smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]ccn1Cc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000019288249 210237706 /nfs/dbraw/zinc/23/77/06/210237706.db2.gz OUKUZOPROIQXER-UHFFFAOYSA-N 1 1 388.496 4.539 40 0 GJABMO COc1ccc(C[N@@H+](CC2CCCCC2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120627 210227021 /nfs/dbraw/zinc/22/70/21/210227021.db2.gz STOCVJGYOJDSQH-ZJSXRUAMSA-N 1 1 398.547 4.632 40 0 GJABMO Cc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@H+](C[C@@H](C)c4ccccc4)C3)cc2n1 ZINC000019117063 210226104 /nfs/dbraw/zinc/22/61/04/210226104.db2.gz ZPDKWPRAMQISSF-RHSMWYFYSA-N 1 1 388.437 4.650 40 0 GJABMO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306141299 212055785 /nfs/dbraw/zinc/05/57/85/212055785.db2.gz VRDBXMBMXSXKJT-HSZRJFAPSA-N 1 1 396.494 4.611 40 0 GJABMO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306135689 212051554 /nfs/dbraw/zinc/05/15/54/212051554.db2.gz OXXDVTNPSCWADQ-GOSISDBHSA-N 1 1 376.435 4.508 40 0 GJABMO CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289058 204148760 /nfs/dbraw/zinc/14/87/60/204148760.db2.gz CDLIFSLWWPCFIG-SEJPIABJSA-N 1 1 379.573 4.731 40 0 GJABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2 ZINC000035290522 204152807 /nfs/dbraw/zinc/15/28/07/204152807.db2.gz AYDUUQGPJPCWSS-YQQQUEKLSA-N 1 1 398.934 4.664 40 0 GJABMO CCN1CC2(CCC([N@@H+](C)CC3=CCCCC3)CC2)Oc2ccccc2C1=O ZINC000257238305 212008266 /nfs/dbraw/zinc/00/82/66/212008266.db2.gz HKKAJDULTAULRW-UHFFFAOYSA-N 1 1 382.548 4.655 40 0 GJABMO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)nc(C(C)C)[nH+]1)CC2 ZINC000329030757 209157797 /nfs/dbraw/zinc/15/77/97/209157797.db2.gz QGFLOQARUYDCKQ-UHFFFAOYSA-N 1 1 396.535 4.534 40 0 GJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019400463 204641415 /nfs/dbraw/zinc/64/14/15/204641415.db2.gz ANZNQKFCIDZDIG-WRALFONMSA-N 1 1 395.591 4.888 40 0 GJABMO CC(C)(C)c1n[nH]cc1C[N@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000036740308 205021322 /nfs/dbraw/zinc/02/13/22/205021322.db2.gz KHLZGILNSQZKHK-UHFFFAOYSA-N 1 1 385.943 4.650 40 0 GJABMO CC(C)(C)c1n[nH]cc1C[N@@H+](CCCn1ccnc1)Cc1ccccc1Cl ZINC000036740308 205021328 /nfs/dbraw/zinc/02/13/28/205021328.db2.gz KHLZGILNSQZKHK-UHFFFAOYSA-N 1 1 385.943 4.650 40 0 GJABMO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038834192 205038157 /nfs/dbraw/zinc/03/81/57/205038157.db2.gz SUSIBKILCNAXIR-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038835022 205038643 /nfs/dbraw/zinc/03/86/43/205038643.db2.gz OFBHPVSDSYDYFY-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834231 205038942 /nfs/dbraw/zinc/03/89/42/205038942.db2.gz AQUIIUDFYLWCNA-CQSZACIVSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834231 205038947 /nfs/dbraw/zinc/03/89/47/205038947.db2.gz AQUIIUDFYLWCNA-CQSZACIVSA-N 1 1 393.314 4.853 40 0 GJABMO CCCc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000224335160 206019906 /nfs/dbraw/zinc/01/99/06/206019906.db2.gz OFYNIROKHBOXFR-HXUWFJFHSA-N 1 1 394.559 4.680 40 0 GJABMO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224540201 206022651 /nfs/dbraw/zinc/02/26/51/206022651.db2.gz ZIQFQTMZOWTFHH-UHFFFAOYSA-N 1 1 381.347 4.822 40 0 GJABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578896 206058476 /nfs/dbraw/zinc/05/84/76/206058476.db2.gz VXSNSISKMVITIY-UHFFFAOYSA-N 1 1 382.813 4.608 40 0 GJABMO CNc1ncccc1C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccc(OC)c2)nc1 ZINC000257265406 206169543 /nfs/dbraw/zinc/16/95/43/206169543.db2.gz LYNOIYJEZKLZLU-HSZRJFAPSA-N 1 1 388.515 4.921 40 0 GJABMO c1ccc(CN2C[C@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1 ZINC000096245623 211324833 /nfs/dbraw/zinc/32/48/33/211324833.db2.gz JIYGBLYRRARIFK-UIOOFZCWSA-N 1 1 382.551 4.882 40 0 GJABMO O=C(OCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000079438705 211156771 /nfs/dbraw/zinc/15/67/71/211156771.db2.gz PBVXAIKUVNEOID-KRWDZBQOSA-N 1 1 378.299 4.949 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1 ZINC000020460230 210338346 /nfs/dbraw/zinc/33/83/46/210338346.db2.gz KYBCWDDFXRBYCG-UHFFFAOYSA-N 1 1 397.478 4.690 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000020035451 210312531 /nfs/dbraw/zinc/31/25/31/210312531.db2.gz RKFDVEKPGUVLES-INIZCTEOSA-N 1 1 397.906 4.535 40 0 GJABMO CCn1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C ZINC000019692032 210282153 /nfs/dbraw/zinc/28/21/53/210282153.db2.gz RTLRNADRQNFLRK-DEOSSOPVSA-N 1 1 392.522 4.982 40 0 GJABMO CN(C)c1ncc(-c2ccccc2)c([C@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019690453 210281889 /nfs/dbraw/zinc/28/18/89/210281889.db2.gz VKEBVCPKHRSTFR-OAQYLSRUSA-N 1 1 376.479 4.686 40 0 GJABMO Cc1ccc2occ(C[N@@H+](CCCn3ccnc3)C[C@@H]3CC=CCC3)c(=O)c2c1 ZINC000019219769 524099715 /nfs/dbraw/zinc/09/97/15/524099715.db2.gz KAMYGRNFWDDCEJ-HXUWFJFHSA-N 1 1 391.515 4.547 40 0 GJABMO CC1=C[C@@H](C[NH2+]C2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 ZINC000072320871 560077899 /nfs/dbraw/zinc/07/78/99/560077899.db2.gz YFRUYZUHWJOFME-WFXMLNOXSA-N 1 1 399.554 4.868 40 0 biogenic,in-vitro GJABMO c1cc(-c2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCCCC4)n3)cn2)ccn1 ZINC000049155478 560083882 /nfs/dbraw/zinc/08/38/82/560083882.db2.gz RIJJMRBBPUNKOA-FQEVSTJZSA-N 1 1 375.476 4.663 40 0 biogenic,in-vitro GJABMO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329012029 570212236 /nfs/dbraw/zinc/21/22/36/570212236.db2.gz MHDZIPOSRPCSDE-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C2CC2)n1 ZINC000329012029 570212241 /nfs/dbraw/zinc/21/22/41/570212241.db2.gz MHDZIPOSRPCSDE-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020450313 570256981 /nfs/dbraw/zinc/25/69/81/570256981.db2.gz WCHKNYQSWQMNRM-QGZVFWFLSA-N 1 1 394.515 4.656 40 0 GJABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000216463521 570302009 /nfs/dbraw/zinc/30/20/09/570302009.db2.gz TWYOXYUIWIIMBY-PKOBYXMFSA-N 1 1 383.001 4.982 40 0 GJABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227826 570319140 /nfs/dbraw/zinc/31/91/40/570319140.db2.gz CNRKGSCIISQDGE-UONOGXRCSA-N 1 1 376.070 4.715 40 0 GJABMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1(c2ccccc2)CC1 ZINC000023239292 570351838 /nfs/dbraw/zinc/35/18/38/570351838.db2.gz YJDONNCJVSUTAN-UHFFFAOYSA-N 1 1 396.534 4.652 40 0 GJABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2 ZINC000004888143 570415796 /nfs/dbraw/zinc/41/57/96/570415796.db2.gz UMDZBEWZACIENJ-SEJPIABJSA-N 1 1 398.934 4.664 40 0 GJABMO Cc1cc2nc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4)CC3)[nH]c2cc1C ZINC000004966435 570420128 /nfs/dbraw/zinc/42/01/28/570420128.db2.gz LSLSUQXJGGKBGR-UHFFFAOYSA-N 1 1 396.922 4.651 40 0 GJABMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000005644252 570449831 /nfs/dbraw/zinc/44/98/31/570449831.db2.gz AIFLWWIOTGQKEO-UHFFFAOYSA-N 1 1 385.939 4.858 40 0 GJABMO Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1C ZINC000035289091 570453114 /nfs/dbraw/zinc/45/31/14/570453114.db2.gz OUXIEXJJIIGFEV-FRIKZZABSA-N 1 1 379.573 4.785 40 0 GJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2Cl)C3)cc1 ZINC000035290323 570456885 /nfs/dbraw/zinc/45/68/85/570456885.db2.gz HZPRGEINJCDXIX-IHWFROFDSA-N 1 1 382.935 4.964 40 0 GJABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030850711 570498327 /nfs/dbraw/zinc/49/83/27/570498327.db2.gz FGCKNNNGFULVSJ-JTDSTZFVSA-N 1 1 383.001 4.695 40 0 GJABMO CC(C)Oc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000030940310 570501493 /nfs/dbraw/zinc/50/14/93/570501493.db2.gz AHUZJSCLJCATHV-GOSISDBHSA-N 1 1 386.923 4.978 40 0 GJABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000008373858 570530145 /nfs/dbraw/zinc/53/01/45/570530145.db2.gz FRQFIZCURAUTLP-UHFFFAOYSA-N 1 1 397.346 4.622 40 0 GJABMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848585 570586966 /nfs/dbraw/zinc/58/69/66/570586966.db2.gz MWRQPCGCNXHADX-QGZVFWFLSA-N 1 1 377.315 4.522 40 0 GJABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225607509 570593141 /nfs/dbraw/zinc/59/31/41/570593141.db2.gz BZNMRHAHOPRWJI-XXBNENTESA-N 1 1 390.568 4.577 40 0 GJABMO COc1ccc2cc(CNc3ccc([N@H+](C)C4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088329 570606767 /nfs/dbraw/zinc/60/67/67/570606767.db2.gz ATSSKBZKWUZDQM-UHFFFAOYSA-N 1 1 391.515 4.918 40 0 GJABMO COc1ccc2cc(CNc3ccc([N@@H+](C)C4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000012088329 570606770 /nfs/dbraw/zinc/60/67/70/570606770.db2.gz ATSSKBZKWUZDQM-UHFFFAOYSA-N 1 1 391.515 4.918 40 0 GJABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225738619 570611549 /nfs/dbraw/zinc/61/15/49/570611549.db2.gz SEYDJNUIEGQQLF-XXBNENTESA-N 1 1 390.568 4.721 40 0 GJABMO CCOc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044851487 570636150 /nfs/dbraw/zinc/63/61/50/570636150.db2.gz OFFKUVOQABXPAV-HXUWFJFHSA-N 1 1 394.559 4.680 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000044900754 570640299 /nfs/dbraw/zinc/64/02/99/570640299.db2.gz DXEJEGBKOYUTMN-AWEZNQCLSA-N 1 1 385.920 4.631 40 0 GJABMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000004966468 570653826 /nfs/dbraw/zinc/65/38/26/570653826.db2.gz BQLXBUJJIOABAL-UHFFFAOYSA-N 1 1 379.529 4.677 40 0 GJABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814456 570707793 /nfs/dbraw/zinc/70/77/93/570707793.db2.gz IMMUUUFMRMEUBZ-AUSIDOKSSA-N 1 1 390.568 4.720 40 0 GJABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816739 570707841 /nfs/dbraw/zinc/70/78/41/570707841.db2.gz PHJVMOVURMATTA-WMZHIEFXSA-N 1 1 390.568 4.721 40 0 GJABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816755 570707909 /nfs/dbraw/zinc/70/79/09/570707909.db2.gz PSZQRTNFQCNAJS-AUSIDOKSSA-N 1 1 390.568 4.864 40 0 GJABMO C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991943 570868933 /nfs/dbraw/zinc/86/89/33/570868933.db2.gz IZIWBPAAHSPDMZ-QGZVFWFLSA-N 1 1 393.458 4.604 40 0 GJABMO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000019454626 570925729 /nfs/dbraw/zinc/92/57/29/570925729.db2.gz TYYIDXYYJUXZQL-SFHVURJKSA-N 1 1 397.548 4.519 40 0 GJABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019210325 570960511 /nfs/dbraw/zinc/96/05/11/570960511.db2.gz LLQNTDXASJLBID-YPAWHYETSA-N 1 1 396.600 4.919 40 0 GJABMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1 ZINC000019235049 570965458 /nfs/dbraw/zinc/96/54/58/570965458.db2.gz QEFKEMMGFCXPQK-YPAWHYETSA-N 1 1 396.600 4.919 40 0 GJABMO Oc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000019330831 570975070 /nfs/dbraw/zinc/97/50/70/570975070.db2.gz ZABXKYDTQGQLNQ-HXUWFJFHSA-N 1 1 392.455 4.893 40 0 GJABMO Oc1cccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1 ZINC000019330831 570975074 /nfs/dbraw/zinc/97/50/74/570975074.db2.gz ZABXKYDTQGQLNQ-HXUWFJFHSA-N 1 1 392.455 4.893 40 0 GJABMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000019454745 570986705 /nfs/dbraw/zinc/98/67/05/570986705.db2.gz STFGYUGOXOIRGT-HSZRJFAPSA-N 1 1 381.495 4.630 40 0 GJABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564341 571006964 /nfs/dbraw/zinc/00/69/64/571006964.db2.gz ZMLZADDVPYSEKB-CQSZACIVSA-N 1 1 375.394 4.988 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)on2)cc1 ZINC000019583840 571014610 /nfs/dbraw/zinc/01/46/10/571014610.db2.gz IRGQQARKYWSAIN-NRFANRHFSA-N 1 1 380.492 4.509 40 0 GJABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1 ZINC000019555686 210260530 /nfs/dbraw/zinc/26/05/30/210260530.db2.gz CMBASWYUTDDPFA-RBUKOAKNSA-N 1 1 383.442 4.739 40 0 GJABMO Fc1ccc2nc(C[N@@H+](CCCn3ccnc3)Cc3ccccc3F)ccc2c1 ZINC000019348699 210243654 /nfs/dbraw/zinc/24/36/54/210243654.db2.gz MYSMPHUFMDCRIN-UHFFFAOYSA-N 1 1 392.453 4.802 40 0 GJABMO Fc1ccc2nc(C[N@H+](CCCn3ccnc3)Cc3ccccc3F)ccc2c1 ZINC000019348699 210243652 /nfs/dbraw/zinc/24/36/52/210243652.db2.gz MYSMPHUFMDCRIN-UHFFFAOYSA-N 1 1 392.453 4.802 40 0 GJABMO Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](C4CCCC4)C[C@@H]32)c1 ZINC000019235241 210232406 /nfs/dbraw/zinc/23/24/06/210232406.db2.gz XQPZGVQMZXPHAJ-WXFUMESZSA-N 1 1 380.576 4.744 40 0 GJABMO Cc1ccc(C(=O)N2CCC[C@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)s1 ZINC000306136868 212051090 /nfs/dbraw/zinc/05/10/90/212051090.db2.gz QFHUTEIZBMAZLZ-IBGZPJMESA-N 1 1 388.496 4.744 40 0 GJABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[N@@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000257353592 212029321 /nfs/dbraw/zinc/02/93/21/212029321.db2.gz RZVKAWNUVBFUSF-CNPJFBIHSA-N 1 1 375.528 4.865 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 ZINC000004887956 204086474 /nfs/dbraw/zinc/08/64/74/204086474.db2.gz SYUIHYHJOHTQHB-YQQQUEKLSA-N 1 1 397.494 4.542 40 0 GJABMO CC1(C)Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000329069430 209158703 /nfs/dbraw/zinc/15/87/03/209158703.db2.gz YXVJCBSGYGHWIR-UHFFFAOYSA-N 1 1 376.548 4.862 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000019933231 204693125 /nfs/dbraw/zinc/69/31/25/204693125.db2.gz XPOQXNRCBLMFDZ-UHFFFAOYSA-N 1 1 375.516 4.727 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccccc2Cl)cc1 ZINC000038837484 205039800 /nfs/dbraw/zinc/03/98/00/205039800.db2.gz NBRIAYHJSHPLTC-UHFFFAOYSA-N 1 1 399.947 4.556 40 0 GJABMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849230 205041226 /nfs/dbraw/zinc/04/12/26/205041226.db2.gz DTSBYNSFOYZLHY-CQSZACIVSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849230 205041229 /nfs/dbraw/zinc/04/12/29/205041229.db2.gz DTSBYNSFOYZLHY-CQSZACIVSA-N 1 1 381.278 4.983 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 ZINC000038833964 205038993 /nfs/dbraw/zinc/03/89/93/205038993.db2.gz RMPAKOIEQZXBLS-OAHLLOKOSA-N 1 1 387.321 4.933 40 0 GJABMO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044786466 205086655 /nfs/dbraw/zinc/08/66/55/205086655.db2.gz XKLMVFKRJGUZHK-CYBMUJFWSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000044786466 205086660 /nfs/dbraw/zinc/08/66/60/205086660.db2.gz XKLMVFKRJGUZHK-CYBMUJFWSA-N 1 1 381.278 4.983 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 ZINC000044906425 205089409 /nfs/dbraw/zinc/08/94/09/205089409.db2.gz VYLOVHXSZYCOQU-GOSISDBHSA-N 1 1 384.951 4.935 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072350247 205331004 /nfs/dbraw/zinc/33/10/04/205331004.db2.gz XRHLSGNBKNKUIV-SFHVURJKSA-N 1 1 376.479 4.620 40 0 GJABMO C[C@H](C[N@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000072352779 205332533 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4.713 40 0 GJABMO O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627722 136187537 /nfs/dbraw/zinc/18/75/37/136187537.db2.gz CTXWOLKSSSAIKI-HXUWFJFHSA-N 1 1 395.522 4.667 40 0 GJABMO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613645 534680379 /nfs/dbraw/zinc/68/03/79/534680379.db2.gz ZFPZBIHMXUNCIZ-RUZDIDTESA-N 1 1 382.507 4.626 40 0 GJABMO Cc1ccccc1C[N@H+]1CCC[C@H]1c1nc(-c2ccc(-c3ccncc3)nc2)no1 ZINC000049155504 560083918 /nfs/dbraw/zinc/08/39/18/560083918.db2.gz YZEAHHDWVZXFLL-QFIPXVFZSA-N 1 1 397.482 4.839 40 0 biogenic,in-vitro GJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000005217462 570250410 /nfs/dbraw/zinc/25/04/10/570250410.db2.gz NSRJWEIWAMQCKX-QDSKXPNFSA-N 1 1 399.506 4.711 40 0 GJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375730 570340216 /nfs/dbraw/zinc/34/02/16/570340216.db2.gz IVISQLDUXOXMJM-SFHVURJKSA-N 1 1 380.517 4.936 40 0 GJABMO Cc1cccc(Nc2cncc([C@@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)n2)n1 ZINC000072376421 570340467 /nfs/dbraw/zinc/34/04/67/570340467.db2.gz MAIZTOAYVHTJRP-QFIPXVFZSA-N 1 1 398.514 4.752 40 0 GJABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242490 570452237 /nfs/dbraw/zinc/45/22/37/570452237.db2.gz APEXTNAXSUPPOK-VGOFRKELSA-N 1 1 396.962 4.918 40 0 GJABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C2CCCCC2)cc1 ZINC000035310752 570465612 /nfs/dbraw/zinc/46/56/12/570465612.db2.gz PEFKMGWGCHBOKS-CTXDPNEZSA-N 1 1 375.557 4.830 40 0 GJABMO Cc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000223487935 570468457 /nfs/dbraw/zinc/46/84/57/570468457.db2.gz SIRJPPKBGNFVKI-TZIWHRDSSA-N 1 1 382.523 4.840 40 0 GJABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260457994 570492321 /nfs/dbraw/zinc/49/23/21/570492321.db2.gz HIKUCQBJKAFRKW-GGAORHGYSA-N 1 1 382.548 4.768 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCc2cccc3ccccc32)cc1 ZINC000225299624 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CC(C)(C)Nc1c([C@H]2CCCN(C(=O)c3ccccc3F)C2)[nH+]c2ccccn21 ZINC000012088125 570606821 /nfs/dbraw/zinc/60/68/21/570606821.db2.gz RGEKCFUGMWEROF-INIZCTEOSA-N 1 1 394.494 4.704 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2cc3c(cc21)CCCC3 ZINC000225825653 570622211 /nfs/dbraw/zinc/62/22/11/570622211.db2.gz NOFPHUKHAYJMPK-UHFFFAOYSA-N 1 1 379.475 4.705 40 0 GJABMO Clc1ccc2[nH+]c(-c3ccccc3)c(NCc3ccc4c(c3)OCO4)n2c1 ZINC000004848474 570634841 /nfs/dbraw/zinc/63/48/41/570634841.db2.gz GYFZSBLYJGZJCW-UHFFFAOYSA-N 1 1 377.831 4.996 40 0 GJABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000004888067 570642517 /nfs/dbraw/zinc/64/25/17/570642517.db2.gz SBHWBLBEOKBHTA-AYHJJNSGSA-N 1 1 389.565 4.759 40 0 GJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000004887928 570642524 /nfs/dbraw/zinc/64/25/24/570642524.db2.gz QZMAMTKUYJEXDN-XSNACQMZSA-N 1 1 392.587 4.905 40 0 GJABMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625541 570665500 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GJABMO COc1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450768 570985138 /nfs/dbraw/zinc/98/51/38/570985138.db2.gz XACCGWRZEZBWIL-IBGZPJMESA-N 1 1 379.504 4.738 40 0 GJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019522020 570994956 /nfs/dbraw/zinc/99/49/56/570994956.db2.gz MTXQUXRIBWFQOP-AWEZNQCLSA-N 1 1 390.409 4.579 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cn(C)nc3C)no2)cc1 ZINC000019583861 571014753 /nfs/dbraw/zinc/01/47/53/571014753.db2.gz HFRXJQLKCAOMKN-OAQYLSRUSA-N 1 1 380.492 4.509 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)no2)cc1 ZINC000019583861 571014755 /nfs/dbraw/zinc/01/47/55/571014755.db2.gz HFRXJQLKCAOMKN-OAQYLSRUSA-N 1 1 380.492 4.509 40 0 GJABMO COc1ccc2c(c1)OCC(C[N@H+](Cc1ccccc1)Cc1cccc(C)n1)=C2 ZINC000019717455 571040189 /nfs/dbraw/zinc/04/01/89/571040189.db2.gz QBKKXOKVIQPNPY-UHFFFAOYSA-N 1 1 386.495 4.877 40 0 GJABMO COc1ccc2c(c1)OCC(C[N@@H+](Cc1ccccc1)Cc1cccc(C)n1)=C2 ZINC000019717455 571040194 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/nfs/dbraw/zinc/15/91/76/209159176.db2.gz XJHVFRIRNNWCIK-UHFFFAOYSA-N 1 1 378.520 4.670 40 0 GJABMO COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CC[N@H+](C4CCCCC4)C[C@@H]23)c1 ZINC000019081672 204624397 /nfs/dbraw/zinc/62/43/97/204624397.db2.gz WDKGHBRFMTVZLN-VABKMULXSA-N 1 1 398.591 4.690 40 0 GJABMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832779 205039161 /nfs/dbraw/zinc/03/91/61/205039161.db2.gz HZIBEUSJBDGXEP-MRXNPFEDSA-N 1 1 377.315 4.522 40 0 GJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2ccccc2F)o1 ZINC000043277765 205083528 /nfs/dbraw/zinc/08/35/28/205083528.db2.gz HXAQIFKFGNBISD-UHFFFAOYSA-N 1 1 392.478 4.807 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350263 205330395 /nfs/dbraw/zinc/33/03/95/205330395.db2.gz HIDBSNPKYLCCFO-IBGZPJMESA-N 1 1 390.506 4.628 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cn1 ZINC000072356234 205331981 /nfs/dbraw/zinc/33/19/81/205331981.db2.gz JQWMRAXKIMYYOE-HSZRJFAPSA-N 1 1 386.543 4.713 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 ZINC000072358221 205333735 /nfs/dbraw/zinc/33/37/35/205333735.db2.gz GMWHFZKWYVERJX-QFIPXVFZSA-N 1 1 376.479 4.585 40 0 GJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358107 205334275 /nfs/dbraw/zinc/33/42/75/205334275.db2.gz BHLVVDLWZGGNKP-VWLOTQADSA-N 1 1 385.511 4.968 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359291 205334554 /nfs/dbraw/zinc/33/45/54/205334554.db2.gz GLKFDMGMXYOLFN-FQEVSTJZSA-N 1 1 389.499 4.540 40 0 GJABMO C[NH+]1CCC2(CC1)CN(Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1O2 ZINC000072394178 205344162 /nfs/dbraw/zinc/34/41/62/205344162.db2.gz ODURIFQANZQLJD-UHFFFAOYSA-N 1 1 390.449 4.564 40 0 GJABMO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224546131 206022520 /nfs/dbraw/zinc/02/25/20/206022520.db2.gz WCDSVEGRXPPGGM-UHFFFAOYSA-N 1 1 383.363 4.902 40 0 GJABMO Cc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588871 206059599 /nfs/dbraw/zinc/05/95/99/206059599.db2.gz SEXIABMRXNLMCN-INIZCTEOSA-N 1 1 388.914 4.877 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257320993 206177609 /nfs/dbraw/zinc/17/76/09/206177609.db2.gz VZQKIPKYPXYBCQ-SFHVURJKSA-N 1 1 386.499 4.899 40 0 GJABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)no1 ZINC000257335682 206181654 /nfs/dbraw/zinc/18/16/54/206181654.db2.gz YLJUVGVGDQPOKK-FQEVSTJZSA-N 1 1 395.547 4.549 40 0 GJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000072372576 211102448 /nfs/dbraw/zinc/10/24/48/211102448.db2.gz WKGRCOREEGVOIB-QHCPKHFHSA-N 1 1 396.498 4.809 40 0 GJABMO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 ZINC000072372576 211102451 /nfs/dbraw/zinc/10/24/51/211102451.db2.gz WKGRCOREEGVOIB-QHCPKHFHSA-N 1 1 396.498 4.809 40 0 GJABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072376604 211106411 /nfs/dbraw/zinc/10/64/11/211106411.db2.gz ORALPPFYWUVJMJ-OAQYLSRUSA-N 1 1 376.479 4.686 40 0 GJABMO Cc1nc2c(C)cccn2c1C[N@H+]1CCC[C@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375784 211104652 /nfs/dbraw/zinc/10/46/52/211104652.db2.gz FTHPUQPFDLMZEB-FQEVSTJZSA-N 1 1 398.514 4.822 40 0 GJABMO CN(C)CCC[N@H+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066331689 211001457 /nfs/dbraw/zinc/00/14/57/211001457.db2.gz FMTFZYKYVZBISL-BRXSOUEKSA-N 1 1 388.640 4.562 40 0 GJABMO CN(C)CCC[N@@H+](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066331689 211001462 /nfs/dbraw/zinc/00/14/62/211001462.db2.gz FMTFZYKYVZBISL-BRXSOUEKSA-N 1 1 388.640 4.562 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000020494503 210341354 /nfs/dbraw/zinc/34/13/54/210341354.db2.gz CBUWSZFRKKAKKZ-UHFFFAOYSA-N 1 1 375.516 4.727 40 0 GJABMO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1C ZINC000020112612 210318129 /nfs/dbraw/zinc/31/81/29/210318129.db2.gz WMTOVDAAUWPHES-QGZVFWFLSA-N 1 1 394.515 4.656 40 0 GJABMO C[N@H+]1CCC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585263056 570231364 /nfs/dbraw/zinc/23/13/64/570231364.db2.gz XWVWLNRLKPZSLH-INIZCTEOSA-N 1 1 382.508 4.972 40 0 GJABMO O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627175 570231510 /nfs/dbraw/zinc/23/15/10/570231510.db2.gz QXZYMLJWVUIGTD-LJQANCHMSA-N 1 1 397.950 4.791 40 0 GJABMO CCOc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216226363 570297224 /nfs/dbraw/zinc/29/72/24/570297224.db2.gz UIEFKIYGYCXTTQ-RTBURBONSA-N 1 1 380.532 4.808 40 0 GJABMO C[NH+](C)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075826 570305258 /nfs/dbraw/zinc/30/52/58/570305258.db2.gz HOOLFRNZOPGSEB-UHFFFAOYSA-N 1 1 387.738 4.877 40 0 GJABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000030865384 570500001 /nfs/dbraw/zinc/50/00/01/570500001.db2.gz HIKUCQBJKAFRKW-JTHBVZDNSA-N 1 1 382.548 4.768 40 0 GJABMO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000224544215 570517872 /nfs/dbraw/zinc/51/78/72/570517872.db2.gz DWUYHDHBTVKTGO-UHFFFAOYSA-N 1 1 381.347 4.822 40 0 GJABMO O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849231 570587219 /nfs/dbraw/zinc/58/72/19/570587219.db2.gz DTSBYNSFOYZLHY-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccccc1F)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849231 570587220 /nfs/dbraw/zinc/58/72/20/570587220.db2.gz DTSBYNSFOYZLHY-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO CCOc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1 ZINC000225582252 570590727 /nfs/dbraw/zinc/59/07/27/570590727.db2.gz ALDCVTAPXMDCFG-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225688781 570603166 /nfs/dbraw/zinc/60/31/66/570603166.db2.gz BYKHCSXHBFITSH-AUSIDOKSSA-N 1 1 390.568 4.577 40 0 GJABMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044912347 570642999 /nfs/dbraw/zinc/64/29/99/570642999.db2.gz NKGCGVDTOKIHQU-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1Cn1cccn1 ZINC000057797066 570703976 /nfs/dbraw/zinc/70/39/76/570703976.db2.gz HPAYKFXUFDWCPC-UHFFFAOYSA-N 1 1 398.510 4.537 40 0 GJABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260941137 570715149 /nfs/dbraw/zinc/71/51/49/570715149.db2.gz RAEZAAZRMUJZOP-JPYJTQIMSA-N 1 1 394.534 4.794 40 0 GJABMO CCc1ccc(C[N@@H+](Cc2ccc(N3CCCC3=O)cc2)Cc2cccnc2)cc1 ZINC000013569131 570850829 /nfs/dbraw/zinc/85/08/29/570850829.db2.gz RKSLSFXLTTWOFF-UHFFFAOYSA-N 1 1 399.538 4.973 40 0 GJABMO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc3ncccc3c2)cc1OC ZINC000013989947 570868401 /nfs/dbraw/zinc/86/84/01/570868401.db2.gz RRCGUYIMRMTCTB-UHFFFAOYSA-N 1 1 399.494 4.849 40 0 GJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc3ncccc3c2)cc1OC ZINC000013989947 570868402 /nfs/dbraw/zinc/86/84/02/570868402.db2.gz RRCGUYIMRMTCTB-UHFFFAOYSA-N 1 1 399.494 4.849 40 0 GJABMO COc1ccc(C[N@H+](Cc2ccncc2)C[C@@H](C)c2ccccc2)cc1OC ZINC000013989939 570868503 /nfs/dbraw/zinc/86/85/03/570868503.db2.gz NSLVFAPXVHMTQG-LJQANCHMSA-N 1 1 376.500 4.905 40 0 GJABMO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3F)CC2)N1Cc1ccccc1 ZINC000585100060 570924142 /nfs/dbraw/zinc/92/41/42/570924142.db2.gz DNBULORGPGEHJB-HSZRJFAPSA-N 1 1 384.470 4.512 40 0 GJABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081713 570956258 /nfs/dbraw/zinc/95/62/58/570956258.db2.gz XLJKFBDXIWDMBR-UNMCSNQZSA-N 1 1 397.538 4.869 40 0 GJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3cccc4cccnc43)o2)s1 ZINC000019217751 570962396 /nfs/dbraw/zinc/96/23/96/570962396.db2.gz AJLZZPDGAYIIPQ-KRWDZBQOSA-N 1 1 376.485 4.992 40 0 GJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3cccc4cccnc43)o2)s1 ZINC000019217751 570962397 /nfs/dbraw/zinc/96/23/97/570962397.db2.gz AJLZZPDGAYIIPQ-KRWDZBQOSA-N 1 1 376.485 4.992 40 0 GJABMO Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCC1 ZINC000019237252 570966905 /nfs/dbraw/zinc/96/69/05/570966905.db2.gz ZXVFUDOJNZDUKL-VABKMULXSA-N 1 1 394.584 4.673 40 0 GJABMO CCn1cc(CN2CCC[C@H]2c2[nH+]cn3cc(-c4cccs4)ccc23)cn1 ZINC000306141915 212055226 /nfs/dbraw/zinc/05/52/26/212055226.db2.gz WJZGBTIRPWPVJG-SFHVURJKSA-N 1 1 377.517 4.616 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257330975 212026625 /nfs/dbraw/zinc/02/66/25/212026625.db2.gz XQVPKTNUCSQEMZ-SFHVURJKSA-N 1 1 386.499 4.899 40 0 GJABMO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC000004887438 204086446 /nfs/dbraw/zinc/08/64/46/204086446.db2.gz XCPZQPKXBWLDQZ-JLYLLQBASA-N 1 1 377.985 4.955 40 0 GJABMO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035289089 204149395 /nfs/dbraw/zinc/14/93/95/204149395.db2.gz ZRCNZJCNBFCHDM-AYHJJNSGSA-N 1 1 385.964 4.822 40 0 GJABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)ccc1OC(C)C ZINC000012345309 204398323 /nfs/dbraw/zinc/39/83/23/204398323.db2.gz AOIWQUCXSYGGNT-SVGJNIJCSA-N 1 1 399.506 4.636 40 0 GJABMO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849295 205040892 /nfs/dbraw/zinc/04/08/92/205040892.db2.gz NENFYBNKTXYFOR-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038849295 205040896 /nfs/dbraw/zinc/04/08/96/205040896.db2.gz NENFYBNKTXYFOR-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834232 205039078 /nfs/dbraw/zinc/03/90/78/205039078.db2.gz AQUIIUDFYLWCNA-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000038834232 205039082 /nfs/dbraw/zinc/03/90/82/205039082.db2.gz AQUIIUDFYLWCNA-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000044911938 205090922 /nfs/dbraw/zinc/09/09/22/205090922.db2.gz OPNMHVBURWWLEK-QGZVFWFLSA-N 1 1 394.515 4.656 40 0 GJABMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1C1CCOCC1 ZINC000072394995 205343234 /nfs/dbraw/zinc/34/32/34/205343234.db2.gz 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c1ccc(Nc2cncc([C@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072376334 211104677 /nfs/dbraw/zinc/10/46/77/211104677.db2.gz GYEHXNYYPGMDFM-OAQYLSRUSA-N 1 1 382.471 4.501 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072350249 211097046 /nfs/dbraw/zinc/09/70/46/211097046.db2.gz UNBZRYQPBGWDAL-IBGZPJMESA-N 1 1 376.479 4.620 40 0 GJABMO Cc1cccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000022527874 210416711 /nfs/dbraw/zinc/41/67/11/210416711.db2.gz QBBJGUQVFILWSI-FQEVSTJZSA-N 1 1 396.600 4.890 40 0 GJABMO O=C(c1ccc(-c2ccccc2)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408613646 534679661 /nfs/dbraw/zinc/67/96/61/534679661.db2.gz ZFPZBIHMXUNCIZ-VWLOTQADSA-N 1 1 382.507 4.626 40 0 GJABMO Cc1nc([C@@H]2CC[N@H+](C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753419 570215915 /nfs/dbraw/zinc/21/59/15/570215915.db2.gz QRCPWHMIRJBENU-MRXNPFEDSA-N 1 1 398.938 4.813 40 0 GJABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2C2CCCC2)nc1C ZINC000019753462 570215967 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392.478 4.601 40 0 GJABMO O=C(N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000072373154 205337859 /nfs/dbraw/zinc/33/78/59/205337859.db2.gz WVOHRVSCLILPLB-GMAHTHKFSA-N 1 1 395.522 4.623 40 0 GJABMO O=C(N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000072373155 205338726 /nfs/dbraw/zinc/33/87/26/205338726.db2.gz WVOHRVSCLILPLB-GGAORHGYSA-N 1 1 395.522 4.623 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000225449349 206048622 /nfs/dbraw/zinc/04/86/22/206048622.db2.gz FADXWLOEPMNGNV-UHFFFAOYSA-N 1 1 390.434 4.686 40 0 GJABMO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584714 206058564 /nfs/dbraw/zinc/05/85/64/206058564.db2.gz OHTAHZYGSIETGZ-UHFFFAOYSA-N 1 1 380.935 4.920 40 0 GJABMO COc1cccc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306144815 206206336 /nfs/dbraw/zinc/20/63/36/206206336.db2.gz ZPFZEOMTVOSFMQ-QFIPXVFZSA-N 1 1 384.483 4.742 40 0 GJABMO COc1ccccc1C[N@H+]1CCC[C@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306143765 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377.463 4.671 40 0 GJABMO C[C@H]1CCC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569772 210347932 /nfs/dbraw/zinc/34/79/32/210347932.db2.gz UWADVROSAKPYEC-TUACAJSNSA-N 1 1 382.592 4.758 40 0 GJABMO Cc1nc(NC2CCCC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000328975201 570210086 /nfs/dbraw/zinc/21/00/86/570210086.db2.gz FJTGXCQAUFEVJS-UHFFFAOYSA-N 1 1 392.425 4.601 40 0 GJABMO CCC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3=O)cc2)C[C@H]1Nc1ccccc1 ZINC000585262241 570229656 /nfs/dbraw/zinc/22/96/56/570229656.db2.gz QWJBYQGNFUWMCT-XUZZJYLKSA-N 1 1 391.559 4.916 40 0 GJABMO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020486548 570262353 /nfs/dbraw/zinc/26/23/53/570262353.db2.gz WKEQOMDSTMAQMW-QHCPKHFHSA-N 1 1 399.494 4.808 40 0 GJABMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CCC3(CC3(F)F)CC2)cc1 ZINC000664372769 570284745 /nfs/dbraw/zinc/28/47/45/570284745.db2.gz JBTOQWLPFSAASK-FNMUINPESA-N 1 1 388.462 4.509 40 0 GJABMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 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570850589 /nfs/dbraw/zinc/85/05/89/570850589.db2.gz IDVUAFTZLICDQB-UHFFFAOYSA-N 1 1 388.511 4.790 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100677 570925387 /nfs/dbraw/zinc/92/53/87/570925387.db2.gz SJEZFLVRCRHDFY-XMMPIXPASA-N 1 1 384.564 4.623 40 0 GJABMO Cc1csc([C@@H](Cc2cccs2)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000019240072 570968625 /nfs/dbraw/zinc/96/86/25/570968625.db2.gz PWYZIASVPZIZIL-OAHLLOKOSA-N 1 1 392.933 4.969 40 0 GJABMO C[NH2+]C1CCC2(CC1)CN(Cc1ccccc1OC(C)C)Cc1ccccc1O2 ZINC000019450966 570985454 /nfs/dbraw/zinc/98/54/54/570985454.db2.gz LYRHYEGDRPUBNQ-UHFFFAOYSA-N 1 1 394.559 4.769 40 0 GJABMO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@@H+](CCc4ccccc4)C3)n2)c1 ZINC000585172043 570997374 /nfs/dbraw/zinc/99/73/74/570997374.db2.gz LZIFAWGQXOGDGZ-QGZVFWFLSA-N 1 1 387.405 4.787 40 0 GJABMO CCOc1cc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)ccc1OC ZINC000019532153 570999259 /nfs/dbraw/zinc/99/92/59/570999259.db2.gz WRBKCJODTSGRFE-KRWDZBQOSA-N 1 1 388.558 4.994 40 0 GJABMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)cc1 ZINC000019533257 570999473 /nfs/dbraw/zinc/99/94/73/570999473.db2.gz QWQQTTPKTDZYNE-FQEVSTJZSA-N 1 1 380.492 4.807 40 0 GJABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2onc(C)c2C)cc1 ZINC000019533257 570999477 /nfs/dbraw/zinc/99/94/77/570999477.db2.gz QWQQTTPKTDZYNE-FQEVSTJZSA-N 1 1 380.492 4.807 40 0 GJABMO COc1cccc(C[N@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690429 571029078 /nfs/dbraw/zinc/02/90/78/571029078.db2.gz QQGORJYZGCDKAZ-QFIPXVFZSA-N 1 1 388.515 4.555 40 0 GJABMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2[nH]ncc2-c2cc(C)no2)cc1C ZINC000019567336 210266863 /nfs/dbraw/zinc/26/68/63/210266863.db2.gz YWOKYJUFDPIKRP-IBGZPJMESA-N 1 1 380.492 4.726 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1OC(C)C ZINC000012345632 209942893 /nfs/dbraw/zinc/94/28/93/209942893.db2.gz JSIMKAWAIIRDNQ-SVGJNIJCSA-N 1 1 399.506 4.636 40 0 GJABMO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccco5)C4)nn3c2)c1 ZINC000306135690 212051427 /nfs/dbraw/zinc/05/14/27/212051427.db2.gz OXXDVTNPSCWADQ-SFHVURJKSA-N 1 1 376.435 4.508 40 0 GJABMO CCc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000035311817 204167325 /nfs/dbraw/zinc/16/73/25/204167325.db2.gz WTKBULSCTIMOOH-FRIKZZABSA-N 1 1 377.532 4.956 40 0 GJABMO CC(C)c1nc(NC2CC2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329031240 209157768 /nfs/dbraw/zinc/15/77/68/209157768.db2.gz QHYIJNQADOTTMK-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO Cc1cc(N2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)nc(C)[nH+]1 ZINC000257230644 212006485 /nfs/dbraw/zinc/00/64/85/212006485.db2.gz GDFLREQPMYYLHV-GOSISDBHSA-N 1 1 394.469 4.741 40 0 GJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834711 205039524 /nfs/dbraw/zinc/03/95/24/205039524.db2.gz KJJBFAITBKZXBC-OAHLLOKOSA-N 1 1 380.385 4.695 40 0 GJABMO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038853421 205039973 /nfs/dbraw/zinc/03/99/73/205039973.db2.gz QYAMKPCXNLZICQ-CQSZACIVSA-N 1 1 381.278 4.983 40 0 GJABMO Cc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1c[nH]nc1-c1ccccc1 ZINC000036740161 205021470 /nfs/dbraw/zinc/02/14/70/205021470.db2.gz NNTSSOPOLXZFAI-UHFFFAOYSA-N 1 1 385.515 4.674 40 0 GJABMO COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834180 205038465 /nfs/dbraw/zinc/03/84/65/205038465.db2.gz NXJWWJDVIHZRMJ-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO COc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000038834180 205038467 /nfs/dbraw/zinc/03/84/67/205038467.db2.gz NXJWWJDVIHZRMJ-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)c(C)c1 ZINC000044856494 205087393 /nfs/dbraw/zinc/08/73/93/205087393.db2.gz KBHAMXYOIWBQCC-FYYLOGMGSA-N 1 1 382.523 4.922 40 0 GJABMO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)no1 ZINC000072352780 205331942 /nfs/dbraw/zinc/33/19/42/205331942.db2.gz BOXIEKSUOUGKHM-OEMHODTASA-N 1 1 393.531 4.630 40 0 GJABMO Fc1ccccc1C[N@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000072369950 205335506 /nfs/dbraw/zinc/33/55/06/205335506.db2.gz PBSNXZWMVKKREJ-OAHLLOKOSA-N 1 1 391.368 4.884 40 0 GJABMO Fc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369968 205336451 /nfs/dbraw/zinc/33/64/51/205336451.db2.gz HIILOTCVBLTGSW-OAHLLOKOSA-N 1 1 391.368 4.884 40 0 GJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1 ZINC000225583234 206059684 /nfs/dbraw/zinc/05/96/84/206059684.db2.gz WJTIAVDKVHXTKH-CQSZACIVSA-N 1 1 392.877 4.708 40 0 GJABMO CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225817639 206079787 /nfs/dbraw/zinc/07/97/87/206079787.db2.gz PNCMNVKGGJHODW-HXUWFJFHSA-N 1 1 384.951 4.690 40 0 GJABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 ZINC000306132609 206201268 /nfs/dbraw/zinc/20/12/68/206201268.db2.gz LNSVMSVOKIEBJP-SFHVURJKSA-N 1 1 389.528 4.541 40 0 GJABMO O=C([C@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745027 206214702 /nfs/dbraw/zinc/21/47/02/206214702.db2.gz WMWDKSUEACMBLJ-QHCPKHFHSA-N 1 1 394.534 4.519 40 0 GJABMO O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627174 211345524 /nfs/dbraw/zinc/34/55/24/211345524.db2.gz QXZYMLJWVUIGTD-IBGZPJMESA-N 1 1 397.950 4.791 40 0 GJABMO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 ZINC000096047552 211295956 /nfs/dbraw/zinc/29/59/56/211295956.db2.gz JDEGDTFOYAKVBX-HSZRJFAPSA-N 1 1 384.470 4.512 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359132 211101536 /nfs/dbraw/zinc/10/15/36/211101536.db2.gz AQHCOTZDWIEHLV-QGZVFWFLSA-N 1 1 393.922 4.613 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359812 211100635 /nfs/dbraw/zinc/10/06/35/211100635.db2.gz OZSZIHBJNKCKOO-QGZVFWFLSA-N 1 1 393.922 4.613 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353980 211099310 /nfs/dbraw/zinc/09/93/10/211099310.db2.gz AUEGDZMJTOTZPO-OAQYLSRUSA-N 1 1 392.522 4.541 40 0 GJABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350303 211097777 /nfs/dbraw/zinc/09/77/77/211097777.db2.gz NDQRRKKMRMJAMA-IBGZPJMESA-N 1 1 394.950 4.922 40 0 GJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350303 211097780 /nfs/dbraw/zinc/09/77/80/211097780.db2.gz NDQRRKKMRMJAMA-IBGZPJMESA-N 1 1 394.950 4.922 40 0 GJABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020486546 210339796 /nfs/dbraw/zinc/33/97/96/210339796.db2.gz WKEQOMDSTMAQMW-HSZRJFAPSA-N 1 1 399.494 4.808 40 0 GJABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000057712653 136153952 /nfs/dbraw/zinc/15/39/52/136153952.db2.gz WVVRJKUDZHFHTM-KRWDZBQOSA-N 1 1 375.516 4.939 40 0 GJABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000057712653 136153953 /nfs/dbraw/zinc/15/39/53/136153953.db2.gz WVVRJKUDZHFHTM-KRWDZBQOSA-N 1 1 375.516 4.939 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCCC4)cc3)cc2c1 ZINC000072396088 136169182 /nfs/dbraw/zinc/16/91/82/136169182.db2.gz VMUKXYYEZSWRAN-UHFFFAOYSA-N 1 1 377.488 4.529 40 0 GJABMO CCc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712640 535828957 /nfs/dbraw/zinc/82/89/57/535828957.db2.gz VUDYQIKSTOWBHA-KRWDZBQOSA-N 1 1 375.516 4.939 40 0 GJABMO CCc1ccc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712640 535828960 /nfs/dbraw/zinc/82/89/60/535828960.db2.gz VUDYQIKSTOWBHA-KRWDZBQOSA-N 1 1 375.516 4.939 40 0 GJABMO CCCSc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223502137 570468654 /nfs/dbraw/zinc/46/86/54/570468654.db2.gz FPBADLLAYPZQRT-CQSZACIVSA-N 1 1 390.578 4.524 40 0 GJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCc2ccccc21 ZINC000030946925 570501705 /nfs/dbraw/zinc/50/17/05/570501705.db2.gz OLPWNOUNAJDSOR-UHFFFAOYSA-N 1 1 389.326 4.795 40 0 GJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848465 570634500 /nfs/dbraw/zinc/63/45/00/570634500.db2.gz WSBVTBCRSPBJMY-UHFFFAOYSA-N 1 1 387.439 4.659 40 0 GJABMO CCc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000260759583 570703504 /nfs/dbraw/zinc/70/35/04/570703504.db2.gz BXCQTOJTKKQVJU-UTKZUKDTSA-N 1 1 384.951 4.992 40 0 GJABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812423 570707270 /nfs/dbraw/zinc/70/72/70/570707270.db2.gz BFZAJVMNDAMSDN-AUSIDOKSSA-N 1 1 390.568 4.864 40 0 GJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260814475 570707847 /nfs/dbraw/zinc/70/78/47/570707847.db2.gz JCGZFCDAZCCAPF-LJQANCHMSA-N 1 1 388.552 4.618 40 0 GJABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814458 570707879 /nfs/dbraw/zinc/70/78/79/570707879.db2.gz IMMUUUFMRMEUBZ-XXBNENTESA-N 1 1 390.568 4.720 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100874 570928603 /nfs/dbraw/zinc/92/86/03/570928603.db2.gz ZWLJDNFTWKQLJH-RUZDIDTESA-N 1 1 392.543 4.551 40 0 GJABMO COc1ccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)c(C)s2)cc1OC ZINC000019559637 571004944 /nfs/dbraw/zinc/00/49/44/571004944.db2.gz ZSGQJGXKWNBHBQ-QGZVFWFLSA-N 1 1 388.558 4.912 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019564325 571006888 /nfs/dbraw/zinc/00/68/88/571006888.db2.gz LJDFZTNLTCQQAO-OAHLLOKOSA-N 1 1 387.430 4.857 40 0 GJABMO COc1cc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1 ZINC000019559856 210263435 /nfs/dbraw/zinc/26/34/35/210263435.db2.gz WXANWRUZVMSZNJ-LJQANCHMSA-N 1 1 388.558 4.912 40 0 GJABMO COc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)c1OC ZINC000019559918 210263101 /nfs/dbraw/zinc/26/31/01/210263101.db2.gz HTAMQUOWMLHBQV-KRWDZBQOSA-N 1 1 388.558 4.912 40 0 GJABMO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1ccc(C)cn1)OCO2 ZINC000019532527 210259027 /nfs/dbraw/zinc/25/90/27/210259027.db2.gz QGDNXLBMLAQRNO-LJQANCHMSA-N 1 1 396.512 4.653 40 0 GJABMO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019503672 210255435 /nfs/dbraw/zinc/25/54/35/210255435.db2.gz XOKFEXSJCJADRV-AWEZNQCLSA-N 1 1 396.318 4.501 40 0 GJABMO CCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019503672 210255437 /nfs/dbraw/zinc/25/54/37/210255437.db2.gz XOKFEXSJCJADRV-AWEZNQCLSA-N 1 1 396.318 4.501 40 0 GJABMO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCCC3)CC[C@@H]21 ZINC000019406577 210249471 /nfs/dbraw/zinc/24/94/71/210249471.db2.gz QWKVYPJHEHPVCR-FKBYEOEOSA-N 1 1 386.605 4.887 40 0 GJABMO COc1ccc(C(=O)CN(c2cccc(C)c2)C2=[NH+]CCCCC2)cc1OC ZINC000008414521 212074564 /nfs/dbraw/zinc/07/45/64/212074564.db2.gz MNJWRMFUNDNSBF-UHFFFAOYSA-N 1 1 380.488 4.674 40 0 GJABMO Cc1cc(N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc(C)[nH+]1 ZINC000257312640 212022475 /nfs/dbraw/zinc/02/24/75/212022475.db2.gz UOXSTLSBZVWHJW-FQEVSTJZSA-N 1 1 376.479 4.602 40 0 GJABMO CCN1CC2(CCC([N@@H+](C)C[C@H]3CC=CCC3)CC2)Oc2ccccc2C1=O ZINC000257312695 212022044 /nfs/dbraw/zinc/02/20/44/212022044.db2.gz UPEHTLABULOEEQ-HDJSMCDHSA-N 1 1 382.548 4.511 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)n1 ZINC000257302696 212019544 /nfs/dbraw/zinc/01/95/44/212019544.db2.gz SDXUBYLXLUALSD-IBGZPJMESA-N 1 1 398.510 4.966 40 0 GJABMO C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)[N@@H+](CC3CC3)[C@H]1CCCCC(=O)N2 ZINC000257287972 212017731 /nfs/dbraw/zinc/01/77/31/212017731.db2.gz PSGMFHDQPWYKGT-BJLQDIEVSA-N 1 1 380.454 4.680 40 0 GJABMO CC(C)(C)Nc1c([C@@H]2CCCN(C(=O)c3ccccc3F)C2)[nH+]c2ccccn21 ZINC000012088124 204371490 /nfs/dbraw/zinc/37/14/90/204371490.db2.gz RGEKCFUGMWEROF-MRXNPFEDSA-N 1 1 394.494 4.704 40 0 GJABMO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329047711 209158922 /nfs/dbraw/zinc/15/89/22/209158922.db2.gz UGPRDSBQHREFDN-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C2CC2)n1 ZINC000329047711 209158928 /nfs/dbraw/zinc/15/89/28/209158928.db2.gz UGPRDSBQHREFDN-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO Cc1noc(C)c1-c1cncc([C@@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257261073 212011809 /nfs/dbraw/zinc/01/18/09/212011809.db2.gz LFPVAPLJXAGUPP-QFIPXVFZSA-N 1 1 385.471 4.634 40 0 GJABMO COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044937382 205091126 /nfs/dbraw/zinc/09/11/26/205091126.db2.gz SFFWFGGZNXXPSZ-HSZRJFAPSA-N 1 1 391.515 4.766 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350258 205330345 /nfs/dbraw/zinc/33/03/45/205330345.db2.gz RLAMCRBCSZSYID-IBGZPJMESA-N 1 1 388.515 4.574 40 0 GJABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072355476 205331729 /nfs/dbraw/zinc/33/17/29/205331729.db2.gz UCEIBXLXBUTULG-OAQYLSRUSA-N 1 1 389.547 4.598 40 0 GJABMO CCN1CC2(CCC([N@@H+](C)CC3CCCCC3)CC2)Oc2ccccc2C1=O ZINC000257201319 206157458 /nfs/dbraw/zinc/15/74/58/206157458.db2.gz AHDNMMGXWGZCQX-UHFFFAOYSA-N 1 1 384.564 4.735 40 0 GJABMO Fc1cccc(N[C@@H]2CC[N@@H+](Cc3ncccc3F)C[C@@H]2Cc2ccccc2)c1 ZINC000257288194 206173207 /nfs/dbraw/zinc/17/32/07/206173207.db2.gz PTHFIVKXZBPSRR-WMZHIEFXSA-N 1 1 393.481 4.905 40 0 GJABMO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@@H+]2C ZINC000257285827 206173953 /nfs/dbraw/zinc/17/39/53/206173953.db2.gz PJAOZKJXKJQJHM-CVDCTZTESA-N 1 1 397.588 4.521 40 0 GJABMO CCN1CC2(CCC([N@@H+](C)C[C@@H]3CC=CCC3)CC2)Oc2ccccc2C1=O ZINC000257312696 206177990 /nfs/dbraw/zinc/17/79/90/206177990.db2.gz UPEHTLABULOEEQ-KDARRYODSA-N 1 1 382.548 4.511 40 0 GJABMO COc1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380369 211107961 /nfs/dbraw/zinc/10/79/61/211107961.db2.gz OZSFXZHPZNGIJS-QHCPKHFHSA-N 1 1 384.483 4.971 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072350248 211096348 /nfs/dbraw/zinc/09/63/48/211096348.db2.gz XRHLSGNBKNKUIV-GOSISDBHSA-N 1 1 376.479 4.620 40 0 GJABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000020044915 210314696 /nfs/dbraw/zinc/31/46/96/210314696.db2.gz AKRBXFCRANQGLD-WZONZLPQSA-N 1 1 380.532 4.808 40 0 GJABMO Cc1cc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057712696 136153819 /nfs/dbraw/zinc/15/38/19/136153819.db2.gz PNNFNSRSRLNNLK-INIZCTEOSA-N 1 1 375.516 4.993 40 0 GJABMO Cc1cc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057712696 136153820 /nfs/dbraw/zinc/15/38/20/136153820.db2.gz PNNFNSRSRLNNLK-INIZCTEOSA-N 1 1 375.516 4.993 40 0 GJABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000057712733 136153872 /nfs/dbraw/zinc/15/38/72/136153872.db2.gz DVWOEQADOSXDLC-UHFFFAOYSA-N 1 1 375.516 4.939 40 0 GJABMO O=C1OC[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)Cc3ccc(F)cc3N12 ZINC000225486970 560042663 /nfs/dbraw/zinc/04/26/63/560042663.db2.gz JEKNRYHMROGXJN-KRWDZBQOSA-N 1 1 394.368 4.576 40 0 biogenic,in-vitro GJABMO CC1(C)CN(c2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)Cc2ccccc21 ZINC000329005173 570211504 /nfs/dbraw/zinc/21/15/04/570211504.db2.gz KWFVSYGAOKYNFZ-UHFFFAOYSA-N 1 1 376.548 4.818 40 0 GJABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329064442 570216102 /nfs/dbraw/zinc/21/61/02/570216102.db2.gz XJZZSURPUZMRQL-INIZCTEOSA-N 1 1 392.547 4.715 40 0 GJABMO C[C@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329064442 570216104 /nfs/dbraw/zinc/21/61/04/570216104.db2.gz XJZZSURPUZMRQL-INIZCTEOSA-N 1 1 392.547 4.715 40 0 GJABMO Cc1[nH+]c(N2CCCC2)ccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218951 570318133 /nfs/dbraw/zinc/31/81/33/570318133.db2.gz ACLUASSSZBENTC-OAQYLSRUSA-N 1 1 379.504 4.854 40 0 GJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072219275 570318321 /nfs/dbraw/zinc/31/83/21/570318321.db2.gz ZDLCLYWUTALQHP-NRFANRHFSA-N 1 1 379.504 4.854 40 0 GJABMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219415105 570359840 /nfs/dbraw/zinc/35/98/40/570359840.db2.gz JTZUIFCNKVVIJM-UHFFFAOYSA-N 1 1 391.342 4.564 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000222689016 570420761 /nfs/dbraw/zinc/42/07/61/570420761.db2.gz VYVLAVGYAYIVED-SFHVURJKSA-N 1 1 391.515 4.696 40 0 GJABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000223213316 570450232 /nfs/dbraw/zinc/45/02/32/570450232.db2.gz GSWWDFXTXDVUCL-MOPGFXCFSA-N 1 1 376.544 4.898 40 0 GJABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 ZINC000257243080 570487807 /nfs/dbraw/zinc/48/78/07/570487807.db2.gz IFJWHIVWLJRCBX-XMMPIXPASA-N 1 1 378.516 4.581 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2c(Cl)cccc2Cl)cc1 ZINC000225355068 570566932 /nfs/dbraw/zinc/56/69/32/570566932.db2.gz PCNVZJDUPXUTND-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225738689 570611461 /nfs/dbraw/zinc/61/14/61/570611461.db2.gz ASDCRBYWEXGYHB-CVDCTZTESA-N 1 1 390.568 4.864 40 0 GJABMO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)c1 ZINC000004883064 570642916 /nfs/dbraw/zinc/64/29/16/570642916.db2.gz UEMGPHWYXVNMON-SEJPIABJSA-N 1 1 397.494 4.542 40 0 GJABMO CCOC(=O)c1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714054 570680839 /nfs/dbraw/zinc/68/08/39/570680839.db2.gz SXKHQFSIQGLBMT-XDHUDOTRSA-N 1 1 396.531 4.826 40 0 GJABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCCCC1 ZINC000260816720 570707374 /nfs/dbraw/zinc/70/73/74/570707374.db2.gz OAZWJTUCPRYOBI-LJQANCHMSA-N 1 1 388.552 4.618 40 0 GJABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814729 570707895 /nfs/dbraw/zinc/70/78/95/570707895.db2.gz MYCDEBUDJMHQMK-XXBNENTESA-N 1 1 390.568 4.864 40 0 GJABMO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c1C ZINC000019523962 570996240 /nfs/dbraw/zinc/99/62/40/570996240.db2.gz VPYRHLIJGVVLQO-JOCHJYFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c1C ZINC000019523962 570996244 /nfs/dbraw/zinc/99/62/44/570996244.db2.gz VPYRHLIJGVVLQO-JOCHJYFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCOc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)cs2)cc1OC ZINC000019533955 570999736 /nfs/dbraw/zinc/99/97/36/570999736.db2.gz YZBYYHUQBLMXAT-KRWDZBQOSA-N 1 1 388.558 4.994 40 0 GJABMO COc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)c(C)s2)cc1OC ZINC000019559634 571004871 /nfs/dbraw/zinc/00/48/71/571004871.db2.gz ZSGQJGXKWNBHBQ-KRWDZBQOSA-N 1 1 388.558 4.912 40 0 GJABMO COc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019559867 210264498 /nfs/dbraw/zinc/26/44/98/210264498.db2.gz DUDKEFZRABNYDH-QGZVFWFLSA-N 1 1 388.558 4.912 40 0 GJABMO COc1cccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)c(C)s2)c1OC ZINC000019559643 210263248 /nfs/dbraw/zinc/26/32/48/210263248.db2.gz SCMXKEIGKIMXCT-QGZVFWFLSA-N 1 1 388.558 4.912 40 0 GJABMO CCCOc1c(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cccc1OC ZINC000019503802 210255352 /nfs/dbraw/zinc/25/53/52/210255352.db2.gz SDKFYORYJCSWFG-GOSISDBHSA-N 1 1 379.504 4.740 40 0 GJABMO CC(C)[N@H+]1CC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000019447760 210248323 /nfs/dbraw/zinc/24/83/23/210248323.db2.gz BLUGUBRQZZPIEJ-LBPRGKRZSA-N 1 1 380.439 4.674 40 0 GJABMO Cc1nc(Nc2cccc([C@@H]3C[N@H+](Cc4ccccc4C)CCO3)n2)sc1C ZINC000257338961 212027826 /nfs/dbraw/zinc/02/78/26/212027826.db2.gz YZQBCBZTVYXWAJ-FQEVSTJZSA-N 1 1 394.544 4.780 40 0 GJABMO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](Cc4ccccc4C)CCO3)n2)sc1C ZINC000257338961 212027831 /nfs/dbraw/zinc/02/78/31/212027831.db2.gz YZQBCBZTVYXWAJ-FQEVSTJZSA-N 1 1 394.544 4.780 40 0 GJABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2[nH]c3ccccc3c2Cl)CC1 ZINC000012330636 204398993 /nfs/dbraw/zinc/39/89/93/204398993.db2.gz ZMPHOWSNAJVHMD-UHFFFAOYSA-N 1 1 399.897 4.588 40 0 GJABMO Clc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1Cl ZINC000019341460 