw/zinc/55/24/88/568552488.db2.gz BZTNXRDMVLJRID-SFTDATJTSA-N 1 2 407.543 2.903 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 ZINC000257214831 568780341 /nfs/dbraw/zinc/78/03/41/568780341.db2.gz CNOQEAQHXKGMCE-UHFFFAOYSA-N 1 2 409.530 2.536 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 ZINC000257274368 568796912 /nfs/dbraw/zinc/79/69/12/568796912.db2.gz NKSSLYSKPZDGAN-UHFFFAOYSA-N 1 2 409.530 2.536 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@H](OC)[C@]4(CCCO4)C3)sc2c1 ZINC000257315277 568808836 /nfs/dbraw/zinc/80/88/36/568808836.db2.gz VAPKDIABIFCIJJ-XLIONFOSSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@H](OC)[C@]4(CCCO4)C3)sc2c1 ZINC000257315277 568808838 /nfs/dbraw/zinc/80/88/38/568808838.db2.gz VAPKDIABIFCIJJ-XLIONFOSSA-N 1 2 405.520 2.903 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257318148 568809775 /nfs/dbraw/zinc/80/97/75/568809775.db2.gz VMRQUUNZZKELGK-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000257318148 568809776 /nfs/dbraw/zinc/80/97/76/568809776.db2.gz VMRQUUNZZKELGK-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO CCCN1CC[N@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257324207 568811576 /nfs/dbraw/zinc/81/15/76/568811576.db2.gz WNRNUXHZTKZVMQ-FQEVSTJZSA-N 1 2 411.521 2.952 40 0 HFABLO CCCN1CC[N@@H+](CC(=O)NC)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257324207 568811577 /nfs/dbraw/zinc/81/15/77/568811577.db2.gz WNRNUXHZTKZVMQ-FQEVSTJZSA-N 1 2 411.521 2.952 40 0 HFABLO CCCN1CC[N@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257324208 568811625 /nfs/dbraw/zinc/81/16/25/568811625.db2.gz WNRNUXHZTKZVMQ-HXUWFJFHSA-N 1 2 411.521 2.952 40 0 HFABLO CCCN1CC[N@@H+](CC(=O)NC)C[C@@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257324208 568811628 /nfs/dbraw/zinc/81/16/28/568811628.db2.gz WNRNUXHZTKZVMQ-HXUWFJFHSA-N 1 2 411.521 2.952 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328957862 568969596 /nfs/dbraw/zinc/96/95/96/568969596.db2.gz ALWLGAXGTZVRIU-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO COc1cc(CN2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)cc2c1OCO2 ZINC000019561073 569047289 /nfs/dbraw/zinc/04/72/89/569047289.db2.gz VXWPEMVBMUDHKS-UHFFFAOYSA-N 1 2 400.475 2.759 40 0 HFABLO COc1cc(C[NH+]2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc2c1OCO2 ZINC000019561073 569047290 /nfs/dbraw/zinc/04/72/90/569047290.db2.gz VXWPEMVBMUDHKS-UHFFFAOYSA-N 1 2 400.475 2.759 40 0 HFABLO COc1cccc([C@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c1 ZINC000253560050 569317936 /nfs/dbraw/zinc/31/79/36/569317936.db2.gz AIIXHUUGFGMJPJ-NQIIRXRSSA-N 1 2 418.501 2.767 40 0 HFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccn1C(C)=O ZINC000261363616 569413598 /nfs/dbraw/zinc/41/35/98/569413598.db2.gz UHLJXUHESFJJON-IBGZPJMESA-O 1 2 410.479 2.624 40 0 HFABLO Cc1cccnc1Nc1cnc(CC2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)cn1 ZINC000585290927 571308955 /nfs/dbraw/zinc/30/89/55/571308955.db2.gz HIONCRQZMAEQBN-SNAWJCMRSA-N 1 2 403.490 3.141 40 0 HFABLO CCc1nnc(Nc2cc(C)nc([C@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)s1 ZINC000585292741 571310036 /nfs/dbraw/zinc/31/00/36/571310036.db2.gz SCUAJHSSGDGDKL-TUPIDYKKSA-N 1 2 415.567 3.114 40 0 HFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2coc4ccccc4c2=O)CC3)CC1 ZINC000012185099 132356149 /nfs/dbraw/zinc/35/61/49/132356149.db2.gz FSBCMXBBVJQUDH-UHFFFAOYSA-N 1 2 406.486 2.671 40 0 HFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2coc4ccccc4c2=O)CC3)CC1 ZINC000012185099 132356150 /nfs/dbraw/zinc/35/61/50/132356150.db2.gz FSBCMXBBVJQUDH-UHFFFAOYSA-N 1 2 406.486 2.671 40 0 HFABLO CCCCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019823750 520689740 /nfs/dbraw/zinc/68/97/40/520689740.db2.gz YEPIMJZWYLVUMR-UHFFFAOYSA-N 1 2 416.591 2.645 40 0 HFABLO COc1ccccc1CNC(=O)c1cnc([C@@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc1C ZINC000072345397 524486100 /nfs/dbraw/zinc/48/61/00/524486100.db2.gz IEYVQNUCQKRCQJ-FQEVSTJZSA-N 1 2 420.517 2.794 40 0 HFABLO COc1ccccc1CNC(=O)c1cnc([C@@H]2CCC[N@H+]2Cc2cnn(C)c2)nc1C ZINC000072345397 524486111 /nfs/dbraw/zinc/48/61/11/524486111.db2.gz IEYVQNUCQKRCQJ-FQEVSTJZSA-N 1 2 420.517 2.794 40 0 HFABLO CN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(C)(=O)=O ZINC000408619386 557536573 /nfs/dbraw/zinc/53/65/73/557536573.db2.gz LZULOFHTCBITCE-RMKNXTFCSA-N 1 2 413.543 2.554 40 0 HFABLO O=C(C[C@H]1CCCCO1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745158 558265747 /nfs/dbraw/zinc/26/57/47/558265747.db2.gz HQULOBIYXULHGI-MRXNPFEDSA-N 1 2 423.521 2.958 40 0 HFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000020040761 558325814 /nfs/dbraw/zinc/32/58/14/558325814.db2.gz ZGAIUOGCIHIUSF-UHFFFAOYSA-N 1 2 424.526 2.728 40 0 HFABLO COc1ccc(-c2nccc3ccn(CC(=O)NCc4[nH+]ccn4C)c32)cc1OC ZINC000012129365 558332053 /nfs/dbraw/zinc/33/20/53/558332053.db2.gz QFDIYULCTPHCKA-UHFFFAOYSA-N 1 2 405.458 2.770 40 0 HFABLO CCc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000020483962 558376054 /nfs/dbraw/zinc/37/60/54/558376054.db2.gz LZTIAVUTCMFBRD-UHFFFAOYSA-N 1 2 412.515 2.517 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000022527651 558496135 /nfs/dbraw/zinc/49/61/35/558496135.db2.gz HLUYNEYFEIZMSX-UHFFFAOYSA-N 1 2 424.526 2.895 40 0 HFABLO CCOc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609190 558501042 /nfs/dbraw/zinc/50/10/42/558501042.db2.gz UKUBCHMZNQUALJ-GOSISDBHSA-N 1 2 410.470 2.793 40 0 HFABLO CCOc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609190 558501044 /nfs/dbraw/zinc/50/10/44/558501044.db2.gz UKUBCHMZNQUALJ-GOSISDBHSA-N 1 2 410.470 2.793 40 0 HFABLO O=C([C@H]1CC(c2c(F)cccc2Cl)=NO1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000036615446 558729237 /nfs/dbraw/zinc/72/92/37/558729237.db2.gz PPVPSMUVURUGCE-GOSISDBHSA-N 1 2 402.857 2.712 40 0 HFABLO COc1ccc2c(c1OC)C(=O)N1C2=Cc2c(cc3c(c2OC)OCO3)C[C@H]1[NH+](C)C ZINC000031852387 558752923 /nfs/dbraw/zinc/75/29/23/558752923.db2.gz RTFMKOOQVKWDHF-SFHVURJKSA-N 1 2 424.453 2.839 40 0 HFABLO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000035183279 558788978 /nfs/dbraw/zinc/78/89/78/558788978.db2.gz WQARXTUMVAKULI-VYENPZKTSA-N 1 2 400.906 2.937 40 0 HFABLO Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)nc(C)n1 ZINC000016740474 558803242 /nfs/dbraw/zinc/80/32/42/558803242.db2.gz OOJKIHKURIQVJT-UHFFFAOYSA-N 1 2 417.535 2.709 40 0 HFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2c(-c3ccc(Br)cc3)cnn21 ZINC000038829619 558816262 /nfs/dbraw/zinc/81/62/62/558816262.db2.gz IPBCXBWJHVCJCU-UHFFFAOYSA-N 1 2 414.307 2.855 40 0 HFABLO C[C@H](C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079107 558838831 /nfs/dbraw/zinc/83/88/31/558838831.db2.gz XUMAJTGEWHUFHO-VQIMIIECSA-N 1 2 412.925 2.765 40 0 HFABLO CC(=O)N1CCC(N(CC[NH+]2CCOCC2)C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000019221246 558851852 /nfs/dbraw/zinc/85/18/52/558851852.db2.gz SONIRBLVTBVAOV-UHFFFAOYSA-N 1 2 413.518 2.527 40 0 HFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4cccc(S(N)(=O)=O)c4)C3)[nH+]c(C)n12 ZINC000019240438 558859075 /nfs/dbraw/zinc/85/90/75/558859075.db2.gz IYAYYHRFYJTQFC-HNNXBMFYSA-N 1 2 418.544 2.680 40 0 HFABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O ZINC000019286747 558860551 /nfs/dbraw/zinc/86/05/51/558860551.db2.gz YUUGFOSNNWRBGN-AWEZNQCLSA-N 1 2 412.515 2.942 40 0 HFABLO COc1ccc(C(=O)NCC[N@@H+]2CCN3Cc4[nH]c5ccccc5c4C[C@@H]3C2)cc1 ZINC000019365136 558876769 /nfs/dbraw/zinc/87/67/69/558876769.db2.gz ZEURCBHOOPQIRW-GOSISDBHSA-N 1 2 404.514 2.649 40 0 HFABLO COc1ccc(C(=O)NCC[N@H+]2CCN3Cc4[nH]c5ccccc5c4C[C@@H]3C2)cc1 ZINC000019365136 558876772 /nfs/dbraw/zinc/87/67/72/558876772.db2.gz ZEURCBHOOPQIRW-GOSISDBHSA-N 1 2 404.514 2.649 40 0 HFABLO CC(C)[N@@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c(=O)c2C1 ZINC000019448161 558887104 /nfs/dbraw/zinc/88/71/04/558887104.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 1 2 410.522 2.504 40 0 HFABLO CC(C)[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C4CC4)[nH]n3)[nH]c(=O)c2C1 ZINC000019448161 558887106 /nfs/dbraw/zinc/88/71/06/558887106.db2.gz XILVVMCYXRTGML-LJQANCHMSA-N 1 2 410.522 2.504 40 0 HFABLO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000019499171 558897587 /nfs/dbraw/zinc/89/75/87/558897587.db2.gz OGIAQRVBZPCUGM-UHFFFAOYSA-N 1 2 410.499 2.650 40 0 HFABLO CCn1cc(C[NH+]2CCN(C(=O)[C@H](C)Cn3nc(C)c(Cl)c3C)CC2)c(C)n1 ZINC000019524561 558905743 /nfs/dbraw/zinc/90/57/43/558905743.db2.gz MEBJRLFITLUXQC-CQSZACIVSA-N 1 2 406.962 2.659 40 0 HFABLO Cc1nn(C[C@@H](C)C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)c(C)c1C ZINC000019556992 558919277 /nfs/dbraw/zinc/91/92/77/558919277.db2.gz QGUOVIVGBVXWMP-MRXNPFEDSA-N 1 2 400.523 2.794 40 0 HFABLO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C ZINC000072336826 558937419 /nfs/dbraw/zinc/93/74/19/558937419.db2.gz GJISGWLCMFFSSZ-UHFFFAOYSA-N 1 2 407.474 2.512 40 0 HFABLO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)c1C ZINC000072336826 558937421 /nfs/dbraw/zinc/93/74/21/558937421.db2.gz GJISGWLCMFFSSZ-UHFFFAOYSA-N 1 2 407.474 2.512 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)[C@@H](c2ccccc2)C1 ZINC000019589374 558940185 /nfs/dbraw/zinc/94/01/85/558940185.db2.gz UURLQFWYXQMXMS-RBBKRZOGSA-N 1 2 419.525 2.950 40 0 HFABLO C[N@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@@H]2CCCO2)C3)[C@@H](c2ccccc2)C1 ZINC000019589374 558940187 /nfs/dbraw/zinc/94/01/87/558940187.db2.gz UURLQFWYXQMXMS-RBBKRZOGSA-N 1 2 419.525 2.950 40 0 HFABLO COCC[NH+]1CCN(C(=O)c2sc3ccccc3c2[C@@H]2CCN(C(C)=O)C2)CC1 ZINC000072352623 558949241 /nfs/dbraw/zinc/94/92/41/558949241.db2.gz LHDQUVQVUWIUOH-QGZVFWFLSA-N 1 2 415.559 2.641 40 0 HFABLO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@@H+]4CC(=O)N4CCCC4)C3)oc21 ZINC000585102084 559025169 /nfs/dbraw/zinc/02/51/69/559025169.db2.gz QKIGCNRKUNAMNB-QHCPKHFHSA-N 1 2 411.502 2.744 40 0 HFABLO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@H+]4CC(=O)N4CCCC4)C3)oc21 ZINC000585102084 559025170 /nfs/dbraw/zinc/02/51/70/559025170.db2.gz QKIGCNRKUNAMNB-QHCPKHFHSA-N 1 2 411.502 2.744 40 0 HFABLO CC(C)n1cc(C[N@@H+]2CCC[C@@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)cn1 ZINC000585101079 559025634 /nfs/dbraw/zinc/02/56/34/559025634.db2.gz BQKHRZUPXRYNNX-HXUWFJFHSA-N 1 2 403.502 2.535 40 0 HFABLO CC(C)n1cc(C[N@H+]2CCC[C@@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)cn1 ZINC000585101079 559025635 /nfs/dbraw/zinc/02/56/35/559025635.db2.gz BQKHRZUPXRYNNX-HXUWFJFHSA-N 1 2 403.502 2.535 40 0 HFABLO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1nccs1)C2 ZINC000096036258 559089814 /nfs/dbraw/zinc/08/98/14/559089814.db2.gz NTRBIALTVDNIQW-NRFANRHFSA-N 1 2 413.547 2.731 40 0 HFABLO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1nccs1)C2 ZINC000096036258 559089816 /nfs/dbraw/zinc/08/98/16/559089816.db2.gz NTRBIALTVDNIQW-NRFANRHFSA-N 1 2 413.547 2.731 40 0 HFABLO Cc1cnc(C(=O)N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@H+]3C)cn1 ZINC000096144961 559097010 /nfs/dbraw/zinc/09/70/10/559097010.db2.gz ZDEJXAFFBLREIH-UHFFFAOYSA-N 1 2 402.502 2.725 40 0 HFABLO Cc1cnc(C(=O)N2CCC3(CC2)c2ncc(-c4ccccc4)n2CC[N@@H+]3C)cn1 ZINC000096144961 559097011 /nfs/dbraw/zinc/09/70/11/559097011.db2.gz ZDEJXAFFBLREIH-UHFFFAOYSA-N 1 2 402.502 2.725 40 0 HFABLO CCCCS(=O)(=O)N1CCC2(CCn3c(-c4ccc(C(N)=O)cc4)c[nH+]c32)CC1 ZINC000096243525 559104802 /nfs/dbraw/zinc/10/48/02/559104802.db2.gz AUQSBAXNUOLTDJ-UHFFFAOYSA-N 1 2 416.547 2.516 40 0 HFABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096254173 559105727 /nfs/dbraw/zinc/10/57/27/559105727.db2.gz MSYLICUGUJEVNR-UHFFFAOYSA-N 1 2 401.536 2.759 40 0 HFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCC1 ZINC000000912900 560546414 /nfs/dbraw/zinc/54/64/14/560546414.db2.gz QJEITDOZODGAKA-SFHVURJKSA-N 1 2 410.478 2.574 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848161 560609799 /nfs/dbraw/zinc/60/97/99/560609799.db2.gz WBMJYPTUHKCMCS-IBGZPJMESA-N 1 2 412.538 2.770 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000004848161 560609801 /nfs/dbraw/zinc/60/98/01/560609801.db2.gz WBMJYPTUHKCMCS-IBGZPJMESA-N 1 2 412.538 2.770 40 0 HFABLO COCCn1nnnc1C[NH+]1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 ZINC000004858307 560612122 /nfs/dbraw/zinc/61/21/22/560612122.db2.gz NMYGAGMBJGSWBC-UHFFFAOYSA-N 1 2 423.443 2.834 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012716989 560786335 /nfs/dbraw/zinc/78/63/35/560786335.db2.gz ZLZUELCOXFCZDS-PLMTUMEDSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012716989 560786336 /nfs/dbraw/zinc/78/63/36/560786336.db2.gz ZLZUELCOXFCZDS-PLMTUMEDSA-N 1 2 422.533 2.823 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000012833872 560788734 /nfs/dbraw/zinc/78/87/34/560788734.db2.gz VCTJGHKEEQVILP-VLIAUNLRSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000012833872 560788735 /nfs/dbraw/zinc/78/87/35/560788735.db2.gz VCTJGHKEEQVILP-VLIAUNLRSA-N 1 2 410.522 2.599 40 0 HFABLO CCOC(=O)[C@@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@@H]21 ZINC000019529710 560875022 /nfs/dbraw/zinc/87/50/22/560875022.db2.gz DZZMEVXEULESIY-VKDGWMQASA-N 1 2 422.481 2.776 40 0 HFABLO CC[C@@H](C)NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000020081299 560880377 /nfs/dbraw/zinc/88/03/77/560880377.db2.gz RJHGQGUWHYWOPO-QGZVFWFLSA-N 1 2 416.591 2.644 40 0 HFABLO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000223416588 568548280 /nfs/dbraw/zinc/54/82/80/568548280.db2.gz IZEFMQXGNXXLFX-UHFFFAOYSA-N 1 2 423.922 2.679 40 0 HFABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000224342646 568578484 /nfs/dbraw/zinc/57/84/84/568578484.db2.gz XRRHKWBQKGIUFV-UHFFFAOYSA-N 1 2 421.950 2.861 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(N2CCCCS2(=O)=O)c1 ZINC000224388965 568579912 /nfs/dbraw/zinc/57/99/12/568579912.db2.gz PEPQWRKWPUSLQD-UHFFFAOYSA-N 1 2 410.499 2.732 40 0 HFABLO COc1cc(NC(=S)N2CC[NH+](Cc3cccc(O)c3)CC2)cc(OC)c1OC ZINC000225220410 568624003 /nfs/dbraw/zinc/62/40/03/568624003.db2.gz WVRGGWHGBQLKEC-UHFFFAOYSA-N 1 2 417.531 2.933 40 0 HFABLO CCn1c2ccc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2sc1=O ZINC000225693307 568664955 /nfs/dbraw/zinc/66/49/55/568664955.db2.gz CIMLORNNVAKLDZ-UHFFFAOYSA-N 1 2 414.512 2.747 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc3ncccc3c1)CC2 ZINC000257229467 568784744 /nfs/dbraw/zinc/78/47/44/568784744.db2.gz FYFYYTQYKMCQAC-IBGZPJMESA-N 1 2 416.529 2.961 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc3ncccc3c1)CC2 ZINC000257229467 568784745 /nfs/dbraw/zinc/78/47/45/568784745.db2.gz FYFYYTQYKMCQAC-IBGZPJMESA-N 1 2 416.529 2.961 40 0 HFABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccc(F)cc1 ZINC000257237697 568786936 /nfs/dbraw/zinc/78/69/36/568786936.db2.gz HHRIGMBUBAPRDM-JXFKEZNVSA-N 1 2 405.495 2.812 40 0 HFABLO Cc1sc(NC(=O)C[N@H+]2CC[C@H](O)[C@]3(CCCO3)C2)nc1-c1ccc(F)cc1 ZINC000257237697 568786937 /nfs/dbraw/zinc/78/69/37/568786937.db2.gz HHRIGMBUBAPRDM-JXFKEZNVSA-N 1 2 405.495 2.812 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000257245903 568789194 /nfs/dbraw/zinc/78/91/94/568789194.db2.gz IRPBBBRCMKUVSH-HXUWFJFHSA-N 1 2 403.433 2.616 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n[nH]3)C2)cn1 ZINC000257245903 568789196 /nfs/dbraw/zinc/78/91/96/568789196.db2.gz IRPBBBRCMKUVSH-HXUWFJFHSA-N 1 2 403.433 2.616 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(C)cc1OC)CC2 ZINC000257331344 568813484 /nfs/dbraw/zinc/81/34/84/568813484.db2.gz XSLRLMCDPRVKPR-GOSISDBHSA-N 1 2 409.534 2.729 40 0 HFABLO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(C)cc1OC)CC2 ZINC000257331344 568813485 /nfs/dbraw/zinc/81/34/85/568813485.db2.gz XSLRLMCDPRVKPR-GOSISDBHSA-N 1 2 409.534 2.729 40 0 HFABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)nc[nH+]1 ZINC000257342241 568816884 /nfs/dbraw/zinc/81/68/84/568816884.db2.gz ZNSYYIMMMDXJFU-HSZRJFAPSA-N 1 2 422.533 2.819 40 0 HFABLO Cn1cc(C[N@@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125224 568887897 /nfs/dbraw/zinc/88/78/97/568887897.db2.gz CJVRHSREYFXHJK-JOCHJYFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(C[N@H+]2CCN(CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125224 568887899 /nfs/dbraw/zinc/88/78/99/568887899.db2.gz CJVRHSREYFXHJK-JOCHJYFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(CN2CC[N@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125224 568887901 /nfs/dbraw/zinc/88/79/01/568887901.db2.gz CJVRHSREYFXHJK-JOCHJYFZSA-N 1 2 419.577 2.937 40 0 HFABLO Cn1cc(CN2CC[N@@H+](CC3CC3)[C@@H](c3cn4c(cccc4N4CCCC4)n3)C2)cn1 ZINC000306125224 568887903 /nfs/dbraw/zinc/88/79/03/568887903.db2.gz CJVRHSREYFXHJK-JOCHJYFZSA-N 1 2 419.577 2.937 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cccnc3)C[C@@H]1S2(=O)=O ZINC000306132329 568894508 /nfs/dbraw/zinc/89/45/08/568894508.db2.gz LFGRRUVVCLVTHE-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1S2(=O)=O ZINC000306132329 568894509 /nfs/dbraw/zinc/89/45/09/568894509.db2.gz LFGRRUVVCLVTHE-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306141356 568903004 /nfs/dbraw/zinc/90/30/04/568903004.db2.gz VSZJKGBAWHKZKO-RBBKRZOGSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306141356 568903007 /nfs/dbraw/zinc/90/30/07/568903007.db2.gz VSZJKGBAWHKZKO-RBBKRZOGSA-N 1 2 409.511 2.851 40 0 HFABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1ccco1)CC21CCN(S(C)(=O)=O)CC1 ZINC000306142857 568904459 /nfs/dbraw/zinc/90/44/59/568904459.db2.gz XMQBERXKUZDVAQ-UHFFFAOYSA-N 1 2 406.552 2.674 40 0 HFABLO OCCCNc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000329054803 568974912 /nfs/dbraw/zinc/97/49/12/568974912.db2.gz VLNWFRJBJZTDAB-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO OCCCNc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329069687 568975727 /nfs/dbraw/zinc/97/57/27/568975727.db2.gz YZNPWLJUNRYJQM-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO O=C(C[C@H]1SC(=O)NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026533287 569047819 /nfs/dbraw/zinc/04/78/19/569047819.db2.gz HYZVPIZURZQPCF-GOSISDBHSA-N 1 2 409.511 2.662 40 0 HFABLO CCOC(=O)[C@]1(C)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000245229741 569313803 /nfs/dbraw/zinc/31/38/03/569313803.db2.gz DZZMEVXEULESIY-PWSZPPJVSA-N 1 2 422.481 2.776 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2C[C@H]1C ZINC000248135806 569316435 /nfs/dbraw/zinc/31/64/35/569316435.db2.gz OLSLDDRRLDTFEL-ZHRRBRCNSA-N 1 2 413.543 2.662 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2C[C@H]1C ZINC000248135806 569316436 /nfs/dbraw/zinc/31/64/36/569316436.db2.gz OLSLDDRRLDTFEL-ZHRRBRCNSA-N 1 2 413.543 2.662 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)[C@@H](c2ccccc2)C1 ZINC000019589376 569345796 /nfs/dbraw/zinc/34/57/96/569345796.db2.gz UURLQFWYXQMXMS-IFMALSPDSA-N 1 2 419.525 2.950 40 0 HFABLO C[N@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)[C@@H](c2ccccc2)C1 ZINC000019589376 569345797 /nfs/dbraw/zinc/34/57/97/569345797.db2.gz UURLQFWYXQMXMS-IFMALSPDSA-N 1 2 419.525 2.950 40 0 HFABLO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@H+](CCOCc3ccccc3)CCO2)n1 ZINC000019692886 569346228 /nfs/dbraw/zinc/34/62/28/569346228.db2.gz DDIYQBYDSUIVRZ-NRFANRHFSA-N 1 2 420.517 2.590 40 0 HFABLO CN(C)c1ncc(-c2cncnc2)c([C@@H]2C[N@@H+](CCOCc3ccccc3)CCO2)n1 ZINC000019692886 569346229 /nfs/dbraw/zinc/34/62/29/569346229.db2.gz DDIYQBYDSUIVRZ-NRFANRHFSA-N 1 2 420.517 2.590 40 0 HFABLO Cc1nc(Nc2nccnc2C2CCN(C(=O)C=Cc3c[nH]c[nH+]3)CC2)sc1C ZINC000585290875 571309881 /nfs/dbraw/zinc/30/98/81/571309881.db2.gz GQTVLIHOMRZBAX-ONEGZZNKSA-N 1 2 409.519 3.436 40 0 HFABLO O=C1C[C@@H]([NH+]2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000001441445 132246164 /nfs/dbraw/zinc/24/61/64/132246164.db2.gz GACXALCRISFOOL-GOSISDBHSA-N 1 2 403.841 2.639 40 0 HFABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1)N1CCCCCC1 ZINC000408594345 557512130 /nfs/dbraw/zinc/51/21/30/557512130.db2.gz OPKVFVMOVUNDDB-UHFFFAOYSA-N 1 2 405.524 2.660 40 0 HFABLO CCOc1ccc([C@H](c2nnnn2C(C)(C)CC)[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000004862047 557607794 /nfs/dbraw/zinc/60/77/94/557607794.db2.gz HFEHSCUQGOCHRE-GOSISDBHSA-N 1 2 400.527 2.504 40 0 HFABLO COc1cccc(CCNc2nc([C@H]3CCCN(C(C)=O)C3)nc3c2C[N@H+](C)CC3)c1 ZINC000019752409 558272022 /nfs/dbraw/zinc/27/20/22/558272022.db2.gz PEHRDZGALPEAPK-IBGZPJMESA-N 1 2 423.561 2.854 40 0 HFABLO COc1cccc(CCNc2nc([C@H]3CCCN(C(C)=O)C3)nc3c2C[N@@H+](C)CC3)c1 ZINC000019752409 558272026 /nfs/dbraw/zinc/27/20/26/558272026.db2.gz PEHRDZGALPEAPK-IBGZPJMESA-N 1 2 423.561 2.854 40 0 HFABLO Cc1cc(C)cc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000020461882 558373370 /nfs/dbraw/zinc/37/33/70/558373370.db2.gz USBPGARYKURJJB-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO O=C(c1cccc(CN2CCOCC2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022514977 558493725 /nfs/dbraw/zinc/49/37/25/558493725.db2.gz FUIBEZHPHSOTPJ-WEVVVXLNSA-N 1 2 405.542 2.990 40 0 HFABLO Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1Cl ZINC000014428798 558654685 /nfs/dbraw/zinc/65/46/85/558654685.db2.gz BTZJXUKQFGLXBG-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO COCCCNC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030752325 558736300 /nfs/dbraw/zinc/73/63/00/558736300.db2.gz KOVJYVSAANARHI-UHFFFAOYSA-N 1 2 411.502 2.537 40 0 HFABLO COc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286737 558860572 /nfs/dbraw/zinc/86/05/72/558860572.db2.gz GWOAQSDJCXGQAQ-NVXWUHKLSA-N 1 2 406.486 2.911 40 0 HFABLO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000019405590 558884838 /nfs/dbraw/zinc/88/48/38/558884838.db2.gz OFDSDXYJJYZWLC-SFHVURJKSA-N 1 2 403.486 2.629 40 0 HFABLO Cc1nn(-c2ccc(F)cc2)c2nc3c(cc12)CN(CC[NH+]1CCOCC1)C(=O)O3 ZINC000019565686 558925454 /nfs/dbraw/zinc/92/54/54/558925454.db2.gz MBAGSNZXWXJSHT-UHFFFAOYSA-N 1 2 411.437 2.515 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335610 558936746 /nfs/dbraw/zinc/93/67/46/558936746.db2.gz LOWPMQXJKZZFEU-INIZCTEOSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5CCC[C@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000072335610 558936748 /nfs/dbraw/zinc/93/67/48/558936748.db2.gz LOWPMQXJKZZFEU-INIZCTEOSA-N 1 2 420.513 2.979 40 0 HFABLO COc1cccc([C@@H](NC(=O)c2cc(-c3cn(C)nc3C)no2)c2[nH+]ccn2C)c1 ZINC000019584082 558938311 /nfs/dbraw/zinc/93/83/11/558938311.db2.gz UHZKMRSZXFTUER-LJQANCHMSA-N 1 2 406.446 2.645 40 0 HFABLO COc1ccc(CNc2nc(C3CCN(C(C)=O)CC3)nc3c2C[N@H+](C)CC3)cc1 ZINC000072372286 558959535 /nfs/dbraw/zinc/95/95/35/558959535.db2.gz SQUNIBWQLZZXBN-UHFFFAOYSA-N 1 2 409.534 2.811 40 0 HFABLO COc1ccc(CNc2nc(C3CCN(C(C)=O)CC3)nc3c2C[N@@H+](C)CC3)cc1 ZINC000072372286 558959536 /nfs/dbraw/zinc/95/95/36/558959536.db2.gz