204638728 /nfs/dbraw/zinc/63/87/28/204638728.db2.gz CWPIZQXZRIPNFN-UHFFFAOYSA-N 1 1 389.286 4.818 40 0 GJABMO O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849235 205041366 /nfs/dbraw/zinc/04/13/66/205041366.db2.gz RXIGXSRMSWJDMF-ZDUSSCGKSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccccc1F)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849235 205041368 /nfs/dbraw/zinc/04/13/68/205041368.db2.gz RXIGXSRMSWJDMF-ZDUSSCGKSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038857370 205041420 /nfs/dbraw/zinc/04/14/20/205041420.db2.gz NJSKAOXAGMFJME-QGZVFWFLSA-N 1 1 377.315 4.522 40 0 GJABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000044912296 205090596 /nfs/dbraw/zinc/09/05/96/205090596.db2.gz MBPXYVHZEMXNHR-QGZVFWFLSA-N 1 1 391.342 4.830 40 0 GJABMO CCN(CC)CC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022075923 211752957 /nfs/dbraw/zinc/75/29/57/211752957.db2.gz XTNNEHHRNPMDMG-UHFFFAOYSA-N 1 1 380.507 4.989 40 0 GJABMO Cc1ccc(C)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000223352518 205998650 /nfs/dbraw/zinc/99/86/50/205998650.db2.gz SPUZAKMYQXNSDP-UHFFFAOYSA-N 1 1 384.523 4.851 40 0 GJABMO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000223786188 206006214 /nfs/dbraw/zinc/00/62/14/206006214.db2.gz AOKURFZCEWOVRQ-HXUWFJFHSA-N 1 1 394.559 4.851 40 0 GJABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225738648 206072480 /nfs/dbraw/zinc/07/24/80/206072480.db2.gz SEYDJNUIEGQQLF-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)cn1 ZINC000257221961 206161338 /nfs/dbraw/zinc/16/13/38/206161338.db2.gz DRHLMJNGDXTZSB-FIXSFTCYSA-N 1 1 377.532 4.610 40 0 GJABMO Cc1cc(N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)nc(C)[nH+]1 ZINC000257230645 206162790 /nfs/dbraw/zinc/16/27/90/206162790.db2.gz GDFLREQPMYYLHV-SFHVURJKSA-N 1 1 394.469 4.741 40 0 GJABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2ncn3cc(-c4cccnc4)ccc23)c1 ZINC000306144814 206207513 /nfs/dbraw/zinc/20/75/13/206207513.db2.gz ZPFZEOMTVOSFMQ-JOCHJYFZSA-N 1 1 384.483 4.742 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H]2c2ncn3cc(-c4cccnc4)ccc23)cc1 ZINC000306133064 206201793 /nfs/dbraw/zinc/20/17/93/206201793.db2.gz MARXUVAKKSIHFW-QFIPXVFZSA-N 1 1 384.483 4.742 40 0 GJABMO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627688 211345348 /nfs/dbraw/zinc/34/53/48/211345348.db2.gz WMNASJRPHONPBO-OAHLLOKOSA-N 1 1 396.384 4.575 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000096316420 211333604 /nfs/dbraw/zinc/33/36/04/211333604.db2.gz HLKCYOOWMVLNED-VIPRWQQZSA-N 1 1 391.511 4.601 40 0 biogenic,in-vitro GJABMO CCc1nnc(Nc2cccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)s1 ZINC000072375938 211105920 /nfs/dbraw/zinc/10/59/20/211105920.db2.gz DFDAQNQVMCWFAR-SFHVURJKSA-N 1 1 393.560 4.661 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072358567 211099332 /nfs/dbraw/zinc/09/93/32/211099332.db2.gz RPSRVNYFBNQJNC-GOSISDBHSA-N 1 1 398.432 4.937 40 0 GJABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c1 ZINC000072358388 211098727 /nfs/dbraw/zinc/09/87/27/211098727.db2.gz ZQFYHGSCFLGARE-LJQANCHMSA-N 1 1 377.463 4.671 40 0 GJABMO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350653 211096533 /nfs/dbraw/zinc/09/65/33/211096533.db2.gz NMUKASUATLUVPG-OAQYLSRUSA-N 1 1 389.547 4.598 40 0 GJABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000020460732 210338546 /nfs/dbraw/zinc/33/85/46/210338546.db2.gz OQHXWKYBMLFTBF-XMMPIXPASA-N 1 1 399.494 4.808 40 0 GJABMO Cc1nc([C@H]2CC[N@H+](C3CCCCC3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753421 210292519 /nfs/dbraw/zinc/29/25/19/210292519.db2.gz QRCPWHMIRJBENU-INIZCTEOSA-N 1 1 398.938 4.813 40 0 GJABMO Cc1cc(C)c2cc(CNc3ccc([NH+]4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000057712765 136153890 /nfs/dbraw/zinc/15/38/90/136153890.db2.gz VAJCDUNPZVLRRR-UHFFFAOYSA-N 1 1 375.516 4.993 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000057712718 136153905 /nfs/dbraw/zinc/15/39/05/136153905.db2.gz SQZJWWRIFFROTC-KRWDZBQOSA-N 1 1 391.515 4.775 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)cc2c1 ZINC000057712718 136153906 /nfs/dbraw/zinc/15/39/06/136153906.db2.gz SQZJWWRIFFROTC-KRWDZBQOSA-N 1 1 391.515 4.775 40 0 GJABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169867 560084649 /nfs/dbraw/zinc/08/46/49/560084649.db2.gz AMWFVWQZBKNUCV-KRWDZBQOSA-N 1 1 387.405 4.669 40 0 biogenic,in-vitro GJABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc[nH+]c(NC3CCCCC3)n1)CC2 ZINC000329002139 570211574 /nfs/dbraw/zinc/21/15/74/570211574.db2.gz KFRRACFZMDKKHJ-UHFFFAOYSA-N 1 1 392.425 4.683 40 0 GJABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C3CC3)n1)C2 ZINC000329064445 570216046 /nfs/dbraw/zinc/21/60/46/570216046.db2.gz XJZZSURPUZMRQL-MRXNPFEDSA-N 1 1 392.547 4.715 40 0 GJABMO C[C@@H](O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C3CC3)[nH+]1)C2 ZINC000329064445 570216049 /nfs/dbraw/zinc/21/60/49/570216049.db2.gz XJZZSURPUZMRQL-MRXNPFEDSA-N 1 1 392.547 4.715 40 0 GJABMO CCOc1cc(CNCC[NH+](C)C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000022075650 570305234 /nfs/dbraw/zinc/30/52/34/570305234.db2.gz HGFUMMAWXGPQTK-UHFFFAOYSA-N 1 1 397.346 4.622 40 0 GJABMO Cc1[nH+]c(N2CCCCC2)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072219276 570318062 /nfs/dbraw/zinc/31/80/62/570318062.db2.gz ZDLCLYWUTALQHP-OAQYLSRUSA-N 1 1 379.504 4.854 40 0 GJABMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OCc1ccccc1Cl ZINC000022075382 570321795 /nfs/dbraw/zinc/32/17/95/570321795.db2.gz NIOIVHWXDJNLIV-UHFFFAOYSA-N 1 1 390.955 4.749 40 0 GJABMO Cc1cccc(Nc2cncc([C@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)n2)n1 ZINC000072376422 570340499 /nfs/dbraw/zinc/34/04/99/570340499.db2.gz MAIZTOAYVHTJRP-JOCHJYFZSA-N 1 1 398.514 4.752 40 0 GJABMO CCc1cccc2c(CN(Cc3cccnc3)C[C@H]3CCC[N@@H+]3CC)c[nH]c21 ZINC000022931807 570379522 /nfs/dbraw/zinc/37/95/22/570379522.db2.gz QWCSIGIPBVAWRY-JOCHJYFZSA-N 1 1 376.548 4.612 40 0 GJABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000408629241 570381982 /nfs/dbraw/zinc/38/19/82/570381982.db2.gz RQQVLZAVGZLVSE-UHFFFAOYSA-N 1 1 385.939 4.642 40 0 GJABMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000035291741 570460794 /nfs/dbraw/zinc/46/07/94/570460794.db2.gz WWEIYAOYROFTBU-UHFFFAOYSA-N 1 1 390.531 4.615 40 0 GJABMO COc1cc([C@@H]2C[N@@H+](Cc3ccc(F)cc3)[C@H]3CCC[C@H]23)cc(OC)c1OC ZINC000036719477 570561687 /nfs/dbraw/zinc/56/16/87/570561687.db2.gz XPFKCAOXTKOTDL-AABGKKOBSA-N 1 1 385.479 4.620 40 0 GJABMO COC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCCC1 ZINC000225630728 570596176 /nfs/dbraw/zinc/59/61/76/570596176.db2.gz OAZWJTUCPRYOBI-IBGZPJMESA-N 1 1 388.552 4.618 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000044839880 570634547 /nfs/dbraw/zinc/63/45/47/570634547.db2.gz UYDISFBWATYCAR-QGZVFWFLSA-N 1 1 391.515 4.562 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 ZINC000044854402 570636023 /nfs/dbraw/zinc/63/60/23/570636023.db2.gz HCAPRIOIMSJHPI-GOSISDBHSA-N 1 1 375.516 4.726 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Sc1ccc(Cl)cc1 ZINC000044880676 570637983 /nfs/dbraw/zinc/63/79/83/570637983.db2.gz KOURETDRFVPVGA-AWEZNQCLSA-N 1 1 385.920 4.631 40 0 GJABMO Cc1cccc(CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044909622 570642189 /nfs/dbraw/zinc/64/21/89/570642189.db2.gz FMOFPIKYUKKZSJ-NRFANRHFSA-N 1 1 384.951 4.609 40 0 GJABMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000044912284 570642785 /nfs/dbraw/zinc/64/27/85/570642785.db2.gz NCZPHFVZCDXRIM-SFHVURJKSA-N 1 1 391.342 4.830 40 0 GJABMO O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044932895 570643845 /nfs/dbraw/zinc/64/38/45/570643845.db2.gz FSDONOWWWAUSTK-KNQAVFIVSA-N 1 1 382.935 4.746 40 0 GJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812461 570707228 /nfs/dbraw/zinc/70/72/28/570707228.db2.gz BYKHCSXHBFITSH-WMZHIEFXSA-N 1 1 390.568 4.577 40 0 GJABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814724 570707652 /nfs/dbraw/zinc/70/76/52/570707652.db2.gz MYCDEBUDJMHQMK-AUSIDOKSSA-N 1 1 390.568 4.864 40 0 GJABMO CC(C)c1ccccc1OCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260912211 570714022 /nfs/dbraw/zinc/71/40/22/570714022.db2.gz AOKURFZCEWOVRQ-FQEVSTJZSA-N 1 1 394.559 4.851 40 0 GJABMO Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000260942960 570714915 /nfs/dbraw/zinc/71/49/15/570714915.db2.gz SIRJPPKBGNFVKI-FPOVZHCZSA-N 1 1 382.523 4.840 40 0 GJABMO CCOc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062764 570774029 /nfs/dbraw/zinc/77/40/29/570774029.db2.gz XEULIBZIOIWCSC-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 ZINC000585100257 570923849 /nfs/dbraw/zinc/92/38/49/570923849.db2.gz JCFCJNOBRPGOLM-HSZRJFAPSA-N 1 1 390.518 4.892 40 0 GJABMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2cc(C)no2)cc1C ZINC000019567333 571008572 /nfs/dbraw/zinc/00/85/72/571008572.db2.gz YWOKYJUFDPIKRP-LJQANCHMSA-N 1 1 380.492 4.726 40 0 GJABMO COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](c2cc(C(F)F)n[nH]2)C1 ZINC000019570730 571009880 /nfs/dbraw/zinc/00/98/80/571009880.db2.gz LLWNWEJFIBYYTP-ZWKOTPCHSA-N 1 1 383.442 4.739 40 0 GJABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc(C(F)F)c12 ZINC000019564364 210265638 /nfs/dbraw/zinc/26/56/38/210265638.db2.gz JFIFWYXGAFFOKU-CQSZACIVSA-N 1 1 375.394 4.988 40 0 GJABMO OC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c2cccnc2[nH]c1C1CC1 ZINC000019347898 210244690 /nfs/dbraw/zinc/24/46/90/210244690.db2.gz VZLCCSAUDQLNCF-LDSCYUJKSA-N 1 1 391.490 4.594 40 0 GJABMO CCc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=[NH+]CCCC2)cc1 ZINC000006870944 204217208 /nfs/dbraw/zinc/21/72/08/204217208.db2.gz AXPSCWMVPQYGNV-UHFFFAOYSA-N 1 1 380.488 4.538 40 0 GJABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)ccc1OC(C)C ZINC000012345300 204398920 /nfs/dbraw/zinc/39/89/20/204398920.db2.gz ICXFAVTXFRSQJB-QRQCMCJISA-N 1 1 399.506 4.636 40 0 GJABMO Cc1noc(C)c1-c1ccnc(C2CC[NH+](Cc3nccn3C(C)C)CC2)c1 ZINC000257267618 212013749 /nfs/dbraw/zinc/01/37/49/212013749.db2.gz MIBRINYMNITADB-UHFFFAOYSA-N 1 1 379.508 4.510 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2c3ccccc3ccc21 ZINC000039227043 205040820 /nfs/dbraw/zinc/04/08/20/205040820.db2.gz LAJXOULCIVRGCU-UHFFFAOYSA-N 1 1 375.443 4.979 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCc3ccc(Cl)cc3)cc2)C1 ZINC000044906427 205090060 /nfs/dbraw/zinc/09/00/60/205090060.db2.gz VYLOVHXSZYCOQU-SFHVURJKSA-N 1 1 384.951 4.935 40 0 GJABMO CCn1ccnc1C[NH+]1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072350302 205331236 /nfs/dbraw/zinc/33/12/36/205331236.db2.gz BWTOJDLGEQHEBB-UHFFFAOYSA-N 1 1 394.950 4.922 40 0 GJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)n1 ZINC000072372577 205337281 /nfs/dbraw/zinc/33/72/81/205337281.db2.gz WKGRCOREEGVOIB-HSZRJFAPSA-N 1 1 396.498 4.809 40 0 GJABMO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3ncccc3c2)[nH+]1 ZINC000072372577 205337284 /nfs/dbraw/zinc/33/72/84/205337284.db2.gz WKGRCOREEGVOIB-HSZRJFAPSA-N 1 1 396.498 4.809 40 0 GJABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378680 205339973 /nfs/dbraw/zinc/33/99/73/205339973.db2.gz DPKIEXXQRFZKAB-NRFANRHFSA-N 1 1 375.520 4.555 40 0 GJABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)C1 ZINC000225730975 206071188 /nfs/dbraw/zinc/07/11/88/206071188.db2.gz LGPKSFCGFDXLKT-HDICACEKSA-N 1 1 389.609 4.662 40 0 GJABMO C[C@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225736322 206071693 /nfs/dbraw/zinc/07/16/93/206071693.db2.gz KQUKAWOPFJHELV-LBPRGKRZSA-N 1 1 393.906 4.767 40 0 GJABMO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225577198 206058765 /nfs/dbraw/zinc/05/87/65/206058765.db2.gz HQRIMQNTKVKWBP-UHFFFAOYSA-N 1 1 390.886 4.647 40 0 GJABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225607541 206061187 /nfs/dbraw/zinc/06/11/87/206061187.db2.gz BZNMRHAHOPRWJI-AUSIDOKSSA-N 1 1 390.568 4.577 40 0 GJABMO O=C([C@H]1CCC[N@@H+](Cc2cccc3ccccc32)C1)N1CCc2ccccc2C1 ZINC000004745075 206215456 /nfs/dbraw/zinc/21/54/56/206215456.db2.gz VLIHKSXDDPUCHU-DEOSSOPVSA-N 1 1 384.523 4.637 40 0 GJABMO O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627687 211344853 /nfs/dbraw/zinc/34/48/53/211344853.db2.gz WMNASJRPHONPBO-HNNXBMFYSA-N 1 1 396.384 4.575 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C(=C/c1ccco1)c1ccccc1 ZINC000020108044 210315577 /nfs/dbraw/zinc/31/55/77/210315577.db2.gz KCMJOLCPNAIJRW-CJLVFECKSA-N 1 1 383.451 4.631 40 0 GJABMO Cc1cc(C(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cs1 ZINC000012128103 221156450 /nfs/dbraw/zinc/15/64/50/221156450.db2.gz BXSNWDANNUFPFB-INIZCTEOSA-N 1 1 396.560 4.934 40 0 GJABMO CCCCOc1ccc(C(=O)N2CCC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609816 528660219 /nfs/dbraw/zinc/66/02/19/528660219.db2.gz OWWHEJWSKNROEL-QHCPKHFHSA-N 1 1 392.543 4.528 40 0 GJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 ZINC000022931873 535595527 /nfs/dbraw/zinc/59/55/27/535595527.db2.gz CZQGCEALMOMQSD-DEOSSOPVSA-N 1 1 392.591 4.558 40 0 GJABMO CC(C)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]c(C(C)C)n1 ZINC000329050694 570215282 /nfs/dbraw/zinc/21/52/82/570215282.db2.gz UUNFSARVJUOVFV-UHFFFAOYSA-N 1 1 389.341 4.746 40 0 GJABMO Cc1ccc(C)c(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020458319 570259965 /nfs/dbraw/zinc/25/99/65/570259965.db2.gz RVGLZJBBAHVRSC-UHFFFAOYSA-N 1 1 398.550 4.780 40 0 GJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc(F)cc1 ZINC000020460621 570260716 /nfs/dbraw/zinc/26/07/16/570260716.db2.gz ANFGHGUOUCGUAM-GOSISDBHSA-N 1 1 388.486 4.875 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220859 570452698 /nfs/dbraw/zinc/45/26/98/570452698.db2.gz WMTWELPEQYKZNJ-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943702 570501448 /nfs/dbraw/zinc/50/14/48/570501448.db2.gz UNWOBXVDRSACRZ-WIYYLYMNSA-N 1 1 384.951 4.690 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(Cl)c(Cl)c2)cc1 ZINC000225331541 570565290 /nfs/dbraw/zinc/56/52/90/570565290.db2.gz ILYQSHPQWLZXBO-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO COc1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038834193 570585773 /nfs/dbraw/zinc/58/57/73/570585773.db2.gz QQPZPMHDCXKWRE-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 ZINC000038834919 570586406 /nfs/dbraw/zinc/58/64/06/570586406.db2.gz RVMXJGPEHOHGGT-OAHLLOKOSA-N 1 1 387.321 4.933 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000038850310 570587667 /nfs/dbraw/zinc/58/76/67/570587667.db2.gz CSPQARWZHGLBFM-UHFFFAOYSA-N 1 1 384.277 4.563 40 0 GJABMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590533 570591742 /nfs/dbraw/zinc/59/17/42/570591742.db2.gz LDHLGVMOCQKHHW-CYBMUJFWSA-N 1 1 393.742 4.639 40 0 GJABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225654787 570598600 /nfs/dbraw/zinc/59/86/00/570598600.db2.gz MDPDBGFGXVIWJR-IBGZPJMESA-N 1 1 388.552 4.618 40 0 GJABMO O=C(NCCCNc1cc[nH+]c2cc(Cl)ccc12)C1(c2ccccc2)CC1 ZINC000225989024 570638269 /nfs/dbraw/zinc/63/82/69/570638269.db2.gz OAJCMSAKTMGNJJ-UHFFFAOYSA-N 1 1 379.891 4.538 40 0 GJABMO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccs2)c1C ZINC000004856929 570638332 /nfs/dbraw/zinc/63/83/32/570638332.db2.gz ZHKXBCYLMOLXPN-AYHJJNSGSA-N 1 1 385.602 4.847 40 0 GJABMO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004886060 570642588 /nfs/dbraw/zinc/64/25/88/570642588.db2.gz FKKFVJQSKCKZDV-IHWFROFDSA-N 1 1 385.964 4.822 40 0 GJABMO C[NH+](C)[C@H](CNC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl ZINC000032988583 570644928 /nfs/dbraw/zinc/64/49/28/570644928.db2.gz ZGUFFRUYRWVNON-SZGBIAQMSA-N 1 1 395.374 4.637 40 0 GJABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812543 570707330 /nfs/dbraw/zinc/70/73/30/570707330.db2.gz FXFJOGWUNABMSE-WMZHIEFXSA-N 1 1 390.568 4.721 40 0 GJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000260922451 570714445 /nfs/dbraw/zinc/71/44/45/570714445.db2.gz GSWWDFXTXDVUCL-RBUKOAKNSA-N 1 1 376.544 4.898 40 0 GJABMO CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCO[C@H](c2ccc(CN(C)C(C)=O)cc2)C1 ZINC000019712684 570821063 /nfs/dbraw/zinc/82/10/63/570821063.db2.gz ANBLFFTUVUBMSR-RPWUZVMVSA-N 1 1 398.522 4.546 40 0 GJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(C)c(C)c2)cc1OC ZINC000013989908 570868488 /nfs/dbraw/zinc/86/84/88/570868488.db2.gz UXCZQTJNUPNANL-UHFFFAOYSA-N 1 1 376.500 4.918 40 0 GJABMO C[C@@H](O)C[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991954 570868733 /nfs/dbraw/zinc/86/87/33/570868733.db2.gz YKNVHOYEWODJAT-QGZVFWFLSA-N 1 1 393.458 4.604 40 0 GJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1c[nH]nc1-c1cccs1 ZINC000013991322 570869023 /nfs/dbraw/zinc/86/90/23/570869023.db2.gz VJHFMEYGOPPEBQ-UHFFFAOYSA-N 1 1 395.507 4.566 40 0 GJABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2cc(F)ccc2F)CC3)cc1 ZINC000585100277 570924224 /nfs/dbraw/zinc/92/42/24/570924224.db2.gz JKBWABZJPUYIGK-DEOSSOPVSA-N 1 1 398.497 4.821 40 0 GJABMO O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3F)CC2)N1CC1CCCCC1 ZINC000585100258 570924261 /nfs/dbraw/zinc/92/42/61/570924261.db2.gz JCFCJNOBRPGOLM-QHCPKHFHSA-N 1 1 390.518 4.892 40 0 GJABMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019289301 570924735 /nfs/dbraw/zinc/92/47/35/570924735.db2.gz YDAJKGRVJMQIJE-KRWDZBQOSA-N 1 1 384.574 4.549 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cc1 ZINC000585100676 570925381 /nfs/dbraw/zinc/92/53/81/570925381.db2.gz SJEZFLVRCRHDFY-DEOSSOPVSA-N 1 1 384.564 4.623 40 0 GJABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081746 570956296 /nfs/dbraw/zinc/95/62/96/570956296.db2.gz KUKVZNFEICBDBJ-UNMCSNQZSA-N 1 1 397.538 4.869 40 0 GJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)Nc2ccc(-n3ccnc3C(C)C)cc2)c1 ZINC000019288218 570970648 /nfs/dbraw/zinc/97/06/48/570970648.db2.gz YUCBOPVPHMOGNI-UHFFFAOYSA-N 1 1 399.498 4.801 40 0 GJABMO COc1ccccc1C[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169362 570995649 /nfs/dbraw/zinc/99/56/49/570995649.db2.gz MVNMAYVOOWZVBN-KRWDZBQOSA-N 1 1 394.540 4.601 40 0 GJABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019568929 210265275 /nfs/dbraw/zinc/26/52/75/210265275.db2.gz VZPIWNOSGGDOGE-LBPRGKRZSA-N 1 1 381.423 4.991 40 0 GJABMO Clc1cc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc2c1OCO2 ZINC000019406513 210248083 /nfs/dbraw/zinc/24/80/83/210248083.db2.gz LIIWOPDIQYGVNT-AWEZNQCLSA-N 1 1 378.906 4.660 40 0 GJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293882 210240106 /nfs/dbraw/zinc/24/01/06/210240106.db2.gz XILVKIZEWJNBSS-FKBYEOEOSA-N 1 1 398.547 4.504 40 0 GJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)o2)s1 ZINC000019217610 210232062 /nfs/dbraw/zinc/23/20/62/210232062.db2.gz ABKPAUJLIKVBML-CQSZACIVSA-N 1 1 375.444 4.764 40 0 GJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(-n3cccn3)cc2)s1 ZINC000019217153 210231280 /nfs/dbraw/zinc/23/12/80/210231280.db2.gz KSXOGGLCWYQAKY-UHFFFAOYSA-N 1 1 391.544 4.531 40 0 GJABMO Cc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019210194 210230623 /nfs/dbraw/zinc/23/06/23/210230623.db2.gz DYRCSIKOIURPMS-BJKOFHAPSA-N 1 1 376.475 4.714 40 0 GJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]21 ZINC000019081646 210225596 /nfs/dbraw/zinc/22/55/96/210225596.db2.gz BECCGTGKKDDYOP-NJDAHSKKSA-N 1 1 382.573 4.611 40 0 GJABMO Cc1cc(C[C@@H]2CCC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)on1 ZINC000019120457 210224812 /nfs/dbraw/zinc/22/48/12/210224812.db2.gz OLLBRFMJMKJRHN-NZQKXSOJSA-N 1 1 379.479 4.931 40 0 GJABMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000035291768 204155957 /nfs/dbraw/zinc/15/59/57/204155957.db2.gz VYYURNCFQKFGCN-UHFFFAOYSA-N 1 1 396.922 4.651 40 0 GJABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](Cc3cccs3)[C@H]2C1 ZINC000012188332 204379388 /nfs/dbraw/zinc/37/93/88/204379388.db2.gz XEOJFKOWKDLQLX-QAPCUYQASA-N 1 1 394.462 4.504 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2)cc1 ZINC000038848563 205041063 /nfs/dbraw/zinc/04/10/63/205041063.db2.gz XSIFWSHMSCFJNL-UHFFFAOYSA-N 1 1 399.947 4.556 40 0 GJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccnc2ccccc12 ZINC000036740340 205021630 /nfs/dbraw/zinc/02/16/30/205021630.db2.gz PLZVWFTWHXNZOW-UHFFFAOYSA-N 1 1 386.499 4.532 40 0 GJABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC000072376858 205338163 /nfs/dbraw/zinc/33/81/63/205338163.db2.gz HSAXFAZBQFCACX-LJQANCHMSA-N 1 1 379.895 4.501 40 0 GJABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225607607 206061516 /nfs/dbraw/zinc/06/15/16/206061516.db2.gz IMMUUUFMRMEUBZ-WMZHIEFXSA-N 1 1 390.568 4.720 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2cc(C(F)(F)F)ccc21 ZINC000225822166 206079302 /nfs/dbraw/zinc/07/93/02/206079302.db2.gz GRBUNOVNBCJXCL-UHFFFAOYSA-N 1 1 393.380 4.845 40 0 GJABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[N@@H+](C)CC[C@H]1c1ccc(F)cc1 ZINC000257353593 206182945 /nfs/dbraw/zinc/18/29/45/206182945.db2.gz RZVKAWNUVBFUSF-QAGBHRCTSA-N 1 1 375.528 4.865 40 0 GJABMO COC(CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)OC ZINC000001454784 206212152 /nfs/dbraw/zinc/21/21/52/206212152.db2.gz NUYJUMUUTWFGSQ-UHFFFAOYSA-N 1 1 388.471 4.508 40 0 GJABMO CC(C)C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071308 211298292 /nfs/dbraw/zinc/29/82/92/211298292.db2.gz KHNZNHDIOHAQSZ-VWLOTQADSA-N 1 1 376.544 4.967 40 0 GJABMO c1cnc2cccc(C[N@H+]3CCC[C@@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375737 211105662 /nfs/dbraw/zinc/10/56/62/211105662.db2.gz QZDNQPUFOIBCQA-OAQYLSRUSA-N 1 1 382.471 4.501 40 0 GJABMO Cc1cccnc1Nc1cncc([C@@H]2CCC[N@@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000072376423 211104803 /nfs/dbraw/zinc/10/48/03/211104803.db2.gz KONITTSYXROEDT-QFIPXVFZSA-N 1 1 398.514 4.752 40 0 GJABMO O=C(OCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000072202922 211083788 /nfs/dbraw/zinc/08/37/88/211083788.db2.gz JZCQTAYRPMVYIQ-UHFFFAOYSA-N 1 1 378.299 4.949 40 0 GJABMO CC(C)Oc1cccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020495821 210341738 /nfs/dbraw/zinc/34/17/38/210341738.db2.gz KGWFMDDFBZFEAX-IBGZPJMESA-N 1 1 380.532 4.636 40 0 GJABMO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1C ZINC000020112615 210318028 /nfs/dbraw/zinc/31/80/28/210318028.db2.gz WMTOVDAAUWPHES-KRWDZBQOSA-N 1 1 394.515 4.656 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 ZINC000020035447 210313359 /nfs/dbraw/zinc/31/33/59/210313359.db2.gz RKFDVEKPGUVLES-MRXNPFEDSA-N 1 1 397.906 4.535 40 0 GJABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019692070 210281782 /nfs/dbraw/zinc/28/17/82/210281782.db2.gz JZNDROSTICWIHV-QHCPKHFHSA-N 1 1 378.495 4.673 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)on2)cc1 ZINC000019583843 210269836 /nfs/dbraw/zinc/26/98/36/210269836.db2.gz IRGQQARKYWSAIN-OAQYLSRUSA-N 1 1 380.492 4.509 40 0 GJABMO Cc1ccsc1C[N@@H+](Cc1c(C)nn(-c2ccccc2C)c1C)C[C@@H](C)O ZINC000012185446 221163811 /nfs/dbraw/zinc/16/38/11/221163811.db2.gz VJILNGIJTZUZLT-QGZVFWFLSA-N 1 1 383.561 4.550 40 0 GJABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]1 ZINC000329045505 570214876 /nfs/dbraw/zinc/21/48/76/570214876.db2.gz TVYGKEQYWMADDK-INIZCTEOSA-N 1 1 380.536 4.571 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1 ZINC000020452959 570257753 /nfs/dbraw/zinc/25/77/53/570257753.db2.gz HWAISUSDMGXSNL-UHFFFAOYSA-N 1 1 395.506 4.896 40 0 GJABMO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000107249619 570309003 /nfs/dbraw/zinc/30/90/03/570309003.db2.gz VGBVRAUDLWKVSQ-WIOPSUGQSA-N 1 1 397.522 4.667 40 0 GJABMO Cc1[nH+]c(N2CCCC2)ccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218950 570318050 /nfs/dbraw/zinc/31/80/50/570318050.db2.gz ACLUASSSZBENTC-NRFANRHFSA-N 1 1 379.504 4.854 40 0 GJABMO O=C(CCCSc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000222684416 570420691 /nfs/dbraw/zinc/42/06/91/570420691.db2.gz RCXGOTPBUOMQMV-UHFFFAOYSA-N 1 1 388.964 4.557 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000035289479 570454666 /nfs/dbraw/zinc/45/46/66/570454666.db2.gz JPAWITYARRVPMB-SEJPIABJSA-N 1 1 395.572 4.567 40 0 GJABMO Cc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000223488001 570468165 /nfs/dbraw/zinc/46/81/65/570468165.db2.gz SIRJPPKBGNFVKI-PZJWPPBQSA-N 1 1 382.523 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385.920 4.800 40 0 GJABMO COc1ccc(CNc2c(-c3ccc(O)cc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000004848488 570634910 /nfs/dbraw/zinc/63/49/10/570634910.db2.gz BKQAJGVGRZBFRN-UHFFFAOYSA-N 1 1 379.847 4.981 40 0 GJABMO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260814660 570707833 /nfs/dbraw/zinc/70/78/33/570707833.db2.gz MDPDBGFGXVIWJR-LJQANCHMSA-N 1 1 388.552 4.618 40 0 GJABMO Cc1nc(C)c(C[N@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100595 570924895 /nfs/dbraw/zinc/92/48/95/570924895.db2.gz OZFAVUAHRUVFPS-QFIPXVFZSA-N 1 1 389.609 4.687 40 0 GJABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)s1 ZINC000585100734 570925292 /nfs/dbraw/zinc/92/52/92/570925292.db2.gz UYFFINDMWBNBDM-HSZRJFAPSA-N 1 1 397.588 4.616 40 0 GJABMO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](CC4CCCCC4)C[C@@H]32)o1 ZINC000585109711 570938261 /nfs/dbraw/zinc/93/82/61/570938261.db2.gz KHVSPNIJPLEAOZ-QNWVGRARSA-N 1 1 378.516 4.668 40 0 GJABMO Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCC2)c1 ZINC000019235063 570965636 /nfs/dbraw/zinc/96/56/36/570965636.db2.gz ANOMVNABOWKRNH-VABKMULXSA-N 1 1 394.584 4.673 40 0 GJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2CC2CCCCC2)c1C ZINC000019558536 571004446 /nfs/dbraw/zinc/00/44/46/571004446.db2.gz NTPJRHNXMYLMFC-IBGZPJMESA-N 1 1 383.540 4.532 40 0 GJABMO COCCn1cc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c2ccccc21 ZINC000019594209 571020280 /nfs/dbraw/zinc/02/02/80/571020280.db2.gz QSRJJKWNUIZZLQ-IBGZPJMESA-N 1 1 397.569 4.879 40 0 GJABMO Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000019691037 571029240 /nfs/dbraw/zinc/02/92/40/571029240.db2.gz JCEPYWVKCAIMCG-DEOSSOPVSA-N 1 1 395.510 4.920 40 0 GJABMO Cc1[nH]c2c(c1CC(=O)Nc1ccccc1Cn1cc[nH+]c1C)c(C)ccc2C ZINC000019716879 571039002 /nfs/dbraw/zinc/03/90/02/571039002.db2.gz YNUWPDPIHWAJLR-UHFFFAOYSA-N 1 1 386.499 4.828 40 0 GJABMO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328961949 571047345 /nfs/dbraw/zinc/04/73/45/571047345.db2.gz BFXJRTPIAUNMKI-UHFFFAOYSA-N 1 1 395.304 4.854 40 0 GJABMO Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2CC2CCCCC2)c1C ZINC000019558539 210263953 /nfs/dbraw/zinc/26/39/53/210263953.db2.gz NTPJRHNXMYLMFC-LJQANCHMSA-N 1 1 383.540 4.532 40 0 GJABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC ZINC000019531801 210259012 /nfs/dbraw/zinc/25/90/12/210259012.db2.gz BPFAWRYIYYIWST-GOSISDBHSA-N 1 1 379.504 4.658 40 0 GJABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 ZINC000019524554 210257325 /nfs/dbraw/zinc/25/73/25/210257325.db2.gz PWBKIDWPADOXIX-JOCHJYFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 ZINC000019524554 210257330 /nfs/dbraw/zinc/25/73/30/210257330.db2.gz PWBKIDWPADOXIX-JOCHJYFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C ZINC000019523954 210256161 /nfs/dbraw/zinc/25/61/61/210256161.db2.gz WEWUPYBJMYUQJG-JOCHJYFZSA-N 1 1 394.519 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ZINC000005162460 204116628 /nfs/dbraw/zinc/11/66/28/204116628.db2.gz MVSZIESXWTZSRG-QDSKXPNFSA-N 1 1 399.506 4.711 40 0 GJABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000012134972 204373851 /nfs/dbraw/zinc/37/38/51/204373851.db2.gz YVEZDQHLESTJLM-XEWABKELSA-N 1 1 377.315 4.508 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1OC(C)C ZINC000012345621 204398487 /nfs/dbraw/zinc/39/84/87/204398487.db2.gz AXKHCVZFKKORAV-QRQCMCJISA-N 1 1 399.506 4.636 40 0 GJABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835068 205041320 /nfs/dbraw/zinc/04/13/20/205041320.db2.gz VMJPMPVQETUMCV-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835068 205041325 /nfs/dbraw/zinc/04/13/25/205041325.db2.gz VMJPMPVQETUMCV-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330596 205326786 /nfs/dbraw/zinc/32/67/86/205326786.db2.gz 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COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(OC)c3)C2)cc1 ZINC000072358400 211099110 /nfs/dbraw/zinc/09/91/10/211099110.db2.gz PZWVZKBUOJUFJV-FQEVSTJZSA-N 1 1 389.499 4.540 40 0 GJABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n1 ZINC000072355477 211098780 /nfs/dbraw/zinc/09/87/80/211098780.db2.gz UCEIBXLXBUTULG-NRFANRHFSA-N 1 1 389.547 4.598 40 0 GJABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072358386 211098243 /nfs/dbraw/zinc/09/82/43/211098243.db2.gz WVPDJPDOEZMFIH-GOSISDBHSA-N 1 1 377.463 4.671 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072350250 211097296 /nfs/dbraw/zinc/09/72/96/211097296.db2.gz UNBZRYQPBGWDAL-LJQANCHMSA-N 1 1 376.479 4.620 40 0 GJABMO Cc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718209 136153876 /nfs/dbraw/zinc/15/38/76/136153876.db2.gz DVDOBZIIFOFVAV-HDICACEKSA-N 1 1 375.516 4.931 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1[C@@H](C)CC(=O)C3 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ILRPUAQKQAGJGT-UHFFFAOYSA-N 1 1 388.898 4.868 40 0 GJABMO CCOc1cc(CNCC[NH+](C)C)ccc1OCc1ccc(Cl)cc1Cl ZINC000022075391 570305381 /nfs/dbraw/zinc/30/53/81/570305381.db2.gz MKFHRHJZNOLRHQ-UHFFFAOYSA-N 1 1 397.346 4.622 40 0 GJABMO COc1ccc(C[N@H+]2C[C@H]3C[C@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000057731828 570371547 /nfs/dbraw/zinc/37/15/47/570371547.db2.gz MJHIRDUYWMUNHY-UEVCKROQSA-N 1 1 382.935 4.760 40 0 GJABMO COc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000057731828 570371553 /nfs/dbraw/zinc/37/15/53/570371553.db2.gz MJHIRDUYWMUNHY-UEVCKROQSA-N 1 1 382.935 4.760 40 0 GJABMO COc1ccc(CN2C[C@H]3C[C@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@@]34C2)cc1 ZINC000057731828 570371556 /nfs/dbraw/zinc/37/15/56/570371556.db2.gz MJHIRDUYWMUNHY-UEVCKROQSA-N 1 1 382.935 4.760 40 0 GJABMO Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1C ZINC000035289090 570453166 /nfs/dbraw/zinc/45/31/66/570453166.db2.gz UCOYJYRURKASEM-SEJPIABJSA-N 1 1 379.573 4.785 40 0 GJABMO Cc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000034387766 570533337 /nfs/dbraw/zinc/53/33/37/570533337.db2.gz VRLCIZMQEFOIJA-YVNJGZBMSA-N 1 1 381.589 4.587 40 0 GJABMO COc1cc(C)c(C[N@@H+](CCCn2ccnc2)Cc2ccccc2F)cc1C ZINC000036740379 570568708 /nfs/dbraw/zinc/56/87/08/570568708.db2.gz FNHCNRYAWCNYHY-UHFFFAOYSA-N 1 1 381.495 4.740 40 0 GJABMO O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848661 570587196 /nfs/dbraw/zinc/58/71/96/570587196.db2.gz YLCOPMBCKHQKBV-INIZCTEOSA-N 1 1 395.305 4.661 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccc3ccccc3c21 ZINC000039226873 570589628 /nfs/dbraw/zinc/58/96/28/570589628.db2.gz CJDFNWDJTQEIHG-UHFFFAOYSA-N 1 1 375.443 4.979 40 0 GJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225688815 570603316 /nfs/dbraw/zinc/60/33/16/570603316.db2.gz ADCBJVWJXQDTNH-CVDCTZTESA-N 1 1 390.568 4.720 40 0 GJABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699138 570605501 /nfs/dbraw/zinc/60/55/01/570605501.db2.gz PHJVMOVURMATTA-XXBNENTESA-N 1 1 390.568 4.721 40 0 GJABMO COc1ccc(C(C)(C)C)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012135122 570614120 /nfs/dbraw/zinc/61/41/20/570614120.db2.gz JZIZAFMPKVRZTL-KEVCNVLYSA-N 1 1 394.559 4.507 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000044855283 570636770 /nfs/dbraw/zinc/63/67/70/570636770.db2.gz JOBUPJDUXIJTPT-OAQYLSRUSA-N 1 1 389.499 4.580 40 0 GJABMO CCc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004856772 570638440 /nfs/dbraw/zinc/63/84/40/570638440.db2.gz GBWQJXIOSXCDEM-FRIKZZABSA-N 1 1 379.573 4.731 40 0 GJABMO COC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCCC1 ZINC000260816903 570708562 /nfs/dbraw/zinc/70/85/62/570708562.db2.gz RRQOBYREHLJHKT-LJQANCHMSA-N 1 1 388.552 4.618 40 0 GJABMO C[C@H](O)C[N@@H+](Cc1ccc(-c2ccc(F)cc2)cc1)Cc1ccc2c(c1)OCO2 ZINC000013991957 570868995 /nfs/dbraw/zinc/86/89/95/570868995.db2.gz YKNVHOYEWODJAT-KRWDZBQOSA-N 1 1 393.458 4.604 40 0 GJABMO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108046 570939725 /nfs/dbraw/zinc/93/97/25/570939725.db2.gz XOMRSLXDYZPEBI-ZHHKINOHSA-N 1 1 386.967 4.557 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081711 570956339 /nfs/dbraw/zinc/95/63/39/570956339.db2.gz LRGFKSWVIAQCKE-FYYLOGMGSA-N 1 1 393.575 4.772 40 0 GJABMO Cc1ccc(-c2nnc(C3CC[NH+](Cc4cccc(F)c4F)CC3)o2)s1 ZINC000019217855 570962380 /nfs/dbraw/zinc/96/23/80/570962380.db2.gz VKWNKDSJMSEJNF-UHFFFAOYSA-N 1 1 375.444 4.764 40 0 GJABMO O=c1oc2ccc(Cl)cc2n1[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000019376327 570982273 /nfs/dbraw/zinc/98/22/73/570982273.db2.gz AYIMCDUANAPSQZ-SFHVURJKSA-N 1 1 393.874 4.633 40 0 GJABMO Clc1cc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc2c1OCO2 ZINC000019406517 570983309 /nfs/dbraw/zinc/98/33/09/570983309.db2.gz LIIWOPDIQYGVNT-CQSZACIVSA-N 1 1 378.906 4.660 40 0 GJABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC(C)C ZINC000019450766 570985132 /nfs/dbraw/zinc/98/51/32/570985132.db2.gz XACCGWRZEZBWIL-LJQANCHMSA-N 1 1 379.504 4.738 40 0 GJABMO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745315 570992865 /nfs/dbraw/zinc/99/28/65/570992865.db2.gz UWADVROSAKPYEC-FGCOXFRFSA-N 1 1 382.592 4.758 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1OC ZINC000019561527 571005913 /nfs/dbraw/zinc/00/59/13/571005913.db2.gz LROCDYRHQJVZLH-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1OC ZINC000019561527 571005914 /nfs/dbraw/zinc/00/59/14/571005914.db2.gz LROCDYRHQJVZLH-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564321 571007068 /nfs/dbraw/zinc/00/70/68/571007068.db2.gz KIYMCDCOIWLGHE-AWEZNQCLSA-N 1 1 375.394 4.988 40 0 GJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000019714573 571036077 /nfs/dbraw/zinc/03/60/77/571036077.db2.gz SJPUAQGMCCJSQD-HXUWFJFHSA-N 1 1 375.516 4.779 40 0 GJABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564372 210266134 /nfs/dbraw/zinc/26/61/34/210266134.db2.gz PHJCMCLWVSAODZ-CQSZACIVSA-N 1 1 387.430 4.857 40 0 GJABMO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408610701 231078841 /nfs/dbraw/zinc/07/88/41/231078841.db2.gz ROEIWOOYQMQPFS-SFHVURJKSA-N 1 1 389.326 4.656 40 0 GJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000019081667 210225258 /nfs/dbraw/zinc/22/52/58/210225258.db2.gz PXJPLGCQULKLAG-GUDVDZBRSA-N 1 1 388.602 4.672 40 0 GJABMO C[N@@H+]1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)C[C@@H]1CC2 ZINC000004076194 204026261 /nfs/dbraw/zinc/02/62/61/204026261.db2.gz CYJGIDCBUJBZAX-RTWAWAEBSA-N 1 1 380.919 4.775 40 0 GJABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000004882367 204085894 /nfs/dbraw/zinc/08/58/94/204085894.db2.gz FDCPAJMDKGYAQB-SEJPIABJSA-N 1 1 393.531 4.793 40 0 GJABMO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000035289092 204148312 /nfs/dbraw/zinc/14/83/12/204148312.db2.gz YWXMVOUIRFGRES-FRIKZZABSA-N 1 1 379.573 4.785 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000044918621 205091344 /nfs/dbraw/zinc/09/13/44/205091344.db2.gz JRTWPQZASLBWHL-PGRDOPGGSA-N 1 1 392.543 4.951 40 0 GJABMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000044932265 205091369 /nfs/dbraw/zinc/09/13/69/205091369.db2.gz ZBUXUXBPHSKZFJ-IBGZPJMESA-N 1 1 380.532 4.636 40 0 GJABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072358897 205334269 /nfs/dbraw/zinc/33/42/69/205334269.db2.gz PHVMGSBAVAVVDI-OAQYLSRUSA-N 1 1 387.527 4.964 40 0 GJABMO Fc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1 ZINC000072369967 205336652 /nfs/dbraw/zinc/33/66/52/205336652.db2.gz HIILOTCVBLTGSW-HNNXBMFYSA-N 1 1 391.368 4.884 40 0 GJABMO O=C(OCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000079438711 205382932 /nfs/dbraw/zinc/38/29/32/205382932.db2.gz PBVXAIKUVNEOID-QGZVFWFLSA-N 1 1 378.299 4.949 40 0 GJABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225607579 206060404 /nfs/dbraw/zinc/06/04/04/206060404.db2.gz IMMUUUFMRMEUBZ-CVDCTZTESA-N 1 1 390.568 4.720 40 0 GJABMO COc1cccc(-c2nn(CC3CC3)c3c2[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2C3)c1 ZINC000096145661 211309491 /nfs/dbraw/zinc/30/94/91/211309491.db2.gz DZYKWMPUULGQEB-GGAORHGYSA-N 1 1 399.538 4.740 40 0 GJABMO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](CC[C@H](C)c3ccc(C)o3)C2)on1 ZINC000072396704 211111724 /nfs/dbraw/zinc/11/17/24/211111724.db2.gz GYYQDWYCEHWADR-BBRMVZONSA-N 1 1 386.521 4.776 40 0 GJABMO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c1 ZINC000072359402 211101235 /nfs/dbraw/zinc/10/12/35/211101235.db2.gz QFFMXPQCCWEANL-SFHVURJKSA-N 1 1 398.432 4.937 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350246 211097490 /nfs/dbraw/zinc/09/74/90/211097490.db2.gz XLKAIZQKKYPVMT-LJQANCHMSA-N 1 1 376.479 4.620 40 0 GJABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353199 211097282 /nfs/dbraw/zinc/09/72/82/211097282.db2.gz YIDIBYUEDGTZRQ-QFIPXVFZSA-N 1 1 390.535 4.952 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000057712771 136153959 /nfs/dbraw/zinc/15/39/59/136153959.db2.gz ZBIDQNJBZNLZBD-UHFFFAOYSA-N 1 1 391.515 4.775 40 0 GJABMO CCc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712647 535828638 /nfs/dbraw/zinc/82/86/38/535828638.db2.gz VUDYQIKSTOWBHA-QGZVFWFLSA-N 1 1 375.516 4.939 40 0 GJABMO CCc1ccc2cc(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712647 535828644 /nfs/dbraw/zinc/82/86/44/535828644.db2.gz VUDYQIKSTOWBHA-QGZVFWFLSA-N 1 1 375.516 4.939 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1[C@H](C)CC(=O)C3 ZINC000253504567 560037797 /nfs/dbraw/zinc/03/77/97/560037797.db2.gz HLKCYOOWMVLNED-LRVLYQPQSA-N 1 1 391.511 4.601 40 0 biogenic,in-vitro GJABMO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329029686 570213874 /nfs/dbraw/zinc/21/38/74/570213874.db2.gz QAEBHFQZZNXHKC-MRXNPFEDSA-N 1 1 382.552 4.601 40 0 GJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253052 570251580 /nfs/dbraw/zinc/25/15/80/570251580.db2.gz FAACTDGNFHHGQS-XWGVYQGASA-N 1 1 399.506 4.711 40 0 GJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072219215 570318157 /nfs/dbraw/zinc/31/81/57/570318157.db2.gz PKZXVKVKPNZGGY-NRFANRHFSA-N 1 1 379.504 4.854 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000022526547 570320448 /nfs/dbraw/zinc/32/04/48/570320448.db2.gz UBYIZULWXNQVOX-KRWDZBQOSA-N 1 1 391.515 4.562 40 0 GJABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1C(=O)Nc1ccccc1C(F)(F)F ZINC000057729375 570371242 /nfs/dbraw/zinc/37/12/42/570371242.db2.gz HXIVOOXRMGYHAP-GOSISDBHSA-N 1 1 395.425 4.673 40 0 GJABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1C(=O)Nc1ccccc1C(F)(F)F 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388.914 4.611 40 0 GJABMO O=C(NCCSC1CCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225332531 570565160 /nfs/dbraw/zinc/56/51/60/570565160.db2.gz VLOWOWVSJDOWLZ-UHFFFAOYSA-N 1 1 394.584 4.651 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C ZINC000036752958 570570094 /nfs/dbraw/zinc/57/00/94/570570094.db2.gz QKKVOJSJXZIHFN-QFIPXVFZSA-N 1 1 379.479 4.725 40 0 GJABMO C[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934199 570643742 /nfs/dbraw/zinc/64/37/42/570643742.db2.gz HCCOJDPBBZNPGW-AWEZNQCLSA-N 1 1 392.877 4.708 40 0 GJABMO Cc1ccc(C(=O)N2CCc3cc(C(=O)[C@@H](C)[NH+]4CCC(C)CC4)ccc32)cc1 ZINC000004993884 570650586 /nfs/dbraw/zinc/65/05/86/570650586.db2.gz LZJTUSUNOMNOMJ-LJQANCHMSA-N 1 1 390.527 4.501 40 0 GJABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816719 570707187 /nfs/dbraw/zinc/70/71/87/570707187.db2.gz NSTWCSJPGHITCT-WMZHIEFXSA-N 1 1 390.568 4.721 40 0 GJABMO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812467 570707224 /nfs/dbraw/zinc/70/72/24/570707224.db2.gz BZNMRHAHOPRWJI-WMZHIEFXSA-N 1 1 390.568 4.577 40 0 GJABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000260922448 570714495 /nfs/dbraw/zinc/71/44/95/570714495.db2.gz GSWWDFXTXDVUCL-OALUTQOASA-N 1 1 376.544 4.898 40 0 GJABMO O=C(NCCCc1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013668330 570770063 /nfs/dbraw/zinc/77/00/63/570770063.db2.gz ADIYXBLBXFHTPR-UHFFFAOYSA-N 1 1 384.523 4.608 40 0 GJABMO Cc1ccc(C(=O)N2CCC[C@@]3(CCC[N@H+]3Cc3cc(F)ccc3F)CC2)o1 ZINC000585100352 570924504 /nfs/dbraw/zinc/92/45/04/570924504.db2.gz GDGUIBIOAVFBQM-JOCHJYFZSA-N 1 1 388.458 4.527 40 0 GJABMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cc3cc(OC)ccc3[nH]2)CC1 ZINC000019526648 210256477 /nfs/dbraw/zinc/25/64/77/210256477.db2.gz VCHZJGCOPGQPBB-UHFFFAOYSA-N 1 1 377.532 4.663 40 0 GJABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000019524920 210255943 /nfs/dbraw/zinc/25/59/43/210255943.db2.gz JMPYGEJANCLVON-OAQYLSRUSA-N 1 1 380.492 4.684 40 0 GJABMO Cc1csc([C@H](Cc2cccs2)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000019240073 210235296 /nfs/dbraw/zinc/23/52/96/210235296.db2.gz PWYZIASVPZIZIL-HNNXBMFYSA-N 1 1 392.933 4.969 40 0 GJABMO CCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000004882383 204086213 /nfs/dbraw/zinc/08/62/13/204086213.db2.gz CYLXYPXMRXCLCA-FRIKZZABSA-N 1 1 393.531 4.793 40 0 GJABMO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257239823 212008206 /nfs/dbraw/zinc/00/82/06/212008206.db2.gz HQXYVCDRCJLMDB-LJQANCHMSA-N 1 1 379.895 4.996 40 0 GJABMO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257239823 212008210 /nfs/dbraw/zinc/00/82/10/212008210.db2.gz HQXYVCDRCJLMDB-LJQANCHMSA-N 1 1 379.895 4.996 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc(Br)c3)cc2)C1 ZINC000038833965 205038362 /nfs/dbraw/zinc/03/83/62/205038362.db2.gz RMPAKOIEQZXBLS-HNNXBMFYSA-N 1 1 387.321 4.933 40 0 GJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cccc2cccnc21 ZINC000043277800 205084130 /nfs/dbraw/zinc/08/41/30/205084130.db2.gz AYCUBGDKPDSQFQ-UHFFFAOYSA-N 1 1 386.499 4.532 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 ZINC000044854401 205088414 /nfs/dbraw/zinc/08/84/14/205088414.db2.gz HCAPRIOIMSJHPI-SFHVURJKSA-N 1 1 375.516 4.726 40 0 GJABMO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072350654 205332390 /nfs/dbraw/zinc/33/23/90/205332390.db2.gz NMUKASUATLUVPG-NRFANRHFSA-N 1 1 389.547 4.598 40 0 GJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)cc1 ZINC000072358106 205334449 /nfs/dbraw/zinc/33/44/49/205334449.db2.gz BHLVVDLWZGGNKP-RUZDIDTESA-N 1 1 385.511 4.968 40 0 GJABMO CCn1cc(C[N@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)cn1 ZINC000072372463 205338687 /nfs/dbraw/zinc/33/86/87/205338687.db2.gz HOWZKFOSCNPMHE-DEOSSOPVSA-N 1 1 390.531 4.543 40 0 GJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccc(F)cc2)Cc2ccccc2F)on1 ZINC000072395081 205344013 /nfs/dbraw/zinc/34/40/13/205344013.db2.gz BJOVDWJEFNYQFN-AUSIDOKSSA-N 1 1 398.453 4.521 40 0 GJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(F)cc2)Cc2ccccc2F)on1 ZINC000072395081 205344016 /nfs/dbraw/zinc/34/40/16/205344016.db2.gz BJOVDWJEFNYQFN-AUSIDOKSSA-N 1 1 398.453 4.521 40 0 GJABMO O=C(NCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224537761 206022046 /nfs/dbraw/zinc/02/20/46/206022046.db2.gz QLDMWEDLJVAHNQ-UHFFFAOYSA-N 1 1 381.347 4.822 40 0 GJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(Br)c(C)c1 ZINC000225581690 206058845 /nfs/dbraw/zinc/05/88/45/206058845.db2.gz KYYRESDMIFGMHX-MRXNPFEDSA-N 1 1 398.414 4.699 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257296319 206175325 /nfs/dbraw/zinc/17/53/25/206175325.db2.gz RCFNPXSGKPSHNM-LJQANCHMSA-N 1 1 386.499 4.899 40 0 GJABMO Cc1ccc(C)c(N(CC(=O)c2ccc3c(c2)OCCO3)C2=[NH+]CCCCC2)c1 ZINC000008410758 206224217 /nfs/dbraw/zinc/22/42/17/206224217.db2.gz DJDARJWQDUUOQC-UHFFFAOYSA-N 1 1 392.499 4.736 40 0 GJABMO O=C([C@@H]1CCC[N@H+](Cc2ccccc2F)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004745024 206214788 /nfs/dbraw/zinc/21/47/88/206214788.db2.gz WMWDKSUEACMBLJ-HSZRJFAPSA-N 1 1 394.534 4.519 40 0 GJABMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000113952672 211468953 /nfs/dbraw/zinc/46/89/53/211468953.db2.gz LGPYBRNVFMPDOJ-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072358898 211101003 /nfs/dbraw/zinc/10/10/03/211101003.db2.gz PHVMGSBAVAVVDI-NRFANRHFSA-N 1 1 387.527 4.964 40 0 GJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000072330597 211091616 /nfs/dbraw/zinc/09/16/16/211091616.db2.gz YJEJBOYWILOFSN-UGKGYDQZSA-N 1 1 397.950 4.605 40 0 GJABMO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020450554 210336000 /nfs/dbraw/zinc/33/60/00/210336000.db2.gz TZEPNDJWXDRQSY-LJQANCHMSA-N 1 1 396.600 4.890 40 0 GJABMO Cc1ccccc1CSCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020450556 210335071 /nfs/dbraw/zinc/33/50/71/210335071.db2.gz TZEPNDJWXDRQSY-IBGZPJMESA-N 1 1 396.600 4.890 40 0 GJABMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC ZINC000019658409 210278300 /nfs/dbraw/zinc/27/83/00/210278300.db2.gz XOZSRFVHVNYKPZ-NRFANRHFSA-N 1 1 389.499 4.806 40 0 GJABMO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC4CC4)C=C3C)[nH]c2c1 ZINC000077262162 560046686 /nfs/dbraw/zinc/04/66/86/560046686.db2.gz QHMAEEPXIOPHFY-ZJOUEHCJSA-N 1 1 381.564 4.968 40 0 biogenic,in-vitro GJABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4c[nH]c5ccccc45)C3)o2)cc1 ZINC000049169422 560084351 /nfs/dbraw/zinc/08/43/51/560084351.db2.gz VOBCIZMIGVQRET-HNNXBMFYSA-N 1 1 378.863 4.861 40 0 biogenic,in-vitro GJABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)c1 ZINC000585270877 570239135 /nfs/dbraw/zinc/23/91/35/570239135.db2.gz CGFOVYZNEAJDPG-HSZRJFAPSA-N 1 1 398.934 4.926 40 0 GJABMO Cc1cc(N2CCCC2)[nH+]cc1[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000072218891 570318205 /nfs/dbraw/zinc/31/82/05/570318205.db2.gz FAYONVJBHRZOLM-OAQYLSRUSA-N 1 1 379.504 4.854 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 ZINC000022523046 570320120 /nfs/dbraw/zinc/32/01/20/570320120.db2.gz NUVFLILMTFJEEM-XQNSMLJCSA-N 1 1 383.451 4.631 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1 ZINC000022526543 570320577 /nfs/dbraw/zinc/32/05/77/570320577.db2.gz UBYIZULWXNQVOX-QGZVFWFLSA-N 1 1 391.515 4.562 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(F)c2)C3)cc1 ZINC000004887958 570421403 /nfs/dbraw/zinc/42/14/03/570421403.db2.gz SGLJFUYVBSASKN-SEJPIABJSA-N 1 1 397.494 4.542 40 0 GJABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039766243 570446188 /nfs/dbraw/zinc/44/61/88/570446188.db2.gz BXCNZNCZGHADMO-UHFFFAOYSA-N 1 1 381.278 4.983 40 0 GJABMO CC[C@H](NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1)c1ccc2c(c1)CCCC2 ZINC000223140664 570446406 /nfs/dbraw/zinc/44/64/06/570446406.db2.gz HOOOQKDTCSGRIT-DEOSSOPVSA-N 1 1 387.527 5.000 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1Cl ZINC000028220863 570452740 /nfs/dbraw/zinc/45/27/40/570452740.db2.gz WMTWELPEQYKZNJ-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO CCCOC(C(=O)O[C@@H]1CC[C@H]2CC[C@@H]1[N@H+]2C)(c1ccccc1)c1ccccc1 ZINC000005785209 570456391 /nfs/dbraw/zinc/45/63/91/570456391.db2.gz HKGIWDBWRYKYTC-XPWALMASSA-N 1 1 393.527 4.525 40 0 GJABMO O=C(N[C@@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734725 570568654 /nfs/dbraw/zinc/56/86/54/570568654.db2.gz ZXIGFMHJUXKYEJ-GGAORHGYSA-N 1 1 395.522 4.623 40 0 GJABMO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038857372 570588447 /nfs/dbraw/zinc/58/84/47/570588447.db2.gz NJSKAOXAGMFJME-KRWDZBQOSA-N 1 1 377.315 4.522 40 0 GJABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225622929 570595540 /nfs/dbraw/zinc/59/55/40/570595540.db2.gz JJYISHUFBGRJHJ-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225699102 570605589 /nfs/dbraw/zinc/60/55/89/570605589.db2.gz PHJVMOVURMATTA-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccco2)cc1OC ZINC000004848478 570634899 /nfs/dbraw/zinc/63/48/99/570634899.db2.gz TUJMHBNEWGZQDH-UHFFFAOYSA-N 1 1 383.835 4.877 40 0 GJABMO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260772616 570704811 /nfs/dbraw/zinc/70/48/11/570704811.db2.gz VEZJISYRRKDPLK-AWEZNQCLSA-N 1 1 390.578 4.523 40 0 GJABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814750 570707811 /nfs/dbraw/zinc/70/78/11/570707811.db2.gz NBYZTEJFSXBZJX-XXBNENTESA-N 1 1 390.568 4.864 40 0 GJABMO Cc1csc([C@H](Cc2ccsc2)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000019240216 570968789 /nfs/dbraw/zinc/96/87/89/570968789.db2.gz GQMJQYNQXMCLAL-HNNXBMFYSA-N 1 1 392.933 4.969 40 0 GJABMO c1c([C@H]2CCCCC[N@H+]2Cc2cccnc2)noc1-c1ccc2c(c1)OCO2 ZINC000019339166 570977276 /nfs/dbraw/zinc/97/72/76/570977276.db2.gz JFFRDVQIMFKPIG-LJQANCHMSA-N 1 1 377.444 4.583 40 0 GJABMO c1c([C@H]2CCCCC[N@@H+]2Cc2cccnc2)noc1-c1ccc2c(c1)OCO2 ZINC000019339166 570977280 /nfs/dbraw/zinc/97/72/80/570977280.db2.gz JFFRDVQIMFKPIG-LJQANCHMSA-N 1 1 377.444 4.583 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3ccncc3)no2)cc1OC ZINC000019561524 571006079 /nfs/dbraw/zinc/00/60/79/571006079.db2.gz LROCDYRHQJVZLH-FQEVSTJZSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3ccncc3)no2)cc1OC ZINC000019561524 571006082 /nfs/dbraw/zinc/00/60/82/571006082.db2.gz LROCDYRHQJVZLH-FQEVSTJZSA-N 1 1 393.487 4.871 40 0 GJABMO COCCC[N@@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccccn1 ZINC000019593273 571019820 /nfs/dbraw/zinc/01/98/20/571019820.db2.gz FNHSWXMUYQCBGH-UHFFFAOYSA-N 1 1 378.520 4.654 40 0 GJABMO Cc1noc2nc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)cc(C(F)F)c12 ZINC000019564345 210263686 /nfs/dbraw/zinc/26/36/86/210263686.db2.gz ZMLZADDVPYSEKB-AWEZNQCLSA-N 1 1 375.394 4.988 40 0 GJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000019522019 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390.531 4.539 40 0 GJABMO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)n2)s1 ZINC000072375937 211106580 /nfs/dbraw/zinc/10/65/80/211106580.db2.gz DFDAQNQVMCWFAR-GOSISDBHSA-N 1 1 393.560 4.661 40 0 GJABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072353744 211098294 /nfs/dbraw/zinc/09/82/94/211098294.db2.gz YEVMYQHUFABTHL-HXUWFJFHSA-N 1 1 395.510 4.775 40 0 GJABMO CCn1cc(C[N@@H+](C)Cc2cc(-c3ccccc3)cnc2-c2ccncc2)c(C)n1 ZINC000072343215 211095915 /nfs/dbraw/zinc/09/59/15/211095915.db2.gz LKCYTTSXOYSCKO-UHFFFAOYSA-N 1 1 397.526 4.967 40 0 GJABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743195 