SQUNIBWQLZZXBN-UHFFFAOYSA-N 1 2 409.534 2.811 40 0 HFABLO O=C(C[N@@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1)Nc1ccc(F)cc1 ZINC000072377598 558966625 /nfs/dbraw/zinc/96/66/25/558966625.db2.gz MUCDVMUTNRJQIV-HNNXBMFYSA-N 1 2 407.453 2.967 40 0 HFABLO O=C(C[N@H+]1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1)Nc1ccc(F)cc1 ZINC000072377598 558966627 /nfs/dbraw/zinc/96/66/27/558966627.db2.gz MUCDVMUTNRJQIV-HNNXBMFYSA-N 1 2 407.453 2.967 40 0 HFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1C[N@H+](C)CC2 ZINC000019710402 558972318 /nfs/dbraw/zinc/97/23/18/558972318.db2.gz IPNPXTWASIWODL-GOSISDBHSA-N 1 2 410.522 2.763 40 0 HFABLO CN(C)c1nc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)nc2c1C[N@@H+](C)CC2 ZINC000019710402 558972320 /nfs/dbraw/zinc/97/23/20/558972320.db2.gz IPNPXTWASIWODL-GOSISDBHSA-N 1 2 410.522 2.763 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N(C)[C@@H](C)Cc4ccccn4)n2)C[N@H+](C)CC3)CC1 ZINC000019710509 558972641 /nfs/dbraw/zinc/97/26/41/558972641.db2.gz APMJXODBDUUMIH-KRWDZBQOSA-N 1 2 422.577 2.653 40 0 HFABLO CC(=O)N1CCC(c2nc3c(c(N(C)[C@@H](C)Cc4ccccn4)n2)C[N@@H+](C)CC3)CC1 ZINC000019710509 558972644 /nfs/dbraw/zinc/97/26/44/558972644.db2.gz APMJXODBDUUMIH-KRWDZBQOSA-N 1 2 422.577 2.653 40 0 HFABLO Cn1c[nH+]c([C@H]2C[C@]3(CN2C(=O)Cc2ccccc2)CCCN(CC2CC2)C3=O)c1 ZINC000585106498 559028804 /nfs/dbraw/zinc/02/88/04/559028804.db2.gz YRDCKSPTZLPOMF-QPPBQGQZSA-N 1 2 406.530 2.955 40 0 HFABLO CC(C)Nc1nc(N2CCCC2)[nH+]c2c1CN(S(=O)(=O)c1cccs1)CC2 ZINC000096254256 559105864 /nfs/dbraw/zinc/10/58/64/559105864.db2.gz JDLCGLCWKNFEDF-UHFFFAOYSA-N 1 2 407.565 2.706 40 0 HFABLO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)cn1 ZINC000514289964 560031083 /nfs/dbraw/zinc/03/10/83/560031083.db2.gz QTRHSYVCUFUJDZ-JAXLGGSGSA-N 1 2 410.543 2.978 40 0 biogenic,in-vitro HFABLO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)c3ccccc3)[C@@H]2c2cccs2)cn1 ZINC000514289964 560031085 /nfs/dbraw/zinc/03/10/85/560031085.db2.gz QTRHSYVCUFUJDZ-JAXLGGSGSA-N 1 2 410.543 2.978 40 0 biogenic,in-vitro HFABLO CC1=C[C@@H](CNC(=O)Cn2cnnn2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000072320806 560077341 /nfs/dbraw/zinc/07/73/41/560077341.db2.gz AMJQTYPIKXMXOV-BZSNNMDCSA-N 1 2 407.522 2.763 40 0 biogenic,in-vitro HFABLO Cc1ccc2cc(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926172 560556853 /nfs/dbraw/zinc/55/68/53/560556853.db2.gz CBUMMQJPSICOLH-HXUWFJFHSA-N 1 2 422.533 2.947 40 0 HFABLO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)c(=O)[nH]c2c1 ZINC000000926172 560556854 /nfs/dbraw/zinc/55/68/54/560556854.db2.gz CBUMMQJPSICOLH-HXUWFJFHSA-N 1 2 422.533 2.947 40 0 HFABLO COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000004388908 560605737 /nfs/dbraw/zinc/60/57/37/560605737.db2.gz CYSCIEFIGJZUKN-UHFFFAOYSA-N 1 2 409.486 2.615 40 0 HFABLO Cc1nn2c(nnc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc2ccccc21 ZINC000014607675 560847108 /nfs/dbraw/zinc/84/71/08/560847108.db2.gz OJIHTIXXXSGDMF-UHFFFAOYSA-N 1 2 400.486 2.949 40 0 HFABLO CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(C)=O ZINC000223352578 568546173 /nfs/dbraw/zinc/54/61/73/568546173.db2.gz CWICJRRCRZFRRT-UHFFFAOYSA-N 1 2 419.572 2.873 40 0 HFABLO CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000223867548 568561460 /nfs/dbraw/zinc/56/14/60/568561460.db2.gz SDSWTYXJYHRSAY-UHFFFAOYSA-N 1 2 410.499 2.650 40 0 HFABLO CCOc1ccc(Nc2cc(C)nc(NC(=S)NCC[NH+]3CCOCC3)n2)cc1 ZINC000225201363 568622554 /nfs/dbraw/zinc/62/25/54/568622554.db2.gz CWCOGTFZWOIRJS-UHFFFAOYSA-N 1 2 416.551 2.546 40 0 HFABLO COc1ccccc1NC(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000225769977 568673206 /nfs/dbraw/zinc/67/32/06/568673206.db2.gz UJVQJDFGNWFIQE-UHFFFAOYSA-N 1 2 418.519 2.584 40 0 HFABLO Cc1nc(N)cc(C2(C)CCN(C(=O)C(C)(C)NC(=O)CCc3ccccc3)CC2)[nH+]1 ZINC000257209463 568778916 /nfs/dbraw/zinc/77/89/16/568778916.db2.gz BQMQMLHADBJOJP-UHFFFAOYSA-N 1 2 423.561 2.775 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1O ZINC000257222755 568782768 /nfs/dbraw/zinc/78/27/68/568782768.db2.gz DUOZTVHMHNHWGH-OAQYLSRUSA-N 1 2 420.893 2.580 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)cc1O ZINC000257222755 568782769 /nfs/dbraw/zinc/78/27/69/568782769.db2.gz DUOZTVHMHNHWGH-OAQYLSRUSA-N 1 2 420.893 2.580 40 0 HFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257250780 568790473 /nfs/dbraw/zinc/79/04/73/568790473.db2.gz JNYYRBFRYVAUGN-YLJYHZDGSA-N 1 2 405.495 2.691 40 0 HFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@]12CCCO2 ZINC000257250780 568790474 /nfs/dbraw/zinc/79/04/74/568790474.db2.gz JNYYRBFRYVAUGN-YLJYHZDGSA-N 1 2 405.495 2.691 40 0 HFABLO CCCn1ncc(C[N@@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1C ZINC000257258997 568792443 /nfs/dbraw/zinc/79/24/43/568792443.db2.gz KWJZHPVDTXRHBO-NRFANRHFSA-N 1 2 420.941 2.780 40 0 HFABLO CCCn1ncc(C[N@H+]2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1C ZINC000257258997 568792444 /nfs/dbraw/zinc/79/24/44/568792444.db2.gz KWJZHPVDTXRHBO-NRFANRHFSA-N 1 2 420.941 2.780 40 0 HFABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)nc[nH+]1 ZINC000257265314 568794299 /nfs/dbraw/zinc/79/42/99/568794299.db2.gz LYDWDSIZDZNMLO-HSZRJFAPSA-N 1 2 422.533 2.888 40 0 HFABLO CCCCc1[nH]c(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c[nH+]1 ZINC000257341061 568816524 /nfs/dbraw/zinc/81/65/24/568816524.db2.gz ZIRMVTSVQUVOCW-OAQYLSRUSA-N 1 2 420.941 2.931 40 0 HFABLO CCCCc1[nH]cc(CN2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)[nH+]1 ZINC000257341061 568816526 /nfs/dbraw/zinc/81/65/26/568816526.db2.gz ZIRMVTSVQUVOCW-OAQYLSRUSA-N 1 2 420.941 2.931 40 0 HFABLO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257341878 568816643 /nfs/dbraw/zinc/81/66/43/568816643.db2.gz ZMHGSRCKKDSMIF-MBOZVWFJSA-N 1 2 401.898 2.877 40 0 HFABLO COc1ccccc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306139712 568901652 /nfs/dbraw/zinc/90/16/52/568901652.db2.gz TYDBTNTYGVKDNL-UGKGYDQZSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccccc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306139712 568901653 /nfs/dbraw/zinc/90/16/53/568901653.db2.gz TYDBTNTYGVKDNL-UGKGYDQZSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000101347174 568916999 /nfs/dbraw/zinc/91/69/99/568916999.db2.gz YFJVTDOSLWIELC-WTGUMLROSA-N 1 2 408.429 2.669 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000101347174 568917001 /nfs/dbraw/zinc/91/70/01/568917001.db2.gz YFJVTDOSLWIELC-WTGUMLROSA-N 1 2 408.429 2.669 40 0 HFABLO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000102073601 568937028 /nfs/dbraw/zinc/93/70/28/568937028.db2.gz MSAVAZBLLNMDPI-WBVHZDCISA-N 1 2 423.439 2.940 40 0 HFABLO C[C@@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328998624 568972059 /nfs/dbraw/zinc/97/20/59/568972059.db2.gz JTQPWRNQCMBKLY-ZDUSSCGKSA-N 1 2 414.307 2.550 40 0 HFABLO COCCN1CC=CC[C@@]2(C[N@H+](Cc3nc4ccccc4n3C(C)C)CCO2)C1=O ZINC000019704477 569347709 /nfs/dbraw/zinc/34/77/09/569347709.db2.gz ZKLOACYTEYAZHG-HSZRJFAPSA-N 1 2 412.534 2.623 40 0 HFABLO COCCN1CC=CC[C@@]2(C[N@@H+](Cc3nc4ccccc4n3C(C)C)CCO2)C1=O ZINC000019704477 569347710 /nfs/dbraw/zinc/34/77/10/569347710.db2.gz ZKLOACYTEYAZHG-HSZRJFAPSA-N 1 2 412.534 2.623 40 0 HFABLO CCOC(=O)C1C(C[NH2+]Cc2ccc(C)cc2)=NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979069 569375541 /nfs/dbraw/zinc/37/55/41/569375541.db2.gz GILMSJQKSVCVIP-OAQYLSRUSA-N 1 2 423.469 2.685 40 0 HFABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464397 575366801 /nfs/dbraw/zinc/36/68/01/575366801.db2.gz DAJPGDDKJXXSPN-IRXDYDNUSA-N 1 2 421.457 2.710 40 0 biogenic,in-vitro HFABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464397 575366804 /nfs/dbraw/zinc/36/68/04/575366804.db2.gz DAJPGDDKJXXSPN-IRXDYDNUSA-N 1 2 421.457 2.710 40 0 biogenic,in-vitro HFABLO COc1cccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4c[nH+]c[nH]4)CC[C@H]3C2)c1 ZINC000031153280 291225687 /nfs/dbraw/zinc/22/56/87/291225687.db2.gz NFZVUENETKJRSQ-IRXDYDNUSA-N 1 2 411.506 2.753 40 0 biogenic,in-vitro HFABLO COc1cccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4c[nH]c[nH+]4)CC[C@H]3C2)c1 ZINC000031153280 291225689 /nfs/dbraw/zinc/22/56/89/291225689.db2.gz NFZVUENETKJRSQ-IRXDYDNUSA-N 1 2 411.506 2.753 40 0 biogenic,in-vitro HFABLO CC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000044900234 523785924 /nfs/dbraw/zinc/78/59/24/523785924.db2.gz LBLZLKLOJGXREJ-LJQANCHMSA-N 1 2 412.515 2.733 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004847480 557606082 /nfs/dbraw/zinc/60/60/82/557606082.db2.gz DCGQSRIFZHOOLU-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004847480 557606085 /nfs/dbraw/zinc/60/60/85/557606085.db2.gz DCGQSRIFZHOOLU-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO COCCn1nnnc1[C@H](C(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290734 557676176 /nfs/dbraw/zinc/67/61/76/557676176.db2.gz NWMIQIDYNKTYBM-KRWDZBQOSA-N 1 2 412.460 2.858 40 0 HFABLO COC(=O)c1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408704358 557729613 /nfs/dbraw/zinc/72/96/13/557729613.db2.gz MLSVVXPSHDZEIL-IBGZPJMESA-N 1 2 419.441 2.654 40 0 HFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019759699 558275896 /nfs/dbraw/zinc/27/58/96/558275896.db2.gz VRZDLFLGLCIEMG-QFIPXVFZSA-N 1 2 407.518 2.988 40 0 HFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019759699 558275899 /nfs/dbraw/zinc/27/58/99/558275899.db2.gz VRZDLFLGLCIEMG-QFIPXVFZSA-N 1 2 407.518 2.988 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019819903 558290211 /nfs/dbraw/zinc/29/02/11/558290211.db2.gz MCEVORYGIBMABG-LLVKDONJSA-N 1 2 418.860 2.906 40 0 HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000019819991 558290394 /nfs/dbraw/zinc/29/03/94/558290394.db2.gz KBANLKYTIORLMD-GFCCVEGCSA-N 1 2 420.395 2.742 40 0 HFABLO Cc1ccc(C)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000020450878 558365563 /nfs/dbraw/zinc/36/55/63/558365563.db2.gz XOBUPMWZTUXCRT-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000016740353 558803311 /nfs/dbraw/zinc/80/33/11/558803311.db2.gz BVBQZXPPWDMFFZ-UHFFFAOYSA-N 1 2 423.922 2.537 40 0 HFABLO COCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000038829793 558816418 /nfs/dbraw/zinc/81/64/18/558816418.db2.gz WDFLTWPENNNOQN-UHFFFAOYSA-N 1 2 413.909 2.892 40 0 HFABLO C[C@@H](C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079100 558838802 /nfs/dbraw/zinc/83/88/02/558838802.db2.gz XUMAJTGEWHUFHO-LPHOPBHVSA-N 1 2 412.925 2.765 40 0 HFABLO COc1ccc(CCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000046080874 558839516 /nfs/dbraw/zinc/83/95/16/558839516.db2.gz OIOJQQYMTGJLSI-UHFFFAOYSA-N 1 2 412.486 2.710 40 0 HFABLO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019501113 558898986 /nfs/dbraw/zinc/89/89/86/558898986.db2.gz JVMNHALOSCFKFM-KRWDZBQOSA-N 1 2 410.518 2.865 40 0 HFABLO CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019501113 558898989 /nfs/dbraw/zinc/89/89/89/558898989.db2.gz JVMNHALOSCFKFM-KRWDZBQOSA-N 1 2 410.518 2.865 40 0 HFABLO Cc1cc([C@H](O)C[NH+]2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c(C)s1 ZINC000019567869 558927008 /nfs/dbraw/zinc/92/70/08/558927008.db2.gz WBSIHRZPTCFTOF-GOSISDBHSA-N 1 2 416.515 2.683 40 0 HFABLO Cc1cc(C)n(CCC(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c(=O)n1 ZINC000019572531 558930689 /nfs/dbraw/zinc/93/06/89/558930689.db2.gz DJWNYENCNLQQII-UHFFFAOYSA-N 1 2 422.533 2.762 40 0 HFABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019591925 558942912 /nfs/dbraw/zinc/94/29/12/558942912.db2.gz FTVROHQSKKDYEX-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019591925 558942915 /nfs/dbraw/zinc/94/29/15/558942915.db2.gz FTVROHQSKKDYEX-DEOSSOPVSA-N 1 2 402.498 2.703 40 0 HFABLO CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@H]2C[N@H+](C)CCO2)CC1 ZINC000072356323 558953284 /nfs/dbraw/zinc/95/32/84/558953284.db2.gz OVHKCWOKRYCSLV-QGZVFWFLSA-N 1 2 401.532 2.645 40 0 HFABLO CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000072356323 558953288 /nfs/dbraw/zinc/95/32/88/558953288.db2.gz OVHKCWOKRYCSLV-QGZVFWFLSA-N 1 2 401.532 2.645 40 0 HFABLO Cc1ccccc1OCCC(=O)N1CCO[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000072370859 558957490 /nfs/dbraw/zinc/95/74/90/558957490.db2.gz QYVQMXIIXXKVNB-FQEVSTJZSA-N 1 2 419.485 2.798 40 0 HFABLO Cc1ccc([C@H](CNC(=O)c2cc(=O)n(C)c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000019714431 558974427 /nfs/dbraw/zinc/97/44/27/558974427.db2.gz CFJNLDWMRLIARN-QFIPXVFZSA-N 1 2 405.498 2.650 40 0 HFABLO Cc1cc(C)n(Cc2cc(C(=O)N[C@H](C)C[NH+]3CCOCC3)c3ccccc3n2)n1 ZINC000019716450 558978286 /nfs/dbraw/zinc/97/82/86/558978286.db2.gz GLULACGIIRJHSZ-QGZVFWFLSA-N 1 2 407.518 2.547 40 0 HFABLO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585105000 559027534 /nfs/dbraw/zinc/02/75/34/559027534.db2.gz XPDRCVZWNUXDOB-OAQYLSRUSA-N 1 2 405.445 2.821 40 0 HFABLO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585105000 559027535 /nfs/dbraw/zinc/02/75/35/559027535.db2.gz XPDRCVZWNUXDOB-OAQYLSRUSA-N 1 2 405.445 2.821 40 0 HFABLO COCCN(CCOC)C(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037542 559091200 /nfs/dbraw/zinc/09/12/00/559091200.db2.gz WNUCCNFDPOBDCS-JOCHJYFZSA-N 1 2 414.550 2.685 40 0 HFABLO C[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096144962 559097023 /nfs/dbraw/zinc/09/70/23/559097023.db2.gz HBBVTAXVLABUEJ-UHFFFAOYSA-N 1 2 401.514 2.951 40 0 HFABLO C[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)Cc1ccccn1)CC2 ZINC000096144962 559097024 /nfs/dbraw/zinc/09/70/24/559097024.db2.gz HBBVTAXVLABUEJ-UHFFFAOYSA-N 1 2 401.514 2.951 40 0 HFABLO CN(C)C(=O)[C@@]12CN(c3cccc[nH+]3)C[C@@H]1CN(C(=O)Nc1ccccc1)CCC2 ZINC000096251242 559105314 /nfs/dbraw/zinc/10/53/14/559105314.db2.gz PKMDUTHJOGSKSS-MBSDFSHPSA-N 1 2 407.518 2.920 40 0 HFABLO Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=[NH+][C@H]2c1ccc(OCCC(C)C)cc1 ZINC000104279747 559159741 /nfs/dbraw/zinc/15/97/41/559159741.db2.gz UBRXMQQSQVKWBD-HXUWFJFHSA-N 1 2 411.506 2.637 40 0 HFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)[NH+]1CCCC1 ZINC000000913333 560546432 /nfs/dbraw/zinc/54/64/32/560546432.db2.gz REFRDGMZFLATFO-LJQANCHMSA-N 1 2 424.505 2.616 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)[NH+]1CCCC1)OCO3 ZINC000004161894 560601974 /nfs/dbraw/zinc/60/19/74/560601974.db2.gz CZVDIKDPONLVCK-IBGZPJMESA-N 1 2 408.462 2.544 40 0 HFABLO CCSc1nnc(C2CC[NH+](Cc3nnnn3CCc3ccccc3)CC2)n1C ZINC000005001383 560620010 /nfs/dbraw/zinc/62/00/10/560620010.db2.gz OYUZPSMFHBPHJL-UHFFFAOYSA-N 1 2 412.567 2.536 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1C[NH2+]c1ccc(N2CCC[C@H](O)C2)cc1)OCCO3 ZINC000013563074 560816110 /nfs/dbraw/zinc/81/61/10/560816110.db2.gz AGWPYAUPEISRCH-IBGZPJMESA-N 1 2 407.470 2.873 40 0 HFABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502174 560873852 /nfs/dbraw/zinc/87/38/52/560873852.db2.gz KKYRICWKTWJNLC-CMCWBKRRSA-N 1 2 422.481 2.944 40 0 HFABLO COc1ccc(-c2noc(CN(C)C(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)cc1 ZINC000219249043 568488533 /nfs/dbraw/zinc/48/85/33/568488533.db2.gz AEFYADRJXJMFIJ-UHFFFAOYSA-N 1 2 422.485 2.850 40 0 HFABLO C[C@@]1(O)CC[N@H+](Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383126 568489616 /nfs/dbraw/zinc/48/96/16/568489616.db2.gz NNAASQKSUUNJPV-IRFCIJBXSA-N 1 2 400.548 2.911 40 0 biogenic,in-vitro HFABLO C[C@@]1(O)CC[N@@H+](Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383126 568489617 /nfs/dbraw/zinc/48/96/17/568489617.db2.gz NNAASQKSUUNJPV-IRFCIJBXSA-N 1 2 400.548 2.911 40 0 biogenic,in-vitro HFABLO Cc1c(Cl)cccc1N(CCCC(=O)NCCCn1cc[nH+]c1)S(C)(=O)=O ZINC000223225218 568541595 /nfs/dbraw/zinc/54/15/95/568541595.db2.gz GZKZMZUEZHCKFY-UHFFFAOYSA-N 1 2 412.943 2.598 40 0 HFABLO CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223341546 568545877 /nfs/dbraw/zinc/54/58/77/568545877.db2.gz ZJUHABBNWMOVSW-QHCPKHFHSA-N 1 2 409.530 2.615 40 0 HFABLO CN(c1ccc(C(=O)N2CC[NH+](C)CC2)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224233243 568574778 /nfs/dbraw/zinc/57/47/78/568574778.db2.gz UPUQUYQZOIEIOT-UHFFFAOYSA-N 1 2 407.923 2.553 40 0 HFABLO Cc1cccc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c(=O)oc12 ZINC000226035458 568691487 /nfs/dbraw/zinc/69/14/87/568691487.db2.gz VGPHAPOKEBOUFK-UHFFFAOYSA-N 1 2 406.438 2.788 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4cccc(OC)c4)n[nH]3)C2)cn1 ZINC000257265600 568794238 /nfs/dbraw/zinc/79/42/38/568794238.db2.gz LZJAFOHOUIZLKR-JOCHJYFZSA-N 1 2 411.506 2.830 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4cccc(OC)c4)n[nH]3)C2)cn1 ZINC000257265600 568794241 /nfs/dbraw/zinc/79/42/41/568794241.db2.gz LZJAFOHOUIZLKR-JOCHJYFZSA-N 1 2 411.506 2.830 40 0 HFABLO Cc1noc(C)c1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257276692 568797477 /nfs/dbraw/zinc/79/74/77/568797477.db2.gz NUTAQDIXDYYSEX-QHCPKHFHSA-N 1 2 423.517 2.657 40 0 HFABLO CN(C(=O)CCc1nc2cc(Cl)ccc2n1C)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257296480 568803404 /nfs/dbraw/zinc/80/34/04/568803404.db2.gz RDAWUAFXJYOYOB-MBOZVWFJSA-N 1 2 401.898 2.579 40 0 HFABLO COc1cccc(C[N@@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123437 568886635 /nfs/dbraw/zinc/88/66/35/568886635.db2.gz ANABOCNNZPOZIQ-UWJYYQICSA-N 1 2 416.547 2.799 40 0 HFABLO COc1cccc(C[N@H+]2CCO[C@@]3(CCCC[C@@H]3NC(=O)c3scnc3C)C2)n1 ZINC000306123437 568886637 /nfs/dbraw/zinc/88/66/37/568886637.db2.gz ANABOCNNZPOZIQ-UWJYYQICSA-N 1 2 416.547 2.799 40 0 HFABLO Cc1nc2c(n1C(C)C)C[N@H+](Cc1cnn(C)c1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306131980 568894082 /nfs/dbraw/zinc/89/40/82/568894082.db2.gz KUOVFUWUJUUQAO-UHFFFAOYSA-N 1 2 413.570 2.537 40 0 HFABLO Cc1nc2c(n1C(C)C)C[N@@H+](Cc1cnn(C)c1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306131980 568894084 /nfs/dbraw/zinc/89/40/84/568894084.db2.gz KUOVFUWUJUUQAO-UHFFFAOYSA-N 1 2 413.570 2.537 40 0 HFABLO Cc1[nH+]c2c(n1C(C)C)CN(Cc1cnn(C)c1)CC21CCN(C(=O)N(C)C)CC1 ZINC000306131980 568894085 /nfs/dbraw/zinc/89/40/85/568894085.db2.gz KUOVFUWUJUUQAO-UHFFFAOYSA-N 1 2 413.570 2.537 40 0 HFABLO Cc1ccccc1CC(=O)N1C[C@H](c2cn(C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306140517 568902387 /nfs/dbraw/zinc/90/23/87/568902387.db2.gz UVZOVSXDTUAXJC-HYBUGGRVSA-N 1 2 406.530 2.526 40 0 HFABLO CCC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306144211 568905671 /nfs/dbraw/zinc/90/56/71/568905671.db2.gz YZHHTUCLSKPKIW-UTKZUKDTSA-N 1 2 415.563 2.984 40 0 HFABLO O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000049031210 569048191 /nfs/dbraw/zinc/04/81/91/569048191.db2.gz LCOLSEMYHNKGAR-GOSISDBHSA-N 1 2 400.479 2.769 40 0 HFABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@H+](CCc2ccccc2)CCO1 ZINC000019702794 569347471 /nfs/dbraw/zinc/34/74/71/569347471.db2.gz ZYEFTTACAOOSEX-GOSISDBHSA-N 1 2 411.527 2.634 40 0 HFABLO O=C(NCCO)c1sc2ncccc2c1[C@H]1C[N@@H+](CCc2ccccc2)CCO1 ZINC000019702794 569347472 /nfs/dbraw/zinc/34/74/72/569347472.db2.gz ZYEFTTACAOOSEX-GOSISDBHSA-N 1 2 411.527 2.634 40 0 HFABLO CN(c1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(C)(=O)=O ZINC000052410884 569352285 /nfs/dbraw/zinc/35/22/85/569352285.db2.gz NEODFBISOJLCCW-DHZHZOJOSA-N 1 2 413.543 2.554 40 0 HFABLO Cc1nc(Nc2nccnc2[C@@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)sc1C ZINC000585290809 571309905 /nfs/dbraw/zinc/30/99/05/571309905.db2.gz FXPGCAWKYDUPIO-LLYBFZRZSA-N 1 2 409.519 3.436 40 0 HFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@H+](C)C2)cc1 ZINC000020464373 575366302 /nfs/dbraw/zinc/36/63/02/575366302.db2.gz DBMJRBZJNFLHQD-IRXDYDNUSA-N 1 2 406.442 2.949 40 0 biogenic,in-vitro HFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@@H+](C)C2)cc1 ZINC000020464373 575366307 /nfs/dbraw/zinc/36/63/07/575366307.db2.gz DBMJRBZJNFLHQD-IRXDYDNUSA-N 1 2 406.442 2.949 40 0 biogenic,in-vitro HFABLO CCC(CC)C(=O)N1CC[N@@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253407446 291218320 /nfs/dbraw/zinc/21/83/20/291218320.db2.gz WKNAINRAWAZKBY-FQEVSTJZSA-N 1 2 400.567 2.939 40 0 biogenic,in-vitro HFABLO CCC(CC)C(=O)N1CC[N@H+]2[C@@H](C1)CN(C(=O)NCc1ccccc1)CC2(C)C ZINC000253407446 291218322 /nfs/dbraw/zinc/21/83/22/291218322.db2.gz WKNAINRAWAZKBY-FQEVSTJZSA-N 1 2 400.567 2.939 40 0 biogenic,in-vitro HFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1C(=O)c1ccc(F)cc1 ZINC000012530281 291221153 /nfs/dbraw/zinc/22/11/53/291221153.db2.gz XDWAIEBNJNNTAP-FQEVSTJZSA-N 1 2 423.444 2.819 40 0 biogenic,in-vitro HFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)c1ccc(OC)cc1 ZINC000012530243 291221398 /nfs/dbraw/zinc/22/13/98/291221398.db2.gz VDDNNKIJLFRPTN-FQEVSTJZSA-N 1 2 405.454 2.680 40 0 biogenic,in-vitro HFABLO COCc1nn2c(ncc3c2ccn(CCc2c[nH+]c[nH]2)c3=O)c1-c1ccccc1 ZINC000040396477 523248123 /nfs/dbraw/zinc/24/81/23/523248123.db2.gz ISGBTZRGQHVOOY-UHFFFAOYSA-N 1 2 400.442 2.823 40 0 HFABLO COCc1nn2c(ncc3c2ccn(CCc2c[nH]c[nH+]2)c3=O)c1-c1ccccc1 ZINC000040396477 523248135 /nfs/dbraw/zinc/24/81/35/523248135.db2.gz ISGBTZRGQHVOOY-UHFFFAOYSA-N 1 2 400.442 2.823 40 0 HFABLO COc1ccccc1N1CC[NH+]([C@@H](CC(C)C)c2nnnn2C[C@@H]2CCCO2)CC1 ZINC000035310983 557693020 /nfs/dbraw/zinc/69/30/20/557693020.db2.gz JUIARPUHTXRZLA-ICSRJNTNSA-N 1 2 414.554 2.770 40 0 HFABLO CCn1c(C)[nH+]c2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCC4)c3)ccc21 ZINC000019750900 558270998 /nfs/dbraw/zinc/27/09/98/558270998.db2.gz GYPLLBXVYOUCFZ-UHFFFAOYSA-N 1 2 421.501 2.837 40 0 HFABLO CS(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000019933167 558311065 /nfs/dbraw/zinc/31/10/65/558311065.db2.gz LMGYQEORLMOUOC-UHFFFAOYSA-N 1 2 407.923 2.670 40 0 HFABLO Cc1nc(NC2CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)c1C ZINC000012113675 558327083 /nfs/dbraw/zinc/32/70/83/558327083.db2.gz UJNLSBOOHDZCNB-UHFFFAOYSA-N 1 2 423.439 2.921 40 0 HFABLO C[C@@H](CCc1ccccc1)NC(=O)C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2 ZINC000012145849 558337165 /nfs/dbraw/zinc/33/71/65/558337165.db2.gz OSHOWEBYMHEWPB-SFHVURJKSA-N 1 2 407.514 2.738 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)CC1 ZINC000037093236 558507277 /nfs/dbraw/zinc/50/72/77/558507277.db2.gz AWZOKNYUUHWJGN-UHFFFAOYSA-N 1 2 409.458 2.543 40 0 HFABLO CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000014428395 558654643 /nfs/dbraw/zinc/65/46/43/558654643.db2.gz KNYNJPKBFMCKMW-UHFFFAOYSA-N 1 2 405.545 2.597 40 0 HFABLO C[C@@H](C(=O)N1CCN([C@@H](c2[nH+]ccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079106 558838852 /nfs/dbraw/zinc/83/88/52/558838852.db2.gz XUMAJTGEWHUFHO-QFBILLFUSA-N 1 2 412.925 2.765 40 0 HFABLO Cc1ccn2cc(C(=O)N3CCN([C@@H](c4[nH+]ccn4C)c4ccccc4)CC3)nc2c1 ZINC000019238176 558857195 /nfs/dbraw/zinc/85/71/95/558857195.db2.gz OXMHDEMMLLEVEH-JOCHJYFZSA-N 1 2 414.513 2.924 40 0 HFABLO COc1cc(C(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)nc(OC)n1 ZINC000019240431 558859024 /nfs/dbraw/zinc/85/90/24/558859024.db2.gz TVLMCAJKUBRZIJ-CYBMUJFWSA-N 1 2 401.492 2.840 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1cc(F)ccc1F)CC3 ZINC000019550829 558915417 /nfs/dbraw/zinc/91/54/17/558915417.db2.gz FEDPNOKFRFMKOZ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1cc(F)ccc1F)CC3 ZINC000019550829 558915418 /nfs/dbraw/zinc/91/54/18/558915418.db2.gz FEDPNOKFRFMKOZ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335621 558936714 /nfs/dbraw/zinc/93/67/14/558936714.db2.gz TYWMKVGLEXZPBL-OAHLLOKOSA-N 1 2 406.486 2.671 40 0 HFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2coc4ccccc4c2=O)C3)C1 ZINC000072335621 558936716 /nfs/dbraw/zinc/93/67/16/558936716.db2.gz TYWMKVGLEXZPBL-OAHLLOKOSA-N 1 2 406.486 2.671 40 0 HFABLO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000072335862 558936958 /nfs/dbraw/zinc/93/69/58/558936958.db2.gz VMVPGVHYZMAPGL-UHFFFAOYSA-N 1 2 409.515 2.717 40 0 HFABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2ccncc2)CCO1 ZINC000019591924 558942881 /nfs/dbraw/zinc/94/28/81/558942881.db2.gz FTVROHQSKKDYEX-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2ccncc2)CCO1 ZINC000019591924 558942883 /nfs/dbraw/zinc/94/28/83/558942883.db2.gz FTVROHQSKKDYEX-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCOc3cccc(F)c3)n1)C[N@H+](C)CC2 ZINC000072372404 558959758 /nfs/dbraw/zinc/95/97/58/558959758.db2.gz RBMHSMRSRKVJPA-HXUWFJFHSA-N 1 2 413.497 2.778 40 0 HFABLO CC(=O)N1CCC[C@@H]1c1nc2c(c(NCCOc3cccc(F)c3)n1)C[N@@H+](C)CC2 ZINC000072372404 558959760 /nfs/dbraw/zinc/95/97/60/558959760.db2.gz RBMHSMRSRKVJPA-HXUWFJFHSA-N 1 2 413.497 2.778 40 0 HFABLO CC(=O)N1CCC(c2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cn2)CC1 ZINC000019708152 558970256 /nfs/dbraw/zinc/97/02/56/558970256.db2.gz ZQHWGICIMUTBDQ-HSZRJFAPSA-N 1 2 406.530 2.936 40 0 HFABLO CC(=O)N1CCC(c2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cn2)CC1 ZINC000019708152 558970259 /nfs/dbraw/zinc/97/02/59/558970259.db2.gz ZQHWGICIMUTBDQ-HSZRJFAPSA-N 1 2 406.530 2.936 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399133 558976585 /nfs/dbraw/zinc/97/65/85/558976585.db2.gz NXFGXNINQRZKCK-OXFYSEKESA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399133 558976586 /nfs/dbraw/zinc/97/65/86/558976586.db2.gz NXFGXNINQRZKCK-OXFYSEKESA-N 1 2 422.529 2.721 40 0 HFABLO COCCn1c(C(=O)NCC[NH+]2CCOCC2)cc2c1c1ccccc1n2C(C)C ZINC000096146348 559097844 /nfs/dbraw/zinc/09/78/44/559097844.db2.gz AXVNKFHSNGXJIK-UHFFFAOYSA-N 1 2 412.534 2.885 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154730 559099108 /nfs/dbraw/zinc/09/91/08/559099108.db2.gz KZOOQONRGUFHGO-UHFFFAOYSA-N 1 2 407.518 2.980 40 0 HFABLO Cc1cc(C)nc(Nc2cc([C@H]3CCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)nc(C)n2)n1 ZINC000585291343 559123737 /nfs/dbraw/zinc/12/37/37/559123737.db2.gz NVCWLPZGZNUYBN-APHBUQMISA-N 1 2 404.478 2.688 40 0 HFABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4ccncc4Cl)C[C@H]2N(C)C3=O)cn1 ZINC000514290372 560030043 /nfs/dbraw/zinc/03/00/43/560030043.db2.gz ZAWCNQQLXHFIJX-CTNGQTDRSA-N 1 2 423.904 2.853 40 0 biogenic,in-vitro HFABLO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccncc4Cl)C[C@H]2N(C)C3=O)cn1 ZINC000514290372 560030044 /nfs/dbraw/zinc/03/00/44/560030044.db2.gz ZAWCNQQLXHFIJX-CTNGQTDRSA-N 1 2 423.904 2.853 40 0 biogenic,in-vitro HFABLO COCCn1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212421 560603761 /nfs/dbraw/zinc/60/37/61/560603761.db2.gz ZWROWEDZAIATGD-FQEVSTJZSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212382 560603764 /nfs/dbraw/zinc/60/37/64/560603764.db2.gz YZDDTQSMESGFJC-HXUWFJFHSA-N 1 2 410.522 2.599 40 0 HFABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848026 560609671 /nfs/dbraw/zinc/60/96/71/560609671.db2.gz RUHZTRJVZHIQAU-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848026 560609673 /nfs/dbraw/zinc/60/96/73/560609673.db2.gz RUHZTRJVZHIQAU-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(C)c3)CC2)cc1OC ZINC000004908608 560617995 /nfs/dbraw/zinc/61/79/95/560617995.db2.gz CCJMBNSXQBOSSK-UHFFFAOYSA-N 1 2 411.502 2.845 40 0 HFABLO COc1ccc2nc3n(c2c1)CN(Cc1ccccc1)CN3CC[NH+]1CCOCC1 ZINC000007496217 560751167 /nfs/dbraw/zinc/75/11/67/560751167.db2.gz POCGOZJYARWNJH-UHFFFAOYSA-N 1 2 407.518 2.614 40 0 HFABLO O[C@@H](COc1ccccc1Cl)CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022874212 560891135 /nfs/dbraw/zinc/89/11/35/560891135.db2.gz VTAIZNMVHLWARG-QGZVFWFLSA-N 1 2 404.894 2.626 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccccc1Cl ZINC000216432092 568465292 /nfs/dbraw/zinc/46/52/92/568465292.db2.gz BJYACRQEVNUCTO-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO Cn1cc[nH+]c1CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1cccs1 ZINC000604383057 568489506 /nfs/dbraw/zinc/48/95/06/568489506.db2.gz BBDMFPBISXYYCL-IRFCIJBXSA-N 1 2 402.564 2.855 40 0 biogenic,in-vitro HFABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057640314 568494192 /nfs/dbraw/zinc/49/41/92/568494192.db2.gz BEZPKTBKYCXHHQ-UHFFFAOYSA-N 1 2 424.549 2.967 40 0 HFABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)Cc3nnnn3C3CCCCC3)cc2c1 ZINC000057640314 568494194 /nfs/dbraw/zinc/49/41/94/568494194.db2.gz BEZPKTBKYCXHHQ-UHFFFAOYSA-N 1 2 424.549 2.967 40 0 HFABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223585980 568552542 /nfs/dbraw/zinc/55/25/42/568552542.db2.gz BZTNXRDMVLJRID-NHCUHLMSSA-N 1 2 407.543 2.903 40 0 HFABLO CCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000224910827 568603743 /nfs/dbraw/zinc/60/37/43/568603743.db2.gz XXGBLJHKGRLBSS-UHFFFAOYSA-N 1 2 410.499 2.650 40 0 HFABLO CNC(=O)c1cc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)ccc1OC ZINC000224960715 568606046 /nfs/dbraw/zinc/60/60/46/568606046.db2.gz GRFJVAKDUQGWCP-UHFFFAOYSA-N 1 2 403.504 2.846 40 0 HFABLO Cc1ccc(NC(=S)Nc2ccc(F)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225460506 568640206 /nfs/dbraw/zinc/64/02/06/568640206.db2.gz WALXPMKGXWMQCE-UHFFFAOYSA-N 1 2 422.551 2.879 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@H](OC)C3)sc2c1 ZINC000257219059 568781632 /nfs/dbraw/zinc/78/16/32/568781632.db2.gz DFLQBHLAQOMUQR-XLIONFOSSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@H](OC)C3)sc2c1 ZINC000257219059 568781633 /nfs/dbraw/zinc/78/16/33/568781633.db2.gz DFLQBHLAQOMUQR-XLIONFOSSA-N 1 2 405.520 2.903 40 0 HFABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)nc[nH+]1 ZINC000257342242 568816899 /nfs/dbraw/zinc/81/68/99/568816899.db2.gz ZNSYYIMMMDXJFU-QHCPKHFHSA-N 1 2 422.533 2.819 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3cccnc3)C[C@H]1S2(=O)=O ZINC000306132332 568894515 /nfs/dbraw/zinc/89/45/15/568894515.db2.gz LFGRRUVVCLVTHE-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1S2(=O)=O ZINC000306132332 568894517 /nfs/dbraw/zinc/89/45/17/568894517.db2.gz LFGRRUVVCLVTHE-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO Cc1cccc(CN2CCC[C@]3(CN(Cc4c[nH+]cn4C)CC(F)(F)C3)C2=O)n1 ZINC000306134302 568896370 /nfs/dbraw/zinc/89/63/70/568896370.db2.gz NIMAMQQVNVYVGM-FQEVSTJZSA-N 1 2 403.477 2.774 40 0 HFABLO O=C1c2c(C[NH2+]Cc3ccc(Cl)cc3)nnn2CCN1CCOc1ccccc1 ZINC000306135791 568897824 /nfs/dbraw/zinc/89/78/24/568897824.db2.gz PAZFNWBVIDEXSP-UHFFFAOYSA-N 1 2 411.893 2.756 40 0 HFABLO COc1ncccc1C[N@@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306143690 568905183 /nfs/dbraw/zinc/90/51/83/568905183.db2.gz YJEHOJSRQHDGSM-HXUWFJFHSA-N 1 2 406.534 2.827 40 0 HFABLO COc1ncccc1C[N@H+]1CCN(C)[C@@H](c2cn3c(cccc3N3CCCC3)n2)C1 ZINC000306143690 568905185 /nfs/dbraw/zinc/90/51/85/568905185.db2.gz YJEHOJSRQHDGSM-HXUWFJFHSA-N 1 2 406.534 2.827 40 0 HFABLO CCOc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1C ZINC000004368681 568934117 /nfs/dbraw/zinc/93/41/17/568934117.db2.gz MDURIUAHDKCJRQ-OAQYLSRUSA-N 1 2 419.485 2.991 40 0 HFABLO OCCCNc1nc(NCc2ccco2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329060620 568975039 /nfs/dbraw/zinc/97/50/39/568975039.db2.gz WMYAXEFPPZAPOW-UHFFFAOYSA-N 1 2 408.380 2.885 40 0 HFABLO O=C(C[C@@H]1SC(=O)NC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026533293 569047858 /nfs/dbraw/zinc/04/78/58/569047858.db2.gz HYZVPIZURZQPCF-SFHVURJKSA-N 1 2 409.511 2.662 40 0 HFABLO CC[N@H+](CCCNC(=O)Cn1cnc2c3ccccc3[nH]c2c1=O)c1ccccc1 ZINC000014001055 569051998 /nfs/dbraw/zinc/05/19/98/569051998.db2.gz ILUNONRQGMDDJT-UHFFFAOYSA-N 1 2 403.486 2.911 40 0 HFABLO CC[N@@H+](CCCNC(=O)Cn1cnc2c3ccccc3[nH]c2c1=O)c1ccccc1 ZINC000014001055 569051999 /nfs/dbraw/zinc/05/19/99/569051999.db2.gz ILUNONRQGMDDJT-UHFFFAOYSA-N 1 2 403.486 2.911 40 0 HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[N@@H+]21 ZINC000253402707 291217206 /nfs/dbraw/zinc/21/72/06/291217206.db2.gz OONDASOIKAAQLW-NRFANRHFSA-N 1 2 424.520 2.956 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccc(F)cc3)CC[N@H+]21 ZINC000253402707 291217208 /nfs/dbraw/zinc/21/72/08/291217208.db2.gz OONDASOIKAAQLW-NRFANRHFSA-N 1 2 424.520 2.956 40 0 biogenic,in-vitro HFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530112 291220874 /nfs/dbraw/zinc/22/08/74/291220874.db2.gz AYUBTBNKWJUABD-ROUUACIJSA-N 1 2 406.490 2.999 40 0 biogenic,in-vitro HFABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2cncnc2)no1 ZINC000012530112 291220876 /nfs/dbraw/zinc/22/08/76/291220876.db2.gz AYUBTBNKWJUABD-ROUUACIJSA-N 1 2 406.490 2.999 40 0 biogenic,in-vitro HFABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035425414 291222085 /nfs/dbraw/zinc/22/20/85/291222085.db2.gz ZEMRTDKFKBAUOQ-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035425414 291222087 /nfs/dbraw/zinc/22/20/87/291222087.db2.gz ZEMRTDKFKBAUOQ-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO Cc1ccc2c(c1)nc1n2[C@@H](C[NH+](Cc2cnn(C)c2)Cc2cnn(C)c2)COC1 ZINC000096112406 291227171 /nfs/dbraw/zinc/22/71/71/291227171.db2.gz KAWQUYJSIRGGSG-IBGZPJMESA-N 1 2 405.506 2.585 40 0 biogenic,in-vitro HFABLO CC[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000044903025 521670168 /nfs/dbraw/zinc/67/01/68/521670168.db2.gz OZAWUBJYYKUNJG-UHFFFAOYSA-N 1 2 407.923 2.919 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004847481 557606022 /nfs/dbraw/zinc/60/60/22/557606022.db2.gz DCGQSRIFZHOOLU-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004847481 557606025 /nfs/dbraw/zinc/60/60/25/557606025.db2.gz DCGQSRIFZHOOLU-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CCCC[C@@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885610 557609980 /nfs/dbraw/zinc/60/99/80/557609980.db2.gz KKYRICWKTWJNLC-AZXNSQLWSA-N 1 2 422.481 2.944 40 0 HFABLO COCCn1nnnc1[C@@H](C(C)C)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000035290736 557676274 /nfs/dbraw/zinc/67/62/74/557676274.db2.gz NWMIQIDYNKTYBM-QGZVFWFLSA-N 1 2 412.460 2.858 40 0 HFABLO O=C(C[C@@H]1CCCO1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745168 558265735 /nfs/dbraw/zinc/26/57/35/558265735.db2.gz GGXYMGSMOQJUJH-HNNXBMFYSA-N 1 2 409.494 2.568 40 0 HFABLO COCCNC(=O)c1cc([C@@H]2C[N@H+](Cc3cccnc3)CCO2)nc2ccccc21 ZINC000019753898 558273288 /nfs/dbraw/zinc/27/32/88/558273288.db2.gz BODAEDUXUCAROE-QFIPXVFZSA-N 1 2 406.486 2.580 40 0 HFABLO COCCNC(=O)c1cc([C@@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2ccccc21 ZINC000019753898 558273292 /nfs/dbraw/zinc/27/32/92/558273292.db2.gz BODAEDUXUCAROE-QFIPXVFZSA-N 1 2 406.486 2.580 40 0 HFABLO O=C(c1cc([C@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759340 558275929 /nfs/dbraw/zinc/27/59/29/558275929.db2.gz HBLAPNKPYWQZED-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759340 558275930 /nfs/dbraw/zinc/27/59/30/558275930.db2.gz HBLAPNKPYWQZED-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c(C)c1 ZINC000020048321 558327963 /nfs/dbraw/zinc/32/79/63/558327963.db2.gz MFLWSSJNZLWALW-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO O=c1[nH]c2ccc(S(=O)(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc2[nH]1 ZINC000012239222 558359803 /nfs/dbraw/zinc/35/98/03/558359803.db2.gz WOYAVHBOQHJUPM-SFHVURJKSA-N 1 2 420.922 2.625 40 0 HFABLO CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(Cl)c1 ZINC000022511501 558492861 /nfs/dbraw/zinc/49/28/61/558492861.db2.gz ALNIXXJUDJHBIV-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO O=c1cc(C2CC[NH+](Cc3n[nH]nc3-c3ccccc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392855 558809160 /nfs/dbraw/zinc/80/91/60/558809160.db2.gz FPDUSKWLJCMDLA-UHFFFAOYSA-N 1 2 413.485 2.997 40 0 HFABLO C[C@H](C(=O)N1CCN([C@H](c2[nH+]ccn2C)c2ccccc2)CC1)n1cc(Cl)cn1 ZINC000019079102 558838817 /nfs/dbraw/zinc/83/88/17/558838817.db2.gz XUMAJTGEWHUFHO-APWZRJJASA-N 1 2 412.925 2.765 40 0 HFABLO Cc1[nH+]c2cc(NC(=O)CN3CCC[C@@H]3c3nc(-c4cccnc4)n[nH]3)ccc2n1C ZINC000019286546 558860408 /nfs/dbraw/zinc/86/04/08/558860408.db2.gz GJMPXUJCVSANIO-LJQANCHMSA-N 1 2 416.489 2.837 40 0 HFABLO COc1ccccc1N1C[C@@H](NC(=O)[C@@H](C)Cn2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286733 558860554 /nfs/dbraw/zinc/86/05/54/558860554.db2.gz GWOAQSDJCXGQAQ-RDJZCZTQSA-N 1 2 406.486 2.911 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589440 558889237 /nfs/dbraw/zinc/88/92/37/558889237.db2.gz QXRCCCXGLIUCLU-NRFANRHFSA-N 1 2 422.533 2.874 40 0 HFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589697 558889262 /nfs/dbraw/zinc/88/92/62/558889262.db2.gz ZBIREGUAHQSUIX-LJQANCHMSA-N 1 2 410.522 2.514 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2C[C@H]1C ZINC000019497818 558896707 /nfs/dbraw/zinc/89/67/07/558896707.db2.gz OLSLDDRRLDTFEL-OPAMFIHVSA-N 1 2 413.543 2.662 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2C[C@H]1C ZINC000019497818 558896709 /nfs/dbraw/zinc/89/67/09/558896709.db2.gz OLSLDDRRLDTFEL-OPAMFIHVSA-N 1 2 413.543 2.662 40 0 HFABLO COc1cc(C[N@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)cc(OC)c1OC ZINC000019549896 558914566 /nfs/dbraw/zinc/91/45/66/558914566.db2.gz SIGPMIUTFMSBCH-UHFFFAOYSA-N 1 2 413.449 2.620 40 0 HFABLO COc1cc(C[N@@H+]2CCc3nc4ccc(F)cc4c(=O)n3CC2)cc(OC)c1OC ZINC000019549896 558914568 /nfs/dbraw/zinc/91/45/68/558914568.db2.gz SIGPMIUTFMSBCH-UHFFFAOYSA-N 1 2 413.449 2.620 40 0 HFABLO COc1cccc([C@H](NC(=O)c2cc(-c3cnn(C)c3C)on2)c2[nH+]ccn2C)c1 ZINC000019554099 558917246 /nfs/dbraw/zinc/91/72/46/558917246.db2.gz PURXKKIEBAVNHI-IBGZPJMESA-N 1 2 406.446 2.645 40 0 HFABLO COc1ccc([C@@H](CN(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019585948 558939193 /nfs/dbraw/zinc/93/91/93/558939193.db2.gz NHBSUVQOTUKBCW-IFMALSPDSA-N 1 2 423.513 2.653 40 0 HFABLO COc1ccc(CC(=O)N2CCO[C@@H](c3ncncc3-c3cc[nH+]c(N)c3)C2)cc1C ZINC000072370858 558957422 /nfs/dbraw/zinc/95/74/22/558957422.db2.gz SPVUZSOBXUAIIY-HXUWFJFHSA-N 1 2 419.485 2.580 40 0 HFABLO O=C(c1cnccn1)N1CCC(c2c3cccnc3sc2C[NH+]2CCOCC2)CC1 ZINC000072373404 558961111 /nfs/dbraw/zinc/96/11/11/558961111.db2.gz WEFDCADGADHIMA-UHFFFAOYSA-N 1 2 423.542 2.938 40 0 HFABLO Cc1nc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@H+](C)CC3)cs1 ZINC000019710336 558972090 /nfs/dbraw/zinc/97/20/90/558972090.db2.gz VEQOZTLGQLKBCN-GOSISDBHSA-N 1 2 414.579 2.592 40 0 HFABLO Cc1nc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(N(C)C)n2)C[N@@H+](C)CC3)cs1 ZINC000019710336 558972093 /nfs/dbraw/zinc/97/20/93/558972093.db2.gz VEQOZTLGQLKBCN-GOSISDBHSA-N 1 2 414.579 2.592 40 0 HFABLO Cc1nn(C)c2nc(C)cc(C(=O)Nc3cc(C)ccc3OCC[NH+]3CCOCC3)c12 ZINC000019716333 558978175 /nfs/dbraw/zinc/97/81/75/558978175.db2.gz IEAQMRKDVCYMOV-UHFFFAOYSA-N 1 2 423.517 2.857 40 0 HFABLO O=C(NCCc1cccs1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096050 559023357 /nfs/dbraw/zinc/02/33/57/559023357.db2.gz PACSQSNCDXFSNY-FQEVSTJZSA-N 1 2 419.510 2.982 40 0 HFABLO O=C(NCc1cccs1)[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2c[nH+]cn21 ZINC000585096205 559023469 /nfs/dbraw/zinc/02/34/69/559023469.db2.gz YBOXTOIJEQPKCR-IBGZPJMESA-N 1 2 405.483 2.939 40 0 HFABLO Cn1c[nH+]c([C@@H]2C[C@]3(CN2C(=O)Cc2ccccc2)CCCN(CC2CC2)C3=O)c1 ZINC000585106499 559028918 /nfs/dbraw/zinc/02/89/18/559028918.db2.gz YRDCKSPTZLPOMF-URXFXBBRSA-N 1 2 406.530 2.955 40 0 HFABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)N2CCOCC2)C3)c1 ZINC000096036337 559089971 /nfs/dbraw/zinc/08/99/71/559089971.db2.gz OOYSWKKTNFTAPT-ISKFKSNPSA-N 1 2 408.498 2.554 40 0 HFABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@@]23CO[C@@H](C(=O)N2CCOCC2)C3)c1 ZINC000096036337 559089973 /nfs/dbraw/zinc/08/99/73/559089973.db2.gz OOYSWKKTNFTAPT-ISKFKSNPSA-N 1 2 408.498 2.554 40 0 HFABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251969 559105631 /nfs/dbraw/zinc/10/56/31/559105631.db2.gz OOBFEKSVFARBSH-LSTHTHJFSA-N 1 2 412.559 2.609 40 0 HFABLO C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2C[N@H+](Cc4ccccc4)C[C@H]2S(=O)(=O)C3)C1 ZINC000096251969 559105632 /nfs/dbraw/zinc/10/56/32/559105632.db2.gz OOBFEKSVFARBSH-LSTHTHJFSA-N 1 2 412.559 2.609 40 0 HFABLO CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000113959081 559183542 /nfs/dbraw/zinc/18/35/42/559183542.db2.gz QCLHIAMCADGSQV-HXUWFJFHSA-N 1 2 401.532 2.504 40 0 HFABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)[NH+]1CCCC1)OCO3 ZINC000000912911 560546396 /nfs/dbraw/zinc/54/63/96/560546396.db2.gz CZVDIKDPONLVCK-LJQANCHMSA-N 1 2 408.462 2.544 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000000925767 560556832 /nfs/dbraw/zinc/55/68/32/560556832.db2.gz KFZSVRKBDRLDAU-HXUWFJFHSA-N 1 2 422.533 2.947 40 0 HFABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C[C@H]3CCCO3)C3CCCC3)cc2c1 ZINC000000925767 560556833 /nfs/dbraw/zinc/55/68/33/560556833.db2.gz KFZSVRKBDRLDAU-HXUWFJFHSA-N 1 2 422.533 2.947 40 0 HFABLO CC[NH+](CC)CCCNC(=O)[C@@H](C(=O)c1ccc(F)cc1)n1cc(Cl)ccc1=O ZINC000004435570 560606873 /nfs/dbraw/zinc/60/68/73/560606873.db2.gz FNDOYLQRKSIGAV-LJQANCHMSA-N 1 2 421.900 2.913 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847485 560609411 /nfs/dbraw/zinc/60/94/11/560609411.db2.gz NYTVQPPUUDRJPB-LJQANCHMSA-N 1 2 412.538 2.832 40 0 HFABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847485 560609412 /nfs/dbraw/zinc/60/94/12/560609412.db2.gz NYTVQPPUUDRJPB-LJQANCHMSA-N 1 2 412.538 2.832 40 0 HFABLO CCNC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(Cl)cc2[nH]c1=O ZINC000019823329 560875914 /nfs/dbraw/zinc/87/59/14/560875914.db2.gz FYBASKFNAFVMLE-UHFFFAOYSA-N 1 2 422.982 2.519 40 0 HFABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1N(C)S(=O)(=O)c1ccccc1 ZINC000224300132 568576972 /nfs/dbraw/zinc/57/69/72/568576972.db2.gz BLJRDGJZQZQION-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO CN(c1ccc(Cl)c(C(=O)N2CC[NH+](C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000224334260 568578189 /nfs/dbraw/zinc/57/81/89/568578189.db2.gz YACUITDSBLNIDC-UHFFFAOYSA-N 1 2 407.923 2.553 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000224380425 568579597 /nfs/dbraw/zinc/57/95/97/568579597.db2.gz RCSLHXLTTWQAOA-UHFFFAOYSA-N 1 2 410.499 2.732 40 0 HFABLO Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000257204180 568777406 /nfs/dbraw/zinc/77/74/06/568777406.db2.gz ATJWJEFOJASIOA-LJQANCHMSA-N 1 2 407.518 2.591 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@]4(CCCO4)[C@@H](OC)C3)sc2c1 ZINC000257219057 568781627 /nfs/dbraw/zinc/78/16/27/568781627.db2.gz DFLQBHLAQOMUQR-FXAWDEMLSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@]4(CCCO4)[C@@H](OC)C3)sc2c1 ZINC000257219057 568781628 /nfs/dbraw/zinc/78/16/28/568781628.db2.gz DFLQBHLAQOMUQR-FXAWDEMLSA-N 1 2 405.520 2.903 40 0 HFABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@H+]3Cc3cnn(C)c3)c2)cc1 ZINC000257219218 568781889 /nfs/dbraw/zinc/78/18/89/568781889.db2.gz DGAQFXOFSDUABZ-HSZRJFAPSA-N 1 2 404.514 2.981 40 0 HFABLO COc1ccc(-c2cccc(C[C@@H]3C(=O)N(C)CC[N@@H+]3Cc3cnn(C)c3)c2)cc1 ZINC000257219218 568781890 /nfs/dbraw/zinc/78/18/90/568781890.db2.gz DGAQFXOFSDUABZ-HSZRJFAPSA-N 1 2 404.514 2.981 40 0 HFABLO O=C(NC[C@]1(O)CCCN(c2cccc[nH+]2)C1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257255471 568791775 /nfs/dbraw/zinc/79/17/75/568791775.db2.gz KHPKPEAKAABHFB-LJQANCHMSA-N 1 2 419.407 2.738 40 0 HFABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257300254 568804503 /nfs/dbraw/zinc/80/45/03/568804503.db2.gz RTQIFRIXXUUVCK-YLJYHZDGSA-N 1 2 403.504 2.637 40 0 HFABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3C[C@@H](OC)[C@@]4(CCCO4)C3)n2)cc1 ZINC000257300254 568804504 /nfs/dbraw/zinc/80/45/04/568804504.db2.gz RTQIFRIXXUUVCK-YLJYHZDGSA-N 1 2 403.504 2.637 40 0 HFABLO Cn1nc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)cc1CCOc1ccc(Cl)cc1 ZINC000257302281 568805065 /nfs/dbraw/zinc/80/50/65/568805065.db2.gz SCHJBHBLCWCOEF-IBGZPJMESA-N 1 2 401.898 2.992 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000257317198 568809489 /nfs/dbraw/zinc/80/94/89/568809489.db2.gz VITAHNPNSMNNQG-NRFANRHFSA-N 1 2 407.514 2.817 40 0 HFABLO C[N@H+]1CCN(C(=O)c2ccccc2OCCN2CCCC2=O)C[C@H]1c1ccccc1 ZINC000257317198 568809492 /nfs/dbraw/zinc/80/94/92/568809492.db2.gz VITAHNPNSMNNQG-NRFANRHFSA-N 1 2 407.514 2.817 40 0 HFABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc[nH+]c1 ZINC000257343089 568817010 /nfs/dbraw/zinc/81/70/10/568817010.db2.gz ZRLLOVFZNWECGD-CFKFVRPNSA-N 1 2 406.530 2.885 40 0 HFABLO Cc1cccc(C[N@@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)n1 ZINC000306124638 568887718 /nfs/dbraw/zinc/88/77/18/568887718.db2.gz BVPDYPFQFSKVBF-IBGZPJMESA-N 1 2 416.489 2.569 40 0 HFABLO Cc1cccc(C[N@H+]2CCO[C@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)n1 ZINC000306124638 568887720 /nfs/dbraw/zinc/88/77/20/568887720.db2.gz BVPDYPFQFSKVBF-IBGZPJMESA-N 1 2 416.489 2.569 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccnc3)C[C@H]1S2(=O)=O ZINC000306132331 568894690 /nfs/dbraw/zinc/89/46/90/568894690.db2.gz LFGRRUVVCLVTHE-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1S2(=O)=O ZINC000306132331 568894691 /nfs/dbraw/zinc/89/46/91/568894691.db2.gz LFGRRUVVCLVTHE-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO CCn1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cn1 ZINC000306137936 568899946 /nfs/dbraw/zinc/89/99/46/568899946.db2.gz RKINUKBXUDXSCL-QUCCMNQESA-N 1 2 412.490 2.859 40 0 HFABLO CCn1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4ccc(F)nc4)ccc2S3(=O)=O)cn1 ZINC000306137936 568899948 /nfs/dbraw/zinc/89/99/48/568899948.db2.gz RKINUKBXUDXSCL-QUCCMNQESA-N 1 2 412.490 2.859 40 0 HFABLO CC(C)n1cc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cn1 ZINC000306144188 568905552 /nfs/dbraw/zinc/90/55/52/568905552.db2.gz YYOFFFHKSJEEFF-CTNGQTDRSA-N 1 2 411.531 2.620 40 0 HFABLO CC(C)n1cc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cn1 ZINC000306144188 568905554 /nfs/dbraw/zinc/90/55/54/568905554.db2.gz YYOFFFHKSJEEFF-CTNGQTDRSA-N 1 2 411.531 2.620 40 0 HFABLO