210291526 /nfs/dbraw/zinc/29/15/26/210291526.db2.gz IBKPMNZOLZLXKD-NRFANRHFSA-N 1 1 396.579 4.724 40 0 GJABMO COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)c1 ZINC000019690428 210281259 /nfs/dbraw/zinc/28/12/59/210281259.db2.gz QQGORJYZGCDKAZ-JOCHJYFZSA-N 1 1 388.515 4.555 40 0 GJABMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2c(C)nc3ccc(Cl)cn32)cc1OC 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570557884 /nfs/dbraw/zinc/55/78/84/570557884.db2.gz XHWQQIQHOPLJDJ-YVNJGZBMSA-N 1 1 381.589 4.587 40 0 GJABMO COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834176 570585862 /nfs/dbraw/zinc/58/58/62/570585862.db2.gz BXQVZZOYOLEEDO-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834176 570585864 /nfs/dbraw/zinc/58/58/64/570585864.db2.gz BXQVZZOYOLEEDO-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000038834245 570585945 /nfs/dbraw/zinc/58/59/45/570585945.db2.gz FXHIJHFHZIPBPJ-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849801 570587694 /nfs/dbraw/zinc/58/76/94/570587694.db2.gz DTRKHABRHYLTMY-HNNXBMFYSA-N 1 1 380.385 4.695 40 0 GJABMO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038853419 570588215 /nfs/dbraw/zinc/58/82/15/570588215.db2.gz QYAMKPCXNLZICQ-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)N1CCCc2ccccc21 ZINC000225582581 570590956 /nfs/dbraw/zinc/59/09/56/570590956.db2.gz QRECZRDRKBMCAO-UHFFFAOYSA-N 1 1 386.898 4.671 40 0 GJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NCCc2ccccc2)cc1OC ZINC000004848458 570634275 /nfs/dbraw/zinc/63/42/75/570634275.db2.gz JBOLLFPXVFLHEJ-UHFFFAOYSA-N 1 1 387.483 4.982 40 0 GJABMO Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)cc1 ZINC000008578447 570681139 /nfs/dbraw/zinc/68/11/39/570681139.db2.gz HQFPUAJGLRNHNO-YQQQUEKLSA-N 1 1 385.602 4.929 40 0 GJABMO C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(-c2cccc(F)c2)c1 ZINC000013991946 570869017 /nfs/dbraw/zinc/86/90/17/570869017.db2.gz IZIWBPAAHSPDMZ-KRWDZBQOSA-N 1 1 393.458 4.604 40 0 GJABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](CCOc4ccc(F)cc4)C3)o2)s1 ZINC000019217600 570962399 /nfs/dbraw/zinc/96/23/99/570962399.db2.gz QSDLMOFGNGXQAQ-OAHLLOKOSA-N 1 1 387.480 4.504 40 0 GJABMO COCc1ccc(OC)c(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240069 570968546 /nfs/dbraw/zinc/96/85/46/570968546.db2.gz JAEDXTQNSKSLTK-GOSISDBHSA-N 1 1 388.558 4.742 40 0 GJABMO c1c([C@@H]2CCCCC[N@H+]2Cc2cccnc2)noc1-c1ccc2c(c1)OCO2 ZINC000019339162 570977161 /nfs/dbraw/zinc/97/71/61/570977161.db2.gz JFFRDVQIMFKPIG-IBGZPJMESA-N 1 1 377.444 4.583 40 0 GJABMO c1c([C@@H]2CCCCC[N@@H+]2Cc2cccnc2)noc1-c1ccc2c(c1)OCO2 ZINC000019339162 570977165 /nfs/dbraw/zinc/97/71/65/570977165.db2.gz JFFRDVQIMFKPIG-IBGZPJMESA-N 1 1 377.444 4.583 40 0 GJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3C3CCSCC3)cc2n1 ZINC000019452352 570985536 /nfs/dbraw/zinc/98/55/36/570985536.db2.gz SHGSXCQWAMEKKP-INIZCTEOSA-N 1 1 398.498 4.904 40 0 GJABMO CCC(=O)N1CCC[C@@H](c2[nH+]c(Nc3ccccc3CC)n3ccsc23)C1 ZINC000019523087 570995406 /nfs/dbraw/zinc/99/54/06/570995406.db2.gz XVJWBSHLLMBFCN-MRXNPFEDSA-N 1 1 382.533 4.818 40 0 GJABMO COc1cc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc(OC)c1 ZINC000019559853 571004898 /nfs/dbraw/zinc/00/48/98/571004898.db2.gz WXANWRUZVMSZNJ-IBGZPJMESA-N 1 1 388.558 4.912 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1OC ZINC000019561521 571005856 /nfs/dbraw/zinc/00/58/56/571005856.db2.gz NRRVDFLSRBYNKW-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1OC ZINC000019561521 571005858 /nfs/dbraw/zinc/00/58/58/571005858.db2.gz NRRVDFLSRBYNKW-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc([C@H]2CCC[N@H+]2Cc2cnc(-c3ccc(C)cc3)nc2)cc1OC ZINC000019658411 571024504 /nfs/dbraw/zinc/02/45/04/571024504.db2.gz XOZSRFVHVNYKPZ-OAQYLSRUSA-N 1 1 389.499 4.806 40 0 GJABMO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691987 571029551 /nfs/dbraw/zinc/02/95/51/571029551.db2.gz FEIJUCICJGXNKR-QFIPXVFZSA-N 1 1 380.923 4.705 40 0 GJABMO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691987 571029553 /nfs/dbraw/zinc/02/95/53/571029553.db2.gz FEIJUCICJGXNKR-QFIPXVFZSA-N 1 1 380.923 4.705 40 0 GJABMO Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503208 575369236 /nfs/dbraw/zinc/36/92/36/575369236.db2.gz VOSKNNGMIJKCSY-ZWKOTPCHSA-N 1 1 376.525 4.505 40 0 biogenic,in-vitro GJABMO Cc1noc2nc([C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc(C(F)F)c12 ZINC000019564316 210264324 /nfs/dbraw/zinc/26/43/24/210264324.db2.gz KIYMCDCOIWLGHE-CQSZACIVSA-N 1 1 375.394 4.988 40 0 GJABMO CCOc1cc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)ccc1OC ZINC000019532139 210258306 /nfs/dbraw/zinc/25/83/06/210258306.db2.gz VHQLWTOYEAFHMI-QGZVFWFLSA-N 1 1 388.558 4.994 40 0 GJABMO C[N@@H+](CC1CCCCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257269556 212013708 /nfs/dbraw/zinc/01/37/08/212013708.db2.gz MQLYKBONAORFAE-UHFFFAOYSA-N 1 1 384.564 4.783 40 0 GJABMO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C(C)C)[nH+]1)C2 ZINC000328963459 209153824 /nfs/dbraw/zinc/15/38/24/209153824.db2.gz BOGYWNUOFLTMJW-UHFFFAOYSA-N 1 1 388.515 4.783 40 0 GJABMO O=C(N[C@@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000036734722 205021591 /nfs/dbraw/zinc/02/15/91/205021591.db2.gz ZXIGFMHJUXKYEJ-GMAHTHKFSA-N 1 1 395.522 4.623 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000038834026 205038693 /nfs/dbraw/zinc/03/86/93/205038693.db2.gz FULQJJMSKPKCFL-HNNXBMFYSA-N 1 1 387.321 4.933 40 0 GJABMO CN(C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000044910228 205091257 /nfs/dbraw/zinc/09/12/57/205091257.db2.gz MEVATSBBIOSZLK-OAHLLOKOSA-N 1 1 377.315 4.868 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358587 205333554 /nfs/dbraw/zinc/33/35/54/205333554.db2.gz DAZKYMHURASUOM-GOSISDBHSA-N 1 1 398.432 4.937 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358394 205334843 /nfs/dbraw/zinc/33/48/43/205334843.db2.gz ZFEMHVWTPHHAEI-SFHVURJKSA-N 1 1 377.463 4.671 40 0 GJABMO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072376766 205337609 /nfs/dbraw/zinc/33/76/09/205337609.db2.gz YKQDLPLAQVGKAY-HXUWFJFHSA-N 1 1 380.442 4.731 40 0 GJABMO CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000072376603 205338138 /nfs/dbraw/zinc/33/81/38/205338138.db2.gz ORALPPFYWUVJMJ-NRFANRHFSA-N 1 1 376.479 4.686 40 0 GJABMO c1ccc(Nc2cncc([C@@H]3CCC[N@@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072376333 205338576 /nfs/dbraw/zinc/33/85/76/205338576.db2.gz GYEHXNYYPGMDFM-NRFANRHFSA-N 1 1 382.471 4.501 40 0 GJABMO c1ccc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377985 205340114 /nfs/dbraw/zinc/34/01/14/205340114.db2.gz ROYZPIAPKIFZKR-FQEVSTJZSA-N 1 1 396.498 4.543 40 0 GJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000224411509 206020716 /nfs/dbraw/zinc/02/07/16/206020716.db2.gz RUIBWTRAOHIMJI-IFMALSPDSA-N 1 1 398.522 4.622 40 0 GJABMO O=C(NCC1CCCCC1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000224544077 206022464 /nfs/dbraw/zinc/02/24/64/206022464.db2.gz DSRMWQKHQBBRSB-UHFFFAOYSA-N 1 1 383.363 4.902 40 0 GJABMO Cc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583970 206059262 /nfs/dbraw/zinc/05/92/62/206059262.db2.gz XJVFEXZSMIVEDW-UHFFFAOYSA-N 1 1 388.914 4.658 40 0 GJABMO Fc1cccc(N[C@@H]2CC[N@@H+](Cc3nccs3)C[C@@H]2Cc2ccccc2)c1 ZINC000257319335 206177594 /nfs/dbraw/zinc/17/75/94/206177594.db2.gz VRYBNGACBSKECZ-GHTZIAJQSA-N 1 1 381.520 4.828 40 0 GJABMO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257239822 206164128 /nfs/dbraw/zinc/16/41/28/206164128.db2.gz HQXYVCDRCJLMDB-IBGZPJMESA-N 1 1 379.895 4.996 40 0 GJABMO Clc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(Nc3cnccn3)nc2)cc1 ZINC000257239822 206164132 /nfs/dbraw/zinc/16/41/32/206164132.db2.gz HQXYVCDRCJLMDB-IBGZPJMESA-N 1 1 379.895 4.996 40 0 GJABMO Cc1ccc(C(=O)N2CCC[C@@H]2c2[nH+]cn3cc(-c4cccnc4)ccc23)s1 ZINC000306136869 206204067 /nfs/dbraw/zinc/20/40/67/206204067.db2.gz QFHUTEIZBMAZLZ-LJQANCHMSA-N 1 1 388.496 4.744 40 0 GJABMO COc1ccc(C(=O)CN(c2ccc(C)cc2)C2=[NH+]CCCCC2)cc1OC ZINC000008411699 206224248 /nfs/dbraw/zinc/22/42/48/206224248.db2.gz ODCVSFJQZAXINL-UHFFFAOYSA-N 1 1 380.488 4.674 40 0 GJABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370502 211102294 /nfs/dbraw/zinc/10/22/94/211102294.db2.gz GFRMZHNFCAKEGM-HNNXBMFYSA-N 1 1 399.585 4.623 40 0 GJABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)nc1 ZINC000072377986 211106556 /nfs/dbraw/zinc/10/65/56/211106556.db2.gz CQCXVNYCFQAMPK-QFIPXVFZSA-N 1 1 396.498 4.809 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350256 211097792 /nfs/dbraw/zinc/09/77/92/211097792.db2.gz LJZVPZIRWYZCIP-IBGZPJMESA-N 1 1 388.515 4.574 40 0 GJABMO Cc1onc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C[NH+](C)C ZINC000019714775 210286727 /nfs/dbraw/zinc/28/67/27/210286727.db2.gz KMCZCGQAXSYNTI-UHFFFAOYSA-N 1 1 392.484 4.574 40 0 GJABMO CCN(Cc1cc2ccc(OC)cc2[nH]c1=O)c1ccc([NH+]2CCCCC2)cc1 ZINC000057719722 136153777 /nfs/dbraw/zinc/15/37/77/136153777.db2.gz DCEMYCINOLWCPR-UHFFFAOYSA-N 1 1 391.515 4.554 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136428 222138899 /nfs/dbraw/zinc/13/88/99/222138899.db2.gz UYYRGUHHPKHWTR-IBGZPJMESA-N 1 1 390.449 4.576 40 0 GJABMO CCc1ccc2cc(CNc3ccc([NH+]4CCC(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000057712729 535828364 /nfs/dbraw/zinc/82/83/64/535828364.db2.gz ZQNBNKIGZJVABY-UHFFFAOYSA-N 1 1 375.516 4.939 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1[C@H](C)CC(=O)C3 ZINC000253504571 560037821 /nfs/dbraw/zinc/03/78/21/560037821.db2.gz HLKCYOOWMVLNED-YBVULOPDSA-N 1 1 391.511 4.601 40 0 biogenic,in-vitro GJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1F ZINC000035446683 560079425 /nfs/dbraw/zinc/07/94/25/560079425.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 1 1 381.348 4.849 40 0 biogenic,in-vitro GJABMO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1F ZINC000035446683 560079427 /nfs/dbraw/zinc/07/94/27/560079427.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 1 1 381.348 4.849 40 0 biogenic,in-vitro GJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1F ZINC000035446683 560079429 /nfs/dbraw/zinc/07/94/29/560079429.db2.gz DYTMRDALWIKGHQ-LBPRGKRZSA-N 1 1 381.348 4.849 40 0 biogenic,in-vitro GJABMO FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169284 560084872 /nfs/dbraw/zinc/08/48/72/560084872.db2.gz SMPIOQDFIZFILQ-INIZCTEOSA-N 1 1 389.377 4.625 40 0 biogenic,in-vitro GJABMO CO[C@]1(COc2ccccc2F)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270084 570238835 /nfs/dbraw/zinc/23/88/35/570238835.db2.gz DTXWDZPQVCBUKL-HSZRJFAPSA-N 1 1 382.479 4.757 40 0 GJABMO CCCCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000020969483 570288746 /nfs/dbraw/zinc/28/87/46/570288746.db2.gz AVHUJUFZXPEHRZ-UHFFFAOYSA-N 1 1 385.939 4.791 40 0 GJABMO CCOc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000216226404 570297156 /nfs/dbraw/zinc/29/71/56/570297156.db2.gz UIEFKIYGYCXTTQ-MOPGFXCFSA-N 1 1 380.532 4.808 40 0 GJABMO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000216428433 570301695 /nfs/dbraw/zinc/30/16/95/570301695.db2.gz WMTIGCFJCCTHTA-QHCPKHFHSA-N 1 1 399.494 4.808 40 0 GJABMO CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000216463572 570302076 /nfs/dbraw/zinc/30/20/76/570302076.db2.gz TWYOXYUIWIIMBY-HKUYNNGSSA-N 1 1 383.001 4.982 40 0 GJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Cl)c1OCc1ccccc1 ZINC000022075641 570321809 /nfs/dbraw/zinc/32/18/09/570321809.db2.gz IURVRJUJNYKADP-UHFFFAOYSA-N 1 1 390.955 4.749 40 0 GJABMO COc1ccc(C(=O)CN(c2cccc(C)c2C)C2=[NH+]CCCC2)cc1OC ZINC000008415081 570378852 /nfs/dbraw/zinc/37/88/52/570378852.db2.gz PAAHRDMZQNKZDN-UHFFFAOYSA-N 1 1 380.488 4.592 40 0 GJABMO O=C(NCc1ccc2ccccc2c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222813724 570427177 /nfs/dbraw/zinc/42/71/77/570427177.db2.gz LZXUMMJIMHBBLX-QFIPXVFZSA-N 1 1 376.475 4.507 40 0 GJABMO O=C(NCc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222889994 570430221 /nfs/dbraw/zinc/43/02/21/570430221.db2.gz PWBCFIGQVZPCNV-NRFANRHFSA-N 1 1 376.475 4.507 40 0 GJABMO O=C(NCCSC1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852769 570588193 /nfs/dbraw/zinc/58/81/93/570588193.db2.gz QHVBZYCGCWUDLO-GOSISDBHSA-N 1 1 395.012 4.734 40 0 GJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 ZINC000225583492 570591432 /nfs/dbraw/zinc/59/14/32/570591432.db2.gz BUCLWLYDHIKLAU-LJQANCHMSA-N 1 1 389.609 4.949 40 0 GJABMO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cccc(Cl)c2Cl)C3)nc1 ZINC000012135271 570614060 /nfs/dbraw/zinc/61/40/60/570614060.db2.gz YTZBYXFPBQIQNM-QRTHJKPMSA-N 1 1 391.342 4.817 40 0 GJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc3ncccc3c2)s1 ZINC000043277873 570626864 /nfs/dbraw/zinc/62/68/64/570626864.db2.gz ZICZQMXNQXRUEP-UHFFFAOYSA-N 1 1 376.529 4.894 40 0 GJABMO Cc1cccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000044909618 570642502 /nfs/dbraw/zinc/64/25/02/570642502.db2.gz FMOFPIKYUKKZSJ-OAQYLSRUSA-N 1 1 384.951 4.609 40 0 GJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812298 570707381 /nfs/dbraw/zinc/70/73/81/570707381.db2.gz ADCBJVWJXQDTNH-AUSIDOKSSA-N 1 1 390.568 4.720 40 0 GJABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843434 570710313 /nfs/dbraw/zinc/71/03/13/570710313.db2.gz RUIBWTRAOHIMJI-RBBKRZOGSA-N 1 1 398.522 4.622 40 0 GJABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](CCc2ccccc2)CC3)cc1 ZINC000585100187 570924252 /nfs/dbraw/zinc/92/42/52/570924252.db2.gz HJLSLUWUCVUYRC-RUZDIDTESA-N 1 1 376.544 4.585 40 0 GJABMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019289300 570924904 /nfs/dbraw/zinc/92/49/04/570924904.db2.gz YDAJKGRVJMQIJE-QGZVFWFLSA-N 1 1 384.574 4.549 40 0 GJABMO Cc1ccc(CN2C(=O)CC[C@]23CCC[N@@H+](Cc2cccc(F)c2)CC3)cc1 ZINC000585100684 570925143 /nfs/dbraw/zinc/92/51/43/570925143.db2.gz SSXHGYJMWNAPGP-DEOSSOPVSA-N 1 1 380.507 4.681 40 0 GJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349219 570978696 /nfs/dbraw/zinc/97/86/96/570978696.db2.gz ULIUBZCVGLSIEF-ONTIZHBOSA-N 1 1 398.547 4.504 40 0 GJABMO O=C(N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400894 570982771 /nfs/dbraw/zinc/98/27/71/570982771.db2.gz ZXIGFMHJUXKYEJ-JTHBVZDNSA-N 1 1 395.522 4.623 40 0 GJABMO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019503670 570993332 /nfs/dbraw/zinc/99/33/32/570993332.db2.gz XOKFEXSJCJADRV-CQSZACIVSA-N 1 1 396.318 4.501 40 0 GJABMO CCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019503670 570993336 /nfs/dbraw/zinc/99/33/36/570993336.db2.gz XOKFEXSJCJADRV-CQSZACIVSA-N 1 1 396.318 4.501 40 0 GJABMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586152 571015799 /nfs/dbraw/zinc/01/57/99/571015799.db2.gz WDVCJFZGMIFMRZ-LJQANCHMSA-N 1 1 385.895 4.579 40 0 GJABMO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1ccc(C)cn1)OCO2 ZINC000019532525 210258148 /nfs/dbraw/zinc/25/81/48/210258148.db2.gz QGDNXLBMLAQRNO-IBGZPJMESA-N 1 1 396.512 4.653 40 0 GJABMO Cc1csc([C@@H](Cc2ccsc2)[NH2+]Cc2cc3c(c(Cl)c2)OCO3)n1 ZINC000019240215 210235845 /nfs/dbraw/zinc/23/58/45/210235845.db2.gz GQMJQYNQXMCLAL-OAHLLOKOSA-N 1 1 392.933 4.969 40 0 GJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccc(C)cc2)Cc2ccc(F)cc2)on1 ZINC000019210141 210229962 /nfs/dbraw/zinc/22/99/62/210229962.db2.gz JNLTVHAVEMIJMM-ZJSXRUAMSA-N 1 1 394.490 4.690 40 0 GJABMO CC(C)C(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC000019086080 210225777 /nfs/dbraw/zinc/22/57/77/210225777.db2.gz KJXGJFAOFUDSRA-DNVJHFABSA-N 1 1 386.555 4.678 40 0 GJABMO Cc1cccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000013671539 210077603 /nfs/dbraw/zinc/07/76/03/210077603.db2.gz IOSNFTYRQXCZJB-UHFFFAOYSA-N 1 1 398.550 4.916 40 0 GJABMO Fc1cccc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306143166 212054797 /nfs/dbraw/zinc/05/47/97/212054797.db2.gz XUYFRFXXMZJFQX-LJQANCHMSA-N 1 1 376.435 4.508 40 0 GJABMO Oc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185724 204379355 /nfs/dbraw/zinc/37/93/55/204379355.db2.gz CTHVKOAIINFDGJ-FQEVSTJZSA-N 1 1 392.455 4.893 40 0 GJABMO Clc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccc(Nc3ncccn3)nc2)cc1 ZINC000257206224 212004017 /nfs/dbraw/zinc/00/40/17/212004017.db2.gz BCLSRNITJIFOIQ-LJQANCHMSA-N 1 1 379.895 4.996 40 0 GJABMO Clc1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Nc3ncccn3)nc2)cc1 ZINC000257206224 212004018 /nfs/dbraw/zinc/00/40/18/212004018.db2.gz BCLSRNITJIFOIQ-LJQANCHMSA-N 1 1 379.895 4.996 40 0 GJABMO O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044932897 205091321 /nfs/dbraw/zinc/09/13/21/205091321.db2.gz FSDONOWWWAUSTK-DENIHFKCSA-N 1 1 382.935 4.746 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cccc(-c3ccc(OC)cc3)n2)C1 ZINC000072350259 205330603 /nfs/dbraw/zinc/33/06/03/205330603.db2.gz RLAMCRBCSZSYID-LJQANCHMSA-N 1 1 388.515 4.574 40 0 GJABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350197 205330981 /nfs/dbraw/zinc/33/09/81/205330981.db2.gz RLWPYPAUDOBHHW-IBGZPJMESA-N 1 1 397.950 4.592 40 0 GJABMO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)no1 ZINC000072352781 205331750 /nfs/dbraw/zinc/33/17/50/205331750.db2.gz BOXIEKSUOUGKHM-WUTDNEBXSA-N 1 1 393.531 4.630 40 0 GJABMO Cc1cc(-c2cnn(C)c2)cc([C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353755 205331858 /nfs/dbraw/zinc/33/18/58/205331858.db2.gz RTDZUBOYRVNSIH-IBGZPJMESA-N 1 1 399.542 4.662 40 0 GJABMO NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352455 205332501 /nfs/dbraw/zinc/33/25/01/205332501.db2.gz VEKXVWZOXNJZCY-KRWDZBQOSA-N 1 1 387.508 4.538 40 0 GJABMO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000072376765 205338350 /nfs/dbraw/zinc/33/83/50/205338350.db2.gz YKQDLPLAQVGKAY-FQEVSTJZSA-N 1 1 380.442 4.731 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000224921968 206030682 /nfs/dbraw/zinc/03/06/82/206030682.db2.gz YSLCALKXZBEOBL-IBGZPJMESA-N 1 1 377.532 4.771 40 0 GJABMO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225619506 206060131 /nfs/dbraw/zinc/06/01/31/206060131.db2.gz 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Cc1ccc(Nc2nccc([C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)n2)nc1 ZINC000072377603 211105081 /nfs/dbraw/zinc/10/50/81/211105081.db2.gz JUUVDTADTRZESW-LJQANCHMSA-N 1 1 379.895 4.914 40 0 GJABMO C[N@@H+](Cc1ccncc1)Cc1cc(-c2cccc(F)c2)cnc1-c1ccncc1 ZINC000072343219 211094879 /nfs/dbraw/zinc/09/48/79/211094879.db2.gz IEGBREPGTHUZNZ-UHFFFAOYSA-N 1 1 384.458 4.977 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358399 211099620 /nfs/dbraw/zinc/09/96/20/211099620.db2.gz CQKRFZKGDNERKT-LJQANCHMSA-N 1 1 389.499 4.540 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cc1 ZINC000072358395 211099372 /nfs/dbraw/zinc/09/93/72/211099372.db2.gz ZFEMHVWTPHHAEI-GOSISDBHSA-N 1 1 377.463 4.671 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 ZINC000072350264 211097747 /nfs/dbraw/zinc/09/77/47/211097747.db2.gz HIDBSNPKYLCCFO-LJQANCHMSA-N 1 1 390.506 4.628 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000020491030 210341321 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CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000216428398 570301672 /nfs/dbraw/zinc/30/16/72/570301672.db2.gz WMTIGCFJCCTHTA-HSZRJFAPSA-N 1 1 399.494 4.808 40 0 GJABMO C[C@H](CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415389 570464916 /nfs/dbraw/zinc/46/49/16/570464916.db2.gz XTCWMGJXGKXNPS-HXUWFJFHSA-N 1 1 384.523 4.778 40 0 GJABMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCc2ccccc21 ZINC000030946928 570501954 /nfs/dbraw/zinc/50/19/54/570501954.db2.gz NGRCKHMTXDJAPU-UHFFFAOYSA-N 1 1 389.326 4.795 40 0 GJABMO Brc1cc(C2CCCCC2)ccc1OCCC[NH+]1CCOCC1 ZINC000031911910 570507270 /nfs/dbraw/zinc/50/72/70/570507270.db2.gz PLLFKUXRGBFEOH-UHFFFAOYSA-N 1 1 382.342 4.598 40 0 GJABMO C[C@@H](CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccccc1 ZINC000224549311 570517682 /nfs/dbraw/zinc/51/76/82/570517682.db2.gz KFGAFHMGVQWUNM-INIZCTEOSA-N 1 1 388.914 4.611 40 0 GJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000036092722 570554416 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40 0 GJABMO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812427 570707215 /nfs/dbraw/zinc/70/72/15/570707215.db2.gz BFZAJVMNDAMSDN-XXBNENTESA-N 1 1 390.568 4.864 40 0 GJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812457 570707231 /nfs/dbraw/zinc/70/72/31/570707231.db2.gz BYKHCSXHBFITSH-CVDCTZTESA-N 1 1 390.568 4.577 40 0 GJABMO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013673394 570771214 /nfs/dbraw/zinc/77/12/14/570771214.db2.gz WKILMXLQDSHLIU-IBGZPJMESA-N 1 1 382.507 4.836 40 0 GJABMO c1csc([C@H](c2nnnn2C2CCCC2)[N@@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098404 570940828 /nfs/dbraw/zinc/94/08/28/570940828.db2.gz CZUOQFOYBRXZRA-LJQANCHMSA-N 1 1 385.581 4.985 40 0 GJABMO c1csc([C@H](c2nnnn2C2CCCC2)[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000020098404 570940830 /nfs/dbraw/zinc/94/08/30/570940830.db2.gz CZUOQFOYBRXZRA-LJQANCHMSA-N 1 1 385.581 4.985 40 0 GJABMO COc1ccc(C(C)(C)C)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000019084423 570956175 /nfs/dbraw/zinc/95/61/75/570956175.db2.gz JOCSVJSQUWGLAR-OFFJZUQKSA-N 1 1 394.559 4.507 40 0 GJABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081708 570956327 /nfs/dbraw/zinc/95/63/27/570956327.db2.gz LRGFKSWVIAQCKE-GGAORHGYSA-N 1 1 393.575 4.772 40 0 GJABMO c1c([C@@H]2CCCCC[N@H+]2Cc2ccncc2)noc1-c1ccc2c(c1)OCO2 ZINC000019346363 570978077 /nfs/dbraw/zinc/97/80/77/570978077.db2.gz OPJVEWKOJSTLBX-IBGZPJMESA-N 1 1 377.444 4.583 40 0 GJABMO c1c([C@@H]2CCCCC[N@@H+]2Cc2ccncc2)noc1-c1ccc2c(c1)OCO2 ZINC000019346363 570978080 /nfs/dbraw/zinc/97/80/80/570978080.db2.gz OPJVEWKOJSTLBX-IBGZPJMESA-N 1 1 377.444 4.583 40 0 GJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400629 570982107 /nfs/dbraw/zinc/98/21/07/570982107.db2.gz YJEJBOYWILOFSN-DENIHFKCSA-N 1 1 397.950 4.605 40 0 GJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)C1CCC1 ZINC000019400632 570982322 /nfs/dbraw/zinc/98/23/22/570982322.db2.gz YJEJBOYWILOFSN-SIKLNZKXSA-N 1 1 397.950 4.605 40 0 GJABMO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019400457 570982434 /nfs/dbraw/zinc/98/24/34/570982434.db2.gz ANZNQKFCIDZDIG-SGIRGMQISA-N 1 1 395.591 4.888 40 0 GJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019400460 570982460 /nfs/dbraw/zinc/98/24/60/570982460.db2.gz ANZNQKFCIDZDIG-HWBMXIPRSA-N 1 1 395.591 4.888 40 0 GJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c1C ZINC000019692031 571029743 /nfs/dbraw/zinc/02/97/43/571029743.db2.gz RTLRNADRQNFLRK-XMMPIXPASA-N 1 1 392.522 4.982 40 0 GJABMO CC(C)C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(-c3ccccc3)cc2)C1 ZINC000096071309 571098662 /nfs/dbraw/zinc/09/86/62/571098662.db2.gz KHNZNHDIOHAQSZ-RUZDIDTESA-N 1 1 376.544 4.967 40 0 GJABMO CCOc1ccc(C(=O)CN(c2ccc(OC)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870312 209127748 /nfs/dbraw/zinc/12/77/48/209127748.db2.gz MZPQQOCWSFDGDL-UHFFFAOYSA-N 1 1 380.488 4.756 40 0 GJABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]21 ZINC000019237861 207111630 /nfs/dbraw/zinc/11/16/30/207111630.db2.gz UQUCPSZTLBWOQG-NRRYGQPISA-N 1 1 398.550 4.752 40 0 GJABMO CCOc1cc2c(cc1C[NH2+][C@H](Cc1ccsc1)c1ncccc1C)OCO2 ZINC000019532523 207131038 /nfs/dbraw/zinc/13/10/38/207131038.db2.gz LTBGDJVLRKBYIF-GOSISDBHSA-N 1 1 396.512 4.653 40 0 GJABMO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)c1 ZINC000072380354 208011254 /nfs/dbraw/zinc/01/12/54/208011254.db2.gz LCNKBHRFTCTAFL-HSZRJFAPSA-N 1 1 384.483 4.971 40 0 GJABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1 ZINC000019019850 221395378 /nfs/dbraw/zinc/39/53/78/221395378.db2.gz OCUOEFCYNGNJIF-UHFFFAOYSA-N 1 1 384.564 4.621 40 0 GJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc12 ZINC000057712759 136153852 /nfs/dbraw/zinc/15/38/52/136153852.db2.gz KVXPFZCUJVPQJW-UHFFFAOYSA-N 1 1 375.516 4.993 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)n1 ZINC000257320992 209074820 /nfs/dbraw/zinc/07/48/20/209074820.db2.gz VZQKIPKYPXYBCQ-GOSISDBHSA-N 1 1 386.499 4.899 40 0 GJABMO Cc1ncc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)s1 ZINC000257316664 209075370 /nfs/dbraw/zinc/07/53/70/209075370.db2.gz VGNAEAUIQVNMES-UHFFFAOYSA-N 1 1 379.533 4.673 40 0 GJABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cn1 ZINC000072350245 222236913 /nfs/dbraw/zinc/23/69/13/222236913.db2.gz XLKAIZQKKYPVMT-IBGZPJMESA-N 1 1 376.479 4.620 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358396 222239897 /nfs/dbraw/zinc/23/98/97/222239897.db2.gz QCKWRKHNOORXMN-IBGZPJMESA-N 1 1 377.463 4.671 40 0 GJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000072372449 222242324 /nfs/dbraw/zinc/24/23/24/222242324.db2.gz AVSYCSILNMRPAX-XMMPIXPASA-N 1 1 381.483 4.732 40 0 GJABMO Cc1ccc2occ(C[N@@H+](CCCn3ccnc3)C[C@H]3CC=CCC3)c(=O)c2c1 ZINC000019219767 524098040 /nfs/dbraw/zinc/09/80/40/524098040.db2.gz KAMYGRNFWDDCEJ-FQEVSTJZSA-N 1 1 391.515 4.547 40 0 GJABMO Cc1ccc(Cl)c(OC[C@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000585271279 570239694 /nfs/dbraw/zinc/23/96/94/570239694.db2.gz