OCCNc1nc(NCc2ccccc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070933 568975891 /nfs/dbraw/zinc/97/58/91/568975891.db2.gz ZLOVBAGCFRVRPA-UHFFFAOYSA-N 1 2 404.392 2.902 40 0 HFABLO Cc1c(C[N@@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019692804 569346187 /nfs/dbraw/zinc/34/61/87/569346187.db2.gz SOGXQLAWDKRNKV-FQEVSTJZSA-N 1 2 410.497 2.964 40 0 HFABLO Cc1c(C[N@H+]2CCO[C@H](c3nc(N(C)C)ncc3-c3cccc(F)c3)C2)cnn1C ZINC000019692804 569346188 /nfs/dbraw/zinc/34/61/88/569346188.db2.gz SOGXQLAWDKRNKV-FQEVSTJZSA-N 1 2 410.497 2.964 40 0 HFABLO Cn1c2nnc(C[NH+]3CCC([C@@H](O)c4ccccc4)CC3)n2c2ccccc2c1=O ZINC000012593616 569401952 /nfs/dbraw/zinc/40/19/52/569401952.db2.gz DWRQKUGKHZPFDO-NRFANRHFSA-N 1 2 403.486 2.527 40 0 HFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+]21 ZINC000253398151 291217675 /nfs/dbraw/zinc/21/76/75/291217675.db2.gz GPHDXWDZYJNWNQ-IBGZPJMESA-N 1 2 409.505 2.816 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@H+]21 ZINC000253398151 291217679 /nfs/dbraw/zinc/21/76/79/291217679.db2.gz GPHDXWDZYJNWNQ-IBGZPJMESA-N 1 2 409.505 2.816 40 0 biogenic,in-vitro HFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)[N@H+](C)C2)cc1 ZINC000012529907 291224846 /nfs/dbraw/zinc/22/48/46/291224846.db2.gz WACBZJKNYQFNMO-LPHOPBHVSA-N 1 2 408.458 2.929 40 0 biogenic,in-vitro HFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC)cc4)no3)[N@@H+](C)C2)cc1 ZINC000012529907 291224848 /nfs/dbraw/zinc/22/48/48/291224848.db2.gz WACBZJKNYQFNMO-LPHOPBHVSA-N 1 2 408.458 2.929 40 0 biogenic,in-vitro HFABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000035877094 557646998 /nfs/dbraw/zinc/64/69/98/557646998.db2.gz YFJVTDOSLWIELC-HAGHYFMRSA-N 1 2 408.429 2.669 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccc(F)cc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000035877094 557647001 /nfs/dbraw/zinc/64/70/01/557647001.db2.gz YFJVTDOSLWIELC-HAGHYFMRSA-N 1 2 408.429 2.669 40 0 HFABLO O=C(C[C@@H]1CCCCO1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745157 558265683 /nfs/dbraw/zinc/26/56/83/558265683.db2.gz HQULOBIYXULHGI-INIZCTEOSA-N 1 2 423.521 2.958 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)CC(=O)N2 ZINC000019819905 558290346 /nfs/dbraw/zinc/29/03/46/558290346.db2.gz MCEVORYGIBMABG-NSHDSACASA-N 1 2 418.860 2.906 40 0 HFABLO Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019819997 558290384 /nfs/dbraw/zinc/29/03/84/558290384.db2.gz FYPGSMSOQMNTDS-NSHDSACASA-N 1 2 400.870 2.685 40 0 HFABLO Cc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1C ZINC000020047322 558327783 /nfs/dbraw/zinc/32/77/83/558327783.db2.gz BSFFEWNRFNNYNJ-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO Cc1ccc(C)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c1 ZINC000020105838 558333274 /nfs/dbraw/zinc/33/32/74/558333274.db2.gz HUQWGZTYMXIDGK-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000020459445 558371663 /nfs/dbraw/zinc/37/16/63/558371663.db2.gz KXMRGOKYCDZQGY-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO C[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)CC1 ZINC000037093218 558507235 /nfs/dbraw/zinc/50/72/35/558507235.db2.gz NVNXGFBFXRGSGR-UHFFFAOYSA-N 1 2 411.886 2.668 40 0 HFABLO Cc1c(Cl)cccc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000014495232 558655423 /nfs/dbraw/zinc/65/54/23/558655423.db2.gz JHIZRJWVYCZDKD-UHFFFAOYSA-N 1 2 407.923 2.837 40 0 HFABLO O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@@H+](C2CCCC2)CC4)C1 ZINC000019292125 558864244 /nfs/dbraw/zinc/86/42/44/558864244.db2.gz VLWULZGWXQYRDL-INIZCTEOSA-N 1 2 409.534 2.852 40 0 HFABLO O=C(C1CC1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[nH]2)C[N@H+](C2CCCC2)CC4)C1 ZINC000019292125 558864247 /nfs/dbraw/zinc/86/42/47/558864247.db2.gz VLWULZGWXQYRDL-INIZCTEOSA-N 1 2 409.534 2.852 40 0 HFABLO CCn1cc(C[NH+]2CCN(C(=O)[C@@H](C)Cn3nc(C)c(Cl)c3C)CC2)c(C)n1 ZINC000019524560 558905779 /nfs/dbraw/zinc/90/57/79/558905779.db2.gz MEBJRLFITLUXQC-AWEZNQCLSA-N 1 2 406.962 2.659 40 0 HFABLO Cc1c(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554492 558917509 /nfs/dbraw/zinc/91/75/09/558917509.db2.gz WYQAFCVIPBMMCO-UHFFFAOYSA-N 1 2 405.546 2.969 40 0 HFABLO Cc1c(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554492 558917511 /nfs/dbraw/zinc/91/75/11/558917511.db2.gz WYQAFCVIPBMMCO-UHFFFAOYSA-N 1 2 405.546 2.969 40 0 HFABLO Cc1c(CN(CC[NH+]2CCOCC2)Cc2cccnc2)cnn1Cc1ccccc1 ZINC000019554492 558917513 /nfs/dbraw/zinc/91/75/13/558917513.db2.gz WYQAFCVIPBMMCO-UHFFFAOYSA-N 1 2 405.546 2.969 40 0 HFABLO COc1ccc(-c2n[nH]cc2CN(CC[NH+]2CCOCC2)Cc2cccnc2)cc1 ZINC000019557837 558919785 /nfs/dbraw/zinc/91/97/85/558919785.db2.gz DYSKKNDVIVZVSM-UHFFFAOYSA-N 1 2 407.518 2.815 40 0 HFABLO CS(=O)(=O)c1cnc(-c2cccnc2)nc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000072335863 558936918 /nfs/dbraw/zinc/93/69/18/558936918.db2.gz IJJNTGZLCSGRTP-UHFFFAOYSA-N 1 2 409.515 2.717 40 0 HFABLO CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)n1 ZINC000072379241 558968109 /nfs/dbraw/zinc/96/81/09/558968109.db2.gz MMCGPBKEHORUPA-MRXNPFEDSA-N 1 2 400.508 2.650 40 0 HFABLO CC(=O)N1CCC(c2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cn2)CC1 ZINC000019708153 558970168 /nfs/dbraw/zinc/97/01/68/558970168.db2.gz ZQHWGICIMUTBDQ-QHCPKHFHSA-N 1 2 406.530 2.936 40 0 HFABLO CC(=O)N1CCC(c2ccc(C(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cn2)CC1 ZINC000019708153 558970170 /nfs/dbraw/zinc/97/01/70/558970170.db2.gz ZQHWGICIMUTBDQ-QHCPKHFHSA-N 1 2 406.530 2.936 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCCc1cccnc1)N(Cc1cccnc1)CC2 ZINC000096265044 559107519 /nfs/dbraw/zinc/10/75/19/559107519.db2.gz ZWUMPEVSMOZGDV-QFIPXVFZSA-N 1 2 404.518 2.712 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000100427883 559135193 /nfs/dbraw/zinc/13/51/93/559135193.db2.gz TXXMQEGAHWSIIN-VDNWNZSNSA-N 1 2 412.511 2.558 40 0 HFABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000893573 560543516 /nfs/dbraw/zinc/54/35/16/560543516.db2.gz WXQOMBPCTOBCJJ-NQIIRXRSSA-N 1 2 422.533 2.831 40 0 HFABLO C[NH+]1CCN(C(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)CC1 ZINC000409383585 560717528 /nfs/dbraw/zinc/71/75/28/560717528.db2.gz XHGHBDCAZPFHPA-UHFFFAOYSA-N 1 2 409.515 2.506 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000019502181 560873864 /nfs/dbraw/zinc/87/38/64/560873864.db2.gz KKYRICWKTWJNLC-SMOZNVCYSA-N 1 2 422.481 2.944 40 0 HFABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000216400231 568464987 /nfs/dbraw/zinc/46/49/87/568464987.db2.gz DJXSTHKALUWRSD-UHFFFAOYSA-N 1 2 424.526 2.895 40 0 HFABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589808 568492902 /nfs/dbraw/zinc/49/29/02/568492902.db2.gz KBZHOVJWNGTWJS-NRFANRHFSA-N 1 2 422.533 2.793 40 0 HFABLO CCOCc1cc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)ccc1OC ZINC000224407544 568580404 /nfs/dbraw/zinc/58/04/04/568580404.db2.gz VOEJQWMEALMRAB-UHFFFAOYSA-N 1 2 412.486 2.918 40 0 HFABLO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000225826792 568678253 /nfs/dbraw/zinc/67/82/53/568678253.db2.gz HKIPXRORMJGXEQ-RGEXLXHISA-N 1 2 410.499 2.931 40 0 HFABLO O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCC[NH+]1CCOCC1 ZINC000225833744 568679266 /nfs/dbraw/zinc/67/92/66/568679266.db2.gz BYVRWWPEGPXQMN-UHFFFAOYSA-N 1 2 406.486 2.785 40 0 HFABLO Cc1ccc(F)cc1NC(=O)C[NH+]1CCC2(CN(S(C)(=O)=O)C(C)(C)C2)CC1 ZINC000257303058 568805194 /nfs/dbraw/zinc/80/51/94/568805194.db2.gz SFPVKCXEXZWAAI-UHFFFAOYSA-N 1 2 411.543 2.599 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257315275 568808799 /nfs/dbraw/zinc/80/87/99/568808799.db2.gz VAPKDIABIFCIJJ-FXAWDEMLSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@H](OC)[C@@]4(CCCO4)C3)sc2c1 ZINC000257315275 568808800 /nfs/dbraw/zinc/80/88/00/568808800.db2.gz VAPKDIABIFCIJJ-FXAWDEMLSA-N 1 2 405.520 2.903 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccc(C)cc1OC)CC2 ZINC000257331345 568813446 /nfs/dbraw/zinc/81/34/46/568813446.db2.gz XSLRLMCDPRVKPR-SFHVURJKSA-N 1 2 409.534 2.729 40 0 HFABLO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccc(C)cc1OC)CC2 ZINC000257331345 568813448 /nfs/dbraw/zinc/81/34/48/568813448.db2.gz XSLRLMCDPRVKPR-SFHVURJKSA-N 1 2 409.534 2.729 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1C[N@H+](C)CC2 ZINC000257341992 568816627 /nfs/dbraw/zinc/81/66/27/568816627.db2.gz ZMQPRLFBZAJTOL-MRXNPFEDSA-N 1 2 402.502 2.684 40 0 HFABLO CNc1nc([C@@H]2CCN(C(=O)c3nccc4ccccc43)C2)nc2c1C[N@@H+](C)CC2 ZINC000257341992 568816629 /nfs/dbraw/zinc/81/66/29/568816629.db2.gz ZMQPRLFBZAJTOL-MRXNPFEDSA-N 1 2 402.502 2.684 40 0 HFABLO CC(C)n1c[nH+]c([C@H]2CN(C(=O)c3ccncc3)C[C@]23CCN(CC2CC2)C3=O)c1 ZINC000306126366 568889133 /nfs/dbraw/zinc/88/91/33/568889133.db2.gz DTONCOPZYYSNFR-AUSIDOKSSA-N 1 2 407.518 2.727 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccccn3)C[C@@H]1S2(=O)=O ZINC000306134824 568896716 /nfs/dbraw/zinc/89/67/16/568896716.db2.gz NZCJYLPSARSGMI-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccccn3)C[C@@H]1S2(=O)=O ZINC000306134824 568896718 /nfs/dbraw/zinc/89/67/18/568896718.db2.gz NZCJYLPSARSGMI-CTNGQTDRSA-N 1 2 407.495 2.908 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2S3(=O)=O)cn1 ZINC000306136629 568898460 /nfs/dbraw/zinc/89/84/60/568898460.db2.gz PYSLOCGOAYZBJN-AVRDEDQJSA-N 1 2 423.494 2.571 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2S3(=O)=O)cn1 ZINC000306136629 568898463 /nfs/dbraw/zinc/89/84/63/568898463.db2.gz PYSLOCGOAYZBJN-AVRDEDQJSA-N 1 2 423.494 2.571 40 0 HFABLO CC(C)n1cc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)cn1 ZINC000306138243 568900048 /nfs/dbraw/zinc/90/00/48/568900048.db2.gz RTEBLBIHDYDAJW-UHFFFAOYSA-N 1 2 402.506 2.891 40 0 HFABLO Cc1ccccc1CC(=O)N1C[C@H](c2cn(C)c[nH+]2)[C@]2(CCN(CC3CC3)C2=O)C1 ZINC000306140519 568902385 /nfs/dbraw/zinc/90/23/85/568902385.db2.gz UVZOVSXDTUAXJC-YKSBVNFPSA-N 1 2 406.530 2.526 40 0 HFABLO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cc1 ZINC000306141355 568902994 /nfs/dbraw/zinc/90/29/94/568902994.db2.gz VSZJKGBAWHKZKO-IRLDBZIGSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)c2cc(-c4cnn(C)c4)ccc2S3(=O)=O)cc1 ZINC000306141355 568902995 /nfs/dbraw/zinc/90/29/95/568902995.db2.gz VSZJKGBAWHKZKO-IRLDBZIGSA-N 1 2 409.511 2.851 40 0 HFABLO CC(=O)N1C[C@@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306142462 568903970 /nfs/dbraw/zinc/90/39/70/568903970.db2.gz WZQRSHPLTSCCTB-PXNSSMCTSA-N 1 2 401.536 2.594 40 0 HFABLO CCOc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccccc1C ZINC000004368682 568934048 /nfs/dbraw/zinc/93/40/48/568934048.db2.gz MDURIUAHDKCJRQ-NRFANRHFSA-N 1 2 419.485 2.991 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328998623 568971945 /nfs/dbraw/zinc/97/19/45/568971945.db2.gz JTQPWRNQCMBKLY-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO COc1c(C)cccc1C[N@@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692964 569346232 /nfs/dbraw/zinc/34/62/32/569346232.db2.gz OJOQHCOQZABWJY-HXUWFJFHSA-N 1 2 420.517 2.890 40 0 HFABLO COc1c(C)cccc1C[N@H+]1CCO[C@@H](c2nc(N(C)C)ncc2-c2cncnc2)C1 ZINC000019692964 569346233 /nfs/dbraw/zinc/34/62/33/569346233.db2.gz OJOQHCOQZABWJY-HXUWFJFHSA-N 1 2 420.517 2.890 40 0 HFABLO CCOC(=O)[C@]1(C)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(OC)c3)C(=O)[C@H]21 ZINC000004889833 557610451 /nfs/dbraw/zinc/61/04/51/557610451.db2.gz DZZMEVXEULESIY-AZXNSQLWSA-N 1 2 422.481 2.776 40 0 HFABLO CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)sc2c1CC[N@H+](C)C2 ZINC000006402062 557701296 /nfs/dbraw/zinc/70/12/96/557701296.db2.gz GVPPHQTUQMYIPX-RTWAWAEBSA-N 1 2 420.531 2.973 40 0 HFABLO CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)sc2c1CC[N@@H+](C)C2 ZINC000006402062 557701299 /nfs/dbraw/zinc/70/12/99/557701299.db2.gz GVPPHQTUQMYIPX-RTWAWAEBSA-N 1 2 420.531 2.973 40 0 HFABLO CNC(=O)c1cnc(C)nc1[C@H]1CCCC[N@@H+]1CC(=O)NC(C)(C)Cc1ccccc1 ZINC000019767055 558279029 /nfs/dbraw/zinc/27/90/29/558279029.db2.gz YYVKFWJJBSGUBL-HXUWFJFHSA-N 1 2 423.561 2.809 40 0 HFABLO CNC(=O)c1cnc(C)nc1[C@H]1CCCC[N@H+]1CC(=O)NC(C)(C)Cc1ccccc1 ZINC000019767055 558279032 /nfs/dbraw/zinc/27/90/32/558279032.db2.gz YYVKFWJJBSGUBL-HXUWFJFHSA-N 1 2 423.561 2.809 40 0 HFABLO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019933346 558311184 /nfs/dbraw/zinc/31/11/84/558311184.db2.gz QFORPXMMYSOPRJ-HXUWFJFHSA-N 1 2 412.486 2.926 40 0 HFABLO Cc1cccc(C)c1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020035542 558324665 /nfs/dbraw/zinc/32/46/65/558324665.db2.gz YJKWYFYMGOAMQJ-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(Sc3nc[nH]n3)o1)CC2 ZINC000012122063 558330811 /nfs/dbraw/zinc/33/08/11/558330811.db2.gz FSRLEORYQCKLGY-UHFFFAOYSA-N 1 2 407.459 2.665 40 0 HFABLO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(Sc3nc[nH]n3)o1)CC2 ZINC000012122063 558330815 /nfs/dbraw/zinc/33/08/15/558330815.db2.gz FSRLEORYQCKLGY-UHFFFAOYSA-N 1 2 407.459 2.665 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000022521666 558494788 /nfs/dbraw/zinc/49/47/88/558494788.db2.gz NHBAJEVXXNKFEB-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO Cc1ccc(N([C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)cc1 ZINC000030865611 558742409 /nfs/dbraw/zinc/74/24/09/558742409.db2.gz MSNRFBAJLDQKSX-QGZVFWFLSA-N 1 2 412.515 2.652 40 0 HFABLO Cc1[nH+]c2cc(NC(=O)CN3CCC[C@H]3c3nc(-c4cccnc4)n[nH]3)ccc2n1C ZINC000019286548 558860376 /nfs/dbraw/zinc/86/03/76/558860376.db2.gz GJMPXUJCVSANIO-IBGZPJMESA-N 1 2 416.489 2.837 40 0 HFABLO Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)N5CC[NH+](Cc6ccccn6)CC5)(C4)C2)C3)n1 ZINC000019288284 558861366 /nfs/dbraw/zinc/86/13/66/558861366.db2.gz RSOACSUGMREZOS-TUUBTQOTSA-N 1 2 420.561 2.621 40 0 HFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496579 558895504 /nfs/dbraw/zinc/89/55/04/558895504.db2.gz FSIQRLPNTPKXSH-OAHLLOKOSA-N 1 2 406.486 2.671 40 0 HFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496579 558895507 /nfs/dbraw/zinc/89/55/07/558895507.db2.gz FSIQRLPNTPKXSH-OAHLLOKOSA-N 1 2 406.486 2.671 40 0 HFABLO CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)N3CC[NH+](CCOC(C)C)CC3)cc2N1 ZINC000019520568 558901451 /nfs/dbraw/zinc/90/14/51/558901451.db2.gz KVNRTBDWMXQAMS-GDBMZVCRSA-N 1 2 417.476 2.764 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555615 558918489 /nfs/dbraw/zinc/91/84/89/558918489.db2.gz NWDDAEWGEJPYOH-SFHVURJKSA-N 1 2 422.529 2.865 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)C5CCC5)C4)nc3C2)cc1 ZINC000019555615 558918492 /nfs/dbraw/zinc/91/84/92/558918492.db2.gz NWDDAEWGEJPYOH-SFHVURJKSA-N 1 2 422.529 2.865 40 0 HFABLO COc1ccc(-c2ncc(CN(CC[NH+]3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019558561 558920384 /nfs/dbraw/zinc/92/03/84/558920384.db2.gz PDGJLXCWWDROQG-UHFFFAOYSA-N 1 2 419.529 2.882 40 0 HFABLO COc1ccc(-c2ncc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019558561 558920386 /nfs/dbraw/zinc/92/03/86/558920386.db2.gz PDGJLXCWWDROQG-UHFFFAOYSA-N 1 2 419.529 2.882 40 0 HFABLO COc1ccc(-c2ncc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)cn2)cc1 ZINC000019558561 558920389 /nfs/dbraw/zinc/92/03/89/558920389.db2.gz PDGJLXCWWDROQG-UHFFFAOYSA-N 1 2 419.529 2.882 40 0 HFABLO C[NH+]1CCN(C(=O)Cn2cc(C(=O)c3ccc(F)cc3)c3ccnc(Cl)c32)CC1 ZINC000019589765 558940553 /nfs/dbraw/zinc/94/05/53/558940553.db2.gz SHUOIBTZLBFILR-UHFFFAOYSA-N 1 2 414.868 2.834 40 0 HFABLO O=C(CSc1nc2ccccc2c(-c2ccccc2)n1)N1CC[NH+](CCO)CC1 ZINC000019681465 558956872 /nfs/dbraw/zinc/95/68/72/558956872.db2.gz MPDLPFAKGRRNBF-UHFFFAOYSA-N 1 2 408.527 2.525 40 0 HFABLO Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689303 558958813 /nfs/dbraw/zinc/95/88/13/558958813.db2.gz XYGQXJIICWQUFJ-QGZVFWFLSA-N 1 2 413.503 2.899 40 0 HFABLO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[N@H+](C)CC2 ZINC000019710889 558973245 /nfs/dbraw/zinc/97/32/45/558973245.db2.gz PCQJHUFZVLZXSN-MRXNPFEDSA-N 1 2 421.954 2.685 40 0 HFABLO CNc1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[N@@H+](C)CC2 ZINC000019710889 558973247 /nfs/dbraw/zinc/97/32/47/558973247.db2.gz PCQJHUFZVLZXSN-MRXNPFEDSA-N 1 2 421.954 2.685 40 0 HFABLO Cc1ccc(OCC[NH+]2CCOCC2)c(NC(=O)c2cc(=O)n(C)c3ccccc23)c1 ZINC000019714345 558974169 /nfs/dbraw/zinc/97/41/69/558974169.db2.gz BIVNWSSYTXJNPZ-UHFFFAOYSA-N 1 2 421.497 2.810 40 0 HFABLO Cc1ccc([C@@H](CNC(=O)c2ccc(N3CCOCC3)cc2)[NH+]2CCOCC2)cc1 ZINC000019717135 558979550 /nfs/dbraw/zinc/97/95/50/558979550.db2.gz MDCZWLBKTVHPFI-HSZRJFAPSA-N 1 2 409.530 2.635 40 0 HFABLO Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)NCC[NH+]3CCOCC3)c(Cl)c12 ZINC000022998773 558984558 /nfs/dbraw/zinc/98/45/58/558984558.db2.gz YZHGBEUJZQWBBR-UHFFFAOYSA-N 1 2 413.909 2.753 40 0 HFABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(C1)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC000096076402 559094540 /nfs/dbraw/zinc/09/45/40/559094540.db2.gz HRYNWSDBHODEJF-HSZRJFAPSA-N 1 2 407.518 2.575 40 0 HFABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@]2(C1)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC000096076402 559094541 /nfs/dbraw/zinc/09/45/41/559094541.db2.gz HRYNWSDBHODEJF-HSZRJFAPSA-N 1 2 407.518 2.575 40 0 HFABLO COCCN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143953 559096439 /nfs/dbraw/zinc/09/64/39/559096439.db2.gz APHXUBRTSPCATC-UPVQGACJSA-N 1 2 410.514 2.800 40 0 HFABLO COCCN(C)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143953 559096441 /nfs/dbraw/zinc/09/64/41/559096441.db2.gz APHXUBRTSPCATC-UPVQGACJSA-N 1 2 410.514 2.800 40 0 HFABLO Cc1ccsc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251257 559105280 /nfs/dbraw/zinc/10/52/80/559105280.db2.gz RBCOHKTWONMJQQ-JTSKRJEESA-N 1 2 412.559 2.899 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCC(C)CC3)cc2c1 ZINC000000889106 560542243 /nfs/dbraw/zinc/54/22/43/560542243.db2.gz UXRAAXMIBDEZGO-NQIIRXRSSA-N 1 2 422.533 2.823 40 0 HFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+]1CCCC1 ZINC000004161892 560601930 /nfs/dbraw/zinc/60/19/30/560601930.db2.gz QJEITDOZODGAKA-GOSISDBHSA-N 1 2 410.478 2.574 40 0 HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004537510 560608339 /nfs/dbraw/zinc/60/83/39/560608339.db2.gz OSHWWPKXPNXAPF-FQEVSTJZSA-N 1 2 410.522 2.599 40 0 HFABLO COCCn1nnnc1C[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847446 560609431 /nfs/dbraw/zinc/60/94/31/560609431.db2.gz CQXAQGNYXYEYFK-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO COCCn1nnnc1C[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000004847446 560609432 /nfs/dbraw/zinc/60/94/32/560609432.db2.gz CQXAQGNYXYEYFK-UHFFFAOYSA-N 1 2 410.522 2.723 40 0 HFABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848027 560609626 /nfs/dbraw/zinc/60/96/26/560609626.db2.gz RUHZTRJVZHIQAU-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000004848027 560609628 /nfs/dbraw/zinc/60/96/28/560609628.db2.gz RUHZTRJVZHIQAU-LJQANCHMSA-N 1 2 412.538 2.914 40 0 HFABLO COC(=O)c1ccc2nc(NC(=S)N3CCN(c4cccc[nH+]4)CC3)sc2c1 ZINC000409189650 560691015 /nfs/dbraw/zinc/69/10/15/560691015.db2.gz MFUIVMZJLWBSOH-UHFFFAOYSA-N 1 2 413.528 2.997 40 0 HFABLO CS(=O)(=O)c1ccc2nc(NC(=O)C[N@@H+]3CCc4ccccc4C3)sc2c1 ZINC000036646495 560882750 /nfs/dbraw/zinc/88/27/50/560882750.db2.gz VSZZYABXAZZKSZ-UHFFFAOYSA-N 1 2 401.513 2.697 40 0 biogenic,in-vitro HFABLO CS(=O)(=O)c1ccc2nc(NC(=O)C[N@H+]3CCc4ccccc4C3)sc2c1 ZINC000036646495 560882752 /nfs/dbraw/zinc/88/27/52/560882752.db2.gz VSZZYABXAZZKSZ-UHFFFAOYSA-N 1 2 401.513 2.697 40 0 biogenic,in-vitro HFABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2nsnc2c1 ZINC000057315813 568492049 /nfs/dbraw/zinc/49/20/49/568492049.db2.gz NZZLUMBRYMZAJH-UHFFFAOYSA-N 1 2 413.528 2.650 40 0 HFABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223586099 568552469 /nfs/dbraw/zinc/55/24/69/568552469.db2.gz BZTNXRDMVLJRID-LEWJYISDSA-N 1 2 407.543 2.903 40 0 HFABLO COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000223865752 568561352 /nfs/dbraw/zinc/56/13/52/568561352.db2.gz QPRLBCBNTDDWRQ-UHFFFAOYSA-N 1 2 405.863 2.791 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1 ZINC000257213496 568779915 /nfs/dbraw/zinc/77/99/15/568779915.db2.gz CHUYULGIIXZKGT-JOCHJYFZSA-N 1 2 405.502 2.946 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(C(N)=O)c4)n3)C2)c(C)n1 ZINC000257213496 568779917 /nfs/dbraw/zinc/77/99/17/568779917.db2.gz CHUYULGIIXZKGT-JOCHJYFZSA-N 1 2 405.502 2.946 40 0 HFABLO CC(=O)NCC(=O)N1CC[C@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257247068 568789536 /nfs/dbraw/zinc/78/95/36/568789536.db2.gz IXGGLHIUZVPADM-IBGZPJMESA-N 1 2 418.501 2.536 40 0 HFABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H](Cc2cccnc2)C1 ZINC000257254066 568791279 /nfs/dbraw/zinc/79/12/79/568791279.db2.gz KBKUCOJEWUBBHQ-NRFANRHFSA-N 1 2 409.530 2.888 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 ZINC000257288869 568801065 /nfs/dbraw/zinc/80/10/65/568801065.db2.gz PWAKKSNQHUDZQC-OAQYLSRUSA-N 1 2 417.460 2.627 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cc(CCOc4ccc(F)c(F)c4)n(C)n3)C2)cn1 ZINC000257288869 568801066 /nfs/dbraw/zinc/80/10/66/568801066.db2.gz PWAKKSNQHUDZQC-OAQYLSRUSA-N 1 2 417.460 2.627 40 0 HFABLO CCCCc1[nH]c(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)c[nH+]1 ZINC000257341060 568816484 /nfs/dbraw/zinc/81/64/84/568816484.db2.gz ZIRMVTSVQUVOCW-NRFANRHFSA-N 1 2 420.941 2.931 40 0 HFABLO CCCCc1[nH]cc(CN2CCO[C@@](COc3cccc(Cl)c3)(CC(N)=O)C2)[nH+]1 ZINC000257341060 568816487 /nfs/dbraw/zinc/81/64/87/568816487.db2.gz ZIRMVTSVQUVOCW-NRFANRHFSA-N 1 2 420.941 2.931 40 0 HFABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139224 568901224 /nfs/dbraw/zinc/90/12/24/568901224.db2.gz SSMCGJBMVBQWGP-QFBILLFUSA-N 1 2 400.529 2.607 40 0 HFABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139224 568901227 /nfs/dbraw/zinc/90/12/27/568901227.db2.gz SSMCGJBMVBQWGP-QFBILLFUSA-N 1 2 400.529 2.607 40 0 HFABLO COc1ccc(Cl)cc1NC(=O)Nc1c[nH+]c(N2CCOCC2)nc1N(C)C ZINC000224147088 569052912 /nfs/dbraw/zinc/05/29/12/569052912.db2.gz UTUUTEATBQRMCZ-UHFFFAOYSA-N 1 2 406.874 2.685 40 0 HFABLO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000245229692 569313787 /nfs/dbraw/zinc/31/37/87/569313787.db2.gz DDRDDUOQMUYICI-VLIAUNLRSA-N 1 2 417.506 2.749 40 0 HFABLO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@H]1c1ccc(OC)c(OC)c1 ZINC000245229692 569313788 /nfs/dbraw/zinc/31/37/88/569313788.db2.gz DDRDDUOQMUYICI-VLIAUNLRSA-N 1 2 417.506 2.749 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)cc2C[C@@H]1C ZINC000248135803 569316369 /nfs/dbraw/zinc/31/63/69/569316369.db2.gz OLSLDDRRLDTFEL-AOMKIAJQSA-N 1 2 413.543 2.662 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@H]3c3ccccc3)cc2C[C@@H]1C ZINC000248135803 569316370 /nfs/dbraw/zinc/31/63/70/569316370.db2.gz OLSLDDRRLDTFEL-AOMKIAJQSA-N 1 2 413.543 2.662 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4c(nc(N5CCC[C@@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000012184742 569344700 /nfs/dbraw/zinc/34/47/00/569344700.db2.gz LOWPMQXJKZZFEU-MRXNPFEDSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@@H+]3CCc4c(nc(N5CCC[C@@H](C)C5)[nH]c4=O)C3)c(=O)c2c1 ZINC000012184742 569344701 /nfs/dbraw/zinc/34/47/01/569344701.db2.gz LOWPMQXJKZZFEU-MRXNPFEDSA-N 1 2 420.513 2.979 40 0 HFABLO COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1cccc(Cl)c1 ZINC000015637936 569345051 /nfs/dbraw/zinc/34/50/51/569345051.db2.gz BFJCSYFYYUZMRZ-UHFFFAOYSA-N 1 2 423.922 2.537 40 0 HFABLO Cc1nc(Nc2nccnc2[C@H]2CCCN(C(=O)C=Cc3c[nH]c[nH+]3)C2)sc1C ZINC000585290813 571309874 /nfs/dbraw/zinc/30/98/74/571309874.db2.gz FXPGCAWKYDUPIO-NFAHFFEMSA-N 1 2 409.519 3.436 40 0 HFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464361 575366377 /nfs/dbraw/zinc/36/63/77/575366377.db2.gz ODWNPMCHGYTJDP-HOTGVXAUSA-N 1 2 410.405 2.780 40 0 biogenic,in-vitro HFABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464361 575366381 /nfs/dbraw/zinc/36/63/81/575366381.db2.gz ODWNPMCHGYTJDP-HOTGVXAUSA-N 1 2 410.405 2.780 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CC[N@@H+]21 ZINC000253400547 291217652 /nfs/dbraw/zinc/21/76/52/291217652.db2.gz LJCVKTIOYJPJEE-NRFANRHFSA-N 1 2 406.530 2.817 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)c3ccccc3)CC[N@H+]21 ZINC000253400547 291217654 /nfs/dbraw/zinc/21/76/54/291217654.db2.gz LJCVKTIOYJPJEE-NRFANRHFSA-N 1 2 406.530 2.817 40 0 biogenic,in-vitro HFABLO COc1ccccc1CNC(=O)c1cn(C)nc1CC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000019756556 524482989 /nfs/dbraw/zinc/48/29/89/524482989.db2.gz WFCHIBORKITNPY-UHFFFAOYSA-N 1 2 422.533 2.537 40 0 HFABLO CCCC[C@]1(C(=O)OC)[NH2+][C@@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000004885611 557609941 /nfs/dbraw/zinc/60/99/41/557609941.db2.gz KKYRICWKTWJNLC-XHOYROJHSA-N 1 2 422.481 2.944 40 0 HFABLO Cc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019759701 558275871 /nfs/dbraw/zinc/27/58/71/558275871.db2.gz VRZDLFLGLCIEMG-JOCHJYFZSA-N 1 2 407.518 2.988 40 0 HFABLO Cc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019759701 558275874 /nfs/dbraw/zinc/27/58/74/558275874.db2.gz VRZDLFLGLCIEMG-JOCHJYFZSA-N 1 2 407.518 2.988 40 0 HFABLO CCOc1ccc2c(c1)c(=O)c(C(=O)N1CC[NH+](Cc3ccccc3)CC1)cn2C ZINC000022237311 558471051 /nfs/dbraw/zinc/47/10/51/558471051.db2.gz BEFMYXJANXWCKT-UHFFFAOYSA-N 1 2 405.498 2.895 40 0 HFABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(C)(=O)=O)c(C)c1 ZINC000022510798 558492904 /nfs/dbraw/zinc/49/29/04/558492904.db2.gz ZCPQVPJVHSTVSU-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO COc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000014463174 558654873 /nfs/dbraw/zinc/65/48/73/558654873.db2.gz NTQHURYHPPTCPS-UHFFFAOYSA-N 1 2 423.922 2.537 40 0 HFABLO COc1cc(C(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)nc(OC)n1 ZINC000019240432 558858958 /nfs/dbraw/zinc/85/89/58/558858958.db2.gz TVLMCAJKUBRZIJ-ZDUSSCGKSA-N 1 2 401.492 2.840 40 0 HFABLO Cn1ccnc1[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000019291214 558863582 /nfs/dbraw/zinc/86/35/82/558863582.db2.gz XLYRVARCDWSZPE-OAQYLSRUSA-N 1 2 408.477 2.911 40 0 HFABLO CCC(=O)N1CCc2cc(C(=O)C[NH+]3CCC(NC(=O)C4CCCC4)CC3)ccc21 ZINC000057811707 558890996 /nfs/dbraw/zinc/89/09/96/558890996.db2.gz IINQPVPZJNWDPG-UHFFFAOYSA-N 1 2 411.546 2.939 40 0 HFABLO Cc1cc(C(F)(F)F)c2c(cc(C3CCN(C(=O)Cn4cc[nH+]c4)CC3)[nH]c2=O)n1 ZINC000019568558 558927486 /nfs/dbraw/zinc/92/74/86/558927486.db2.gz MOQFLRTWPAIHOT-UHFFFAOYSA-N 1 2 419.407 2.853 40 0 HFABLO Cc1nc(N)c2c(n1)nc([C@H]1CCCN(C(=O)Cn3cc[nH+]c3)C1)cc2C(F)(F)F ZINC000072350864 558947623 /nfs/dbraw/zinc/94/76/23/558947623.db2.gz MVIYKNJXEGVDQH-LBPRGKRZSA-N 1 2 419.411 2.537 40 0 HFABLO CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000072356322 558953152 /nfs/dbraw/zinc/95/31/52/558953152.db2.gz OVHKCWOKRYCSLV-KRWDZBQOSA-N 1 2 401.532 2.645 40 0 HFABLO CC(=O)NC1CCN(C(=O)c2sc3ccccc3c2[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000072356322 558953154 /nfs/dbraw/zinc/95/31/54/558953154.db2.gz OVHKCWOKRYCSLV-KRWDZBQOSA-N 1 2 401.532 2.645 40 0 HFABLO FC(F)(F)c1ccccc1N1CC[NH+](Cc2ccnc(N3CCOCC3)n2)CC1 ZINC000019715647 558976766 /nfs/dbraw/zinc/97/67/66/558976766.db2.gz LHITUUGMBZWNRM-UHFFFAOYSA-N 1 2 407.440 2.654 40 0 HFABLO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@@H+]4CC(=O)N4CCCC4)C3)oc21 ZINC000585102083 559025256 /nfs/dbraw/zinc/02/52/56/559025256.db2.gz QKIGCNRKUNAMNB-HSZRJFAPSA-N 1 2 411.502 2.744 40 0 HFABLO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@H+]4CC(=O)N4CCCC4)C3)oc21 ZINC000585102083 559025258 /nfs/dbraw/zinc/02/52/58/559025258.db2.gz QKIGCNRKUNAMNB-HSZRJFAPSA-N 1 2 411.502 2.744 40 0 HFABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)N2CCOCC2)C3)c1 ZINC000096036336 559089957 /nfs/dbraw/zinc/08/99/57/559089957.db2.gz OOYSWKKTNFTAPT-VWNXMTODSA-N 1 2 408.498 2.554 40 0 HFABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@@H](C(=O)N2CCOCC2)C3)c1 ZINC000096036336 559089959 /nfs/dbraw/zinc/08/99/59/559089959.db2.gz OOYSWKKTNFTAPT-VWNXMTODSA-N 1 2 408.498 2.554 40 0 HFABLO O=C(NCc1cc(=O)n2c(n1)C[N@@H+](Cc1cccs1)CCC2)c1ccsc1 ZINC000096059646 559094115 /nfs/dbraw/zinc/09/41/15/559094115.db2.gz GOEISAWROGCHOF-UHFFFAOYSA-N 1 2 400.529 2.702 40 0 HFABLO O=C(NCc1cc(=O)n2c(n1)C[N@H+](Cc1cccs1)CCC2)c1ccsc1 ZINC000096059646 559094117 /nfs/dbraw/zinc/09/41/17/559094117.db2.gz GOEISAWROGCHOF-UHFFFAOYSA-N 1 2 400.529 2.702 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCc1cccnc1)N(C(=O)c1ccccc1)CC2 ZINC000096147276 559098401 /nfs/dbraw/zinc/09/84/01/559098401.db2.gz VMHCYCMHAYKWNO-OAQYLSRUSA-N 1 2 403.486 2.915 40 0 HFABLO CC[N@@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096230364 559103020 /nfs/dbraw/zinc/10/30/20/559103020.db2.gz IPTCILGJSAOJGK-UHFFFAOYSA-N 1 2 412.559 2.724 40 0 HFABLO CC[N@H+]1CCN(c2ccc(C)nc2)C(=O)C12CCN(C(=O)Cc1ccsc1)CC2 ZINC000096230364 559103021 /nfs/dbraw/zinc/10/30/21/559103021.db2.gz IPTCILGJSAOJGK-UHFFFAOYSA-N 1 2 412.559 2.724 40 0 HFABLO Cc1ccccc1C(=O)N1CCC[C@]2(C(=O)N(C)C)CN(c3cccc[nH+]3)C[C@@H]2C1 ZINC000096251254 559105308 /nfs/dbraw/zinc/10/53/08/559105308.db2.gz ITODNGNCMIWCDI-CYFREDJKSA-N 1 2 406.530 2.837 40 0 HFABLO Cc1ccc(C(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251239 559105319 /nfs/dbraw/zinc/10/53/19/559105319.db2.gz PBZQJZLXKHQAIP-RDPSFJRHSA-N 1 2 406.530 2.837 40 0 HFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261936 559109540 /nfs/dbraw/zinc/10/95/40/559109540.db2.gz ZUGDENOWOGOZDN-QFIPXVFZSA-N 1 2 421.541 2.610 40 0 HFABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261936 559109541 /nfs/dbraw/zinc/10/95/41/559109541.db2.gz ZUGDENOWOGOZDN-QFIPXVFZSA-N 1 2 421.541 2.610 40 0 HFABLO COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000170551434 560767238 /nfs/dbraw/zinc/76/72/38/560767238.db2.gz SFLUCXXLBBXILW-UHFFFAOYSA-N 1 2 423.922 2.537 40 0 HFABLO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000019973635 560877877 /nfs/dbraw/zinc/87/78/77/560877877.db2.gz SGNUTIGGGCXXCJ-SFHVURJKSA-N 1 2 419.319 2.647 40 0 HFABLO CC[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1ccccc1)S(C)(=O)=O ZINC000216396707 568465079 /nfs/dbraw/zinc/46/50/79/568465079.db2.gz WRTCONQRVGUSMM-FQEVSTJZSA-N 1 2 412.515 2.733 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000225469610 568640678 /nfs/dbraw/zinc/64/06/78/568640678.db2.gz TYQVUVKQHYVCOE-UHFFFAOYSA-N 1 2 424.526 2.589 40 0 HFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000257203331 568777121 /nfs/dbraw/zinc/77/71/21/568777121.db2.gz APORFBLCPNIEID-FQEVSTJZSA-N 1 2 401.898 2.992 40 0 HFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)cn1 ZINC000257203331 568777124 /nfs/dbraw/zinc/77/71/24/568777124.db2.gz APORFBLCPNIEID-FQEVSTJZSA-N 1 2 401.898 2.992 40 0 HFABLO O=C(C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1)N1CCCCC1 ZINC000257212385 568779765 /nfs/dbraw/zinc/77/97/65/568779765.db2.gz CDEJSUUGQBBFPT-FPOVZHCZSA-N 1 2 410.518 2.582 40 0 HFABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@H+]3Cc3cnn(C)c3)c2)cc1 ZINC000257219219 568781868 /nfs/dbraw/zinc/78/18/68/568781868.db2.gz DGAQFXOFSDUABZ-QHCPKHFHSA-N 1 2 404.514 2.981 40 0 HFABLO COc1ccc(-c2cccc(C[C@H]3C(=O)N(C)CC[N@@H+]3Cc3cnn(C)c3)c2)cc1 ZINC000257219219 568781869 /nfs/dbraw/zinc/78/18/69/568781869.db2.gz DGAQFXOFSDUABZ-QHCPKHFHSA-N 1 2 404.514 2.981 40 0 HFABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)nc[nH+]1 ZINC000257265315 568794168 /nfs/dbraw/zinc/79/41/68/568794168.db2.gz LYDWDSIZDZNMLO-QHCPKHFHSA-N 1 2 422.533 2.888 40 0 HFABLO Cc1noc(C)c1CCC(=O)N(C)C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257276691 568797601 /nfs/dbraw/zinc/79/76/01/568797601.db2.gz NUTAQDIXDYYSEX-HSZRJFAPSA-N 1 2 423.517 2.657 40 0 HFABLO CN(C(=O)CCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257284290 568799674 /nfs/dbraw/zinc/79/96/74/568799674.db2.gz PCBPNRYQTOZHIX-MBOZVWFJSA-N 1 2 401.898 2.959 40 0 HFABLO CN(C(=O)CCc1nc2ccc(Cl)cc2[nH]1)[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257284290 568799676 /nfs/dbraw/zinc/79/96/76/568799676.db2.gz PCBPNRYQTOZHIX-MBOZVWFJSA-N 1 2 401.898 2.959 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccccn5)CCN4C)nnn3c2)cn1 ZINC000306129294 568891790 /nfs/dbraw/zinc/89/17/90/568891790.db2.gz HZWRHQZGRQJXLB-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccccn5)CCN4C)nnn3c2)cn1 ZINC000306129294 568891791 /nfs/dbraw/zinc/89/17/91/568891791.db2.gz HZWRHQZGRQJXLB-OAQYLSRUSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5ccco5)CCN4C)nnn3c2)cn1 ZINC000306137692 568899618 /nfs/dbraw/zinc/89/96/18/568899618.db2.gz RDDYJDFTONKVPC-HXUWFJFHSA-N 1 2 404.474 2.882 40 0 HFABLO COc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccco5)CCN4C)nnn3c2)cn1 ZINC000306137692 568899620 /nfs/dbraw/zinc/89/96/20/568899620.db2.gz RDDYJDFTONKVPC-HXUWFJFHSA-N 1 2 404.474 2.882 40 0 HFABLO Cc1ncsc1C[N@H+]1C[C@@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139225 568901080 /nfs/dbraw/zinc/90/10/80/568901080.db2.gz SSMCGJBMVBQWGP-VQIMIIECSA-N 1 2 400.529 2.607 40 0 HFABLO Cc1ncsc1C[N@@H+]1C[C@@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@@H]2C1 ZINC000306139225 568901082 /nfs/dbraw/zinc/90/10/82/568901082.db2.gz SSMCGJBMVBQWGP-VQIMIIECSA-N 1 2 400.529 2.607 40 0 HFABLO CCn1cc(C[NH+]2CCN(c3nccn4c(-c5ccc(OC)cc5)cnc34)CC2)cn1 ZINC000306140681 568902375 /nfs/dbraw/zinc/90/23/75/568902375.db2.gz VATLVRBCKUKDLR-UHFFFAOYSA-N 1 2 417.517 2.944 40 0 HFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccco4)CC2)C[N@@H+](C)C3)cc1 ZINC000306143533 568904954 /nfs/dbraw/zinc/90/49/54/568904954.db2.gz YETLYAZSKXZQGF-UHFFFAOYSA-N 1 2 407.474 2.624 40 0 HFABLO COc1ccc(-c2nnc3n2C2(CCN(C(=O)c4ccco4)CC2)C[N@H+](C)C3)cc1 ZINC000306143533 568904957 /nfs/dbraw/zinc/90/49/57/568904957.db2.gz YETLYAZSKXZQGF-UHFFFAOYSA-N 1 2 407.474 2.624 40 0 HFABLO OCCCNc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000329050621 568974689 /nfs/dbraw/zinc/97/46/89/568974689.db2.gz UTXORVCPJNISOX-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO COc1cccc([C@@H]2NC3=[NH+]CN(C[C@H]4CCCO4)CN3c3nc4ccccc4n32)c1 ZINC000253560051 569317923 /nfs/dbraw/zinc/31/79/23/569317923.db2.gz AIIXHUUGFGMJPJ-WIYYLYMNSA-N 1 2 418.501 2.767 40 0 HFABLO CC[C@H](Oc1ccccc1OC)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008481233 569341661 /nfs/dbraw/zinc/34/16/61/569341661.db2.gz ONKTXMBMQQYGFO-SFHVURJKSA-N 1 2 412.486 2.926 40 0 HFABLO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@H+](CCOCc3ccccc3)CCO2)n1 ZINC000019692887 569346235 /nfs/dbraw/zinc/34/62/35/569346235.db2.gz DDIYQBYDSUIVRZ-OAQYLSRUSA-N 1 2 420.517 2.590 40 0 HFABLO CN(C)c1ncc(-c2cncnc2)c([C@H]2C[N@@H+](CCOCc3ccccc3)CCO2)n1 ZINC000019692887 569346236 /nfs/dbraw/zinc/34/62/36/569346236.db2.gz DDIYQBYDSUIVRZ-OAQYLSRUSA-N 1 2 420.517 2.590 40 0 HFABLO CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3F)C2)no1 ZINC000019693705 569346465 /nfs/dbraw/zinc/34/64/65/569346465.db2.gz DPLBWPLJWINPIC-INIZCTEOSA-N 1 2 424.480 2.676 40 0 HFABLO CCc1nc(-c2cncnc2[C@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3F)C2)no1 ZINC000019693705 569346466 /nfs/dbraw/zinc/34/64/66/569346466.db2.gz DPLBWPLJWINPIC-INIZCTEOSA-N 1 2 424.480 2.676 40 0 HFABLO CCn1c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)cc2n(CC)c1=O ZINC000019764670 569348996 /nfs/dbraw/zinc/34/89/96/569348996.db2.gz FFNYDQTWYNBLQB-LJQANCHMSA-N 1 2 422.533 2.767 40 0 HFABLO CCn1c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc(C(N)=O)c(C)n3)cc2n(CC)c1=O ZINC000019764670 569348997 /nfs/dbraw/zinc/34/89/97/569348997.db2.gz FFNYDQTWYNBLQB-LJQANCHMSA-N 1 2 422.533 2.767 40 0 HFABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000329014428 571306802 /nfs/dbraw/zinc/30/68/02/571306802.db2.gz MWRJJBGRROTUOW-KRWDZBQOSA-N 1 2 400.479 3.322 40 0 HFABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889433 557111968 /nfs/dbraw/zinc/11/19/68/557111968.db2.gz BPNSUZUBBSNKOC-YLJYHZDGSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160251 557521455 /nfs/dbraw/zinc/52/14/55/557521455.db2.gz ZLZUELCOXFCZDS-MDKPJZGXSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160251 557521457 /nfs/dbraw/zinc/52/14/57/557521457.db2.gz ZLZUELCOXFCZDS-MDKPJZGXSA-N 1 2 422.533 2.823 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCCCCC1 ZINC000004212412 557529201 /nfs/dbraw/zinc/52/92/01/557529201.db2.gz HDRZTRWTERZYDM-HXUWFJFHSA-N 1 2 410.522 2.743 40 0 HFABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)C2CCCCC2)cc1 ZINC000408618263 557535012 /nfs/dbraw/zinc/53/50/12/557535012.db2.gz FJKLOWFHGFKYMR-UHFFFAOYSA-N 1 2 418.563 2.721 40 0 HFABLO COc1ccccc1N1CC[NH+]([C@@H](CC(C)C)c2nnnn2C[C@H]2CCCO2)CC1 ZINC000035310985 557693109 /nfs/dbraw/zinc/69/31/09/557693109.db2.gz JUIARPUHTXRZLA-QUCCMNQESA-N 1 2 414.554 2.770 40 0 HFABLO CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000408706031 557732036 /nfs/dbraw/zinc/73/20/36/557732036.db2.gz TWVMWRKKXSJXRF-FQEVSTJZSA-N 1 2 412.486 2.926 40 0 HFABLO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1 ZINC000019752577 558271930 /nfs/dbraw/zinc/27/19/30/558271930.db2.gz XORLRLGYYMHLEA-QGZVFWFLSA-N 1 2 409.534 2.994 40 0 HFABLO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cc1 ZINC000019752577 558271933 /nfs/dbraw/zinc/27/19/33/558271933.db2.gz XORLRLGYYMHLEA-QGZVFWFLSA-N 1 2 409.534 2.994 40 0 HFABLO CN(C)C(=O)c1cc([C@@H]2C[N@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762472 558277238 /nfs/dbraw/zinc/27/72/38/558277238.db2.gz ONRMKVDBYBJDKI-QFIPXVFZSA-N 1 2 419.529 2.971 40 0 HFABLO CN(C)C(=O)c1cc([C@@H]2C[N@@H+](Cc3cccnc3N(C)C)CCO2)nc2ccccc21 ZINC000019762472 558277240 /nfs/dbraw/zinc/27/72/40/558277240.db2.gz ONRMKVDBYBJDKI-QFIPXVFZSA-N 1 2 419.529 2.971 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1Cl ZINC000020049352 558328213 /nfs/dbraw/zinc/32/82/13/558328213.db2.gz KZUKWTKRJYIHII-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO CCOc1ccc(N2C(=O)C[C@@H]([NH2+]Cc3n[nH]c(=S)n3-c3ccccc3)C2=O)cc1 ZINC000020176559 558343842 /nfs/dbraw/zinc/34/38/42/558343842.db2.gz XYYDPICBESSRTG-QGZVFWFLSA-N 1 2 423.498 2.750 40 0 HFABLO Cc1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1N1CCCC1=O ZINC000030756419 558737340 /nfs/dbraw/zinc/73/73/40/558737340.db2.gz LWRYSQFKGJVEJP-UHFFFAOYSA-N 1 2 413.543 2.628 40 0 HFABLO Cc1ccc2[nH]c(CCc3ccc(NC(=O)CN4C(=O)NC(C)(C)C4=O)cc3)[nH+]c2c1 ZINC000019221554 558851985 /nfs/dbraw/zinc/85/19/85/558851985.db2.gz FYWJFKXSQVTSOB-UHFFFAOYSA-N 1 2 419.485 2.925 40 0 HFABLO Cc1ccc2[nH+]c(CCc3ccc(NC(=O)CN4C(=O)NC(C)(C)C4=O)cc3)[nH]c2c1 ZINC000019221554 558851987 /nfs/dbraw/zinc/85/19/87/558851987.db2.gz FYWJFKXSQVTSOB-UHFFFAOYSA-N 1 2 419.485 2.925 40 0 HFABLO Cc1nc2c(c(N3CCN(C(=O)c4ccco4)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286216 558860342 /nfs/dbraw/zinc/86/03/42/558860342.db2.gz HPHCEWYHVHWQLT-UHFFFAOYSA-N 1 2 417.513 2.899 40 0 HFABLO Cc1nc2c(c(N3CCN(C(=O)c4ccco4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286216 558860344 /nfs/dbraw/zinc/86/03/44/558860344.db2.gz HPHCEWYHVHWQLT-UHFFFAOYSA-N 1 2 417.513 2.899 40 0 HFABLO COc1ccccc1N1C[C@@H](NC(=O)[C@H](C)Cn2c(C)[nH+]c3ccccc32)CC1=O ZINC000019286735 558860594 /nfs/dbraw/zinc/86/05/94/558860594.db2.gz GWOAQSDJCXGQAQ-WBVHZDCISA-N 1 2 406.486 2.911 40 0 HFABLO COc1ccccc1OCCC[NH+]1CCN(C(=O)c2c3c(nn2C)CCCC3)CC1 ZINC000019288635 558861504 /nfs/dbraw/zinc/86/15/04/558861504.db2.gz AKLYTZYGQVMRFP-UHFFFAOYSA-N 1 2 412.534 2.534 40 0 HFABLO Cn1cc[nH+]c1[C@@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 ZINC000019291192 558863635 /nfs/dbraw/zinc/86/36/35/558863635.db2.gz FLRPMTMNSITALF-IBGZPJMESA-N 1 2 406.421 2.843 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)cc2c1 ZINC000057589442 558889304 /nfs/dbraw/zinc/88/93/04/558889304.db2.gz QXRCCCXGLIUCLU-OAQYLSRUSA-N 1 2 422.533 2.874 40 0 HFABLO COc1ccccc1CNC(=O)c1cnc([C@H]2CCC[N@@H+]2Cc2cnn(C)c2)nc1C ZINC000072345398 558941886 /nfs/dbraw/zinc/94/18/86/558941886.db2.gz IEYVQNUCQKRCQJ-HXUWFJFHSA-N 1 2 420.517 2.794 40 0 HFABLO COc1ccccc1CNC(=O)c1cnc([C@H]2CCC[N@H+]2Cc2cnn(C)c2)nc1C ZINC000072345398 558941889 /nfs/dbraw/zinc/94/18/89/558941889.db2.gz IEYVQNUCQKRCQJ-HXUWFJFHSA-N 1 2 420.517 2.794 40 0 HFABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@H+](Cc2cccnc2)CCO1 ZINC000019591920 558942662 /nfs/dbraw/zinc/94/26/62/558942662.db2.gz MIFJGUDQVDGMHA-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)C[N@@H+](Cc2cccnc2)CCO1 ZINC000019591920 558942665 /nfs/dbraw/zinc/94/26/65/558942665.db2.gz MIFJGUDQVDGMHA-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO COCCNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354992 558952395 /nfs/dbraw/zinc/95/23/95/558952395.db2.gz SLGDQNRDNPVCOC-QFIPXVFZSA-N 1 2 406.486 2.580 40 0 HFABLO COCCNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354992 558952397 /nfs/dbraw/zinc/95/23/97/558952397.db2.gz SLGDQNRDNPVCOC-QFIPXVFZSA-N 1 2 406.486 2.580 40 0 HFABLO COCc1ccc(OC)c(C[N@@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370868 558957400 /nfs/dbraw/zinc/95/74/00/558957400.db2.gz QZDJDWYFYNXAMV-OAQYLSRUSA-N 1 2 421.501 2.849 40 0 HFABLO COCc1ccc(OC)c(C[N@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370868 558957401 /nfs/dbraw/zinc/95/74/01/558957401.db2.gz QZDJDWYFYNXAMV-OAQYLSRUSA-N 1 2 421.501 2.849 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370849 558957459 /nfs/dbraw/zinc/95/74/59/558957459.db2.gz GGZMJSAKKOXIDQ-FQEVSTJZSA-N 1 2 407.474 2.712 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c(OC)c1 ZINC000072370849 558957461 /nfs/dbraw/zinc/95/74/61/558957461.db2.gz GGZMJSAKKOXIDQ-FQEVSTJZSA-N 1 2 407.474 2.712 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710603 558972940 /nfs/dbraw/zinc/97/29/40/558972940.db2.gz SFRNHFFVSBWAIV-SFHVURJKSA-N 1 2 423.561 2.854 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)CCc3ccc(OC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710603 558972944 /nfs/dbraw/zinc/97/29/44/558972944.db2.gz SFRNHFFVSBWAIV-SFHVURJKSA-N 1 2 423.561 2.854 40 0 HFABLO Cc1cccc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889465 560541993 /nfs/dbraw/zinc/54/19/93/560541993.db2.gz VNLXPBZMRNAHOK-WIYYLYMNSA-N 1 2 422.533 2.967 40 0 HFABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCC3)c(=O)[nH]c2c1 ZINC000000890310 560542331 /nfs/dbraw/zinc/54/23/31/560542331.db2.gz XPEYDBYSIXXQGV-OAQYLSRUSA-N 1 2 416.485 2.757 40 0 HFABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3CCOC)C3CCCC3)cc2c1 ZINC000004847430 560609404 /nfs/dbraw/zinc/60/94/04/560609404.db2.gz ALCKVQWXXGYKPP-UHFFFAOYSA-N 1 2 410.522 2.668 40 0 HFABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3CCOC)C3CCCC3)cc2c1 ZINC000004847430 560609405 /nfs/dbraw/zinc/60/94/05/560609405.db2.gz ALCKVQWXXGYKPP-UHFFFAOYSA-N 1 2 410.522 2.668 40 0 HFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589665 568492835 /nfs/dbraw/zinc/49/28/35/568492835.db2.gz ZJYZLNXVTGRHJG-HXUWFJFHSA-N 1 2 424.549 2.823 40 0 HFABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(O)CC3)cc12 ZINC000057589864 568493813 /nfs/dbraw/zinc/49/38/13/568493813.db2.gz BQNIAZMAGXNPGH-NRFANRHFSA-N 1 2 422.533 2.793 40 0 HFABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)cc1 ZINC000223586037 568552516 /nfs/dbraw/zinc/55/25/16/568552516.db2.gz BZTNXRDMVLJRID-RTWAWAEBSA-N 1 2 407.543 2.903 40 0 HFABLO Cc1cc(C(=O)NCCCn2cc[nH+]c2)ccc1N(C)S(=O)(=O)c1ccccc1 ZINC000224200250 568573557 /nfs/dbraw/zinc/57/35/57/568573557.db2.gz DGTIMMWNWWSASX-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO CCc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1 ZINC000224747298 568594914 /nfs/dbraw/zinc/59/49/14/568594914.db2.gz FFZYRMUPDBIKPT-UHFFFAOYSA-N 1 2 415.559 2.675 40 0 HFABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc4[nH]cnc4c3)C2)c2cnccc2[nH+]1 ZINC000257218535 568781406 /nfs/dbraw/zinc/78/14/06/568781406.db2.gz DDMGSZSZPXYGPL-QHCPKHFHSA-N 1 2 416.485 2.528 40 0 HFABLO CN(C(=O)c1ccccc1OCCN1CCCC1=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257222124 568782533 /nfs/dbraw/zinc/78/25/33/568782533.db2.gz DSAHDOAMTWSOCA-LJQANCHMSA-N 1 2 422.529 2.824 40 0 HFABLO CNc1cc(C)nc([C@]2(C)CCCN(C(=O)c3ccccc3C[NH+]3CCOCC3)C2)n1 ZINC000257261397 568793273 /nfs/dbraw/zinc/79/32/73/568793273.db2.gz LHCUZBZTXBQBAN-XMMPIXPASA-N 1 2 423.561 2.853 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cc(CCOc4cccc(OC)c4)n[nH]3)C2)cn1 ZINC000257265601 568794272 /nfs/dbraw/zinc/79/42/72/568794272.db2.gz LZJAFOHOUIZLKR-QFIPXVFZSA-N 1 2 411.506 2.830 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@H](c3cc(CCOc4cccc(OC)c4)n[nH]3)C2)cn1 ZINC000257265601 568794274 /nfs/dbraw/zinc/79/42/74/568794274.db2.gz LZJAFOHOUIZLKR-QFIPXVFZSA-N 1 2 411.506 2.830 40 0 HFABLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1CO ZINC000257306291 568806222 /nfs/dbraw/zinc/80/62/22/568806222.db2.gz STRLLAFTPDWXHV-QFIPXVFZSA-N 1 2 421.501 2.585 40 0 HFABLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1CO ZINC000257306291 568806225 /nfs/dbraw/zinc/80/62/25/568806225.db2.gz STRLLAFTPDWXHV-QFIPXVFZSA-N 1 2 421.501 2.585 40 0 HFABLO CCN1CCC[C@]2(C[N@H+](Cc3cc(C(=O)OC)ccc3OC)CC(F)(F)C2)C1=O ZINC000306133579 568895542 /nfs/dbraw/zinc/89/55/42/568895542.db2.gz MQCFOVIXBFOWDS-FQEVSTJZSA-N 1 2 410.461 2.952 40 0 HFABLO CCN1CCC[C@]2(C[N@@H+](Cc3cc(C(=O)OC)ccc3OC)CC(F)(F)C2)C1=O ZINC000306133579 568895543 /nfs/dbraw/zinc/89/55/43/568895543.db2.gz MQCFOVIXBFOWDS-FQEVSTJZSA-N 1 2 410.461 2.952 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3ccccn3)C[C@H]1S2(=O)=O ZINC000306134826 568896664 /nfs/dbraw/zinc/89/66/64/568896664.db2.gz NZCJYLPSARSGMI-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3ccccn3)C[C@H]1S2(=O)=O