VUOWLNUDRNOZMW-QFIPXVFZSA-N 1 1 384.907 4.536 40 0 GJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1)c1cccc(Cl)c1 ZINC000004887939 570415673 /nfs/dbraw/zinc/41/56/73/570415673.db2.gz BXUPEAIAVQPVLA-SEJPIABJSA-N 1 1 386.898 4.795 40 0 GJABMO CC(C)C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000004886597 570415680 /nfs/dbraw/zinc/41/56/80/570415680.db2.gz IXVZENKBECBETE-AYHJJNSGSA-N 1 1 383.458 4.868 40 0 GJABMO CCC(CC)C[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC ZINC000005063199 570427601 /nfs/dbraw/zinc/42/76/01/570427601.db2.gz XQDQBYIIIBVIBX-QMHWCDLVSA-N 1 1 375.553 4.590 40 0 GJABMO O=C(NCc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222889930 570430243 /nfs/dbraw/zinc/43/02/43/570430243.db2.gz PWBCFIGQVZPCNV-OAQYLSRUSA-N 1 1 376.475 4.507 40 0 GJABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992997 570435867 /nfs/dbraw/zinc/43/58/67/570435867.db2.gz RAEZAAZRMUJZOP-FDDCHVKYSA-N 1 1 394.534 4.794 40 0 GJABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1 ZINC000039748074 570446908 /nfs/dbraw/zinc/44/69/08/570446908.db2.gz GMXSJNSNFPIZOC-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCC2 ZINC000223213254 570450253 /nfs/dbraw/zinc/45/02/53/570450253.db2.gz GSWWDFXTXDVUCL-RTBURBONSA-N 1 1 376.544 4.898 40 0 GJABMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000223242555 570452152 /nfs/dbraw/zinc/45/21/52/570452152.db2.gz APEXTNAXSUPPOK-HTAPYJJXSA-N 1 1 396.962 4.918 40 0 GJABMO O[C@@]12CCCC[C@@H]1[C@H](c1ccc3c(c1)OCO3)[N@@H+](Cc1ccccc1Cl)CC2 ZINC000002417618 570544142 /nfs/dbraw/zinc/54/41/42/570544142.db2.gz DHAIHTADTTVAFV-YFXJRYMSSA-N 1 1 399.918 4.937 40 0 GJABMO C[N@H+]1CCC[C@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000009876520 570562240 /nfs/dbraw/zinc/56/22/40/570562240.db2.gz WSJSILTXEANKKH-OAHLLOKOSA-N 1 1 389.952 4.761 40 0 GJABMO COc1ccc2c(C[N@@H+](CCCn3ccnc3)Cc3ccc(C)s3)c[nH]c2c1 ZINC000036740414 570568949 /nfs/dbraw/zinc/56/89/49/570568949.db2.gz QXJBMRLNNMBVEA-UHFFFAOYSA-N 1 1 394.544 4.835 40 0 GJABMO CCc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000225412900 570571608 /nfs/dbraw/zinc/57/16/08/570571608.db2.gz BXCQTOJTKKQVJU-LAUBAEHRSA-N 1 1 384.951 4.992 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000225457583 570576351 /nfs/dbraw/zinc/57/63/51/570576351.db2.gz WXHKQAGSQFMMJZ-UHFFFAOYSA-N 1 1 390.434 4.686 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C ZINC000225513355 570582266 /nfs/dbraw/zinc/58/22/66/570582266.db2.gz LKGFOBJRNPZCLZ-SFHVURJKSA-N 1 1 391.515 4.696 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832905 570584758 /nfs/dbraw/zinc/58/47/58/570584758.db2.gz ZEZJHYHGZRDWJA-QGZVFWFLSA-N 1 1 391.342 4.864 40 0 GJABMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574899 570589749 /nfs/dbraw/zinc/58/97/49/570589749.db2.gz CSKRUWWBKZXWRN-UHFFFAOYSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccc(F)c(F)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581043 570590888 /nfs/dbraw/zinc/59/08/88/570590888.db2.gz UNNYAQHXBJVGBN-UHFFFAOYSA-N 1 1 382.813 4.608 40 0 GJABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225707210 570607144 /nfs/dbraw/zinc/60/71/44/570607144.db2.gz ARBBDOMBESPRPC-IBGZPJMESA-N 1 1 388.552 4.618 40 0 GJABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225731183 570610185 /nfs/dbraw/zinc/61/01/85/570610185.db2.gz BFZAJVMNDAMSDN-WMZHIEFXSA-N 1 1 390.568 4.864 40 0 GJABMO C[C@@H]1CCC[N@@H+](CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000225736295 570611227 /nfs/dbraw/zinc/61/12/27/570611227.db2.gz KQUKAWOPFJHELV-GFCCVEGCSA-N 1 1 393.906 4.767 40 0 GJABMO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(Cl)c1Cl)C2 ZINC000012135227 570614032 /nfs/dbraw/zinc/61/40/32/570614032.db2.gz LAUDPYYUXVDWKJ-QRTHJKPMSA-N 1 1 391.342 4.817 40 0 GJABMO COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)[nH+]c3ccccn32)cc1 ZINC000004848427 570634351 /nfs/dbraw/zinc/63/43/51/570634351.db2.gz XNGCMNMUHPCVGQ-UHFFFAOYSA-N 1 1 389.455 4.639 40 0 GJABMO Fc1ccc2c(c1)nnn2C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000004968179 570654709 /nfs/dbraw/zinc/65/47/09/570654709.db2.gz HRLKCUOCTZPUNS-UHFFFAOYSA-N 1 1 379.266 4.714 40 0 GJABMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2c[nH]cc3c(Cl)nnc2-3)cc1 ZINC000057797095 570703831 /nfs/dbraw/zinc/70/38/31/570703831.db2.gz MDUQDAPESQKMBH-UHFFFAOYSA-N 1 1 377.879 4.517 40 0 GJABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816737 570707827 /nfs/dbraw/zinc/70/78/27/570707827.db2.gz PHJVMOVURMATTA-CVDCTZTESA-N 1 1 390.568 4.721 40 0 GJABMO CCc1ccc(C[N@H+](Cc2cccnc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000013569089 570850707 /nfs/dbraw/zinc/85/07/07/570850707.db2.gz GCVSMFNIPAWAIQ-UHFFFAOYSA-N 1 1 376.500 4.864 40 0 GJABMO CCc1ccc(C[N@@H+](Cc2cccnc2)Cc2ccc(OC)c(OC)c2)cc1 ZINC000013569089 570850709 /nfs/dbraw/zinc/85/07/09/570850709.db2.gz GCVSMFNIPAWAIQ-UHFFFAOYSA-N 1 1 376.500 4.864 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000260577725 570921206 /nfs/dbraw/zinc/92/12/06/570921206.db2.gz JRTWPQZASLBWHL-GCJKJVERSA-N 1 1 392.543 4.951 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3ccc(C)cc3)CC2)cc1 ZINC000585100875 570928677 /nfs/dbraw/zinc/92/86/77/570928677.db2.gz ZWLJDNFTWKQLJH-VWLOTQADSA-N 1 1 392.543 4.551 40 0 GJABMO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@@H]2[C@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108041 570939440 /nfs/dbraw/zinc/93/94/40/570939440.db2.gz XOMRSLXDYZPEBI-BDKRGJGYSA-N 1 1 386.967 4.557 40 0 GJABMO O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CC[C@H]2[C@@H](C[N@H+]2CC2CCCCC2)C1 ZINC000585108044 570939532 /nfs/dbraw/zinc/93/95/32/570939532.db2.gz XOMRSLXDYZPEBI-NMIHRBCNSA-N 1 1 386.967 4.557 40 0 GJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)CC2=Cc3ccccc3OC2)s1 ZINC000019217147 570961822 /nfs/dbraw/zinc/96/18/22/570961822.db2.gz LHWYIXNQVOAGNH-UHFFFAOYSA-N 1 1 379.529 4.621 40 0 GJABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329045506 212094458 /nfs/dbraw/zinc/09/44/58/212094458.db2.gz TVYGKEQYWMADDK-MRXNPFEDSA-N 1 1 380.536 4.571 40 0 GJABMO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C(C)C)n1 ZINC000329029685 212093862 /nfs/dbraw/zinc/09/38/62/212093862.db2.gz QAEBHFQZZNXHKC-INIZCTEOSA-N 1 1 382.552 4.601 40 0 GJABMO CC(C)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328986108 212092044 /nfs/dbraw/zinc/09/20/44/212092044.db2.gz HWGQTZODSCVTSL-UHFFFAOYSA-N 1 1 389.341 4.746 40 0 GJABMO O=C(c1cc2ccccc2o1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020533932 207201641 /nfs/dbraw/zinc/20/16/41/207201641.db2.gz NOWNUYVJTNETIR-UHFFFAOYSA-N 1 1 394.474 4.961 40 0 GJABMO COc1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000029911719 207366367 /nfs/dbraw/zinc/36/63/67/207366367.db2.gz OOXXXOHULCREDY-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO Cc1cccc(Nc2cncc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072376335 208010464 /nfs/dbraw/zinc/01/04/64/208010464.db2.gz FGTQBKBKOWHJQV-QFIPXVFZSA-N 1 1 396.498 4.809 40 0 GJABMO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589209 208961366 /nfs/dbraw/zinc/96/13/66/208961366.db2.gz FWFZIPTUKPGEFM-UHFFFAOYSA-N 1 1 388.914 4.740 40 0 GJABMO Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(Cl)c(Cl)c1)C2 ZINC000012089085 221149430 /nfs/dbraw/zinc/14/94/30/221149430.db2.gz CWENTLVNHHEKEY-QRTHJKPMSA-N 1 1 391.342 4.817 40 0 GJABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](Cc1cccnc1)Cc1ccccc1F ZINC000013569004 221274079 /nfs/dbraw/zinc/27/40/79/221274079.db2.gz BKXWAKHJJCJBIH-SFHVURJKSA-N 1 1 392.474 4.830 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 ZINC000057740248 222036586 /nfs/dbraw/zinc/03/65/86/222036586.db2.gz JIPREIDXBGJOPH-SFHVURJKSA-N 1 1 398.510 4.613 40 0 GJABMO c1cnc2cccc(C[N@H+]3CCC[C@H]3c3cccc(Nc4cnccn4)n3)c2c1 ZINC000072375738 222243077 /nfs/dbraw/zinc/24/30/77/222243077.db2.gz QZDNQPUFOIBCQA-NRFANRHFSA-N 1 1 382.471 4.501 40 0 GJABMO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](CC[C@@H](C)c3ccc(C)o3)C2)on1 ZINC000072396705 222251968 /nfs/dbraw/zinc/25/19/68/222251968.db2.gz GYYQDWYCEHWADR-CJNGLKHVSA-N 1 1 386.521 4.776 40 0 GJABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000078582370 222297298 /nfs/dbraw/zinc/29/72/98/222297298.db2.gz SBBBJMSHASPKCE-OAQYLSRUSA-N 1 1 379.548 4.839 40 0 GJABMO CCOc1ccc2cc(CNc3ccc([NH+]4CCCCC4)cc3)c(=O)[nH]c2c1 ZINC000013561405 535441128 /nfs/dbraw/zinc/44/11/28/535441128.db2.gz UWRHRRPDOATFMK-UHFFFAOYSA-N 1 1 377.488 4.529 40 0 GJABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)cc1 ZINC000020044918 570237443 /nfs/dbraw/zinc/23/74/43/570237443.db2.gz AKRBXFCRANQGLD-JPYJTQIMSA-N 1 1 380.532 4.808 40 0 GJABMO O=C(Nc1cccc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208876276 570263119 /nfs/dbraw/zinc/26/31/19/570263119.db2.gz 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379.573 4.867 40 0 GJABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000035311818 570467198 /nfs/dbraw/zinc/46/71/98/570467198.db2.gz MNOXHWFDLVMUCP-FRIKZZABSA-N 1 1 379.573 4.867 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000223917578 570490056 /nfs/dbraw/zinc/49/00/56/570490056.db2.gz RNUBLTGWVAXDKE-MRXNPFEDSA-N 1 1 390.449 4.867 40 0 GJABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1c(Cl)cccc1Cl ZINC000008373854 570530174 /nfs/dbraw/zinc/53/01/74/570530174.db2.gz QBXVXQDPJDHDAI-UHFFFAOYSA-N 1 1 397.346 4.622 40 0 GJABMO CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000225412862 570571561 /nfs/dbraw/zinc/57/15/61/570571561.db2.gz BXCQTOJTKKQVJU-DYESRHJHSA-N 1 1 384.951 4.992 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834228 570585652 /nfs/dbraw/zinc/58/56/52/570585652.db2.gz WITKFYUMONADDU-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834228 570585655 /nfs/dbraw/zinc/58/56/55/570585655.db2.gz WITKFYUMONADDU-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000038834243 570585684 /nfs/dbraw/zinc/58/56/84/570585684.db2.gz HUNRPFIDNWTROU-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038834712 570586413 /nfs/dbraw/zinc/58/64/13/570586413.db2.gz KJJBFAITBKZXBC-HNNXBMFYSA-N 1 1 380.385 4.695 40 0 GJABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835072 570586433 /nfs/dbraw/zinc/58/64/33/570586433.db2.gz DSUYVEYJZYKDAN-CQSZACIVSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835072 570586438 /nfs/dbraw/zinc/58/64/38/570586438.db2.gz DSUYVEYJZYKDAN-CQSZACIVSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038835501 570586637 /nfs/dbraw/zinc/58/66/37/570586637.db2.gz MFWSIRPZHTXAQI-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO Cc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588840 570591789 /nfs/dbraw/zinc/59/17/89/570591789.db2.gz SEXIABMRXNLMCN-MRXNPFEDSA-N 1 1 388.914 4.877 40 0 GJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)Nc2ccccc2)C3)cc1 ZINC000004857231 570638485 /nfs/dbraw/zinc/63/84/85/570638485.db2.gz ZNKVDBASFUVEAO-FRIKZZABSA-N 1 1 379.573 4.867 40 0 GJABMO Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)cc1 ZINC000004883088 570642549 /nfs/dbraw/zinc/64/25/49/570642549.db2.gz VRTWXMPXKIDZJL-FRIKZZABSA-N 1 1 381.495 4.841 40 0 GJABMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044912351 570642987 /nfs/dbraw/zinc/64/29/87/570642987.db2.gz IEHKTRWCHODNIO-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812303 570707202 /nfs/dbraw/zinc/70/72/02/570707202.db2.gz ADCBJVWJXQDTNH-XXBNENTESA-N 1 1 390.568 4.720 40 0 GJABMO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260812464 570707336 /nfs/dbraw/zinc/70/73/36/570707336.db2.gz BZNMRHAHOPRWJI-CVDCTZTESA-N 1 1 390.568 4.577 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000066136427 570776874 /nfs/dbraw/zinc/77/68/74/570776874.db2.gz UYYRGUHHPKHWTR-LJQANCHMSA-N 1 1 390.449 4.576 40 0 GJABMO CC(C)Cn1cnc2c1C1(CC[NH+](Cc3nccs3)CC1)Oc1ccccc1-2 ZINC000306131954 570940510 /nfs/dbraw/zinc/94/05/10/570940510.db2.gz KTURPGVVNHXAQN-UHFFFAOYSA-N 1 1 394.544 4.546 40 0 GJABMO O=C1C[C@H]2[C@H](CC[N@H+]2CC2CCCCC2)N1Cc1c(Cl)cccc1Cl ZINC000585109065 570941049 /nfs/dbraw/zinc/94/10/49/570941049.db2.gz RRKCPYIDRQMDBP-OALUTQOASA-N 1 1 381.347 4.749 40 0 GJABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)Cc3ccc(C)s3)CC2)C1 ZINC000019217140 570961842 /nfs/dbraw/zinc/96/18/42/570961842.db2.gz FGQALUNDVPEWBU-UHFFFAOYSA-N 1 1 398.572 4.611 40 0 GJABMO Clc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1Cl ZINC000019292881 207115477 /nfs/dbraw/zinc/11/54/77/207115477.db2.gz XYGHXGXZVITQQU-UHFFFAOYSA-N 1 1 389.286 4.818 40 0 GJABMO CC(C)n1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c2ccccc21 ZINC000019454798 207124102 /nfs/dbraw/zinc/12/41/02/207124102.db2.gz FMILMRXZAGAZQI-KEVCNVLYSA-N 1 1 389.543 4.737 40 0 GJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)c(C)n1 ZINC000019524547 207128389 /nfs/dbraw/zinc/12/83/89/207128389.db2.gz VUISWQKNKXDMJL-QFIPXVFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)c(C)cc1OC ZINC000019531791 207131469 /nfs/dbraw/zinc/13/14/69/207131469.db2.gz SMDFUIRWMAZQNF-SVGJNIJCSA-N 1 1 399.506 4.556 40 0 GJABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)c(C)n1 ZINC000019691982 207148592 /nfs/dbraw/zinc/14/85/92/207148592.db2.gz KWUXIIVTDNNZMT-XMMPIXPASA-N 1 1 392.522 4.982 40 0 GJABMO Cc1cc(Cc2ccc(Cl)cc2)cc(C2CC[NH+](Cc3ncc[nH]3)CC2)n1 ZINC000019691885 207148847 /nfs/dbraw/zinc/14/88/47/207148847.db2.gz ABRRPBLSOGFVOZ-UHFFFAOYSA-N 1 1 380.923 4.737 40 0 GJABMO Cc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022913629 207263283 /nfs/dbraw/zinc/26/32/83/207263283.db2.gz RPDPJEVBBBNHBL-UHFFFAOYSA-N 1 1 398.550 4.916 40 0 GJABMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030938705 207377965 /nfs/dbraw/zinc/37/79/65/207377965.db2.gz OKEOLCWRQWFMRF-AWEZNQCLSA-N 1 1 381.278 4.983 40 0 GJABMO CC(C)Oc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c1 ZINC000030940313 207378477 /nfs/dbraw/zinc/37/84/77/207378477.db2.gz AHUZJSCLJCATHV-SFHVURJKSA-N 1 1 386.923 4.978 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072358223 208002909 /nfs/dbraw/zinc/00/29/09/208002909.db2.gz KKNPCWBTDVCFMD-QFIPXVFZSA-N 1 1 376.479 4.585 40 0 GJABMO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359409 208003150 /nfs/dbraw/zinc/00/31/50/208003150.db2.gz SJVQDJJZMCHRCP-SFHVURJKSA-N 1 1 398.432 4.937 40 0 GJABMO CC(C)c1nccn1-c1cccc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072379080 208011008 /nfs/dbraw/zinc/01/10/08/208011008.db2.gz MZYSYGWIESMKIX-IBGZPJMESA-N 1 1 378.495 4.909 40 0 GJABMO CCOc1cccc(C[N@@H+]2CCc3nc(-c4cccs4)ncc3C2)c1OCC ZINC000096125869 209012178 /nfs/dbraw/zinc/01/21/78/209012178.db2.gz RZZAFXBTYNYMEM-UHFFFAOYSA-N 1 1 395.528 4.561 40 0 GJABMO CCOc1cccc(C[N@H+]2CCc3nc(-c4cccs4)ncc3C2)c1OCC ZINC000096125869 209012181 /nfs/dbraw/zinc/01/21/81/209012181.db2.gz RZZAFXBTYNYMEM-UHFFFAOYSA-N 1 1 395.528 4.561 40 0 GJABMO Cn1cc(-c2ccc([C@@H]3CCCC[N@H+]3Cc3ccnc4ccccc34)cn2)cn1 ZINC000257207091 209055167 /nfs/dbraw/zinc/05/51/67/209055167.db2.gz BGHBNJOQLQIAIC-DEOSSOPVSA-N 1 1 383.499 4.758 40 0 GJABMO COc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=[NH+]CCCC2)cc1 ZINC000007275517 220992616 /nfs/dbraw/zinc/99/26/16/220992616.db2.gz AMBXJYYWVMNZCA-UHFFFAOYSA-N 1 1 388.414 4.568 40 0 GJABMO Cc1[nH+]ccn1CCCC(=O)Nc1nc(-c2c(C)n(C)c3ccccc32)cs1 ZINC000019581845 221431723 /nfs/dbraw/zinc/43/17/23/221431723.db2.gz MQIHVLJXYUCQOH-UHFFFAOYSA-N 1 1 393.516 4.534 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1 ZINC000044900752 221957224 /nfs/dbraw/zinc/95/72/24/221957224.db2.gz DXEJEGBKOYUTMN-CQSZACIVSA-N 1 1 385.920 4.631 40 0 GJABMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 ZINC000072353198 222237736 /nfs/dbraw/zinc/23/77/36/222237736.db2.gz YIDIBYUEDGTZRQ-JOCHJYFZSA-N 1 1 390.535 4.952 40 0 GJABMO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 ZINC000072370033 222240703 /nfs/dbraw/zinc/24/07/03/222240703.db2.gz YBLLKULAZVMDPK-QHCPKHFHSA-N 1 1 378.495 4.965 40 0 GJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371235 222243031 /nfs/dbraw/zinc/24/30/31/222243031.db2.gz JFBUGPFOWRYSND-IBGZPJMESA-N 1 1 395.934 4.717 40 0 GJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371235 222243034 /nfs/dbraw/zinc/24/30/34/222243034.db2.gz JFBUGPFOWRYSND-IBGZPJMESA-N 1 1 395.934 4.717 40 0 GJABMO Clc1ccccc1OCCc1cc([C@H]2CC[N@@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371235 222243039 /nfs/dbraw/zinc/24/30/39/222243039.db2.gz JFBUGPFOWRYSND-IBGZPJMESA-N 1 1 395.934 4.717 40 0 GJABMO COc1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)c1 ZINC000072380370 222243702 /nfs/dbraw/zinc/24/37/02/222243702.db2.gz OZSFXZHPZNGIJS-HSZRJFAPSA-N 1 1 384.483 4.971 40 0 GJABMO CC(C)(C)c1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408610694 526762589 /nfs/dbraw/zinc/76/25/89/526762589.db2.gz RKVVPJXGJOXQKK-UHFFFAOYSA-N 1 1 376.544 4.647 40 0 GJABMO CCCCOc1ccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408609810 528658892 /nfs/dbraw/zinc/65/88/92/528658892.db2.gz OWWHEJWSKNROEL-HSZRJFAPSA-N 1 1 392.543 4.528 40 0 GJABMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2cccc(F)c2)c(OC)c1 ZINC000005253055 570251796 /nfs/dbraw/zinc/25/17/96/570251796.db2.gz FAACTDGNFHHGQS-NHTMILBNSA-N 1 1 399.506 4.711 40 0 GJABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020450314 570256858 /nfs/dbraw/zinc/25/68/58/570256858.db2.gz WCHKNYQSWQMNRM-KRWDZBQOSA-N 1 1 394.515 4.656 40 0 GJABMO Cc1ccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020454983 570258762 /nfs/dbraw/zinc/25/87/62/570258762.db2.gz CJWCYDCFISIUDC-HXUWFJFHSA-N 1 1 396.600 4.890 40 0 GJABMO C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569770 570268525 /nfs/dbraw/zinc/26/85/25/570268525.db2.gz UWADVROSAKPYEC-AGILITTLSA-N 1 1 382.592 4.758 40 0 GJABMO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1cccn1Cc1ccccc1F ZINC000057739988 570368552 /nfs/dbraw/zinc/36/85/52/570368552.db2.gz AFPHXFYNMSQOMW-LJQANCHMSA-N 1 1 395.497 4.521 40 0 GJABMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1cccn1Cc1ccccc1F ZINC000057739988 570368554 /nfs/dbraw/zinc/36/85/54/570368554.db2.gz AFPHXFYNMSQOMW-LJQANCHMSA-N 1 1 395.497 4.521 40 0 GJABMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1cccn1Cc1ccccc1F ZINC000057739988 570368556 /nfs/dbraw/zinc/36/85/56/570368556.db2.gz AFPHXFYNMSQOMW-LJQANCHMSA-N 1 1 395.497 4.521 40 0 GJABMO C[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1cccn1Cc1ccccc1F ZINC000057739988 570368558 /nfs/dbraw/zinc/36/85/58/570368558.db2.gz AFPHXFYNMSQOMW-LJQANCHMSA-N 1 1 395.497 4.521 40 0 GJABMO O=C(NC1CCCCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039759295 570449906 /nfs/dbraw/zinc/44/99/06/570449906.db2.gz HIQICFIHHSWHQK-UHFFFAOYSA-N 1 1 380.935 4.920 40 0 GJABMO Cc1cc(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)cc(C)c1Cl ZINC000257219580 570487085 /nfs/dbraw/zinc/48/70/85/570487085.db2.gz DHHXERCDPWTJRH-HSZRJFAPSA-N 1 1 398.934 4.844 40 0 GJABMO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc(C(F)(F)F)c2)o1 ZINC000036740246 570568797 /nfs/dbraw/zinc/56/87/97/570568797.db2.gz XSFAZTHSUFQQHK-UHFFFAOYSA-N 1 1 377.410 4.896 40 0 GJABMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832939 570584543 /nfs/dbraw/zinc/58/45/43/570584543.db2.gz QDTVOFFBUGKRQA-GOSISDBHSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832939 570584544 /nfs/dbraw/zinc/58/45/44/570584544.db2.gz QDTVOFFBUGKRQA-GOSISDBHSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038860395 570589098 /nfs/dbraw/zinc/58/90/98/570589098.db2.gz OXPWPZHWLXTOPB-OAHLLOKOSA-N 1 1 380.385 4.695 40 0 GJABMO O=C(NCCC1=CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225578550 570590212 /nfs/dbraw/zinc/59/02/12/570590212.db2.gz PUNVJGYYMNRDHG-UHFFFAOYSA-N 1 1 378.919 4.698 40 0 GJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225583383 570591287 /nfs/dbraw/zinc/59/12/87/570591287.db2.gz LWNVUSUHUCIHML-NRFANRHFSA-N 1 1 388.914 4.959 40 0 GJABMO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225619404 570595290 /nfs/dbraw/zinc/59/52/90/570595290.db2.gz FXFJOGWUNABMSE-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225699178 570605497 /nfs/dbraw/zinc/60/54/97/570605497.db2.gz MYCDEBUDJMHQMK-WMZHIEFXSA-N 1 1 390.568 4.864 40 0 GJABMO CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225817658 570621204 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JJYISHUFBGRJHJ-WMZHIEFXSA-N 1 1 390.568 4.721 40 0 GJABMO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816779 570708295 /nfs/dbraw/zinc/70/82/95/570708295.db2.gz QFZTUPYGHLVHMF-XXBNENTESA-N 1 1 390.568 4.864 40 0 GJABMO Clc1ccc(C[N@@H+]2CCCC[C@H]2c2ccc(Nc3ncccn3)nc2)cc1 ZINC000257206223 570760677 /nfs/dbraw/zinc/76/06/77/570760677.db2.gz BCLSRNITJIFOIQ-IBGZPJMESA-N 1 1 379.895 4.996 40 0 GJABMO Clc1ccc(C[N@H+]2CCCC[C@H]2c2ccc(Nc3ncccn3)nc2)cc1 ZINC000257206223 570760681 /nfs/dbraw/zinc/76/06/81/570760681.db2.gz BCLSRNITJIFOIQ-IBGZPJMESA-N 1 1 379.895 4.996 40 0 GJABMO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013673392 570771333 /nfs/dbraw/zinc/77/13/33/570771333.db2.gz WKILMXLQDSHLIU-LJQANCHMSA-N 1 1 382.507 4.836 40 0 GJABMO Fc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cnn(C2CCCCC2)c1 ZINC000019348705 570978665 /nfs/dbraw/zinc/97/86/65/570978665.db2.gz ZZMQZDKEMSXDCT-UHFFFAOYSA-N 1 1 395.526 4.816 40 0 GJABMO Fc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1cnn(C2CCCCC2)c1 ZINC000019348705 570978670 /nfs/dbraw/zinc/97/86/70/570978670.db2.gz ZZMQZDKEMSXDCT-UHFFFAOYSA-N 1 1 395.526 4.816 40 0 GJABMO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000020503553 575370239 /nfs/dbraw/zinc/37/02/39/575370239.db2.gz NPDGUSAMLLYMFK-GHTZIAJQSA-N 1 1 396.490 4.881 40 0 biogenic,in-vitro GJABMO COc1ccccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439947 212117350 /nfs/dbraw/zinc/11/73/50/212117350.db2.gz BCVSTRYZAONCLL-JWQCQUIFSA-N 1 1 386.539 4.843 40 0 GJABMO COc1ccccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439947 212117351 /nfs/dbraw/zinc/11/73/51/212117351.db2.gz BCVSTRYZAONCLL-JWQCQUIFSA-N 1 1 386.539 4.843 40 0 GJABMO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000328960539 212090447 /nfs/dbraw/zinc/09/04/47/212090447.db2.gz AYYJGOOGNDRLHQ-UHFFFAOYSA-N 1 1 395.304 4.854 40 0 GJABMO Fc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccoc5)C4)nn3c2)c1 ZINC000306143165 209108495 /nfs/dbraw/zinc/10/84/95/209108495.db2.gz XUYFRFXXMZJFQX-IBGZPJMESA-N 1 1 376.435 4.508 40 0 GJABMO COc1ccc(C[N@@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000019120460 207102747 /nfs/dbraw/zinc/10/27/47/207102747.db2.gz AJUDSRFLFFHJNG-XUZZJYLKSA-N 1 1 391.515 4.800 40 0 GJABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081704 207103325 /nfs/dbraw/zinc/10/33/25/207103325.db2.gz LRGFKSWVIAQCKE-GMAHTHKFSA-N 1 1 393.575 4.772 40 0 GJABMO CCc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000019521350 207127631 /nfs/dbraw/zinc/12/76/31/207127631.db2.gz LPPVBSRKOXCTQO-QRQCMCJISA-N 1 1 376.500 4.510 40 0 GJABMO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@@H+](Cc4ccsc4)C3)n2)c1 ZINC000072369974 208005462 /nfs/dbraw/zinc/00/54/62/208005462.db2.gz CANPQIBYXQVHND-AWEZNQCLSA-N 1 1 379.407 4.806 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)C1=CC=C(OC)C3 ZINC000096316423 208306478 /nfs/dbraw/zinc/30/64/78/208306478.db2.gz WZTKOQWLQWUDKG-SQJMNOBHSA-N 1 1 389.495 4.846 40 0 biogenic,in-vitro GJABMO Cc1cc(C(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cs1 ZINC000012128096 221155584 /nfs/dbraw/zinc/15/55/84/221155584.db2.gz BXSNWDANNUFPFB-MRXNPFEDSA-N 1 1 396.560 4.934 40 0 GJABMO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000072346793 222233484 /nfs/dbraw/zinc/23/34/84/222233484.db2.gz DXTJZKYTAUIWFO-HXUWFJFHSA-N 1 1 394.519 4.674 40 0 GJABMO NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352454 222238545 /nfs/dbraw/zinc/23/85/45/222238545.db2.gz VEKXVWZOXNJZCY-QGZVFWFLSA-N 1 1 387.508 4.538 40 0 GJABMO FC(F)(F)c1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359438 222240021 /nfs/dbraw/zinc/24/00/21/222240021.db2.gz MLRGLRIYRLWUGR-QGZVFWFLSA-N 1 1 398.432 4.937 40 0 GJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC000096071320 222376941 /nfs/dbraw/zinc/37/69/41/222376941.db2.gz AJEBRTIJKUNDNG-HSZRJFAPSA-N 1 1 382.935 4.540 40 0 GJABMO CCOc1ccc2cc(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712706 535440554 /nfs/dbraw/zinc/44/05/54/535440554.db2.gz KZBJLTQRZFZCCT-KRWDZBQOSA-N 1 1 391.515 4.775 40 0 GJABMO CCOc1ccc2cc(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)c(=O)[nH]c2c1 ZINC000057712706 535440556 /nfs/dbraw/zinc/44/05/56/535440556.db2.gz KZBJLTQRZFZCCT-KRWDZBQOSA-N 1 1 391.515 4.775 40 0 GJABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000035446797 560079194 /nfs/dbraw/zinc/07/91/94/560079194.db2.gz WHCMSCSWOHFNTR-AWEZNQCLSA-N 1 1 375.394 4.580 40 0 biogenic,in-vitro GJABMO COc1ccc2nc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446797 560079195 /nfs/dbraw/zinc/07/91/95/560079195.db2.gz WHCMSCSWOHFNTR-AWEZNQCLSA-N 1 1 375.394 4.580 40 0 biogenic,in-vitro GJABMO