ZINC000306134826 568896665 /nfs/dbraw/zinc/89/66/65/568896665.db2.gz NZCJYLPSARSGMI-PZJWPPBQSA-N 1 2 407.495 2.908 40 0 HFABLO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 ZINC000306136689 568898422 /nfs/dbraw/zinc/89/84/22/568898422.db2.gz QAGBUQRXBBLMNZ-NRFANRHFSA-N 1 2 405.481 2.758 40 0 HFABLO Cn1cc(C[N@H+]2CCN(C)[C@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 ZINC000306136689 568898423 /nfs/dbraw/zinc/89/84/23/568898423.db2.gz QAGBUQRXBBLMNZ-NRFANRHFSA-N 1 2 405.481 2.758 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccco5)CCN4C)nnn3c2)cn1 ZINC000306137691 568899602 /nfs/dbraw/zinc/89/96/02/568899602.db2.gz RDDYJDFTONKVPC-FQEVSTJZSA-N 1 2 404.474 2.882 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccco5)CCN4C)nnn3c2)cn1 ZINC000306137691 568899603 /nfs/dbraw/zinc/89/96/03/568899603.db2.gz RDDYJDFTONKVPC-FQEVSTJZSA-N 1 2 404.474 2.882 40 0 HFABLO Cc1ncsc1C[N@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306139223 568901172 /nfs/dbraw/zinc/90/11/72/568901172.db2.gz SSMCGJBMVBQWGP-LPHOPBHVSA-N 1 2 400.529 2.607 40 0 HFABLO Cc1ncsc1C[N@@H+]1C[C@H]2c3cc(-c4cnn(C)c4)ccc3S(=O)(=O)[C@H]2C1 ZINC000306139223 568901174 /nfs/dbraw/zinc/90/11/74/568901174.db2.gz SSMCGJBMVBQWGP-LPHOPBHVSA-N 1 2 400.529 2.607 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000101347172 568917090 /nfs/dbraw/zinc/91/70/90/568917090.db2.gz YFJVTDOSLWIELC-NMLBUPMWSA-N 1 2 408.429 2.669 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@H]3C(=O)c2ccc(F)cc2)cc1 ZINC000101347172 568917092 /nfs/dbraw/zinc/91/70/92/568917092.db2.gz YFJVTDOSLWIELC-NMLBUPMWSA-N 1 2 408.429 2.669 40 0 HFABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464401 575366981 /nfs/dbraw/zinc/36/69/81/575366981.db2.gz RTAWZAPKVIWKCV-HOTGVXAUSA-N 1 2 413.478 2.842 40 0 biogenic,in-vitro HFABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000020464401 575366985 /nfs/dbraw/zinc/36/69/85/575366985.db2.gz RTAWZAPKVIWKCV-HOTGVXAUSA-N 1 2 413.478 2.842 40 0 biogenic,in-vitro HFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)ccn1 ZINC000035424783 291222094 /nfs/dbraw/zinc/22/20/94/291222094.db2.gz RHAJBKCTEVROCE-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)ccn1 ZINC000035424783 291222096 /nfs/dbraw/zinc/22/20/96/291222096.db2.gz RHAJBKCTEVROCE-KRWDZBQOSA-N 1 2 400.435 2.579 40 0 biogenic,in-vitro HFABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)C[N@H+]3C)n2)cc1 ZINC000012529763 291226809 /nfs/dbraw/zinc/22/68/09/291226809.db2.gz DLOMPHLYWSNTSC-OALUTQOASA-N 1 2 412.515 2.910 40 0 biogenic,in-vitro HFABLO Cc1ccc(-c2noc([C@@H]3C[C@H](NS(=O)(=O)Cc4ccccc4)C[N@@H+]3C)n2)cc1 ZINC000012529763 291226812 /nfs/dbraw/zinc/22/68/12/291226812.db2.gz DLOMPHLYWSNTSC-OALUTQOASA-N 1 2 412.515 2.910 40 0 biogenic,in-vitro HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150874 521355691 /nfs/dbraw/zinc/35/56/91/521355691.db2.gz TXXMQEGAHWSIIN-BZDHPDOMSA-N 1 2 412.511 2.558 40 0 HFABLO CC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1ccccc1)S(C)(=O)=O ZINC000044900233 521850664 /nfs/dbraw/zinc/85/06/64/521850664.db2.gz LBLZLKLOJGXREJ-IBGZPJMESA-N 1 2 412.515 2.733 40 0 HFABLO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000044857018 522782408 /nfs/dbraw/zinc/78/24/08/522782408.db2.gz BINUEPBQNWUZMO-OAQYLSRUSA-N 1 2 416.543 2.803 40 0 HFABLO Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)Nc2[nH+]c(N3CCCC3)nc(N)c21 ZINC000019819996 525773952 /nfs/dbraw/zinc/77/39/52/525773952.db2.gz FYPGSMSOQMNTDS-LLVKDONJSA-N 1 2 400.870 2.685 40 0 HFABLO OCCCNc1nc(NCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328984885 527542256 /nfs/dbraw/zinc/54/22/56/527542256.db2.gz HPYKRTRCPKDEDZ-UHFFFAOYSA-N 1 2 419.407 2.687 40 0 HFABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889431 557112117 /nfs/dbraw/zinc/11/21/17/557112117.db2.gz BPNSUZUBBSNKOC-XLIONFOSSA-N 1 2 408.506 2.577 40 0 HFABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccccc1 ZINC000408590960 557502912 /nfs/dbraw/zinc/50/29/12/557502912.db2.gz HKRYLNOERXDWCF-UHFFFAOYSA-N 1 2 414.487 2.513 40 0 HFABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCCCn1cc[nH+]c1 ZINC000408618291 557535005 /nfs/dbraw/zinc/53/50/05/557535005.db2.gz FWRYAXJNHJDSQW-UHFFFAOYSA-N 1 2 422.526 2.552 40 0 HFABLO COc1ccc(C[N@@H+]2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)c(OC)c1 ZINC000019759579 558275914 /nfs/dbraw/zinc/27/59/14/558275914.db2.gz ZZANHMFTHLLSBU-JOCHJYFZSA-N 1 2 407.470 2.924 40 0 HFABLO COc1ccc(C[N@H+]2CCO[C@@H](c3cc(C(N)=O)c4ccccc4n3)C2)c(OC)c1 ZINC000019759579 558275915 /nfs/dbraw/zinc/27/59/15/558275915.db2.gz ZZANHMFTHLLSBU-JOCHJYFZSA-N 1 2 407.470 2.924 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(Cl)c1)CC(=O)N2 ZINC000020674020 558399095 /nfs/dbraw/zinc/39/90/95/558399095.db2.gz PPBZVZUCHRCIBA-ZDUSSCGKSA-N 1 2 400.870 2.767 40 0 HFABLO Cc1cc(N2CCN(C(=O)c3ccnc(N4CCOCC4)c3)CC2)[nH+]c2ccccc12 ZINC000019118989 558842751 /nfs/dbraw/zinc/84/27/51/558842751.db2.gz WKYKFIZMAADDQB-UHFFFAOYSA-N 1 2 417.513 2.737 40 0 HFABLO CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C ZINC000019530677 558911491 /nfs/dbraw/zinc/91/14/91/558911491.db2.gz OEAILYSFVLHNAS-UHFFFAOYSA-N 1 2 407.474 2.512 40 0 HFABLO CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCc3c(nc(-c4ccccn4)[nH]c3=O)C2)c1C ZINC000019530677 558911492 /nfs/dbraw/zinc/91/14/92/558911492.db2.gz OEAILYSFVLHNAS-UHFFFAOYSA-N 1 2 407.474 2.512 40 0 HFABLO COc1ccc(-n2nnc(C)c2C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000019554692 558917690 /nfs/dbraw/zinc/91/76/90/558917690.db2.gz KTSNIWPYLVQOSR-UHFFFAOYSA-N 1 2 407.474 2.669 40 0 HFABLO Cc1sc2ncnc(NCCC(=O)N3CC[NH+](Cc4ccccn4)CC3)c2c1C ZINC000019561655 558922345 /nfs/dbraw/zinc/92/23/45/558922345.db2.gz FEYZNUOOBHMXSN-UHFFFAOYSA-N 1 2 410.547 2.850 40 0 HFABLO Cc1ccccc1OC1CC[NH+](CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000019663812 558954675 /nfs/dbraw/zinc/95/46/75/558954675.db2.gz MNIBMFBGVNBNSY-UHFFFAOYSA-N 1 2 408.502 2.667 40 0 HFABLO O=C(CSc1nc2ccccc2nc1-c1ccccc1)N1CC[NH+](CCO)CC1 ZINC000019681470 558956856 /nfs/dbraw/zinc/95/68/56/558956856.db2.gz GSDWXFLOVUKBHE-UHFFFAOYSA-N 1 2 408.527 2.525 40 0 HFABLO COCCOc1cccc(C[N@@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370869 558957407 /nfs/dbraw/zinc/95/74/07/558957407.db2.gz NEEYBWDTOMJUTR-NRFANRHFSA-N 1 2 421.501 2.720 40 0 HFABLO COCCOc1cccc(C[N@H+]2CCO[C@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370869 558957409 /nfs/dbraw/zinc/95/74/09/558957409.db2.gz NEEYBWDTOMJUTR-NRFANRHFSA-N 1 2 421.501 2.720 40 0 HFABLO CNc1nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc2c1C[N@H+](C)CC2 ZINC000072372281 558959542 /nfs/dbraw/zinc/95/95/42/558959542.db2.gz JXBPFJQRHMCDGY-UHFFFAOYSA-N 1 2 423.561 2.854 40 0 HFABLO CNc1nc(C2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nc2c1C[N@@H+](C)CC2 ZINC000072372281 558959543 /nfs/dbraw/zinc/95/95/43/558959543.db2.gz JXBPFJQRHMCDGY-UHFFFAOYSA-N 1 2 423.561 2.854 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710596 558972689 /nfs/dbraw/zinc/97/26/89/558972689.db2.gz RUEDDEOKHNGVPS-GOSISDBHSA-N 1 2 409.534 2.672 40 0 HFABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710596 558972692 /nfs/dbraw/zinc/97/26/92/558972692.db2.gz RUEDDEOKHNGVPS-GOSISDBHSA-N 1 2 409.534 2.672 40 0 HFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)c2ccc4c(c2)OCO4)CC3)c1 ZINC000585111383 559030440 /nfs/dbraw/zinc/03/04/40/559030440.db2.gz RMZJLFOYUZUDGE-UHFFFAOYSA-N 1 2 418.453 2.936 40 0 HFABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccnnc1)CC2 ZINC000096037044 559090906 /nfs/dbraw/zinc/09/09/06/559090906.db2.gz BFVNRCIMAQSVEK-UHFFFAOYSA-N 1 2 402.502 2.807 40 0 HFABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)c1ccnnc1)CC2 ZINC000096037044 559090907 /nfs/dbraw/zinc/09/09/07/559090907.db2.gz BFVNRCIMAQSVEK-UHFFFAOYSA-N 1 2 402.502 2.807 40 0 HFABLO O=C(Nc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096082985 559094998 /nfs/dbraw/zinc/09/49/98/559094998.db2.gz APSCDQDMUMFVPX-VAMGGRTRSA-N 1 2 402.491 2.700 40 0 HFABLO O=C(Nc1ccccc1)[C@@H]1CCS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000096082985 559095000 /nfs/dbraw/zinc/09/50/00/559095000.db2.gz APSCDQDMUMFVPX-VAMGGRTRSA-N 1 2 402.491 2.700 40 0 HFABLO COCCN(C)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143951 559096417 /nfs/dbraw/zinc/09/64/17/559096417.db2.gz APHXUBRTSPCATC-LADGPHEKSA-N 1 2 410.514 2.800 40 0 HFABLO COCCN(C)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143951 559096419 /nfs/dbraw/zinc/09/64/19/559096419.db2.gz APHXUBRTSPCATC-LADGPHEKSA-N 1 2 410.514 2.800 40 0 HFABLO COc1cccc(C[N@@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)N2CCOCC2)C3)c1 ZINC000107704097 559165773 /nfs/dbraw/zinc/16/57/73/559165773.db2.gz OOYSWKKTNFTAPT-UPVQGACJSA-N 1 2 408.498 2.554 40 0 HFABLO COc1cccc(C[N@H+]2Cc3ccccc3[C@]23CO[C@H](C(=O)N2CCOCC2)C3)c1 ZINC000107704097 559165774 /nfs/dbraw/zinc/16/57/74/559165774.db2.gz OOYSWKKTNFTAPT-UPVQGACJSA-N 1 2 408.498 2.554 40 0 HFABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889467 560541939 /nfs/dbraw/zinc/54/19/39/560541939.db2.gz VNLXPBZMRNAHOK-RXVVDRJESA-N 1 2 422.533 2.967 40 0 HFABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000893577 560543528 /nfs/dbraw/zinc/54/35/28/560543528.db2.gz WXQOMBPCTOBCJJ-RXVVDRJESA-N 1 2 422.533 2.831 40 0 HFABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000001370926 560581141 /nfs/dbraw/zinc/58/11/41/560581141.db2.gz LYVCFZODSMSCFI-UHFFFAOYSA-N 1 2 400.504 2.576 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847484 560609427 /nfs/dbraw/zinc/60/94/27/560609427.db2.gz NYTVQPPUUDRJPB-IBGZPJMESA-N 1 2 412.538 2.832 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000004847484 560609428 /nfs/dbraw/zinc/60/94/28/560609428.db2.gz NYTVQPPUUDRJPB-IBGZPJMESA-N 1 2 412.538 2.832 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000216375679 568464778 /nfs/dbraw/zinc/46/47/78/568464778.db2.gz PWVFJJDXWUMJAM-UHFFFAOYSA-N 1 2 424.526 2.728 40 0 HFABLO NC(=O)C1CC[NH+]([C@@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000057671881 568493709 /nfs/dbraw/zinc/49/37/09/568493709.db2.gz HDPAMCOADLKNEX-HXUWFJFHSA-N 1 2 424.936 2.856 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057643918 568494280 /nfs/dbraw/zinc/49/42/80/568494280.db2.gz NKXWPAFPIWOFHN-SFHVURJKSA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000057643918 568494281 /nfs/dbraw/zinc/49/42/81/568494281.db2.gz NKXWPAFPIWOFHN-SFHVURJKSA-N 1 2 412.538 2.914 40 0 HFABLO CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1C ZINC000223136398 568539082 /nfs/dbraw/zinc/53/90/82/568539082.db2.gz DGMHQFSUJGIAIX-LEWJYISDSA-N 1 2 413.591 2.825 40 0 HFABLO CC(=O)NCC(=O)N1CC[C@@H](c2n[nH]cc2-c2cc[nH+]c(NCc3ccccc3)c2)C1 ZINC000257247069 568789584 /nfs/dbraw/zinc/78/95/84/568789584.db2.gz IXGGLHIUZVPADM-LJQANCHMSA-N 1 2 418.501 2.536 40 0 HFABLO CCCn1ncc(C[N@@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1C ZINC000257258998 568792402 /nfs/dbraw/zinc/79/24/02/568792402.db2.gz KWJZHPVDTXRHBO-OAQYLSRUSA-N 1 2 420.941 2.780 40 0 HFABLO CCCn1ncc(C[N@H+]2CCO[C@](COc3cccc(Cl)c3)(CC(N)=O)C2)c1C ZINC000257258998 568792404 /nfs/dbraw/zinc/79/24/04/568792404.db2.gz KWJZHPVDTXRHBO-OAQYLSRUSA-N 1 2 420.941 2.780 40 0 HFABLO Cc1ccc(-c2n[nH]cc2C(=O)N2CCC[C@@H](CC(=O)NCCn3cc[nH+]c3)C2)cc1 ZINC000257285587 568800021 /nfs/dbraw/zinc/80/00/21/568800021.db2.gz PHWMKWNYKDTMOL-SFHVURJKSA-N 1 2 420.517 2.640 40 0 HFABLO C[N@@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000306126518 568889366 /nfs/dbraw/zinc/88/93/66/568889366.db2.gz DYCXUIMJEADIFR-UHFFFAOYSA-N 1 2 406.465 2.556 40 0 HFABLO C[N@H+]1Cc2nnc(-c3ccc(F)cc3)n2C2(CCN(C(=O)c3ccncc3)CC2)C1 ZINC000306126518 568889368 /nfs/dbraw/zinc/88/93/68/568889368.db2.gz DYCXUIMJEADIFR-UHFFFAOYSA-N 1 2 406.465 2.556 40 0 HFABLO COc1ncccc1C[N@@H+]1CC[C@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306133971 568896134 /nfs/dbraw/zinc/89/61/34/568896134.db2.gz NAKOWOKKQVTWDX-NRFANRHFSA-N 1 2 417.531 2.526 40 0 HFABLO COc1ncccc1C[N@H+]1CC[C@]2(C1)CN(C(C)C)S(=O)(=O)c1ccccc1O2 ZINC000306133971 568896135 /nfs/dbraw/zinc/89/61/35/568896135.db2.gz NAKOWOKKQVTWDX-NRFANRHFSA-N 1 2 417.531 2.526 40 0 HFABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142390 568903991 /nfs/dbraw/zinc/90/39/91/568903991.db2.gz WYIKXAFWLUHEDH-HKUYNNGSSA-N 1 2 416.440 2.861 40 0 HFABLO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142390 568903993 /nfs/dbraw/zinc/90/39/93/568903993.db2.gz WYIKXAFWLUHEDH-HKUYNNGSSA-N 1 2 416.440 2.861 40 0 HFABLO CC(=O)N1C[C@H](c2cn(C(C)C)c[nH+]2)[C@]2(CCN(Cc3csc(C)n3)C2=O)C1 ZINC000306142463 568904045 /nfs/dbraw/zinc/90/40/45/568904045.db2.gz WZQRSHPLTSCCTB-XLIONFOSSA-N 1 2 401.536 2.594 40 0 HFABLO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000102073607 568937025 /nfs/dbraw/zinc/93/70/25/568937025.db2.gz MSAVAZBLLNMDPI-NVXWUHKLSA-N 1 2 423.439 2.940 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328957859 568969623 /nfs/dbraw/zinc/96/96/23/568969623.db2.gz ALWLGAXGTZVRIU-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@H+](C)C2)cc1 ZINC000020464352 575366469 /nfs/dbraw/zinc/36/64/69/575366469.db2.gz MAHZDWSYBUFUJA-RDJZCZTQSA-N 1 2 422.441 2.649 40 0 biogenic,in-vitro HFABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc5c(c4)OCO5)no3)[N@@H+](C)C2)cc1 ZINC000020464352 575366475 /nfs/dbraw/zinc/36/64/75/575366475.db2.gz MAHZDWSYBUFUJA-RDJZCZTQSA-N 1 2 422.441 2.649 40 0 biogenic,in-vitro HFABLO COc1ccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4c[nH+]c[nH]4)CC[C@H]3C2)cc1 ZINC000031153285 291225280 /nfs/dbraw/zinc/22/52/80/291225280.db2.gz NSMVFSLZQQSKFB-IRXDYDNUSA-N 1 2 411.506 2.753 40 0 biogenic,in-vitro HFABLO COc1ccc(NC(=O)N2CC[C@H]3CC(=O)N(CCc4c[nH]c[nH+]4)CC[C@H]3C2)cc1 ZINC000031153285 291225282 /nfs/dbraw/zinc/22/52/82/291225282.db2.gz NSMVFSLZQQSKFB-IRXDYDNUSA-N 1 2 411.506 2.753 40 0 biogenic,in-vitro HFABLO Cc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1N1CCCC1=O ZINC000044886166 525411032 /nfs/dbraw/zinc/41/10/32/525411032.db2.gz INLJCTYCNMNMFU-UHFFFAOYSA-N 1 2 410.499 2.786 40 0 HFABLO S=C(NCC[NH+]1CCN(c2ncccn2)CC1)Nc1ccc(Cl)cc1Cl ZINC000044241707 526384027 /nfs/dbraw/zinc/38/40/27/526384027.db2.gz HOWWPVYFLMITBQ-UHFFFAOYSA-N 1 2 411.362 2.892 40 0 HFABLO COC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC[N@H+](C)C2 ZINC000408575659 557479149 /nfs/dbraw/zinc/47/91/49/557479149.db2.gz OXGBVVKBROYZJN-UHFFFAOYSA-N 1 2 404.488 2.721 40 0 HFABLO COC(=O)c1c(NC(=O)Cc2ccc(OC)c(OC)c2)sc2c1CC[N@@H+](C)C2 ZINC000408575659 557479151 /nfs/dbraw/zinc/47/91/51/557479151.db2.gz OXGBVVKBROYZJN-UHFFFAOYSA-N 1 2 404.488 2.721 40 0 HFABLO O=C(C[C@H]1CCCO1)N1CCC(c2ccc3c(NCc4[nH]cc[nH+]4)n[nH]c3n2)CC1 ZINC000019745170 558265674 /nfs/dbraw/zinc/26/56/74/558265674.db2.gz GGXYMGSMOQJUJH-OAHLLOKOSA-N 1 2 409.494 2.568 40 0 HFABLO Cc1[nH]c2ccc(NC(=O)[C@@H]3CCN(S(=O)(=O)c4ccc(F)cc4)C3)cc2[nH+]1 ZINC000019747671 558267217 /nfs/dbraw/zinc/26/72/17/558267217.db2.gz XCENDUZCMAZRLI-CYBMUJFWSA-N 1 2 402.451 2.660 40 0 HFABLO Cc1[nH]c2ccc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)cc2[nH+]1 ZINC000019749232 558268413 /nfs/dbraw/zinc/26/84/13/558268413.db2.gz AWDSZECFMFTVRZ-UHFFFAOYSA-N 1 2 407.474 2.734 40 0 HFABLO Cc1[nH]c2cc(NC(=O)c3ccc(=O)n(CC(=O)NC4CCCCC4)c3)ccc2[nH+]1 ZINC000019749232 558268415 /nfs/dbraw/zinc/26/84/15/558268415.db2.gz AWDSZECFMFTVRZ-UHFFFAOYSA-N 1 2 407.474 2.734 40 0 HFABLO O=C(c1cc([C@H]2C[N@H+](Cc3cccnc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759336 558275888 /nfs/dbraw/zinc/27/58/88/558275888.db2.gz BVESCVRTNQMIAA-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO O=C(c1cc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2ccccc21)N1CCOCC1 ZINC000019759336 558275891 /nfs/dbraw/zinc/27/58/91/558275891.db2.gz BVESCVRTNQMIAA-HSZRJFAPSA-N 1 2 418.497 2.676 40 0 HFABLO COC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000020460257 558372346 /nfs/dbraw/zinc/37/23/46/558372346.db2.gz JWKTWNMYZGFGDM-VMPITWQZSA-N 1 2 414.527 2.634 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020635675 558395638 /nfs/dbraw/zinc/39/56/38/558395638.db2.gz APEIHSYARLDNQP-LLVKDONJSA-N 1 2 400.870 2.767 40 0 HFABLO CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3[nH+]c(N4CCCCC4)nc(N)c32)cc1 ZINC000020673994 558399051 /nfs/dbraw/zinc/39/90/51/558399051.db2.gz YUYQWFLWLDNHMV-HNNXBMFYSA-N 1 2 410.478 2.512 40 0 HFABLO O=C(CCc1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020902348 558420455 /nfs/dbraw/zinc/42/04/55/558420455.db2.gz YWXXSOLAEDTGBI-UHFFFAOYSA-N 1 2 420.469 2.742 40 0 HFABLO CCCCn1nc(C)c2c1nc(C)cc2C(=O)N1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000036612209 558724940 /nfs/dbraw/zinc/72/49/40/558724940.db2.gz NBHNZRHKXSDDEN-UHFFFAOYSA-N 1 2 423.565 2.848 40 0 HFABLO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240297 558858819 /nfs/dbraw/zinc/85/88/19/558858819.db2.gz IELMDTOBGBNJIG-UHFFFAOYSA-N 1 2 415.515 2.851 40 0 HFABLO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240297 558858821 /nfs/dbraw/zinc/85/88/21/558858821.db2.gz IELMDTOBGBNJIG-UHFFFAOYSA-N 1 2 415.515 2.851 40 0 HFABLO Cn1ccnc1[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000019291212 558863513 /nfs/dbraw/zinc/86/35/13/558863513.db2.gz XLYRVARCDWSZPE-NRFANRHFSA-N 1 2 408.477 2.911 40 0 HFABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@@H+]3Cc3cccs3)nc2C1 ZINC000019343455 558872459 /nfs/dbraw/zinc/87/24/59/558872459.db2.gz AEXGTLCZNXJFDE-IBGZPJMESA-N 1 2 421.526 2.762 40 0 HFABLO O=C(c1ccncc1)N1CCc2c(=O)[nH]c([C@@H]3CCC[N@H+]3Cc3cccs3)nc2C1 ZINC000019343455 558872460 /nfs/dbraw/zinc/87/24/60/558872460.db2.gz AEXGTLCZNXJFDE-IBGZPJMESA-N 1 2 421.526 2.762 40 0 HFABLO O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019349386 558874845 /nfs/dbraw/zinc/87/48/45/558874845.db2.gz RURKWCSBQRKZPF-HXUWFJFHSA-N 1 2 410.493 2.931 40 0 HFABLO O=C(C1CCC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019349386 558874846 /nfs/dbraw/zinc/87/48/46/558874846.db2.gz RURKWCSBQRKZPF-HXUWFJFHSA-N 1 2 410.493 2.931 40 0 HFABLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1F ZINC000057823186 558891225 /nfs/dbraw/zinc/89/12/25/558891225.db2.gz OVSHOCDMLDDKAO-IBGZPJMESA-N 1 2 405.495 2.534 40 0 HFABLO Cc1sc2c([C@@H]3CCCN(S(=O)(=O)c4cnn(C)c4C)C3)[nH+]c(C)n2c1C ZINC000019561738 558922655 /nfs/dbraw/zinc/92/26/55/558922655.db2.gz RDDWGISNXPFTJL-OAHLLOKOSA-N 1 2 407.565 2.931 40 0 HFABLO COc1cccc(-c2noc([C@@H]3CN(C(=O)C[NH+]4Cc5ccccc5C4)CCO3)n2)c1 ZINC000019566755 558926235 /nfs/dbraw/zinc/92/62/35/558926235.db2.gz KKAVUZZBZFUPIM-FQEVSTJZSA-N 1 2 420.469 2.661 40 0 HFABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000072324125 558933253 /nfs/dbraw/zinc/93/32/53/558933253.db2.gz QYLIBSJGZGXTKR-JOCHJYFZSA-N 1 2 422.504 2.905 40 0 HFABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000072324125 558933256 /nfs/dbraw/zinc/93/32/56/558933256.db2.gz QYLIBSJGZGXTKR-JOCHJYFZSA-N 1 2 422.504 2.905 40 0 HFABLO COc1ccccc1C[C@@H](C)Nc1cc(Cn2c3ccccc3n(C)c2=O)[nH+]c(N)n1 ZINC000019655495 558948871 /nfs/dbraw/zinc/94/88/71/558948871.db2.gz UVPGQMOYSCVYJP-OAHLLOKOSA-N 1 2 418.501 2.812 40 0 HFABLO COc1ccccc1C[C@H](C)Nc1cc(Cn2c3ccccc3n(C)c2=O)[nH+]c(N)n1 ZINC000019655497 558948883 /nfs/dbraw/zinc/94/88/83/558948883.db2.gz UVPGQMOYSCVYJP-HNNXBMFYSA-N 1 2 418.501 2.812 40 0 HFABLO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361475 558955998 /nfs/dbraw/zinc/95/59/98/558955998.db2.gz QLIWVQREZXTBHK-SFHVURJKSA-N 1 2 408.510 2.876 40 0 HFABLO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Nc3cc(C)[nH]n3)nc(C)n2)cn1 ZINC000072361475 558955999 /nfs/dbraw/zinc/95/59/99/558955999.db2.gz QLIWVQREZXTBHK-SFHVURJKSA-N 1 2 408.510 2.876 40 0 HFABLO Cn1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccn4)CC3)c3ccccc3n2)n1 ZINC000072390387 558970671 /nfs/dbraw/zinc/97/06/71/558970671.db2.gz WVMAUNMAXSFBJQ-UHFFFAOYSA-N 1 2 412.497 2.988 40 0 HFABLO Cn1c[nH+]c([C@H]2C[C@@]3(CN2C(=O)Cc2ccccc2)CCCN(CC2CC2)C3=O)c1 ZINC000585106501 559028911 /nfs/dbraw/zinc/02/89/11/559028911.db2.gz YRDCKSPTZLPOMF-ZJSXRUAMSA-N 1 2 406.530 2.955 40 0 HFABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@]2(C1)COCC[N@H+](Cc1cc[nH]n1)C2 ZINC000096076401 559094602 /nfs/dbraw/zinc/09/46/02/559094602.db2.gz HRYNWSDBHODEJF-QHCPKHFHSA-N 1 2 407.518 2.575 40 0 HFABLO O=C(Cc1c[nH]c2ccccc12)N1CCC[C@]2(C1)COCC[N@@H+](Cc1cc[nH]n1)C2 ZINC000096076401 559094604 /nfs/dbraw/zinc/09/46/04/559094604.db2.gz HRYNWSDBHODEJF-QHCPKHFHSA-N 1 2 407.518 2.575 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)NCCc1ccncc1)N(Cc1cccnc1)CC2 ZINC000096265055 559107603 /nfs/dbraw/zinc/10/76/03/559107603.db2.gz JZQVMGCTSBTIPW-JOCHJYFZSA-N 1 2 404.518 2.712 40 0 HFABLO O=C(CCCn1cc[nH+]c1)N1Cc2[nH]c3cc(-c4ccc(F)cc4)nn3c(=O)c2C1 ZINC000100215642 559132075 /nfs/dbraw/zinc/13/20/75/559132075.db2.gz JNTLPBCZXCLNNT-UHFFFAOYSA-N 1 2 406.421 2.760 40 0 HFABLO COc1cc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)ccc1OC(F)F ZINC000100769180 559140086 /nfs/dbraw/zinc/14/00/86/559140086.db2.gz FDBZPNPUNRPADZ-UHFFFAOYSA-N 1 2 404.417 2.954 40 0 HFABLO COc1cc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)ccc1OC(F)F ZINC000100769180 559140088 /nfs/dbraw/zinc/14/00/88/559140088.db2.gz FDBZPNPUNRPADZ-UHFFFAOYSA-N 1 2 404.417 2.954 40 0 HFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000115994599 559188726 /nfs/dbraw/zinc/18/87/26/559188726.db2.gz MJXNMNQGGBAEAF-UHFFFAOYSA-N 1 2 410.499 2.587 40 0 HFABLO Cc1cccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCCC3)c(=O)[nH]c12 ZINC000000889469 560541949 /nfs/dbraw/zinc/54/19/49/560541949.db2.gz VNLXPBZMRNAHOK-GHTZIAJQSA-N 1 2 422.533 2.967 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)cc2c1 ZINC000000889100 560542299 /nfs/dbraw/zinc/54/22/99/560542299.db2.gz LBUARMSNENZPGL-YLJYHZDGSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1cc2cc([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893960 560543469 /nfs/dbraw/zinc/54/34/69/560543469.db2.gz QKKJOKVFUNTDQD-WIYYLYMNSA-N 1 2 422.533 2.886 40 0 HFABLO Cc1cc2cc([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c2cc1C ZINC000000893957 560543500 /nfs/dbraw/zinc/54/35/00/560543500.db2.gz QKKJOKVFUNTDQD-NQIIRXRSSA-N 1 2 422.533 2.886 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160252 560601273 /nfs/dbraw/zinc/60/12/73/560601273.db2.gz ZLZUELCOXFCZDS-DJPFJPOOSA-N 1 2 422.533 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000004160252 560601275 /nfs/dbraw/zinc/60/12/75/560601275.db2.gz ZLZUELCOXFCZDS-DJPFJPOOSA-N 1 2 422.533 2.823 40 0 HFABLO COCCn1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004537513 560608351 /nfs/dbraw/zinc/60/83/51/560608351.db2.gz OSHWWPKXPNXAPF-HXUWFJFHSA-N 1 2 410.522 2.599 40 0 HFABLO