COc1ccc2nc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1 ZINC000035446797 560079196 /nfs/dbraw/zinc/07/91/96/560079196.db2.gz WHCMSCSWOHFNTR-AWEZNQCLSA-N 1 1 375.394 4.580 40 0 biogenic,in-vitro GJABMO Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000049170578 560084494 /nfs/dbraw/zinc/08/44/94/560084494.db2.gz JKCOJVGGZTXHEY-AWEZNQCLSA-N 1 1 391.368 4.884 40 0 biogenic,in-vitro GJABMO c1ccc(CN2C[C@@H]3C[NH+](CC(c4ccccc4)c4ccccc4)C[C@H]3C2)cc1 ZINC000096245624 570224188 /nfs/dbraw/zinc/22/41/88/570224188.db2.gz JIYGBLYRRARIFK-CLJLJLNGSA-N 1 1 382.551 4.882 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(OCc2ccccc2)c1 ZINC000020046216 570237634 /nfs/dbraw/zinc/23/76/34/570237634.db2.gz PQBNLMFLJXVWGT-UHFFFAOYSA-N 1 1 397.478 4.690 40 0 GJABMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2F)c1 ZINC000005217449 570250446 /nfs/dbraw/zinc/25/04/46/570250446.db2.gz NSRJWEIWAMQCKX-OYDLWJJNSA-N 1 1 399.506 4.711 40 0 GJABMO O=C(c1cc(F)cc(F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004187 570289014 /nfs/dbraw/zinc/28/90/14/570289014.db2.gz WCZYBRSIAMKOAJ-UHFFFAOYSA-N 1 1 392.449 4.512 40 0 GJABMO Cc1cccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000022527870 570320570 /nfs/dbraw/zinc/32/05/70/570320570.db2.gz QBBJGUQVFILWSI-HXUWFJFHSA-N 1 1 396.600 4.890 40 0 GJABMO CC(C)C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936785 570322573 /nfs/dbraw/zinc/32/25/73/570322573.db2.gz HQUZGCIFWTXAGL-GMAHTHKFSA-N 1 1 382.523 4.941 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)cc1Cl ZINC000115968127 570343573 /nfs/dbraw/zinc/34/35/73/570343573.db2.gz SIRSMHUYCHKOSH-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408629190 570381844 /nfs/dbraw/zinc/38/18/44/570381844.db2.gz OSAQLVSGICIPIF-IZZDOVSWSA-N 1 1 397.950 4.867 40 0 GJABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 ZINC000222964743 570433749 /nfs/dbraw/zinc/43/37/49/570433749.db2.gz NBZOQJUHIDUOPT-UHFFFAOYSA-N 1 1 393.796 4.749 40 0 GJABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030943674 570501330 /nfs/dbraw/zinc/50/13/30/570501330.db2.gz YOUPGUBFZYNQOW-GHTZIAJQSA-N 1 1 384.951 4.690 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)C1 ZINC000038834025 570585621 /nfs/dbraw/zinc/58/56/21/570585621.db2.gz FULQJJMSKPKCFL-OAHLLOKOSA-N 1 1 387.321 4.933 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2c3ccccc3ccc21 ZINC000039226872 570589394 /nfs/dbraw/zinc/58/93/94/570589394.db2.gz IUGIFICNTBBMEI-UHFFFAOYSA-N 1 1 375.443 4.979 40 0 GJABMO Cc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583213 570591406 /nfs/dbraw/zinc/59/14/06/570591406.db2.gz NRLWJRDBWHQHER-INIZCTEOSA-N 1 1 388.914 4.877 40 0 GJABMO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225688749 570603457 /nfs/dbraw/zinc/60/34/57/570603457.db2.gz BYKHCSXHBFITSH-XXBNENTESA-N 1 1 390.568 4.577 40 0 GJABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225693501 570604251 /nfs/dbraw/zinc/60/42/51/570604251.db2.gz YFWBUUGCLCQBOF-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1C ZINC000044856651 570637313 /nfs/dbraw/zinc/63/73/13/570637313.db2.gz JZENEUNVXLQDIP-OFNKIYASSA-N 1 1 382.523 4.922 40 0 GJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(F)cc1 ZINC000044934202 570643782 /nfs/dbraw/zinc/64/37/82/570643782.db2.gz HCCOJDPBBZNPGW-CQSZACIVSA-N 1 1 392.877 4.708 40 0 GJABMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000260912241 570714005 /nfs/dbraw/zinc/71/40/05/570714005.db2.gz APEXTNAXSUPPOK-VGSWGCGISA-N 1 1 396.962 4.918 40 0 GJABMO OCc1ccccc1C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000257232925 570765634 /nfs/dbraw/zinc/76/56/34/570765634.db2.gz GMZHHKQHTRERKI-UHFFFAOYSA-N 1 1 383.495 4.567 40 0 GJABMO OCc1ccccc1C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccccc1 ZINC000257232925 570765638 /nfs/dbraw/zinc/76/56/38/570765638.db2.gz GMZHHKQHTRERKI-UHFFFAOYSA-N 1 1 383.495 4.567 40 0 GJABMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574873 571011774 /nfs/dbraw/zinc/01/17/74/571011774.db2.gz LEYNFJPDGUQLHS-JEBQAFNWSA-N 1 1 394.441 4.536 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574873 571011777 /nfs/dbraw/zinc/01/17/77/571011777.db2.gz LEYNFJPDGUQLHS-JEBQAFNWSA-N 1 1 394.441 4.536 40 0 GJABMO C[N@@H+](CCOc1ccc(Cl)cc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586150 571015764 /nfs/dbraw/zinc/01/57/64/571015764.db2.gz WDVCJFZGMIFMRZ-IBGZPJMESA-N 1 1 385.895 4.579 40 0 GJABMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)no1 ZINC000019716801 571038722 /nfs/dbraw/zinc/03/87/22/571038722.db2.gz CILCMYAHVWFZNX-UHFFFAOYSA-N 1 1 392.846 4.801 40 0 GJABMO C[NH+]1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 ZINC000408628881 529777467 /nfs/dbraw/zinc/77/74/67/529777467.db2.gz GHLAOLHFNYEOTC-UHFFFAOYSA-N 1 1 398.721 4.651 40 0 GJABMO O=C(N[C@H](C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccccn1)C1CCC1 ZINC000019400891 207120099 /nfs/dbraw/zinc/12/00/99/207120099.db2.gz ZXIGFMHJUXKYEJ-FYYLOGMGSA-N 1 1 395.522 4.623 40 0 GJABMO COc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)c(C)s2)c1OC ZINC000019559921 207134273 /nfs/dbraw/zinc/13/42/73/207134273.db2.gz HTAMQUOWMLHBQV-QGZVFWFLSA-N 1 1 388.558 4.912 40 0 GJABMO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000019568926 207136652 /nfs/dbraw/zinc/13/66/52/207136652.db2.gz VZPIWNOSGGDOGE-GFCCVEGCSA-N 1 1 381.423 4.991 40 0 GJABMO COCCC[N@@H+](Cc1c2cccnc2[nH]c1C1CCCC1)Cc1ccncc1 ZINC000019593289 207143887 /nfs/dbraw/zinc/14/38/87/207143887.db2.gz CSZCHPBRWGQHMV-UHFFFAOYSA-N 1 1 378.520 4.654 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cnn1C ZINC000072353976 208000586 /nfs/dbraw/zinc/00/05/86/208000586.db2.gz WXWVXNQGSIKMFN-OAQYLSRUSA-N 1 1 392.522 4.541 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cc1 ZINC000072358397 208002997 /nfs/dbraw/zinc/00/29/97/208002997.db2.gz QCKWRKHNOORXMN-LJQANCHMSA-N 1 1 377.463 4.671 40 0 GJABMO O=C(Nc1ccccc1)N1C[C@H]2[C@H](C[N@H+]2CC(c2ccccc2)c2ccccc2)C1 ZINC000096244928 208295141 /nfs/dbraw/zinc/29/51/41/208295141.db2.gz VGBVRAUDLWKVSQ-RDGATRHJSA-N 1 1 397.522 4.667 40 0 GJABMO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006009206 220912043 /nfs/dbraw/zinc/91/20/43/220912043.db2.gz UKFZRHVJMLZHMW-VWLOTQADSA-N 1 1 390.571 4.688 40 0 GJABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000057712661 136153879 /nfs/dbraw/zinc/15/38/79/136153879.db2.gz WVVRJKUDZHFHTM-QGZVFWFLSA-N 1 1 375.516 4.939 40 0 GJABMO CCc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000057712661 136153880 /nfs/dbraw/zinc/15/38/80/136153880.db2.gz WVVRJKUDZHFHTM-QGZVFWFLSA-N 1 1 375.516 4.939 40 0 GJABMO Cc1nc(Nc2cccc([C@H]3C[N@H+](Cc4ccccc4C)CCO3)n2)sc1C ZINC000257338962 209078684 /nfs/dbraw/zinc/07/86/84/209078684.db2.gz YZQBCBZTVYXWAJ-HXUWFJFHSA-N 1 1 394.544 4.780 40 0 GJABMO Cc1nc(Nc2cccc([C@H]3C[N@@H+](Cc4ccccc4C)CCO3)n2)sc1C ZINC000257338962 209078690 /nfs/dbraw/zinc/07/86/90/209078690.db2.gz YZQBCBZTVYXWAJ-HXUWFJFHSA-N 1 1 394.544 4.780 40 0 GJABMO Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000035289057 221815470 /nfs/dbraw/zinc/81/54/70/221815470.db2.gz UTQMWKQLDJBBBM-SEJPIABJSA-N 1 1 379.573 4.785 40 0 GJABMO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(C)cc3[nH]2)o1 ZINC000072346794 222233240 /nfs/dbraw/zinc/23/32/40/222233240.db2.gz DXTJZKYTAUIWFO-FQEVSTJZSA-N 1 1 394.519 4.674 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3nccnc3-c3ccccc3OC)C2)cc1 ZINC000072358398 222239758 /nfs/dbraw/zinc/23/97/58/222239758.db2.gz CQKRFZKGDNERKT-IBGZPJMESA-N 1 1 389.499 4.540 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000020112227 570241112 /nfs/dbraw/zinc/24/11/12/570241112.db2.gz RYJSDAUGKWFCHD-VQHVLOKHSA-N 1 1 386.282 4.817 40 0 GJABMO CCOP(=O)(OCC)[C@@H]1C[C@H]2C(=O)CCCC[C@H]2[N@H+]1Cc1ccccc1 ZINC000212419043 570277226 /nfs/dbraw/zinc/27/72/26/570277226.db2.gz KPCJORJMYAPFSR-QWFCFKBJSA-N 1 1 379.437 4.612 40 0 GJABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000216181352 570296674 /nfs/dbraw/zinc/29/66/74/570296674.db2.gz HIKUCQBJKAFRKW-GMAHTHKFSA-N 1 1 382.548 4.768 40 0 GJABMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OCc1ccc(Cl)cc1 ZINC000022075369 570321512 /nfs/dbraw/zinc/32/15/12/570321512.db2.gz APPXTZDBQQVBIK-UHFFFAOYSA-N 1 1 390.955 4.749 40 0 GJABMO CC(C)Oc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030940137 570501408 /nfs/dbraw/zinc/50/14/08/570501408.db2.gz XKHSYKXSJMAMPY-GOSISDBHSA-N 1 1 386.923 4.978 40 0 GJABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000036740435 570568386 /nfs/dbraw/zinc/56/83/86/570568386.db2.gz FYSAMFPDTHJFEK-QGZVFWFLSA-N 1 1 381.545 4.669 40 0 GJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1[nH]c2ccccc2c1C ZINC000036740341 570568499 /nfs/dbraw/zinc/56/84/99/570568499.db2.gz IWHUPSAHWYWASZ-UHFFFAOYSA-N 1 1 388.515 4.774 40 0 GJABMO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3c(c2)C[C@H](C)O3)s1 ZINC000036740434 570568620 /nfs/dbraw/zinc/56/86/20/570568620.db2.gz FYSAMFPDTHJFEK-KRWDZBQOSA-N 1 1 381.545 4.669 40 0 GJABMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832943 570584613 /nfs/dbraw/zinc/58/46/13/570584613.db2.gz SQGPXVKEJMKTQG-QGZVFWFLSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832943 570584615 /nfs/dbraw/zinc/58/46/15/570584615.db2.gz SQGPXVKEJMKTQG-QGZVFWFLSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832775 570584688 /nfs/dbraw/zinc/58/46/88/570584688.db2.gz MCRZYBZCQSGTFA-QGZVFWFLSA-N 1 1 377.315 4.522 40 0 GJABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832944 570585278 /nfs/dbraw/zinc/58/52/78/570585278.db2.gz SQGPXVKEJMKTQG-KRWDZBQOSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832944 570585280 /nfs/dbraw/zinc/58/52/80/570585280.db2.gz SQGPXVKEJMKTQG-KRWDZBQOSA-N 1 1 391.342 4.564 40 0 GJABMO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000225536283 570585509 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40 0 GJABMO Clc1ccc(-c2[nH+]c3ccccn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848433 570634257 /nfs/dbraw/zinc/63/42/57/570634257.db2.gz YUKXGBMNEJNXGQ-UHFFFAOYSA-N 1 1 377.831 4.996 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 ZINC000044855433 570636572 /nfs/dbraw/zinc/63/65/72/570636572.db2.gz OIWSBYXLULTMLB-NRFANRHFSA-N 1 1 389.499 4.580 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 ZINC000044855284 570636698 /nfs/dbraw/zinc/63/66/98/570636698.db2.gz JOBUPJDUXIJTPT-NRFANRHFSA-N 1 1 389.499 4.580 40 0 GJABMO Cc1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044909397 570642431 /nfs/dbraw/zinc/64/24/31/570642431.db2.gz ULDRDISZWDERRJ-OAQYLSRUSA-N 1 1 384.951 4.609 40 0 GJABMO S=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004888046 570642576 /nfs/dbraw/zinc/64/25/76/570642576.db2.gz AFLJGFNCKSEUNX-MQVJKMGUSA-N 1 1 389.952 4.805 40 0 GJABMO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C)cc2)c1 ZINC000004887976 570642607 /nfs/dbraw/zinc/64/26/07/570642607.db2.gz UKSFNFGETNNHFS-FRIKZZABSA-N 1 1 393.531 4.711 40 0 GJABMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000044912343 570642975 /nfs/dbraw/zinc/64/29/75/570642975.db2.gz WCPDHQPYHXUQKE-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO C[NH+](C)[C@@H](CNC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)c1ccccc1Cl ZINC000032988581 570645005 /nfs/dbraw/zinc/64/50/05/570645005.db2.gz ZGUFFRUYRWVNON-FHLOFIBASA-N 1 1 395.374 4.637 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)n1 ZINC000257296318 570777505 /nfs/dbraw/zinc/77/75/05/570777505.db2.gz RCFNPXSGKPSHNM-IBGZPJMESA-N 1 1 386.499 4.899 40 0 GJABMO O=C(Nc1c(F)cccc1F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000014411924 570891497 /nfs/dbraw/zinc/89/14/97/570891497.db2.gz AMSONFRPKBVXGG-UHFFFAOYSA-N 1 1 378.422 4.775 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)cc2)C1 ZINC000260577718 570921169 /nfs/dbraw/zinc/92/11/69/570921169.db2.gz JRTWPQZASLBWHL-AVRDEDQJSA-N 1 1 392.543 4.951 40 0 GJABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2cc(F)ccc2F)CC3)cc1 ZINC000585100278 570923879 /nfs/dbraw/zinc/92/38/79/570923879.db2.gz JKBWABZJPUYIGK-XMMPIXPASA-N 1 1 398.497 4.821 40 0 GJABMO Cc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306133110 570941109 /nfs/dbraw/zinc/94/11/09/570941109.db2.gz MCLBOKYXLFSOLK-DEOSSOPVSA-N 1 1 398.510 4.587 40 0 GJABMO Cc1cc(C)cc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306133110 570941111 /nfs/dbraw/zinc/94/11/11/570941111.db2.gz MCLBOKYXLFSOLK-DEOSSOPVSA-N 1 1 398.510 4.587 40 0 GJABMO Cc1cccc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236216 570966546 /nfs/dbraw/zinc/96/65/46/570966546.db2.gz ZEMAOSVRNHQPBI-AWEZNQCLSA-N 1 1 390.409 4.633 40 0 GJABMO O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](C3CCCC3)CC[C@H]21 ZINC000019347717 570978277 /nfs/dbraw/zinc/97/82/77/570978277.db2.gz MCNRLSYQNOBDCW-KCZVDYSFSA-N 1 1 398.547 4.760 40 0 GJABMO CCOc1cc2c(cc1C[NH2+][C@@H](Cc1ccsc1)c1ncccc1C)OCO2 ZINC000019532521 570999322 /nfs/dbraw/zinc/99/93/22/570999322.db2.gz LTBGDJVLRKBYIF-SFHVURJKSA-N 1 1 396.512 4.653 40 0 GJABMO COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccc3cccnc32)cc1 ZINC000019554738 571002966 /nfs/dbraw/zinc/00/29/66/571002966.db2.gz BUROUBKPNQZVSK-UHFFFAOYSA-N 1 1 386.499 4.532 40 0 GJABMO COc1ccc2c(c1)C=C(C[NH2+][C@H](Cc1ccsc1)c1nccs1)CO2 ZINC000019562294 571006044 /nfs/dbraw/zinc/00/60/44/571006044.db2.gz KBYMPRSIQACAHY-GOSISDBHSA-N 1 1 384.526 4.563 40 0 GJABMO COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C(C)C)[nH+]1)C2 ZINC000328993060 212092298 /nfs/dbraw/zinc/09/22/98/212092298.db2.gz IYEZKROTDMBGHQ-UHFFFAOYSA-N 1 1 380.536 4.916 40 0 GJABMO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C3CC3)n1)C2 ZINC000329069939 206244597 /nfs/dbraw/zinc/24/45/97/206244597.db2.gz ZBMMVVGFCKGEQX-UHFFFAOYSA-N 1 1 386.499 4.537 40 0 GJABMO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)nc(C3CC3)[nH+]1)C2 ZINC000329069939 206244602 /nfs/dbraw/zinc/24/46/02/206244602.db2.gz ZBMMVVGFCKGEQX-UHFFFAOYSA-N 1 1 386.499 4.537 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081720 207103425 /nfs/dbraw/zinc/10/34/25/207103425.db2.gz XLJKFBDXIWDMBR-IFMALSPDSA-N 1 1 397.538 4.869 40 0 GJABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 ZINC000019564376 207134201 /nfs/dbraw/zinc/13/42/01/207134201.db2.gz PHJCMCLWVSAODZ-AWEZNQCLSA-N 1 1 387.430 4.857 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@@H+]3Cc3ccccn3)no2)cc1OC ZINC000019561514 207134749 /nfs/dbraw/zinc/13/47/49/207134749.db2.gz JGNCNXOWDSWWIT-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc(-c2cc([C@H]3CCCCC[N@H+]3Cc3ccccn3)no2)cc1OC ZINC000019561514 207134753 /nfs/dbraw/zinc/13/47/53/207134753.db2.gz JGNCNXOWDSWWIT-HXUWFJFHSA-N 1 1 393.487 4.871 40 0 GJABMO Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)n1 ZINC000072353754 208000390 /nfs/dbraw/zinc/00/03/90/208000390.db2.gz RTDZUBOYRVNSIH-LJQANCHMSA-N 1 1 399.542 4.662 40 0 GJABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072358387 208003193 /nfs/dbraw/zinc/00/31/93/208003193.db2.gz WVPDJPDOEZMFIH-SFHVURJKSA-N 1 1 377.463 4.671 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358624 208003710 /nfs/dbraw/zinc/00/37/10/208003710.db2.gz QVUSLNPAGXFFNA-QGZVFWFLSA-N 1 1 398.432 4.937 40 0 GJABMO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225692945 208968750 /nfs/dbraw/zinc/96/87/50/208968750.db2.gz RNPINJKJDFHXLS-YYDVJCTNSA-N 1 1 390.568 4.577 40 0 GJABMO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000257330974 209076813 /nfs/dbraw/zinc/07/68/13/209076813.db2.gz XQVPKTNUCSQEMZ-GOSISDBHSA-N 1 1 386.499 4.899 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350265 222236362 /nfs/dbraw/zinc/23/63/62/222236362.db2.gz NFRYRFOHNXYCJB-IBGZPJMESA-N 1 1 390.506 4.628 40 0 GJABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CC[N@H+](C[C@@H](C)c4ccccc4)C3)cc2n1 ZINC000072397159 222253172 /nfs/dbraw/zinc/25/31/72/222253172.db2.gz ZPDKWPRAMQISSF-PBHICJAKSA-N 1 1 388.437 4.650 40 0 GJABMO CCC[NH+](CCC)CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000408718221 528060400 /nfs/dbraw/zinc/06/04/00/528060400.db2.gz CCSHCKFAWXVOPX-RVDMUPIBSA-N 1 1 397.338 4.565 40 0 GJABMO O=c1ccc(-c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1 ZINC000004237519 560197889 /nfs/dbraw/zinc/19/78/89/560197889.db2.gz FYYKJIUHUOCNNT-AZUAARDMSA-N 1 1 390.914 4.788 40 0 biogenic,in-vitro GJABMO Fc1cccc(N[C@@H]2CC[N@@H+](Cc3cncs3)C[C@@H]2Cc2ccccc2)c1 ZINC000585262246 570229799 /nfs/dbraw/zinc/22/97/99/570229799.db2.gz VAYIXWLUVMFPLM-PGRDOPGGSA-N 1 1 381.520 4.828 40 0 GJABMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccc(C)cc2)c1 ZINC000005185767 570250421 /nfs/dbraw/zinc/25/04/21/570250421.db2.gz VBYFJVGKRCTMDW-VJTSUQJLSA-N 1 1 395.543 4.881 40 0 GJABMO O=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208870514 570263256 /nfs/dbraw/zinc/26/32/56/570263256.db2.gz DZMCKYRTKGALSP-XWDORNJCSA-N 1 1 385.939 4.767 40 0 GJABMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000005647030 570272195 /nfs/dbraw/zinc/27/21/95/570272195.db2.gz PFLXJXZRPANRMC-UHFFFAOYSA-N 1 1 377.315 4.887 40 0 GJABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227829 570319163 /nfs/dbraw/zinc/31/91/63/570319163.db2.gz CNRKGSCIISQDGE-KGLIPLIRSA-N 1 1 376.070 4.715 40 0 GJABMO COc1ccc(C(=O)CN(c2cc(C)ccc2C)C2=[NH+]CCCC2)cc1OC ZINC000008410730 570378662 /nfs/dbraw/zinc/37/86/62/570378662.db2.gz KLXMLAYWEYUWBE-UHFFFAOYSA-N 1 1 380.488 4.592 40 0 GJABMO O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000004886327 570415715 /nfs/dbraw/zinc/41/57/15/570415715.db2.gz HKKNNABIIQJWPY-GOOCMWNKSA-N 1 1 393.409 4.616 40 0 GJABMO Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000035289446 570454518 /nfs/dbraw/zinc/45/45/18/570454518.db2.gz WODDXVNEXAQTBY-SEJPIABJSA-N 1 1 383.536 4.698 40 0 GJABMO S=C(Nc1ccc(Cl)cc1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000035310745 570465888 /nfs/dbraw/zinc/46/58/88/570465888.db2.gz ZKOYCPNDEQERFO-ALOPSCKCSA-N 1 1 391.993 4.884 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 ZINC000030751634 570494329 /nfs/dbraw/zinc/49/43/29/570494329.db2.gz GPBUEPJJXPAMNC-GOSISDBHSA-N 1 1 384.951 4.935 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)C1 ZINC000225429077 570573234 /nfs/dbraw/zinc/57/32/34/570573234.db2.gz ABPWTMCGQBEVTO-INIZCTEOSA-N 1 1 392.528 4.689 40 0 GJABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849381 570587781 /nfs/dbraw/zinc/58/77/81/570587781.db2.gz LCWMETPBAOVELL-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225590563 570591875 /nfs/dbraw/zinc/59/18/75/570591875.db2.gz LDHLGVMOCQKHHW-ZDUSSCGKSA-N 1 1 393.742 4.639 40 0 GJABMO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225688843 570603718 /nfs/dbraw/zinc/60/37/18/570603718.db2.gz ADCBJVWJXQDTNH-WMZHIEFXSA-N 1 1 390.568 4.720 40 0 GJABMO COc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(C)s2)c(C)c1C ZINC000043277886 570626883 /nfs/dbraw/zinc/62/68/83/570626883.db2.gz QBRMUFWHIBZCCG-UHFFFAOYSA-N 1 1 383.561 4.971 40 0 GJABMO O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044932078 570643828 /nfs/dbraw/zinc/64/38/28/570643828.db2.gz WLHINEFFQRELHB-UHFFFAOYSA-N 1 1 395.305 4.661 40 0 GJABMO CC(C)C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044936776 570644261 /nfs/dbraw/zinc/64/42/61/570644261.db2.gz HQUZGCIFWTXAGL-GGAORHGYSA-N 1 1 382.523 4.941 40 0 GJABMO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000044947414 570644734 /nfs/dbraw/zinc/64/47/34/570644734.db2.gz OSIVYJVZMJINHT-DEOSSOPVSA-N 1 1 399.494 4.808 40 0 GJABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc2c(c1)CCC2 ZINC000260912234 570714061 /nfs/dbraw/zinc/71/40/61/570714061.db2.gz APEXTNAXSUPPOK-JTSKRJEESA-N 1 1 396.962 4.918 40 0 GJABMO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2 ZINC000257228544 570764511 /nfs/dbraw/zinc/76/45/11/570764511.db2.gz FUFRCSKGSHJNQU-UHFFFAOYSA-N 1 1 394.515 4.699 40 0 GJABMO O=c1oc2ccc(Cl)cc2n1[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000019376326 570982507 /nfs/dbraw/zinc/98/25/07/570982507.db2.gz AYIMCDUANAPSQZ-GOSISDBHSA-N 1 1 393.874 4.633 40 0 GJABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]1 ZINC000328969539 571047863 /nfs/dbraw/zinc/04/78/63/571047863.db2.gz DFDQPXPOAONOOO-UHFFFAOYSA-N 1 1 394.563 4.745 40 0 GJABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](CC1=CCCCC1)Cc1ccccc1O2 ZINC000019016355 207100221 /nfs/dbraw/zinc/10/02/21/207100221.db2.gz FSVSMHCIERWZAC-UHFFFAOYSA-N 1 1 382.548 4.541 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081748 207102548 /nfs/dbraw/zinc/10/25/48/207102548.db2.gz KUKVZNFEICBDBJ-RBBKRZOGSA-N 1 1 397.538 4.869 40 0 GJABMO CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081717 207103117 /nfs/dbraw/zinc/10/31/17/207103117.db2.gz XLJKFBDXIWDMBR-IRLDBZIGSA-N 1 1 397.538 4.869 40 0 GJABMO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3cccc(F)c3F)CC2)o1 ZINC000019238727 207110852 /nfs/dbraw/zinc/11/08/52/207110852.db2.gz MMMIEJSQTTXUJL-UHFFFAOYSA-N 1 1 375.444 4.764 40 0 GJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019452350 207122165 /nfs/dbraw/zinc/12/21/65/207122165.db2.gz MVBIPXIGMVJCHG-IUODEOHRSA-N 1 1 384.471 4.514 40 0 GJABMO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3[C@@H]3CCSC3)cc2n1 ZINC000019452350 207122169 /nfs/dbraw/zinc/12/21/69/207122169.db2.gz MVBIPXIGMVJCHG-IUODEOHRSA-N 1 1 384.471 4.514 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCSc1ccc(Cl)cc1 ZINC000020462022 207196182 /nfs/dbraw/zinc/19/61/82/207196182.db2.gz QOXZHVGLOMONPF-UHFFFAOYSA-N 1 1 385.920 4.633 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccncc3)C2)c1 ZINC000072358568 208003786 /nfs/dbraw/zinc/00/37/86/208003786.db2.gz RPSRVNYFBNQJNC-SFHVURJKSA-N 1 1 398.432 4.937 40 0 GJABMO Cc1cccnc1Nc1cncc([C@H]2CCC[N@@H+]2Cc2cn(C)c3ccccc23)n1 ZINC000072376424 208007444 /nfs/dbraw/zinc/00/74/44/208007444.db2.gz KONITTSYXROEDT-JOCHJYFZSA-N 1 1 398.514 4.752 40 0 GJABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+]2CCCc2ccccc2)n1 ZINC000072378681 208010426 /nfs/dbraw/zinc/01/04/26/208010426.db2.gz DPKIEXXQRFZKAB-OAQYLSRUSA-N 1 1 375.520 4.555 40 0 GJABMO c1cnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072376043 208010587 /nfs/dbraw/zinc/01/05/87/208010587.db2.gz JGIAXNJCHDCBIH-HXUWFJFHSA-N 1 1 396.498 4.543 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cccc(-c3cccc(OC)c3)n2)C1 ZINC000072350257 222236656 /nfs/dbraw/zinc/23/66/56/222236656.db2.gz LJZVPZIRWYZCIP-LJQANCHMSA-N 1 1 388.515 4.574 40 0 GJABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)CC1 ZINC000072350198 222236728 /nfs/dbraw/zinc/23/67/28/222236728.db2.gz RLWPYPAUDOBHHW-LJQANCHMSA-N 1 1 397.950 4.592 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cncc(-c4cccc(OC)c4)n3)C2)cc1 ZINC000072359292 222238914 /nfs/dbraw/zinc/23/89/14/222238914.db2.gz GLKFDMGMXYOLFN-HXUWFJFHSA-N 1 1 389.499 4.540 40 0 GJABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)cc1 ZINC000072369952 222240978 /nfs/dbraw/zinc/24/09/78/222240978.db2.gz MBGQNXMQJQTBGM-HNNXBMFYSA-N 1 1 391.368 4.884 40 0 GJABMO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372692 222242631 /nfs/dbraw/zinc/24/26/31/222242631.db2.gz NNFIVAHGTZFMEZ-OAQYLSRUSA-N 1 1 389.503 4.578 40 0 GJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)n1 ZINC000072372692 222242633 /nfs/dbraw/zinc/24/26/33/222242633.db2.gz NNFIVAHGTZFMEZ-OAQYLSRUSA-N 1 1 389.503 4.578 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@@]13CC[N@@H+](C)[C@@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000253504569 560037818 /nfs/dbraw/zinc/03/78/18/560037818.db2.gz HLKCYOOWMVLNED-WIIJMRJTSA-N 1 1 391.511 4.601 40 0 biogenic,in-vitro GJABMO Cc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022525211 570320087 /nfs/dbraw/zinc/32/00/87/570320087.db2.gz NTEAPMSCURYIPR-UHFFFAOYSA-N 1 1 384.523 4.826 40 0 GJABMO S=C(Nc1ccccc1Cl)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000035310747 570465729 /nfs/dbraw/zinc/46/57/29/570465729.db2.gz DZIOGDUMPKOZMC-GOOCMWNKSA-N 1 1 391.993 4.884 40 0 GJABMO CC(C)Oc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000030940140 570501344 /nfs/dbraw/zinc/50/13/44/570501344.db2.gz XKHSYKXSJMAMPY-SFHVURJKSA-N 1 1 386.923 4.978 40 0 GJABMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008373855 570530102 /nfs/dbraw/zinc/53/01/02/570530102.db2.gz QWGPROZHRRYEQX-UHFFFAOYSA-N 1 1 397.346 4.622 40 0 GJABMO COc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834175 570585690 /nfs/dbraw/zinc/58/56/90/570585690.db2.gz BXQVZZOYOLEEDO-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO COc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000038834175 570585694 /nfs/dbraw/zinc/58/56/94/570585694.db2.gz BXQVZZOYOLEEDO-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038848584 570586902 /nfs/dbraw/zinc/58/69/02/570586902.db2.gz MWRQPCGCNXHADX-KRWDZBQOSA-N 1 1 377.315 4.522 40 0 GJABMO COc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849385 570587799 /nfs/dbraw/zinc/58/77/99/570587799.db2.gz YNXDFTIXKWBIHV-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO CCc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004857270 