COc1cccc(OC)c1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909538 560618125 /nfs/dbraw/zinc/61/81/25/560618125.db2.gz GPBSZMHXJKXZSV-UHFFFAOYSA-N 1 2 415.465 2.676 40 0 HFABLO CC(=O)Nc1ccc(NC(=S)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000017089241 560864095 /nfs/dbraw/zinc/86/40/95/560864095.db2.gz SCOXPGONMYUFPR-UHFFFAOYSA-N 1 2 412.515 2.888 40 0 HFABLO CC[C@H](C)NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000020081303 560880399 /nfs/dbraw/zinc/88/03/99/560880399.db2.gz RJHGQGUWHYWOPO-KRWDZBQOSA-N 1 2 416.591 2.644 40 0 HFABLO COc1cccc(-c2noc(CN(C)C(=O)c3cccc(C[NH+]4CCOCC4)c3)n2)c1 ZINC000219248948 568488548 /nfs/dbraw/zinc/48/85/48/568488548.db2.gz UWDXBQXFHRVLCR-UHFFFAOYSA-N 1 2 422.485 2.850 40 0 HFABLO CN(c1ccc(Cl)c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)S(C)(=O)=O ZINC000222493987 568516650 /nfs/dbraw/zinc/51/66/50/568516650.db2.gz CMNCECPOHFZXDM-UHFFFAOYSA-N 1 2 421.950 2.694 40 0 HFABLO CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223135344 568539095 /nfs/dbraw/zinc/53/90/95/568539095.db2.gz XSWDADAYHCCHGH-UXHICEINSA-N 1 2 413.591 2.943 40 0 HFABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000026319614 568545710 /nfs/dbraw/zinc/54/57/10/568545710.db2.gz KXGBXRYLOGOARS-UHFFFAOYSA-N 1 2 404.532 2.991 40 0 HFABLO CN(C)c1ncccc1C[N@@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257204828 568777584 /nfs/dbraw/zinc/77/75/84/568777584.db2.gz AWLKVQKLWOMODE-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO CN(C)c1ncccc1C[N@H+]1CCO[C@H](c2cccc(-c3cccc(C(N)=O)c3)n2)C1 ZINC000257204828 568777586 /nfs/dbraw/zinc/77/75/86/568777586.db2.gz AWLKVQKLWOMODE-QFIPXVFZSA-N 1 2 417.513 2.882 40 0 HFABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1Oc1ccccc1 ZINC000257221156 568782266 /nfs/dbraw/zinc/78/22/66/568782266.db2.gz DNSURPGKAMMVDP-GMAHTHKFSA-N 1 2 412.486 2.691 40 0 HFABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)CC[C@@H]1Oc1ccccc1 ZINC000257221156 568782267 /nfs/dbraw/zinc/78/22/67/568782267.db2.gz DNSURPGKAMMVDP-GMAHTHKFSA-N 1 2 412.486 2.691 40 0 HFABLO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)CCCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257225994 568783702 /nfs/dbraw/zinc/78/37/02/568783702.db2.gz FISANQJHHXSFDB-WRWLIDTKSA-N 1 2 401.898 2.925 40 0 HFABLO COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257277587 568797747 /nfs/dbraw/zinc/79/77/47/568797747.db2.gz NYOKHZLUVCICDJ-UNMCSNQZSA-N 1 2 402.466 2.986 40 0 HFABLO COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 ZINC000257277587 568797749 /nfs/dbraw/zinc/79/77/49/568797749.db2.gz NYOKHZLUVCICDJ-UNMCSNQZSA-N 1 2 402.466 2.986 40 0 HFABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000257278123 568798041 /nfs/dbraw/zinc/79/80/41/568798041.db2.gz OAXLSZNRPSGQEU-JXFKEZNVSA-N 1 2 405.495 2.812 40 0 HFABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](O)C2)nc1-c1ccc(F)cc1 ZINC000257278123 568798042 /nfs/dbraw/zinc/79/80/42/568798042.db2.gz OAXLSZNRPSGQEU-JXFKEZNVSA-N 1 2 405.495 2.812 40 0 HFABLO COc1ccc(OCCc2cc([C@@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)[nH]n2)cc1 ZINC000257309768 568807326 /nfs/dbraw/zinc/80/73/26/568807326.db2.gz UCHWCOKSDTVQLF-QFIPXVFZSA-N 1 2 411.506 2.655 40 0 HFABLO COc1ccc(OCCc2cc([C@@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)[nH]n2)cc1 ZINC000257309768 568807327 /nfs/dbraw/zinc/80/73/27/568807327.db2.gz UCHWCOKSDTVQLF-QFIPXVFZSA-N 1 2 411.506 2.655 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)sc2c1 ZINC000257315276 568808722 /nfs/dbraw/zinc/80/87/22/568808722.db2.gz VAPKDIABIFCIJJ-PXNSSMCTSA-N 1 2 405.520 2.903 40 0 HFABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@H](OC)[C@]4(CCCO4)C3)sc2c1 ZINC000257315276 568808723 /nfs/dbraw/zinc/80/87/23/568808723.db2.gz VAPKDIABIFCIJJ-PXNSSMCTSA-N 1 2 405.520 2.903 40 0 HFABLO COc1ccccc1C1=NO[C@@](C)(C(=O)N2CCC(C)(c3cc(N)nc(C)[nH+]3)CC2)C1 ZINC000257318422 568809781 /nfs/dbraw/zinc/80/97/81/568809781.db2.gz VNVXVZKRPQVVNB-HSZRJFAPSA-N 1 2 423.517 2.839 40 0 HFABLO COc1ccccc1C1=NO[C@](C)(C(=O)N2CCC(C)(c3cc(N)nc(C)[nH+]3)CC2)C1 ZINC000257318423 568809834 /nfs/dbraw/zinc/80/98/34/568809834.db2.gz VNVXVZKRPQVVNB-QHCPKHFHSA-N 1 2 423.517 2.839 40 0 HFABLO Nc1cc(-c2cncnc2[C@@H]2CN(C(=O)Cc3c[nH]c4ccccc34)CCO2)cc[nH+]1 ZINC000257323790 568811467 /nfs/dbraw/zinc/81/14/67/568811467.db2.gz WLVKRVVQKCSWGR-FQEVSTJZSA-N 1 2 414.469 2.745 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)=O)cc1 ZINC000261362583 568819299 /nfs/dbraw/zinc/81/92/99/568819299.db2.gz LSWQLSBXRJKILG-HXUWFJFHSA-O 1 2 423.474 2.697 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OC(C)=O ZINC000261363724 568819504 /nfs/dbraw/zinc/81/95/04/568819504.db2.gz HVLLZIVWIISXEL-HXUWFJFHSA-O 1 2 423.474 2.697 40 0 HFABLO COc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126411 568889434 /nfs/dbraw/zinc/88/94/34/568889434.db2.gz DUVSHWUDYLWTHN-RBBKRZOGSA-N 1 2 409.511 2.851 40 0 HFABLO COc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)c1 ZINC000306126411 568889435 /nfs/dbraw/zinc/88/94/35/568889435.db2.gz DUVSHWUDYLWTHN-RBBKRZOGSA-N 1 2 409.511 2.851 40 0 HFABLO O=C1N(c2cncnc2)C[C@@]2(F)C[N@@H+](Cc3cccc(-c4ccncc4)c3)C[C@@]12F ZINC000306139136 568900926 /nfs/dbraw/zinc/90/09/26/568900926.db2.gz SQEAIJCVXPLTSW-FCHUYYIVSA-N 1 2 407.424 2.818 40 0 HFABLO O=C1N(c2cncnc2)C[C@@]2(F)C[N@H+](Cc3cccc(-c4ccncc4)c3)C[C@@]12F ZINC000306139136 568900927 /nfs/dbraw/zinc/90/09/27/568900927.db2.gz SQEAIJCVXPLTSW-FCHUYYIVSA-N 1 2 407.424 2.818 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccncc5)CCN4C)nnn3c2)cn1 ZINC000306140843 568902642 /nfs/dbraw/zinc/90/26/42/568902642.db2.gz VFGVLYJGFWKEMA-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COc1ccc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccncc5)CCN4C)nnn3c2)cn1 ZINC000306140843 568902643 /nfs/dbraw/zinc/90/26/43/568902643.db2.gz VFGVLYJGFWKEMA-NRFANRHFSA-N 1 2 415.501 2.684 40 0 HFABLO COCC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142393 568904024 /nfs/dbraw/zinc/90/40/24/568904024.db2.gz WYIKXAFWLUHEDH-PKOBYXMFSA-N 1 2 416.440 2.861 40 0 HFABLO COCC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142393 568904026 /nfs/dbraw/zinc/90/40/26/568904026.db2.gz WYIKXAFWLUHEDH-PKOBYXMFSA-N 1 2 416.440 2.861 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000101320080 568916783 /nfs/dbraw/zinc/91/67/83/568916783.db2.gz NCPXALZWXBXALK-CGXNFDGLSA-N 1 2 404.466 2.839 40 0 HFABLO COc1ccc(N2C(=O)[C@@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000101320080 568916786 /nfs/dbraw/zinc/91/67/86/568916786.db2.gz NCPXALZWXBXALK-CGXNFDGLSA-N 1 2 404.466 2.839 40 0 HFABLO C[C@H](CO)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000329004441 568972134 /nfs/dbraw/zinc/97/21/34/568972134.db2.gz KSVDUTHRLLFECB-CYBMUJFWSA-N 1 2 414.307 2.550 40 0 HFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)n1 ZINC000019692508 569346136 /nfs/dbraw/zinc/34/61/36/569346136.db2.gz HQFLFWCBJOTLJY-JOCHJYFZSA-N 1 2 405.502 2.946 40 0 HFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)n1 ZINC000019692508 569346137 /nfs/dbraw/zinc/34/61/37/569346137.db2.gz HQFLFWCBJOTLJY-JOCHJYFZSA-N 1 2 405.502 2.946 40 0 HFABLO COc1ccc(CNC(=O)[C@@H]2C[N@H+](Cc3cnc(C)s3)Cc3cn(C)nc32)cc1 ZINC000019701536 569347348 /nfs/dbraw/zinc/34/73/48/569347348.db2.gz PTLIAWVLFXADLC-LJQANCHMSA-N 1 2 411.531 2.609 40 0 HFABLO COc1ccc(CNC(=O)[C@@H]2C[N@@H+](Cc3cnc(C)s3)Cc3cn(C)nc32)cc1 ZINC000019701536 569347349 /nfs/dbraw/zinc/34/73/49/569347349.db2.gz PTLIAWVLFXADLC-LJQANCHMSA-N 1 2 411.531 2.609 40 0 HFABLO OCCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329048397 571308350 /nfs/dbraw/zinc/30/83/50/571308350.db2.gz UJTCLINVGXNMSR-UHFFFAOYSA-N 1 2 405.502 3.518 40 0 HFABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CCCCN3C(=O)/C=C/C[NH+](C)C)n2)s1 ZINC000585292740 571310019 /nfs/dbraw/zinc/31/00/19/571310019.db2.gz SCUAJHSSGDGDKL-HQPKTYMTSA-N 1 2 415.567 3.114 40 0 HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@@H+]21 ZINC000253399487 291217253 /nfs/dbraw/zinc/21/72/53/291217253.db2.gz JMMAJWCPMYLHJH-QFIPXVFZSA-N 1 2 420.557 2.746 40 0 biogenic,in-vitro HFABLO CC1(C)CN(C(=O)NCc2ccccc2)C[C@@H]2CN(C(=O)Cc3ccccc3)CC[N@H+]21 ZINC000253399487 291217255 /nfs/dbraw/zinc/21/72/55/291217255.db2.gz JMMAJWCPMYLHJH-QFIPXVFZSA-N 1 2 420.557 2.746 40 0 biogenic,in-vitro HFABLO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@H+](Cc3ccc(F)cc3)CCN21 ZINC000253403967 291217626 /nfs/dbraw/zinc/21/76/26/291217626.db2.gz QSWWQWAJVKHROM-FQEVSTJZSA-N 1 2 417.550 2.795 40 0 biogenic,in-vitro HFABLO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CCN21 ZINC000253403967 291217630 /nfs/dbraw/zinc/21/76/30/291217630.db2.gz QSWWQWAJVKHROM-FQEVSTJZSA-N 1 2 417.550 2.795 40 0 biogenic,in-vitro HFABLO Cc1ccc2occ(C[N@@H+]3CCc4nc(N5CCC(C)CC5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012183072 132356047 /nfs/dbraw/zinc/35/60/47/132356047.db2.gz AORCIIUUTJZHOW-UHFFFAOYSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4nc(N5CCC(C)CC5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012183072 132356049 /nfs/dbraw/zinc/35/60/49/132356049.db2.gz AORCIIUUTJZHOW-UHFFFAOYSA-N 1 2 420.513 2.979 40 0 HFABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccccc1Cl)CC(=O)N2 ZINC000020635678 132470469 /nfs/dbraw/zinc/47/04/69/132470469.db2.gz APEIHSYARLDNQP-NSHDSACASA-N 1 2 400.870 2.767 40 0 HFABLO Cc1cccc2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCCCC3)c(=O)[nH]c12 ZINC000000889435 557112050 /nfs/dbraw/zinc/11/20/50/557112050.db2.gz BPNSUZUBBSNKOC-PXNSSMCTSA-N 1 2 408.506 2.577 40 0 HFABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)NC1CCCCC1 ZINC000408594831 557512288 /nfs/dbraw/zinc/51/22/88/557512288.db2.gz QXGWSGPJIRYBMH-UHFFFAOYSA-N 1 2 404.536 2.623 40 0 HFABLO Nc1nc(N2CCCC2)[nH+]c2c1[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)CC(=O)N2 ZINC000019819992 558290404 /nfs/dbraw/zinc/29/04/04/558290404.db2.gz KBANLKYTIORLMD-LBPRGKRZSA-N 1 2 420.395 2.742 40 0 HFABLO COc1cc(C[N@@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc(OC)c1OC ZINC000012366439 558388162 /nfs/dbraw/zinc/38/81/62/558388162.db2.gz ZJRFINOLXNCIEI-XXBNENTESA-N 1 2 410.470 2.529 40 0 HFABLO COc1cc(C[N@H+]2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc(OC)c1OC ZINC000012366439 558388170 /nfs/dbraw/zinc/38/81/70/558388170.db2.gz ZJRFINOLXNCIEI-XXBNENTESA-N 1 2 410.470 2.529 40 0 HFABLO CCOC(=O)C1=C(O)NC(N2CCc3ccccc3C2)=[NH+][C@H]1c1ccccc1OCC ZINC000020801749 558415615 /nfs/dbraw/zinc/41/56/15/558415615.db2.gz UTNCZXYGWCPGBY-RTWAWAEBSA-N 1 2 421.497 2.850 40 0 HFABLO CCn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(OC)ccc21 ZINC000022235907 558470571 /nfs/dbraw/zinc/47/05/71/558470571.db2.gz ZVRQUQXTVNFDOJ-UHFFFAOYSA-N 1 2 405.498 2.988 40 0 HFABLO Cc1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1N1CCCC1=O ZINC000022511989 558492942 /nfs/dbraw/zinc/49/29/42/558492942.db2.gz CIZLPLQTCBRKOA-UHFFFAOYSA-N 1 2 410.499 2.786 40 0 HFABLO CCc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000022513609 558493338 /nfs/dbraw/zinc/49/33/38/558493338.db2.gz IDUNGHAFUWFNGZ-UHFFFAOYSA-N 1 2 412.515 2.517 40 0 HFABLO Cn1cc[nH+]c1[C@H](NC(=O)CCc1nc(-c2ccccn2)no1)c1ccc(F)cc1 ZINC000019291193 558863629 /nfs/dbraw/zinc/86/36/29/558863629.db2.gz FLRPMTMNSITALF-LJQANCHMSA-N 1 2 406.421 2.843 40 0 HFABLO COc1cc(C[NH+]2CCN(C(=O)Cc3sc(C)nc3C)CC2)cc(OC)c1OC ZINC000019560435 558921299 /nfs/dbraw/zinc/92/12/99/558921299.db2.gz MIDOUXIWNWUYPM-UHFFFAOYSA-N 1 2 419.547 2.673 40 0 HFABLO COc1ccc2cc(CN(CC[NH+]3CCOCC3)Cc3cccnc3)c(OC)nc2c1 ZINC000019563952 558924061 /nfs/dbraw/zinc/92/40/61/558924061.db2.gz NGSXRZUPEGDPSZ-UHFFFAOYSA-N 1 2 422.529 2.981 40 0 HFABLO COc1ccc2cc(C[N@H+](CCN3CCOCC3)Cc3cccnc3)c(OC)nc2c1 ZINC000019563952 558924064 /nfs/dbraw/zinc/92/40/64/558924064.db2.gz NGSXRZUPEGDPSZ-UHFFFAOYSA-N 1 2 422.529 2.981 40 0 HFABLO COc1ccc2cc(C[N@@H+](CCN3CCOCC3)Cc3cccnc3)c(OC)nc2c1 ZINC000019563952 558924066 /nfs/dbraw/zinc/92/40/66/558924066.db2.gz NGSXRZUPEGDPSZ-UHFFFAOYSA-N 1 2 422.529 2.981 40 0 HFABLO COc1cccc([C@@H](NC(=O)Cn2c(=O)cc(C)c3ccccc32)c2[nH+]ccn2C)c1 ZINC000019566498 558926151 /nfs/dbraw/zinc/92/61/51/558926151.db2.gz OGTAFFRIQAIMMO-HSZRJFAPSA-N 1 2 416.481 2.958 40 0 HFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335582 558936730 /nfs/dbraw/zinc/93/67/30/558936730.db2.gz DIPZTJWETZQAMJ-HOTGVXAUSA-N 1 2 405.502 2.902 40 0 HFABLO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4ccccc4n2)C3)C[C@H](C)O1 ZINC000072335582 558936731 /nfs/dbraw/zinc/93/67/31/558936731.db2.gz DIPZTJWETZQAMJ-HOTGVXAUSA-N 1 2 405.502 2.902 40 0 HFABLO COc1ccc([C@H](CN(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)[NH+]2CCOCC2)cc1 ZINC000019585951 558939226 /nfs/dbraw/zinc/93/92/26/558939226.db2.gz NHBSUVQOTUKBCW-IRLDBZIGSA-N 1 2 423.513 2.653 40 0 HFABLO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@H+](Cc2ccccn2)CCO1 ZINC000019591918 558942695 /nfs/dbraw/zinc/94/26/95/558942695.db2.gz WTOJTIWMGURIKW-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO CNC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](Cc2ccccn2)CCO1 ZINC000019591918 558942699 /nfs/dbraw/zinc/94/26/99/558942699.db2.gz WTOJTIWMGURIKW-XMMPIXPASA-N 1 2 402.498 2.703 40 0 HFABLO COCCNC(=O)c1cc([C@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354993 558952332 /nfs/dbraw/zinc/95/23/32/558952332.db2.gz SLGDQNRDNPVCOC-JOCHJYFZSA-N 1 2 406.486 2.580 40 0 HFABLO COCCNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000072354993 558952336 /nfs/dbraw/zinc/95/23/36/558952336.db2.gz SLGDQNRDNPVCOC-JOCHJYFZSA-N 1 2 406.486 2.580 40 0 HFABLO CC(=O)N1CCC[C@H]1c1nc2c(c(NCCOc3cccc(F)c3)n1)C[N@H+](C)CC2 ZINC000072372405 558959966 /nfs/dbraw/zinc/95/99/66/558959966.db2.gz RBMHSMRSRKVJPA-FQEVSTJZSA-N 1 2 413.497 2.778 40 0 HFABLO CC(=O)N1CCC[C@H]1c1nc2c(c(NCCOc3cccc(F)c3)n1)C[N@@H+](C)CC2 ZINC000072372405 558959967 /nfs/dbraw/zinc/95/99/67/558959967.db2.gz RBMHSMRSRKVJPA-FQEVSTJZSA-N 1 2 413.497 2.778 40 0 HFABLO Cc1ccc[nH+]c1Nc1ccc(C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)nc1 ZINC000072374341 558961764 /nfs/dbraw/zinc/96/17/64/558961764.db2.gz MHYDBQLAHKYPQF-UHFFFAOYSA-N 1 2 412.519 2.830 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019710597 558972880 /nfs/dbraw/zinc/97/28/80/558972880.db2.gz RUEDDEOKHNGVPS-SFHVURJKSA-N 1 2 409.534 2.672 40 0 HFABLO CNc1nc([C@H]2CCCN(C(=O)c3ccc(COC)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019710597 558972882 /nfs/dbraw/zinc/97/28/82/558972882.db2.gz RUEDDEOKHNGVPS-SFHVURJKSA-N 1 2 409.534 2.672 40 0 HFABLO Cc1ccc([C@@H](CNC(=O)c2cc(=O)n(C)c3ccccc23)[NH+]2CCOCC2)cc1 ZINC000019714430 558974388 /nfs/dbraw/zinc/97/43/88/558974388.db2.gz CFJNLDWMRLIARN-JOCHJYFZSA-N 1 2 405.498 2.650 40 0 HFABLO Cc1cc(N)n(-c2ccc(C(=O)NC[C@H](c3ccc(C)cc3)[NH+]3CCOCC3)cc2)n1 ZINC000019717871 558980899 /nfs/dbraw/zinc/98/08/99/558980899.db2.gz DDIMGGBBHNAECP-JOCHJYFZSA-N 1 2 419.529 2.875 40 0 HFABLO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1nccs1)C2 ZINC000096036257 559089838 /nfs/dbraw/zinc/08/98/38/559089838.db2.gz NTRBIALTVDNIQW-OAQYLSRUSA-N 1 2 413.547 2.731 40 0 HFABLO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1nccs1)C2 ZINC000096036257 559089839 /nfs/dbraw/zinc/08/98/39/559089839.db2.gz NTRBIALTVDNIQW-OAQYLSRUSA-N 1 2 413.547 2.731 40 0 HFABLO O=C(NCC[NH+]1CCOCC1)c1c2ccccn2c2ncnc(-c3ccccc3)c21 ZINC000096146664 559098033 /nfs/dbraw/zinc/09/80/33/559098033.db2.gz ZCWNVMUKDGCHKG-UHFFFAOYSA-N 1 2 401.470 2.612 40 0 HFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)NCc1cccnc1)N(C(=O)c1ccccc1)CC2 ZINC000096147277 559098382 /nfs/dbraw/zinc/09/83/82/559098382.db2.gz VMHCYCMHAYKWNO-NRFANRHFSA-N 1 2 403.486 2.915 40 0 HFABLO Cc1ccc(CC(=O)N2CCC[C@]3(C(=O)N(C)C)CN(c4cccc[nH+]4)C[C@@H]3C2)cc1 ZINC000096251249 559105332 /nfs/dbraw/zinc/10/53/32/559105332.db2.gz POJXZJKRBWHAPS-OFVILXPXSA-N 1 2 420.557 2.766 40 0 HFABLO O=C(CCN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)NCCCn1cc[nH+]c1 ZINC000033583182 559216112 /nfs/dbraw/zinc/21/61/12/559216112.db2.gz YWMSPMIXCWDLHN-VBKFSLOCSA-N 1 2 402.451 2.655 40 0 HFABLO COc1cccc(-c2ccc3c(c2)O[C@H]2CN(Cc4[nH+]ccn4C)C[C@H]2N(C)C3=O)c1 ZINC000514288999 560033481 /nfs/dbraw/zinc/03/34/81/560033481.db2.gz DXISTDVXKCSCJE-IRLDBZIGSA-N 1 2 418.497 2.813 40 0 biogenic,in-vitro HFABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212431 560603720 /nfs/dbraw/zinc/60/37/20/560603720.db2.gz TWIATNAZJISXAQ-FQEVSTJZSA-N 1 2 410.522 2.599 40 0 HFABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1C ZINC000223179584 568540213 /nfs/dbraw/zinc/54/02/13/568540213.db2.gz GWHJSWHBXHMEFA-SFTDATJTSA-N 1 2 413.591 2.732 40 0 HFABLO CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223350569 568546092 /nfs/dbraw/zinc/54/60/92/568546092.db2.gz FOJQVTANJPYYMQ-QHCPKHFHSA-N 1 2 423.557 2.861 40 0 HFABLO COc1ccc(OCCCC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000026539219 568551838 /nfs/dbraw/zinc/55/18/38/568551838.db2.gz JWZXNWBPLBDUGM-UHFFFAOYSA-N 1 2 412.486 2.927 40 0 HFABLO CCc1cc(S(=O)(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1OC ZINC000223712179 568557072 /nfs/dbraw/zinc/55/70/72/568557072.db2.gz FTASEIXUWBFBPN-UHFFFAOYSA-N 1 2 404.532 2.568 40 0 HFABLO CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1 ZINC000224162466 568572082 /nfs/dbraw/zinc/57/20/82/568572082.db2.gz RDMPYDREZZKWBR-UHFFFAOYSA-N 1 2 416.478 2.667 40 0 HFABLO O=C(Cn1ccc(=O)c2cc(F)ccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225752941 568671227 /nfs/dbraw/zinc/67/12/27/568671227.db2.gz HLXGNUSJPXMILM-QPJJXVBHSA-N 1 2 405.473 2.998 40 0 HFABLO COc1cccc(NC(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000225764107 568672232 /nfs/dbraw/zinc/67/22/32/568672232.db2.gz CZNZTMHFUVXTAH-UHFFFAOYSA-N 1 2 418.519 2.584 40 0 HFABLO Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](CC(=O)NCCn2cc[nH+]c2)C1 ZINC000257204179 568777266 /nfs/dbraw/zinc/77/72/66/568777266.db2.gz ATJWJEFOJASIOA-IBGZPJMESA-N 1 2 407.518 2.591 40 0 HFABLO CCCN1CC[N@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257278008 568797978 /nfs/dbraw/zinc/79/79/78/568797978.db2.gz OAJDAKUAJLRNOE-LJQANCHMSA-N 1 2 409.530 2.560 40 0 HFABLO CCCN1CC[N@@H+](CC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2OC)C1=O ZINC000257278008 568797979 /nfs/dbraw/zinc/79/79/79/568797979.db2.gz OAJDAKUAJLRNOE-LJQANCHMSA-N 1 2 409.530 2.560 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1C[N@H+](C)CC2 ZINC000257300951 568804669 /nfs/dbraw/zinc/80/46/69/568804669.db2.gz RWISPHKJUWMZTF-KRWDZBQOSA-N 1 2 411.525 2.984 40 0 HFABLO CNc1nc([C@H]2CCN(C(=O)CCCc3ccc(F)cc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000257300951 568804671 /nfs/dbraw/zinc/80/46/71/568804671.db2.gz RWISPHKJUWMZTF-KRWDZBQOSA-N 1 2 411.525 2.984 40 0 HFABLO Nc1cc(-c2cncnc2[C@H]2CN(C(=O)Cc3c[nH]c4ccccc34)CCO2)cc[nH+]1 ZINC000257323791 568811419 /nfs/dbraw/zinc/81/14/19/568811419.db2.gz WLVKRVVQKCSWGR-HXUWFJFHSA-N 1 2 414.469 2.745 40 0 HFABLO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)Cn1cc[nH+]c1)[C@H]2Cc1ccccc1 ZINC000257341110 568816520 /nfs/dbraw/zinc/81/65/20/568816520.db2.gz ZIVXKPHFDQUAEB-CHSSDKTLSA-N 1 2 406.530 2.885 40 0 HFABLO Cc1cccc(C[N@@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)n1 ZINC000306124639 568887620 /nfs/dbraw/zinc/88/76/20/568887620.db2.gz BVPDYPFQFSKVBF-LJQANCHMSA-N 1 2 416.489 2.569 40 0 HFABLO Cc1cccc(C[N@H+]2CCO[C@@H](Cn3nnc4c3ncnc4Nc3ccccc3)C2)n1 ZINC000306124639 568887621 /nfs/dbraw/zinc/88/76/21/568887621.db2.gz BVPDYPFQFSKVBF-LJQANCHMSA-N 1 2 416.489 2.569 40 0 HFABLO Cc1ccc(-c2ccc3c([C@H]4C[N@H+](Cc5cnn(C)c5)CCN4C)nnn3c2)cc1 ZINC000306126166 568888828 /nfs/dbraw/zinc/88/88/28/568888828.db2.gz DOQDTPGYBXEFIX-JOCHJYFZSA-N 1 2 401.518 2.927 40 0 HFABLO Cc1ccc(-c2ccc3c([C@H]4C[N@@H+](Cc5cnn(C)c5)CCN4C)nnn3c2)cc1 ZINC000306126166 568888829 /nfs/dbraw/zinc/88/88/29/568888829.db2.gz DOQDTPGYBXEFIX-JOCHJYFZSA-N 1 2 401.518 2.927 40 0 HFABLO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 ZINC000306128173 568890897 /nfs/dbraw/zinc/89/08/97/568890897.db2.gz GSZORAHBSQTSHS-RBUKOAKNSA-N 1 2 409.515 2.738 40 0 HFABLO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1csc(C)n1 ZINC000306128173 568890899 /nfs/dbraw/zinc/89/08/99/568890899.db2.gz GSZORAHBSQTSHS-RBUKOAKNSA-N 1 2 409.515 2.738 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2S3(=O)=O)cn1 ZINC000306136631 568898442 /nfs/dbraw/zinc/89/84/42/568898442.db2.gz PYSLOCGOAYZBJN-PGRDOPGGSA-N 1 2 423.494 2.571 40 0 HFABLO Cn1cc(-c2ccc3c(c2)[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2S3(=O)=O)cn1 ZINC000306136631 568898444 /nfs/dbraw/zinc/89/84/44/568898444.db2.gz PYSLOCGOAYZBJN-PGRDOPGGSA-N 1 2 423.494 2.571 40 0 HFABLO CCn1cc(C[N@@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137934 568899776 /nfs/dbraw/zinc/89/97/76/568899776.db2.gz RKINUKBXUDXSCL-AZUAARDMSA-N 1 2 412.490 2.859 40 0 HFABLO CCn1cc(C[N@H+]2C[C@H]3c4cc(-c5ccc(F)nc5)ccc4S(=O)(=O)[C@@H]3C2)cn1 ZINC000306137934 568899778 /nfs/dbraw/zinc/89/97/78/568899778.db2.gz RKINUKBXUDXSCL-AZUAARDMSA-N 1 2 412.490 2.859 40 0 HFABLO C[N@@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)[C@H](c2ccccc2)C1 ZINC000248089874 569316176 /nfs/dbraw/zinc/31/61/76/569316176.db2.gz UURLQFWYXQMXMS-IRLDBZIGSA-N 1 2 419.525 2.950 40 0 HFABLO C[N@H+]1CCN(C(=O)c2cccc3c2C(=O)N(C[C@H]2CCCO2)C3)[C@H](c2ccccc2)C1 ZINC000248089874 569316178 /nfs/dbraw/zinc/31/61/78/569316178.db2.gz UURLQFWYXQMXMS-IRLDBZIGSA-N 1 2 419.525 2.950 40 0 HFABLO COCCNC(=O)c1cc([C@H]2C[N@H+](Cc3cccnc3)CCO2)nc2ccccc21 ZINC000019753900 558273322 /nfs/dbraw/zinc/27/33/22/558273322.db2.gz BODAEDUXUCAROE-JOCHJYFZSA-N 1 2 406.486 2.580 40 0 HFABLO COCCNC(=O)c1cc([C@H]2C[N@@H+](Cc3cccnc3)CCO2)nc2ccccc21 ZINC000019753900 558273326 /nfs/dbraw/zinc/27/33/26/558273326.db2.gz BODAEDUXUCAROE-JOCHJYFZSA-N 1 2 406.486 2.580 40 0 HFABLO CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020049092 558328073 /nfs/dbraw/zinc/32/80/73/558328073.db2.gz FKXPJUMMGSCVLB-UHFFFAOYSA-N 1 2 404.879 2.827 40 0 HFABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000020488141 558376996 /nfs/dbraw/zinc/37/69/96/558376996.db2.gz WTVKETXPESLHFD-UHFFFAOYSA-N 1 2 418.906 2.608 40 0 HFABLO CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2[nH+]c(N3CCCCC3)nc(N)c21 ZINC000020635684 558395667 /nfs/dbraw/zinc/39/56/67/558395667.db2.gz TUZPHKLUPSRXCB-ZDUSSCGKSA-N 1 2 410.478 2.512 40 0 HFABLO COc1ccc(C)cc1N1C(=O)C[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609350 558501180 /nfs/dbraw/zinc/50/11/80/558501180.db2.gz QINOBCDZYMWOAL-SFHVURJKSA-N 1 2 410.470 2.711 40 0 HFABLO COc1ccc(C)cc1N1C(=O)C[C@H]([N@H+]2CCc3cc(OC)c(OC)cc3C2)C1=O ZINC000022609350 558501183 /nfs/dbraw/zinc/50/11/83/558501183.db2.gz QINOBCDZYMWOAL-SFHVURJKSA-N 1 2 410.470 2.711 40 0 HFABLO Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000014426562 558654736 /nfs/dbraw/zinc/65/47/36/558654736.db2.gz ZBCNXVZJZLZXMA-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO COCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000038829831 558816373 /nfs/dbraw/zinc/81/63/73/558816373.db2.gz AWXJMIOHROSTQV-UHFFFAOYSA-N 1 2 413.909 2.892 40 0 HFABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O ZINC000019286748 558860599 /nfs/dbraw/zinc/86/05/99/558860599.db2.gz YUUGFOSNNWRBGN-CQSZACIVSA-N 1 2 412.515 2.942 40 0 HFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496580 558895443 /nfs/dbraw/zinc/89/54/43/558895443.db2.gz FSIQRLPNTPKXSH-HNNXBMFYSA-N 1 2 406.486 2.671 40 0 HFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2coc4ccccc4c2=O)CC3)C1 ZINC000019496580 558895446 /nfs/dbraw/zinc/89/54/46/558895446.db2.gz FSIQRLPNTPKXSH-HNNXBMFYSA-N 1 2 406.486 2.671 40 0 HFABLO CCSc1ncc(C[NH+]2CCC3(CC2)CNC(=O)c2ccc(OC)cc2O3)cn1 ZINC000019520522 558901524 /nfs/dbraw/zinc/90/15/24/558901524.db2.gz MPMCPGPFZZNMRB-UHFFFAOYSA-N 1 2 414.531 2.754 40 0 HFABLO COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CCN(C(=O)Cn4cc[nH+]c4)C[C@@H]23)cc1 ZINC000019557254 558919400 /nfs/dbraw/zinc/91/94/00/558919400.db2.gz BMGJDJSZNDKLRO-FKBYEOEOSA-N 1 2 422.529 2.535 40 0 HFABLO COc1cccc([C@H](NS(=O)(=O)c2ccc(OC)c(C)c2)c2[nH+]ccn2C)c1 ZINC000019571451 558930146 /nfs/dbraw/zinc/93/01/46/558930146.db2.gz ICOYBDJCHPRXTC-IBGZPJMESA-N 1 2 401.488 2.814 40 0 HFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC000019573292 558931503 /nfs/dbraw/zinc/93/15/03/558931503.db2.gz BGEMCCGRSDRCKP-CQSZACIVSA-N 1 2 410.927 2.521 40 0 HFABLO CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@H+](C)CC2 ZINC000019710881 558973158 /nfs/dbraw/zinc/97/31/58/558973158.db2.gz HZEFHFJSNCTHIJ-HXUWFJFHSA-N 1 2 409.534 2.811 40 0 HFABLO CNc1nc([C@H]2CCCN2C(=O)CCc2ccc(OC)cc2)nc2c1C[N@@H+](C)CC2 ZINC000019710881 558973159 /nfs/dbraw/zinc/97/31/59/558973159.db2.gz HZEFHFJSNCTHIJ-HXUWFJFHSA-N 1 2 409.534 2.811 40 0 HFABLO CC(C)n1cc(C[N@@H+]2CCC[C@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)cn1 ZINC000585101078 559025613 /nfs/dbraw/zinc/02/56/13/559025613.db2.gz BQKHRZUPXRYNNX-FQEVSTJZSA-N 1 2 403.502 2.535 40 0 HFABLO CC(C)n1cc(C[N@H+]2CCC[C@]3(CC(C(=O)N4CC(F)(C5CC5)C4)=NO3)C2)cn1 ZINC000585101078 559025614 /nfs/dbraw/zinc/02/56/14/559025614.db2.gz BQKHRZUPXRYNNX-FQEVSTJZSA-N 1 2 403.502 2.535 40 0 HFABLO Cc1noc(C)c1C(=O)N1C[C@]2(C[C@@H]1c1cn(C)c[nH+]1)CCCN(CC1CC1)C2=O ZINC000585106465 559028780 /nfs/dbraw/zinc/02/87/80/559028780.db2.gz OAUOKMPNUZDLMR-XMSQKQJNSA-N 1 2 411.506 2.631 40 0 HFABLO CCN1CC2(CC[NH+](Cc3nccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037144 559090933 /nfs/dbraw/zinc/09/09/33/559090933.db2.gz HYHVHFWSFCEOIB-UHFFFAOYSA-N 1 2 407.561 2.829 40 0 HFABLO COCCN(C)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@H+]2Cc1cccc(OC)c1 ZINC000096143954 559096433 /nfs/dbraw/zinc/09/64/33/559096433.db2.gz APHXUBRTSPCATC-VWNXMTODSA-N 1 2 410.514 2.800 40 0 HFABLO COCCN(C)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2Cc1cccc(OC)c1 ZINC000096143954 559096435 /nfs/dbraw/zinc/09/64/35/559096435.db2.gz APHXUBRTSPCATC-VWNXMTODSA-N 1 2 410.514 2.800 40 0 HFABLO Cn1c[nH+]c2c1[C@H](C(=O)N1CCN(c3ccccc3)CC1)N(Cc1ccccc1)CC2 ZINC000096147174 559098242 /nfs/dbraw/zinc/09/82/42/559098242.db2.gz XJMBESXGZXEDKH-XMMPIXPASA-N 1 2 415.541 2.868 40 0 HFABLO Cn1cnc2c1[C@H](C(=O)N1CCN(c3ccccc3)CC1)[N@H+](Cc1ccccc1)CC2 ZINC000096147174 559098243 /nfs/dbraw/zinc/09/82/43/559098243.db2.gz XJMBESXGZXEDKH-XMMPIXPASA-N 1 2 415.541 2.868 40 0 HFABLO Cn1cnc2c1[C@H](C(=O)N1CCN(c3ccccc3)CC1)[N@@H+](Cc1ccccc1)CC2 ZINC000096147174 559098244 /nfs/dbraw/zinc/09/82/44/559098244.db2.gz XJMBESXGZXEDKH-XMMPIXPASA-N 1 2 415.541 2.868 40 0 HFABLO COc1cc(OC)cc(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3F)CC2)c1 ZINC000004909651 560618110 /nfs/dbraw/zinc/61/81/10/560618110.db2.gz RPXFKZDKOUICTB-UHFFFAOYSA-N 1 2 415.465 2.676 40 0 HFABLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000004910304 560618253 /nfs/dbraw/zinc/61/82/53/560618253.db2.gz WXUFGQVGFFWDES-UHFFFAOYSA-N 1 2 408.481 2.563 40 0 HFABLO O=C(NCC[NH+]1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000013968587 560831321 /nfs/dbraw/zinc/83/13/21/560831321.db2.gz ZUIWSHRJWJXDJO-QPXUXIHVSA-N 1 2 417.553 2.854 40 0 HFABLO Cc1cc(C)cc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(C)(=O)=O)c1 ZINC000216308886 568464368 /nfs/dbraw/zinc/46/43/68/568464368.db2.gz CGZXOTFCBJVLQE-UHFFFAOYSA-N 1 2 412.515 2.572 40 0 HFABLO Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000216341593 568464549 /nfs/dbraw/zinc/46/45/49/568464549.db2.gz HQPXWLRSQYKYEW-UHFFFAOYSA-N 1 2 424.526 2.895 40 0 HFABLO CC[C@@H](NC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000219247829 568488497 /nfs/dbraw/zinc/48/84/97/568488497.db2.gz CBSKJMLMJDOCOU-OAQYLSRUSA-N 1 2 416.543 2.803 40 0 HFABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)c(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589666 568492853 /nfs/dbraw/zinc/49/28/53/568492853.db2.gz ZJYZLNXVTGRHJG-FQEVSTJZSA-N 1 2 424.549 2.823 40 0 HFABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(O)CC3)c(=O)[nH]c12 ZINC000057589688 568492858 /nfs/dbraw/zinc/49/28/58/568492858.db2.gz OCRGVOSNICBGSD-NRFANRHFSA-N 1 2 422.533 2.874 40 0 HFABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCC(O)CC1 ZINC000057589793 568492893 /nfs/dbraw/zinc/49/28/93/568492893.db2.gz DVEVCSWYLIBTEE-HXUWFJFHSA-N 1 2 424.549 2.823 40 0 HFABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)NCC(C)C)cc2c1 ZINC000026099810 568539027 /nfs/dbraw/zinc/53/90/27/568539027.db2.gz GZOMGXMPEKXAAX-UHFFFAOYSA-N 1 2 416.591 2.501 40 0 HFABLO CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223135461 568539043 /nfs/dbraw/zinc/53/90/43/568539043.db2.gz XSWDADAYHCCHGH-PMACEKPBSA-N 1 2 413.591 2.943 40 0 HFABLO CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c1 ZINC000223135284 568539106 /nfs/dbraw/zinc/53/91/06/568539106.db2.gz XSWDADAYHCCHGH-WOJBJXKFSA-N 1 2 413.591 2.943 40 0 HFABLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000225177454 568620796 /nfs/dbraw/zinc/62/07/96/568620796.db2.gz JWLJFAGBWPAMFN-UHFFFAOYSA-N 1 2 408.907 2.633 40 0 HFABLO O=C(Cn1c2ccccc2nc1C(F)(F)F)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257238102 568787049 /nfs/dbraw/zinc/78/70/49/568787049.db2.gz HJPLWXGYDZORSG-FRFSOERESA-N 1 2 407.396 2.523 40 0 HFABLO O=C(NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000257255470 568791635 /nfs/dbraw/zinc/79/16/35/568791635.db2.gz KHPKPEAKAABHFB-IBGZPJMESA-N 1 2 419.407 2.738 40 0 HFABLO Cc1c(F)cccc1NC(=O)C[NH+]1CCC2(CN(S(C)(=O)=O)C(C)(C)C2)CC1 ZINC000257290561 568801636 /nfs/dbraw/zinc/80/16/36/568801636.db2.gz QDKZSFQVWOBREP-UHFFFAOYSA-N 1 2 411.543 2.599 40 0 HFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)=O)cc1 ZINC000261362582 568819319 /nfs/dbraw/zinc/81/93/19/568819319.db2.gz LSWQLSBXRJKILG-FQEVSTJZSA-O 1 2 423.474 2.697 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@H+](Cc3cccnc3)C[C@@H]1S2(=O)=O ZINC000306132330 568894585 /nfs/dbraw/zinc/89/45/85/568894585.db2.gz LFGRRUVVCLVTHE-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1S2(=O)=O ZINC000306132330 568894588 /nfs/dbraw/zinc/89/45/88/568894588.db2.gz LFGRRUVVCLVTHE-FPOVZHCZSA-N 1 2 407.495 2.908 40 0 HFABLO COCCN1CCC[C@@]2(C[N@H+](Cc3ccc4c(c3)OCCO4)CC(F)(F)C2)C1=O ZINC000306132694 568894943 /nfs/dbraw/zinc/89/49/43/568894943.db2.gz LPKBEOKNQOCQRI-HXUWFJFHSA-N 1 2 410.461 2.554 40 0 HFABLO COCCN1CCC[C@@]2(C[N@@H+](Cc3ccc4c(c3)OCCO4)CC(F)(F)C2)C1=O ZINC000306132694 568894944 /nfs/dbraw/zinc/89/49/44/568894944.db2.gz LPKBEOKNQOCQRI-HXUWFJFHSA-N 1 2 410.461 2.554 40 0 HFABLO COc1ccc(C[N@@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306141354 568903082 /nfs/dbraw/zinc/90/30/82/568903082.db2.gz VSZJKGBAWHKZKO-IFMALSPDSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc(C[N@H+]2C[C@@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@@H]3C2)cc1 ZINC000306141354 568903083 /nfs/dbraw/zinc/90/30/83/568903083.db2.gz VSZJKGBAWHKZKO-IFMALSPDSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C)CC4)cc3N2)cc1 ZINC000102073611 568937110 /nfs/dbraw/zinc/93/71/10/568937110.db2.gz MSAVAZBLLNMDPI-RDJZCZTQSA-N 1 2 423.439 2.940 40 0 HFABLO OCCCNc1nc(NCc2cccnc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329022630 568973295 /nfs/dbraw/zinc/97/32/95/568973295.db2.gz OOBAENPYVXSRQJ-UHFFFAOYSA-N 1 2 419.407 2.687 40 0 HFABLO OCCCNc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000329063370 568975066 /nfs/dbraw/zinc/97/50/66/568975066.db2.gz XDNLIPCLVJPPKU-UHFFFAOYSA-N 1 2 414.307 2.551 40 0 HFABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000006544601 569333219 /nfs/dbraw/zinc/33/32/19/569333219.db2.gz DDXFERRBWKAWRG-CPNJWEJPSA-N 1 2 404.426 2.798 40 0 HFABLO C[N@H+](CC(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)Cc1ccccn1 ZINC000019704636 569347679 /nfs/dbraw/zinc/34/76/79/569347679.db2.gz QKMUCGCOLOCKMU-KRWDZBQOSA-N 1 2 423.492 2.971 40 0 HFABLO C[N@@H+](CC(=O)N1CC[C@H](c2cc(COc3ccc(F)cc3)n[nH]2)C1)Cc1ccccn1 ZINC000019704636 569347680 /nfs/dbraw/zinc/34/76/80/569347680.db2.gz QKMUCGCOLOCKMU-KRWDZBQOSA-N 1 2 423.492 2.971 40 0 HFABLO Cn1c2nnc(C[NH+]3CCC([C@H](O)c4ccccc4)CC3)n2c2ccccc2c1=O ZINC000012593620 569402012 /nfs/dbraw/zinc/40/20/12/569402012.db2.gz DWRQKUGKHZPFDO-OAQYLSRUSA-N 1 2 403.486 2.527 40 0 HFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000261365367 569413798 /nfs/dbraw/zinc/41/37/98/569413798.db2.gz RQIZYMOKQLIATL-HXUWFJFHSA-O 1 2 423.474 2.891 40 0 HFABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1OC ZINC000329014429 571306934 /nfs/dbraw/zinc/30/69/34/571306934.db2.gz MWRJJBGRROTUOW-QGZVFWFLSA-N 1 2 400.479 3.322 40 0 HFABLO Cc1ccc2occ(C[N@@H+]3CCc4nc(N5CCC[C@H](C)C5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012185133 132356155 /nfs/dbraw/zinc/35/61/55/132356155.db2.gz SVVULVXXTMIBOW-INIZCTEOSA-N 1 2 420.513 2.979 40 0 HFABLO Cc1ccc2occ(C[N@H+]3CCc4nc(N5CCC[C@H](C)C5)[nH]c(=O)c4C3)c(=O)c2c1 ZINC000012185133 132356157 /nfs/dbraw/zinc/35/61/57/132356157.db2.gz SVVULVXXTMIBOW-INIZCTEOSA-N 1 2 420.513 2.979 40 0 HFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000408558045 557455243 /nfs/dbraw/zinc/45/52/43/557455243.db2.gz IBGWMCOQIGTFJW-UHFFFAOYSA-N 1 2 417.531 2.582 40 0 HFABLO COC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc3c(c1)OCO3)C[N@@H+](C)CC2 ZINC000408574823 557478337 /nfs/dbraw/zinc/47/83/37/557478337.db2.gz LMXJGPNOGOMRFM-GQCTYLIASA-N 1 2 400.456 2.903 40 0 HFABLO COC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc3c(c1)OCO3)C[N@H+](C)CC2 ZINC000408574823 557478340 /nfs/dbraw/zinc/47/83/40/557478340.db2.gz LMXJGPNOGOMRFM-GQCTYLIASA-N 1 2 400.456 2.903 40 0 HFABLO O=C(/C=C/c1cccc(Cl)c1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000019904371 558305586 /nfs/dbraw/zinc/30/55/86/558305586.db2.gz KBESDBIDKNXNTM-SQUSKLHYSA-N 1 2 400.906 2.937 40 0 HFABLO O=C(/C=C/c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000019904373 558305639 /nfs/dbraw/zinc/30/56/39/558305639.db2.gz KBESDBIDKNXNTM-XTXLJPNXSA-N 1 2 400.906 2.937 40 0 HFABLO CCc1ccc(OCC(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000022438132 558489678 /nfs/dbraw/zinc/48/96/78/558489678.db2.gz CLKICAOEBUHBED-UHFFFAOYSA-N 1 2 413.543 2.973 40 0 HFABLO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022438315 558489746 /nfs/dbraw/zinc/48/97/46/558489746.db2.gz HOZXCOYIXAYSKV-UHFFFAOYSA-N 1 2 415.515 2.663 40 0 HFABLO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000035183278 558788953 /nfs/dbraw/zinc/78/89/53/558788953.db2.gz WQARXTUMVAKULI-GNISGLHKSA-N 1 2 400.906 2.937 40 0 HFABLO COc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)[C@@H](C)N3CCOCC3)CC2)cc1 ZINC000019079048 558838855 /nfs/dbraw/zinc/83/88/55/558838855.db2.gz HTBTWWSIZPPCPF-HYBUGGRVSA-N 1 2 423.557 2.650 40 0 HFABLO O=C(c1cc(-c2ccncc2)c2cnccc2n1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000019405593 558884886 /nfs/dbraw/zinc/88/48/86/558884886.db2.gz OFDSDXYJJYZWLC-GOSISDBHSA-N 1 2 403.486 2.629 40 0 HFABLO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)n[nH]1 ZINC000019451841 558889898 /nfs/dbraw/zinc/88/98/98/558889898.db2.gz FAMAZUJQSQWWGI-LJQANCHMSA-N 1 2 412.538 2.750 40 0 HFABLO CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)n[nH]1 ZINC000019451841 558889899 /nfs/dbraw/zinc/88/98/99/558889899.db2.gz FAMAZUJQSQWWGI-LJQANCHMSA-N 1 2 412.538 2.750 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)cc2C[C@@H]1C ZINC000019497819 558896622 /nfs/dbraw/zinc/89/66/22/558896622.db2.gz OLSLDDRRLDTFEL-KSFYIVLOSA-N 1 2 413.543 2.662 40 0 HFABLO CC(=O)N1c2ccc(S(=O)(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc2C[C@@H]1C ZINC000019497819 558896624 /nfs/dbraw/zinc/89/66/24/558896624.db2.gz OLSLDDRRLDTFEL-KSFYIVLOSA-N 1 2 413.543 2.662 40 0 HFABLO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019501112 558899019 /nfs/dbraw/zinc/89/90/19/558899019.db2.gz JVMNHALOSCFKFM-QGZVFWFLSA-N 1 2 410.518 2.865 40 0 HFABLO CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(OC)cc2)C3)C1 ZINC000019501112 558899022 /nfs/dbraw/zinc/89/90/22/558899022.db2.gz JVMNHALOSCFKFM-QGZVFWFLSA-N 1 2 410.518 2.865 40 0 HFABLO CCCCn1nc(CC(=O)N2CCCN(c3cccc[nH+]3)CC2)c2ccccc2c1=O ZINC000019502394 558899880 /nfs/dbraw/zinc/89/98/80/558899880.db2.gz OPMJEUKBEUFIKS-UHFFFAOYSA-N 1 2 419.529 2.873 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@H+](Cc1ccc(F)c(F)c1)CC3 ZINC000019550833 558915302 /nfs/dbraw/zinc/91/53/02/558915302.db2.gz UHHNTERIUFRXMJ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1ccc(F)c(F)c1)CC3 ZINC000019550833 558915304 /nfs/dbraw/zinc/91/53/04/558915304.db2.gz UHHNTERIUFRXMJ-UHFFFAOYSA-N 1 2 401.413 2.750 40 0 HFABLO COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C[NH+]3CCOCC3)CC2=O)cc1 ZINC000019556366 558918929 /nfs/dbraw/zinc/91/89/29/558918929.db2.gz SWAXMLPBVQRLHD-SFHVURJKSA-N 1 2 409.486 2.519 40 0 HFABLO COc1cccc([C@H](NC(=O)Cn2c(=O)cc(C)c3ccccc32)c2[nH+]ccn2C)c1 ZINC000019566501 558926111 /nfs/dbraw/zinc/92/61/11/558926111.db2.gz OGTAFFRIQAIMMO-QHCPKHFHSA-N 1 2 416.481 2.958 40 0 HFABLO COCCOc1cccc(C[N@@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370870 558957447 /nfs/dbraw/zinc/95/74/47/558957447.db2.gz NEEYBWDTOMJUTR-OAQYLSRUSA-N 1 2 421.501 2.720 40 0 HFABLO COCCOc1cccc(C[N@H+]2CCO[C@@H](c3ncncc3-c3ccnc(N)c3)C2)c1 ZINC000072370870 558957449 /nfs/dbraw/zinc/95/74/49/558957449.db2.gz NEEYBWDTOMJUTR-OAQYLSRUSA-N 1 2 421.501 2.720 40 0 HFABLO CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1 ZINC000072379244 558968051 /nfs/dbraw/zinc/96/80/51/558968051.db2.gz QLYUJVBLHHQMRZ-MRXNPFEDSA-N 1 2 414.535 2.693 40 0 HFABLO C[NH+]1CCN(C(=O)c2ccc([C@H]3CCCN3C(=O)CCc3ccc(F)cc3)nc2)CC1 ZINC000019708771 558971179 /nfs/dbraw/zinc/97/11/79/558971179.db2.gz KTHFDXMRAZKCBX-JOCHJYFZSA-N 1 2 424.520 2.905 40 0 HFABLO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[N@H+](C)CC2 ZINC000019710888 558973150 /nfs/dbraw/zinc/97/31/50/558973150.db2.gz PCQJHUFZVLZXSN-INIZCTEOSA-N 1 2 421.954 2.685 40 0 HFABLO CNc1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc2c1C[N@@H+](C)CC2 ZINC000019710888 558973152 /nfs/dbraw/zinc/97/31/52/558973152.db2.gz PCQJHUFZVLZXSN-INIZCTEOSA-N 1 2 421.954 2.685 40 0 HFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399131 558976670 /nfs/dbraw/zinc/97/66/70/558976670.db2.gz NXFGXNINQRZKCK-SYNHAJSKSA-N 1 2 422.529 2.721 40 0 HFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c([C@H]4CCN(C(=O)[C@H]5C[C@H]5C)C4)nc3C2)cc1 ZINC000072399131 558976673 /nfs/dbraw/zinc/97/66/73/558976673.db2.gz NXFGXNINQRZKCK-SYNHAJSKSA-N 1 2 422.529 2.721 40 0 HFABLO Cc1noc(C)c1C(=O)N1C[C@@]2(C[C@H]1c1cn(C)c[nH+]1)CCCN(CC1CC1)C2=O ZINC000585106462 559028784 /nfs/dbraw/zinc/02/87/84/559028784.db2.gz OAUOKMPNUZDLMR-AVRDEDQJSA-N 1 2 411.506 2.631 40 0 HFABLO Cc1noc(C)c1C(=O)N1C[C@]2(C[C@H]1c1cn(C)c[nH+]1)CCCN(CC1CC1)C2=O ZINC000585106464 559028817 /nfs/dbraw/zinc/02/88/17/559028817.db2.gz OAUOKMPNUZDLMR-PGRDOPGGSA-N 1 2 411.506 2.631 40 0 HFABLO O=C(c1ccc2[nH]ccc2c1)N1CCc2[nH+]c(N3CCOCC3)nc(NC3CC3)c2C1 ZINC000096254148 559105730 /nfs/dbraw/zinc/10/57/30/559105730.db2.gz ITGDFQGTWLAKAT-UHFFFAOYSA-N 1 2 418.501 2.567 40 0 HFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CC[N@@H+]2C)c1 ZINC000585261935 559109514 /nfs/dbraw/zinc/10/95/14/559109514.db2.gz ZUGDENOWOGOZDN-JOCHJYFZSA-N 1 2 421.541 2.610 40 0 HFABLO CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccccc4)CCOCC3)CC[N@H+]2C)c1 ZINC000585261935 559109515 /nfs/dbraw/zinc/10/95/15/559109515.db2.gz ZUGDENOWOGOZDN-JOCHJYFZSA-N 1 2 421.541 2.610 40 0 HFABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(Cl)cc1)CC2 ZINC000257208004 559282605 /nfs/dbraw/zinc/28/26/05/559282605.db2.gz BKGQJHYTVHOBBM-UHFFFAOYSA-N 1 2 413.971 2.805 40 0 HFABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cnn(C)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288992 560033484 /nfs/dbraw/zinc/03/34/84/560033484.db2.gz DUDWDQWWJIWECE-GGAORHGYSA-N 1 2 418.497 2.813 40 0 biogenic,in-vitro HFABLO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cnn(C)c4)C[C@H]2N(C)C3=O)c1 ZINC000514288992 560033485 /nfs/dbraw/zinc/03/34/85/560033485.db2.gz DUDWDQWWJIWECE-GGAORHGYSA-N 1 2 418.497 2.813 40 0 biogenic,in-vitro HFABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(C)CC1 ZINC000004212378 560603769 /nfs/dbraw/zinc/60/37/69/560603769.db2.gz YZDDTQSMESGFJC-FQEVSTJZSA-N 1 2 410.522 2.599 40 0 HFABLO Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC000409410535 560721337 /nfs/dbraw/zinc/72/13/37/560721337.db2.gz XXVUNCQFJHNFQW-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(CC)C(=O)[C@H]21 ZINC000020150861 560881739 /nfs/dbraw/zinc/88/17/39/560881739.db2.gz OSEWGOBECXGGEX-FBROZUCGSA-N 1 2 420.509 2.805 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057643924 568494315 /nfs/dbraw/zinc/49/43/15/568494315.db2.gz SKODQGFDCJDGPY-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000057643924 568494317 /nfs/dbraw/zinc/49/43/17/568494317.db2.gz SKODQGFDCJDGPY-IBGZPJMESA-N 1 2 412.538 2.914 40 0 HFABLO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057670535 568494704 /nfs/dbraw/zinc/49/47/04/568494704.db2.gz WORUOBPOPYDIRD-WOJBJXKFSA-N 1 2 402.518 2.901 40 0 HFABLO CCOc1cc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742431 568495572 /nfs/dbraw/zinc/49/55/72/568495572.db2.gz LIAAQXYSJKNKNS-UHFFFAOYSA-N 1 2 422.485 2.572 40 0 HFABLO CCOc1cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)ccc1OCCO ZINC000057742431 568495573 /nfs/dbraw/zinc/49/55/73/568495573.db2.gz LIAAQXYSJKNKNS-UHFFFAOYSA-N 1 2 422.485 2.572 40 0 HFABLO Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCn3cc[nH+]c3)c2)c1 ZINC000224141473 568571352 /nfs/dbraw/zinc/57/13/52/568571352.db2.gz SAVYTDXCMHXFFG-UHFFFAOYSA-N 1 2 412.515 2.837 40 0 HFABLO Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c(C)c1 ZINC000224846829 568599938 /nfs/dbraw/zinc/59/99/38/568599938.db2.gz RFBNSKSJOUZYOJ-UHFFFAOYSA-N 1 2 401.532 2.800 40 0 HFABLO COc1ccc(OCCc2cc([C@H]3C[N@H+](Cc4cn(C)nc4C)CCO3)[nH]n2)cc1 ZINC000257309767 568807338 /nfs/dbraw/zinc/80/73/38/568807338.db2.gz UCHWCOKSDTVQLF-JOCHJYFZSA-N 1 2 411.506 2.655 40 0 HFABLO COc1ccc(OCCc2cc([C@H]3C[N@@H+](Cc4cn(C)nc4C)CCO3)[nH]n2)cc1 ZINC000257309767 568807340 /nfs/dbraw/zinc/80/73/40/568807340.db2.gz UCHWCOKSDTVQLF-JOCHJYFZSA-N 1 2 411.506 2.655 40 0 HFABLO Cn1c(CCC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)nc2cc(Cl)ccc21 ZINC000257322369 568811294 /nfs/dbraw/zinc/81/12/94/568811294.db2.gz WFSFHEMWKKSALQ-WIBUTAKZSA-N 1 2 401.898 2.627 40 0 HFABLO COc1cccc(C[N@@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306126412 568889431 /nfs/dbraw/zinc/88/94/31/568889431.db2.gz DUVSHWUDYLWTHN-UNMCSNQZSA-N 1 2 409.511 2.851 40 0 HFABLO COc1cccc(C[N@H+]2C[C@H]3c4cc(-c5cnn(C)c5)ccc4S(=O)(=O)[C@H]3C2)c1 ZINC000306126412 568889432 /nfs/dbraw/zinc/88/94/32/568889432.db2.gz DUVSHWUDYLWTHN-UNMCSNQZSA-N 1 2 409.511 2.851 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccccn3)C[C@H]1S2(=O)=O ZINC000306134827 568896785 /nfs/dbraw/zinc/89/67/85/568896785.db2.gz NZCJYLPSARSGMI-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccccn3)C[C@H]1S2(=O)=O ZINC000306134827 568896788 /nfs/dbraw/zinc/89/67/88/568896788.db2.gz NZCJYLPSARSGMI-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 ZINC000306136690 568898679 /nfs/dbraw/zinc/89/86/79/568898679.db2.gz QAGBUQRXBBLMNZ-OAQYLSRUSA-N 1 2 405.481 2.758 40 0 HFABLO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3nnn4cc(-c5cccc(F)c5)ccc34)C2)cn1 ZINC000306136690 568898682 /nfs/dbraw/zinc/89/86/82/568898682.db2.gz QAGBUQRXBBLMNZ-OAQYLSRUSA-N 1 2 405.481 2.758 40 0 HFABLO Cc1ccccc1CC(=O)N1C[C@@H](c2cn(C)c[nH+]2)[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC000306140516 568902252 /nfs/dbraw/zinc/90/22/52/568902252.db2.gz UVZOVSXDTUAXJC-GBXCKJPGSA-N 1 2 406.530 2.526 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@H+](Cc3ccncc3)C[C@H]1S2(=O)=O ZINC000306142160 568903669 /nfs/dbraw/zinc/90/36/69/568903669.db2.gz WRQCDFZSJRLFIT-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO COc1ncccc1-c1ccc2c(c1)[C@H]1C[N@@H+](Cc3ccncc3)C[C@H]1S2(=O)=O ZINC000306142160 568903672 /nfs/dbraw/zinc/90/36/72/568903672.db2.gz WRQCDFZSJRLFIT-TZIWHRDSSA-N 1 2 407.495 2.908 40 0 HFABLO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142391 568904039 /nfs/dbraw/zinc/90/40/39/568904039.db2.gz WYIKXAFWLUHEDH-IEBWSBKVSA-N 1 2 416.440 2.861 40 0 HFABLO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccccc1OC(F)(F)F)CCO2 ZINC000306142391 568904040 /nfs/dbraw/zinc/90/40/40/568904040.db2.gz WYIKXAFWLUHEDH-IEBWSBKVSA-N 1 2 416.440 2.861 40 0 HFABLO O=C(NCCc1c[nH+]c[nH]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101493775 569013661 /nfs/dbraw/zinc/01/36/61/569013661.db2.gz MYLVTZNJYAHIHL-GASCZTMLSA-N 1 2 424.954 2.507 40 0 HFABLO O=C(NCCc1c[nH]c[nH+]1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101493775 569013662 /nfs/dbraw/zinc/01/36/62/569013662.db2.gz MYLVTZNJYAHIHL-GASCZTMLSA-N 1 2 424.954 2.507 40 0 HFABLO CC[C@@H](Oc1ccccc1OC)C(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000008481237 569341655 /nfs/dbraw/zinc/34/16/55/569341655.db2.gz ONKTXMBMQQYGFO-GOSISDBHSA-N 1 2 412.486 2.926 40 0 HFABLO COc1ccc(CNC(=O)[C@H]2C[N@H+](Cc3cnc(C)s3)Cc3cn(C)nc32)cc1 ZINC000019701537 569347357 /nfs/dbraw/zinc/34/73/57/569347357.db2.gz PTLIAWVLFXADLC-IBGZPJMESA-N 1 2 411.531 2.609 40 0 HFABLO COc1ccc(CNC(=O)[C@H]2C[N@@H+](Cc3cnc(C)s3)Cc3cn(C)nc32)cc1 ZINC000019701537 569347358 /nfs/dbraw/zinc/34/73/58/569347358.db2.gz PTLIAWVLFXADLC-IBGZPJMESA-N 1 2 411.531 2.609 40 0 HFABLO