570638818 /nfs/dbraw/zinc/63/88/18/570638818.db2.gz VEGHIBJDHRUQOR-IHWFROFDSA-N 1 1 383.561 4.714 40 0 GJABMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044917150 570643426 /nfs/dbraw/zinc/64/34/26/570643426.db2.gz LTBLOQKXXQMYCE-LJQANCHMSA-N 1 1 396.506 4.998 40 0 GJABMO CCc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000260759586 570703456 /nfs/dbraw/zinc/70/34/56/570703456.db2.gz BXCQTOJTKKQVJU-UWJYYQICSA-N 1 1 384.951 4.992 40 0 GJABMO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260816718 570707363 /nfs/dbraw/zinc/70/73/63/570707363.db2.gz NSTWCSJPGHITCT-CVDCTZTESA-N 1 1 390.568 4.721 40 0 GJABMO CCCc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000260848635 570710347 /nfs/dbraw/zinc/71/03/47/570710347.db2.gz OFYNIROKHBOXFR-FQEVSTJZSA-N 1 1 394.559 4.680 40 0 GJABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(OC)c(C)c1 ZINC000260843438 570710362 /nfs/dbraw/zinc/71/03/62/570710362.db2.gz RUIBWTRAOHIMJI-UNMCSNQZSA-N 1 1 398.522 4.622 40 0 GJABMO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000260843315 570710399 /nfs/dbraw/zinc/71/03/99/570710399.db2.gz QFZGWWLCXRAYJH-IBGZPJMESA-N 1 1 378.560 4.973 40 0 GJABMO OCc1ccccc1C[N@H+](Cc1cnn(C2CCCC2)c1)Cc1ccccc1 ZINC000257292619 570776962 /nfs/dbraw/zinc/77/69/62/570776962.db2.gz QMHPIFKKEOXXPE-UHFFFAOYSA-N 1 1 375.516 4.693 40 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/nfs/dbraw/zinc/97/14/36/570971436.db2.gz HGYWDJNGHOIFOL-AWEZNQCLSA-N 1 1 375.303 4.655 40 0 GJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334351 570976065 /nfs/dbraw/zinc/97/60/65/570976065.db2.gz GWPAMYFEIJAQHI-FKBYEOEOSA-N 1 1 398.547 4.504 40 0 GJABMO O=C(N[C@H](C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400918 570982946 /nfs/dbraw/zinc/98/29/46/570982946.db2.gz WVOHRVSCLILPLB-JTHBVZDNSA-N 1 1 395.522 4.623 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c(-c2ccccc2)nn1C ZINC000019715874 571037898 /nfs/dbraw/zinc/03/78/98/571037898.db2.gz BPJQRRXOUOMDKO-FQEVSTJZSA-N 1 1 399.542 4.662 40 0 GJABMO Clc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328959839 571047265 /nfs/dbraw/zinc/04/72/65/571047265.db2.gz AVDYLSNYEOIOIJ-UHFFFAOYSA-N 1 1 382.939 4.737 40 0 GJABMO CCCOC(C(=O)O[C@H]1CC[C@H]2CC[C@@H]1[N@H+]2C)(c1ccccc1)c1ccccc1 ZINC000001639500 212253080 /nfs/dbraw/zinc/25/30/80/212253080.db2.gz HKGIWDBWRYKYTC-VJBWXMMDSA-N 1 1 393.527 4.525 40 0 GJABMO CC(C)c1nc(NC2CCCCC2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]1 ZINC000329007692 212091528 /nfs/dbraw/zinc/09/15/28/212091528.db2.gz LNAGFSDWENWXCB-QGZVFWFLSA-N 1 1 394.563 4.961 40 0 GJABMO Cc1nc(NC2CCCC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329057833 206243150 /nfs/dbraw/zinc/24/31/50/206243150.db2.gz WAPNBURNSDSRHX-UHFFFAOYSA-N 1 1 392.425 4.601 40 0 GJABMO [NH3+][C@H](Cc1c[nH]c2ccccc12)c1nnc(SC/C=C/c2ccccc2)o1 ZINC000016033438 207071694 /nfs/dbraw/zinc/07/16/94/207071694.db2.gz BZFKRVLOSUAXLL-AHKGRUIUSA-N 1 1 376.485 4.599 40 0 GJABMO CCOc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)cc1OC ZINC000019533957 207129859 /nfs/dbraw/zinc/12/98/59/207129859.db2.gz YZBYYHUQBLMXAT-QGZVFWFLSA-N 1 1 388.558 4.994 40 0 GJABMO CCOc1cc(C[NH2+][C@H](Cc2ccsc2)c2nc(C)cs2)ccc1OC ZINC000019532155 207129987 /nfs/dbraw/zinc/12/99/87/207129987.db2.gz WRBKCJODTSGRFE-QGZVFWFLSA-N 1 1 388.558 4.994 40 0 GJABMO CCOc1ccc(C[NH2+][C@H](Cc2cccs2)c2nc(C)cs2)cc1OC 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376.479 4.585 40 0 GJABMO Fc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358888 208002755 /nfs/dbraw/zinc/00/27/55/208002755.db2.gz HFOPKBZKMPQQNG-LJQANCHMSA-N 1 1 377.463 4.541 40 0 GJABMO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000083260327 208085010 /nfs/dbraw/zinc/08/50/10/208085010.db2.gz RZVKAWNUVBFUSF-YCDQRNBNSA-N 1 1 375.528 4.865 40 0 GJABMO COc1ccc2c(c1Oc1ccccc1)[C@]13CC[N@@H+](C)[C@H](C2)[C@@H]1[C@@H](C)CC(=O)C3 ZINC000096316421 208307058 /nfs/dbraw/zinc/30/70/58/208307058.db2.gz HLKCYOOWMVLNED-DQZWCGOGSA-N 1 1 391.511 4.601 40 0 biogenic,in-vitro GJABMO Cc1cc(N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc(C)[nH+]1 ZINC000257216722 209057588 /nfs/dbraw/zinc/05/75/88/209057588.db2.gz CVVGOAXUWPXKLF-HXUWFJFHSA-N 1 1 376.479 4.602 40 0 GJABMO Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)n1 ZINC000257244236 209059985 /nfs/dbraw/zinc/05/99/85/209059985.db2.gz IKLVLFUMNZSNCU-IBGZPJMESA-N 1 1 381.495 4.799 40 0 GJABMO CC12CC3(C)CC(C)(C1)CC(C(=O)N1CC[NH+](Cc4ccccc4)CC1)(C2)C3 ZINC000016778761 221371231 /nfs/dbraw/zinc/37/12/31/221371231.db2.gz ZGMVATRGXBQTCR-UHFFFAOYSA-N 1 1 380.576 4.718 40 0 GJABMO O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000096627721 136187445 /nfs/dbraw/zinc/18/74/45/136187445.db2.gz CTXWOLKSSSAIKI-FQEVSTJZSA-N 1 1 395.522 4.667 40 0 GJABMO CCn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350300 222236674 /nfs/dbraw/zinc/23/66/74/222236674.db2.gz MQAXSJIWMXCYQG-IBGZPJMESA-N 1 1 394.950 4.922 40 0 GJABMO CCn1ccnc1C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350300 222236678 /nfs/dbraw/zinc/23/66/78/222236678.db2.gz MQAXSJIWMXCYQG-IBGZPJMESA-N 1 1 394.950 4.922 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cccc(-c3ccccc3OC)n2)C1 ZINC000072350254 222236806 /nfs/dbraw/zinc/23/68/06/222236806.db2.gz FQUWKQQLXLNRKJ-SFHVURJKSA-N 1 1 388.515 4.574 40 0 GJABMO FC(F)(F)c1cccc(-c2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c1 ZINC000072359408 222239600 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/nfs/dbraw/zinc/44/70/29/570447029.db2.gz COMPOFYUQQZWST-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO C[C@@H](CNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccccc1 ZINC000223415322 570464634 /nfs/dbraw/zinc/46/46/34/570464634.db2.gz XTCWMGJXGKXNPS-FQEVSTJZSA-N 1 1 384.523 4.778 40 0 GJABMO CCc1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000223619081 570474547 /nfs/dbraw/zinc/47/45/47/570474547.db2.gz YPNRZHXZBSQCRM-UHFFFAOYSA-N 1 1 398.550 4.725 40 0 GJABMO CO[C@]1(COc2ccc(C)cc2)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000257265998 570488166 /nfs/dbraw/zinc/48/81/66/570488166.db2.gz MBEOYNWVDNPOLQ-XMMPIXPASA-N 1 1 378.516 4.926 40 0 GJABMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC(C)(C)C)cc1O ZINC000000904257 570515643 /nfs/dbraw/zinc/51/56/43/570515643.db2.gz QTWSXIBFTNUEPU-UHFFFAOYSA-N 1 1 390.281 4.688 40 0 GJABMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835069 570586480 /nfs/dbraw/zinc/58/64/80/570586480.db2.gz VMJPMPVQETUMCV-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038835069 570586484 /nfs/dbraw/zinc/58/64/84/570586484.db2.gz VMJPMPVQETUMCV-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(NCCSC1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852765 570588649 /nfs/dbraw/zinc/58/86/49/570588649.db2.gz QHVBZYCGCWUDLO-SFHVURJKSA-N 1 1 395.012 4.734 40 0 GJABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574858 570589699 /nfs/dbraw/zinc/58/96/99/570589699.db2.gz FGLXFNDUKXUINF-UHFFFAOYSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225574815 570589832 /nfs/dbraw/zinc/58/98/32/570589832.db2.gz ZRKASMSTSPVAJB-UHFFFAOYSA-N 1 1 381.278 4.983 40 0 GJABMO COc1cc(C)c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(C)C ZINC000225662767 570599867 /nfs/dbraw/zinc/59/98/67/570599867.db2.gz AANUKTKPWMLTTG-UHFFFAOYSA-N 1 1 377.488 4.551 40 0 GJABMO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225731153 570610178 /nfs/dbraw/zinc/61/01/78/570610178.db2.gz BFZAJVMNDAMSDN-CVDCTZTESA-N 1 1 390.568 4.864 40 0 GJABMO Cc1cccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)n1 ZINC000012143946 570615436 /nfs/dbraw/zinc/61/54/36/570615436.db2.gz OVUFRQNTACGJNN-HXUWFJFHSA-N 1 1 391.471 4.891 40 0 GJABMO Cc1cccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)n1 ZINC000012143946 570615438 /nfs/dbraw/zinc/61/54/38/570615438.db2.gz OVUFRQNTACGJNN-HXUWFJFHSA-N 1 1 391.471 4.891 40 0 GJABMO Cc1nn(C(C)C)c(C)c1C[N@H+](CCCn1ccnc1)Cc1ccccc1F ZINC000043277863 570627269 /nfs/dbraw/zinc/62/72/69/570627269.db2.gz JWKZFVTUZRPXDM-UHFFFAOYSA-N 1 1 383.515 4.509 40 0 GJABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCCn1ccnc1)Cc1ccccc1F ZINC000043277863 570627270 /nfs/dbraw/zinc/62/72/70/570627270.db2.gz JWKZFVTUZRPXDM-UHFFFAOYSA-N 1 1 383.515 4.509 40 0 GJABMO CSc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccco2)cc1 ZINC000004883338 570642731 /nfs/dbraw/zinc/64/27/31/570642731.db2.gz FEDIYHXZMFUSAV-AYHJJNSGSA-N 1 1 385.533 4.709 40 0 GJABMO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000044911935 570643006 /nfs/dbraw/zinc/64/30/06/570643006.db2.gz OPNMHVBURWWLEK-KRWDZBQOSA-N 1 1 394.515 4.656 40 0 GJABMO CCC[C@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C[C@H]1Nc1cccc(F)c1 ZINC000257236328 570767119 /nfs/dbraw/zinc/76/71/19/570767119.db2.gz HBPXQLIWJGXPSC-WMZHIEFXSA-N 1 1 383.511 4.887 40 0 GJABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccc(F)c(F)c2)cc1OC ZINC000013989525 570868301 /nfs/dbraw/zinc/86/83/01/570868301.db2.gz VUSVSHAEXCLGPE-UHFFFAOYSA-N 1 1 398.453 4.622 40 0 GJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N(Cc2ccncc2)C2CCCCC2)c1 ZINC000019288201 570970611 /nfs/dbraw/zinc/97/06/11/570970611.db2.gz QBCPEVWTKNZRRQ-UHFFFAOYSA-N 1 1 388.515 4.610 40 0 GJABMO Cn1nc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)c2cccnc21 ZINC000019289483 570971468 /nfs/dbraw/zinc/97/14/68/570971468.db2.gz HGYWDJNGHOIFOL-CQSZACIVSA-N 1 1 375.303 4.655 40 0 GJABMO O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000019332143 570975485 /nfs/dbraw/zinc/97/54/85/570975485.db2.gz DMNQQEXBQVPMJI-FKBYEOEOSA-N 1 1 398.547 4.760 40 0 GJABMO C[C@H]1CCC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000004745319 570992882 /nfs/dbraw/zinc/99/28/82/570992882.db2.gz UWADVROSAKPYEC-NKKJXINNSA-N 1 1 382.592 4.758 40 0 GJABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 ZINC000019524555 570996223 /nfs/dbraw/zinc/99/62/23/570996223.db2.gz PWBKIDWPADOXIX-QFIPXVFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1 ZINC000019524555 570996227 /nfs/dbraw/zinc/99/62/27/570996227.db2.gz PWBKIDWPADOXIX-QFIPXVFZSA-N 1 1 394.519 4.992 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cccnc3)no2)cc1OC ZINC000019561518 571005840 /nfs/dbraw/zinc/00/58/40/571005840.db2.gz NRRVDFLSRBYNKW-FQEVSTJZSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cccnc3)no2)cc1OC ZINC000019561518 571005842 /nfs/dbraw/zinc/00/58/42/571005842.db2.gz NRRVDFLSRBYNKW-FQEVSTJZSA-N 1 1 393.487 4.871 40 0 GJABMO COc1ccccc1OCC[N@@H+](C)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000019586174 207139660 /nfs/dbraw/zinc/13/96/60/207139660.db2.gz FBZZQYOQWOTMOK-UHFFFAOYSA-N 1 1 379.504 4.740 40 0 GJABMO Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000019691039 207148220 /nfs/dbraw/zinc/14/82/20/207148220.db2.gz JCEPYWVKCAIMCG-XMMPIXPASA-N 1 1 395.510 4.920 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000030944270 207378761 /nfs/dbraw/zinc/37/87/61/207378761.db2.gz PQJNNPDUQXYNNO-UHFFFAOYSA-N 1 1 381.479 4.759 40 0 GJABMO Fc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CCOc3ccccc3)C2)c1 ZINC000072358887 208004200 /nfs/dbraw/zinc/00/42/00/208004200.db2.gz HFOPKBZKMPQQNG-IBGZPJMESA-N 1 1 377.463 4.541 40 0 GJABMO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)n2)n1 ZINC000072376336 208008545 /nfs/dbraw/zinc/00/85/45/208008545.db2.gz FGTQBKBKOWHJQV-JOCHJYFZSA-N 1 1 396.498 4.809 40 0 GJABMO Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)s1 ZINC000096071973 208257862 /nfs/dbraw/zinc/25/78/62/208257862.db2.gz HGDNDWOMBFEXLP-QFIPXVFZSA-N 1 1 386.536 4.743 40 0 GJABMO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1 ZINC000004966383 208547176 /nfs/dbraw/zinc/54/71/76/208547176.db2.gz GYPBICBAMMTXHJ-UHFFFAOYSA-N 1 1 379.529 4.731 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccccn1 ZINC000019081752 221396141 /nfs/dbraw/zinc/39/61/41/221396141.db2.gz KUKVZNFEICBDBJ-IFMALSPDSA-N 1 1 397.538 4.869 40 0 GJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000057712678 136153855 /nfs/dbraw/zinc/15/38/55/136153855.db2.gz FWEOOLXQCRBINC-INIZCTEOSA-N 1 1 375.516 4.993 40 0 GJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@H](C)C4)cc3)cc12 ZINC000057712678 136153856 /nfs/dbraw/zinc/15/38/56/136153856.db2.gz FWEOOLXQCRBINC-INIZCTEOSA-N 1 1 375.516 4.993 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000057712725 136153923 /nfs/dbraw/zinc/15/39/23/136153923.db2.gz SQZJWWRIFFROTC-QGZVFWFLSA-N 1 1 391.515 4.775 40 0 GJABMO CCOc1ccc2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)cc2c1 ZINC000057712725 136153924 /nfs/dbraw/zinc/15/39/24/136153924.db2.gz SQZJWWRIFFROTC-QGZVFWFLSA-N 1 1 391.515 4.775 40 0 GJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccccc1N1CCCCC1 ZINC000022931871 136204578 /nfs/dbraw/zinc/20/45/78/136204578.db2.gz CZQGCEALMOMQSD-XMMPIXPASA-N 1 1 392.591 4.558 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-c4ccc(CO)cc4)n3)C2)cc1 ZINC000072348594 222235184 /nfs/dbraw/zinc/23/51/84/222235184.db2.gz JVRWDWCFDVPKIR-JOCHJYFZSA-N 1 1 388.511 4.629 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 ZINC000072350266 222236210 /nfs/dbraw/zinc/23/62/10/222236210.db2.gz NFRYRFOHNXYCJB-LJQANCHMSA-N 1 1 390.506 4.628 40 0 GJABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350301 222236745 /nfs/dbraw/zinc/23/67/45/222236745.db2.gz MQAXSJIWMXCYQG-LJQANCHMSA-N 1 1 394.950 4.922 40 0 GJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072350301 222236747 /nfs/dbraw/zinc/23/67/47/222236747.db2.gz MQAXSJIWMXCYQG-LJQANCHMSA-N 1 1 394.950 4.922 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cnn1C ZINC000072353978 222237924 /nfs/dbraw/zinc/23/79/24/222237924.db2.gz YSCBOGKBNRQUOQ-OAQYLSRUSA-N 1 1 392.522 4.541 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)c1 ZINC000072358623 222238995 /nfs/dbraw/zinc/23/89/95/222238995.db2.gz QVUSLNPAGXFFNA-KRWDZBQOSA-N 1 1 398.432 4.937 40 0 GJABMO Clc1ccccc1C[N@H+]1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375921 222242572 /nfs/dbraw/zinc/24/25/72/222242572.db2.gz VSRDUJNTFRGVDR-KRWDZBQOSA-N 1 1 379.895 4.648 40 0 GJABMO [NH3+][C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072227828 570319271 /nfs/dbraw/zinc/31/92/71/570319271.db2.gz CNRKGSCIISQDGE-ZIAGYGMSSA-N 1 1 376.070 4.715 40 0 GJABMO [NH3+][C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072227827 570319401 /nfs/dbraw/zinc/31/94/01/570319401.db2.gz CNRKGSCIISQDGE-KBPBESRZSA-N 1 1 376.070 4.715 40 0 GJABMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000113952077 570335612 /nfs/dbraw/zinc/33/56/12/570335612.db2.gz FGMJLOOBADBWMD-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000219419796 570359683 /nfs/dbraw/zinc/35/96/83/570359683.db2.gz QFUGNPLTDSSVFO-UHFFFAOYSA-N 1 1 391.342 4.864 40 0 GJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccccc2F)C3)cc1 ZINC000004887981 570415630 /nfs/dbraw/zinc/41/56/30/570415630.db2.gz DCEPUEYTNTUGLE-IHWFROFDSA-N 1 1 381.495 4.841 40 0 GJABMO O=C(NCc1ccc2ccccc2c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000222813657 570427003 /nfs/dbraw/zinc/42/70/03/570427003.db2.gz LZXUMMJIMHBBLX-JOCHJYFZSA-N 1 1 376.475 4.507 40 0 GJABMO COc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1 ZINC000035289488 570454544 /nfs/dbraw/zinc/45/45/44/570454544.db2.gz MDHWXNFRWPVUTA-SEJPIABJSA-N 1 1 393.531 4.711 40 0 GJABMO S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCc1ccccc1 ZINC000035289792 570455457 /nfs/dbraw/zinc/45/54/57/570455457.db2.gz DWWLHYFUJMEAKN-FRIKZZABSA-N 1 1 379.573 4.601 40 0 GJABMO COc1ccccc1C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2 ZINC000035289803 570455584 /nfs/dbraw/zinc/45/55/84/570455584.db2.gz QJDYWVAMMKZJCV-SEJPIABJSA-N 1 1 395.572 4.567 40 0 GJABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 ZINC000257243079 570488064 /nfs/dbraw/zinc/48/80/64/570488064.db2.gz IFJWHIVWLJRCBX-DEOSSOPVSA-N 1 1 378.516 4.581 40 0 GJABMO Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020192871 570514612 /nfs/dbraw/zinc/51/46/12/570514612.db2.gz REBUBYSUEWICLT-AREMUKBSSA-N 1 1 396.538 4.779 40 0 GJABMO COc1cc2c(cc1C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1)CCC2 ZINC000036740153 570568568 /nfs/dbraw/zinc/56/85/68/570568568.db2.gz ILORLZCNKJWTCL-UHFFFAOYSA-N 1 1 393.506 4.612 40 0 GJABMO O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038848662 570587202 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GJABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225623036 570595615 /nfs/dbraw/zinc/59/56/15/570595615.db2.gz NBYZTEJFSXBZJX-CVDCTZTESA-N 1 1 390.568 4.864 40 0 GJABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225622960 570595714 /nfs/dbraw/zinc/59/57/14/570595714.db2.gz JJYISHUFBGRJHJ-XXBNENTESA-N 1 1 390.568 4.721 40 0 GJABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225693557 570604237 /nfs/dbraw/zinc/60/42/37/570604237.db2.gz QFZTUPYGHLVHMF-WMZHIEFXSA-N 1 1 390.568 4.864 40 0 GJABMO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3CCCC[C@@H]3C)cc2)CCCCC1 ZINC000225709191 570606958 /nfs/dbraw/zinc/60/69/58/570606958.db2.gz JCGZFCDAZCCAPF-IBGZPJMESA-N 1 1 388.552 4.618 40 0 GJABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cc(C)nc3c(Cl)cccc23)CC1 ZINC000012147512 570617359 /nfs/dbraw/zinc/61/73/59/570617359.db2.gz AHEGBCUJKOUUCB-UHFFFAOYSA-N 1 1 396.922 4.644 40 0 GJABMO Oc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 ZINC000012185719 570620529 /nfs/dbraw/zinc/62/05/29/570620529.db2.gz CTHVKOAIINFDGJ-HXUWFJFHSA-N 1 1 392.455 4.893 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2cc3c(cc21)CCCC3 ZINC000225825685 570622318 /nfs/dbraw/zinc/62/23/18/570622318.db2.gz LMABOXDRKSFGKU-UHFFFAOYSA-N 1 1 379.475 4.705 40 0 GJABMO COc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848450 570634213 /nfs/dbraw/zinc/63/42/13/570634213.db2.gz NLKNQSDOMMVYBX-UHFFFAOYSA-N 1 1 387.439 4.659 40 0 GJABMO Cc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2ccc(F)cc2)C3)cc1 ZINC000004887986 570642528 /nfs/dbraw/zinc/64/25/28/570642528.db2.gz JTZUTCPNERHURW-FRIKZZABSA-N 1 1 381.495 4.841 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000044915940 570642949 /nfs/dbraw/zinc/64/29/49/570642949.db2.gz MLWGIEAXQQJBHP-UHFFFAOYSA-N 1 1 395.462 4.723 40 0 GJABMO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000044947419 570644930 /nfs/dbraw/zinc/64/49/30/570644930.db2.gz OSIVYJVZMJINHT-XMMPIXPASA-N 1 1 399.494 4.808 40 0 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4.683 40 0 GJABMO CC(C)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]c(C(C)C)n1 ZINC000328998554 206241585 /nfs/dbraw/zinc/24/15/85/206241585.db2.gz JSRNQXIWYLHNQL-UHFFFAOYSA-N 1 1 394.441 4.882 40 0 GJABMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)n1 ZINC000019236215 207110161 /nfs/dbraw/zinc/11/01/61/207110161.db2.gz ZEMAOSVRNHQPBI-CQSZACIVSA-N 1 1 390.409 4.633 40 0 GJABMO O=C(N[C@H](C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccccn1)C1CCC1 ZINC000019400915 207119989 /nfs/dbraw/zinc/11/99/89/207119989.db2.gz WVOHRVSCLILPLB-FYYLOGMGSA-N 1 1 395.522 4.623 40 0 GJABMO Cc1cccnc1-n1cccc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000019237893 207111012 /nfs/dbraw/zinc/11/10/12/207111012.db2.gz DRMJRJSOZONLBD-UHFFFAOYSA-N 1 1 382.511 4.821 40 0 GJABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c1C ZINC000019523963 207129562 /nfs/dbraw/zinc/12/95/62/207129562.db2.gz VPYRHLIJGVVLQO-QFIPXVFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)c1C ZINC000019523963 207129565 /nfs/dbraw/zinc/12/95/65/207129565.db2.gz VPYRHLIJGVVLQO-QFIPXVFZSA-N 1 1 394.519 4.992 40 0 GJABMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)cc1 ZINC000019533255 207130601 /nfs/dbraw/zinc/13/06/01/207130601.db2.gz QWQQTTPKTDZYNE-HXUWFJFHSA-N 1 1 380.492 4.807 40 0 GJABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2[nH]ncc2-c2onc(C)c2C)cc1 ZINC000019533255 207130606 /nfs/dbraw/zinc/13/06/06/207130606.db2.gz QWQQTTPKTDZYNE-HXUWFJFHSA-N 1 1 380.492 4.807 40 0 GJABMO CCn1cc(C[N@H+]2CCC[C@@H]2c2cc(Cc3cccc(F)c3)cc(C)n2)cn1 ZINC000019692069 207148767 /nfs/dbraw/zinc/14/87/67/207148767.db2.gz JZNDROSTICWIHV-HSZRJFAPSA-N 1 1 378.495 4.673 40 0 GJABMO Cc1nc([C@H]2CCC[N@H+]2C2CCCC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019743197 207158110 /nfs/dbraw/zinc/15/81/10/207158110.db2.gz IBKPMNZOLZLXKD-OAQYLSRUSA-N 1 1 396.579 4.724 40 0 GJABMO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000020459310 207195321 /nfs/dbraw/zinc/19/53/21/207195321.db2.gz CNLOJAYYGFFSRU-RBBKRZOGSA-N 1 1 382.548 4.768 40 0 GJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072353745 208001854 /nfs/dbraw/zinc/00/18/54/208001854.db2.gz YEVMYQHUFABTHL-FQEVSTJZSA-N 1 1 395.510 4.775 40 0 GJABMO Cc1noc(C)c1-c1cncc([C@H]2CCC[N@H+]2Cc2ccc3ccccc3n2)n1 ZINC000257261072 209061297 /nfs/dbraw/zinc/06/12/97/209061297.db2.gz LFPVAPLJXAGUPP-JOCHJYFZSA-N 1 1 385.471 4.634 40 0 GJABMO CCc1oc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012135181 221157993 /nfs/dbraw/zinc/15/79/93/221157993.db2.gz DWZTVNRHGAYTQO-QLCVBSLISA-N 1 1 376.500 4.510 40 0 GJABMO Cc1cc2cc(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057712702 136153847 /nfs/dbraw/zinc/15/38/47/136153847.db2.gz PNNFNSRSRLNNLK-MRXNPFEDSA-N 1 1 375.516 4.993 40 0 GJABMO Cc1cc2cc(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)c(=O)[nH]c2cc1C ZINC000057712702 136153848 /nfs/dbraw/zinc/15/38/48/136153848.db2.gz PNNFNSRSRLNNLK-MRXNPFEDSA-N 1 1 375.516 4.993 40 0 GJABMO c1ccc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377984 222244570 /nfs/dbraw/zinc/24/45/70/222244570.db2.gz ROYZPIAPKIFZKR-HXUWFJFHSA-N 1 1 396.498 4.543 40 0 GJABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCC[N@H+]2Cc2ccncc2)n1 ZINC000072376857 222244676 /nfs/dbraw/zinc/24/46/76/222244676.db2.gz HSAXFAZBQFCACX-IBGZPJMESA-N 1 1 379.895 4.501 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379124 222245135 /nfs/dbraw/zinc/24/51/35/222245135.db2.gz MVHIAGSPBUYBGR-FQEVSTJZSA-N 1 1 390.531 4.779 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(-n3ccnc3C(C)C)n2)cc1 ZINC000072379118 222245503 /nfs/dbraw/zinc/24/55/03/222245503.db2.gz NVAGRUPUFGKYMU-OAQYLSRUSA-N 1 1 376.504 4.736 40 0 GJABMO CCCCOc1ccc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000408609954 528659240 /nfs/dbraw/zinc/65/92/40/528659240.db2.gz PPNZUAQCNWNICT-UHFFFAOYSA-N 1 1 392.543 4.528 40 0 GJABMO CC(C)(C)CC[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514289852 560031200 /nfs/dbraw/zinc/03/12/00/560031200.db2.gz KEKAFOJARNZDOP-CNNODRBYSA-N 1 1 394.625 4.603 40 0 biogenic,in-vitro GJABMO Fc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 ZINC000035446625 560079164 /nfs/dbraw/zinc/07/91/64/560079164.db2.gz RSCPVUZITIQXCU-ZDUSSCGKSA-N 1 1 379.357 4.590 40 0 biogenic,in-vitro GJABMO Fc1ccc2nc([C@H]3CC[N@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH]c2c1 ZINC000035446625 560079166 /nfs/dbraw/zinc/07/91/66/560079166.db2.gz RSCPVUZITIQXCU-ZDUSSCGKSA-N 1 1 379.357 4.590 40 0 biogenic,in-vitro GJABMO Fc1ccc2nc([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)[nH]c2c1 ZINC000035446625 560079168 /nfs/dbraw/zinc/07/91/68/560079168.db2.gz RSCPVUZITIQXCU-ZDUSSCGKSA-N 1 1 379.357 4.590 40 0 biogenic,in-vitro GJABMO c1ccc(CN2C[C@@H]3C[N@H+](CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1 ZINC000096245622 570224071 /nfs/dbraw/zinc/22/40/71/570224071.db2.gz JIYGBLYRRARIFK-WMPKNSHKSA-N 1 1 382.551 4.882 40 0 GJABMO c1ccc(CN2C[C@@H]3C[N@@H+](CC(c4ccccc4)c4ccccc4)C[C@@H]3C2)cc1 ZINC000096245622 570224073 /nfs/dbraw/zinc/22/40/73/570224073.db2.gz JIYGBLYRRARIFK-WMPKNSHKSA-N 1 1 382.551 4.882 40 0 GJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375729 570340207 /nfs/dbraw/zinc/34/02/07/570340207.db2.gz IVISQLDUXOXMJM-GOSISDBHSA-N 1 1 380.517 4.936 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1 ZINC000222688947 570420721 /nfs/dbraw/zinc/42/07/21/570420721.db2.gz VYVLAVGYAYIVED-GOSISDBHSA-N 1 1 391.515 4.696 40 0 GJABMO COCc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223416284 570465328 /nfs/dbraw/zinc/46/53/28/570465328.db2.gz FIWUBPYGVGCENE-UHFFFAOYSA-N 1 1 386.495 4.644 40 0 GJABMO CCc1ccc(CC)c(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000224922909 570538316 /nfs/dbraw/zinc/53/83/16/570538316.db2.gz QFZGWWLCXRAYJH-LJQANCHMSA-N 1 1 378.560 4.973 40 0 GJABMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000034562146 570542172 /nfs/dbraw/zinc/54/21/72/570542172.db2.gz HSTRHECDIZXXOP-UHFFFAOYSA-N 1 1 391.342 4.564 40 0 GJABMO CC(C)(Cc1ccccc1)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000225191911 570554844 /nfs/dbraw/zinc/55/48/44/570554844.db2.gz NIYPDTOKYLOEPL-UHFFFAOYSA-N 1 1 398.550 4.996 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834227 570585674 /nfs/dbraw/zinc/58/56/74/570585674.db2.gz WITKFYUMONADDU-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000038834227 570585676 /nfs/dbraw/zinc/58/56/76/570585676.db2.gz WITKFYUMONADDU-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2ccc3ccccc3c21 ZINC000039227044 570589579 /nfs/dbraw/zinc/58/95/79/570589579.db2.gz DRZCIIODPUYQIM-UHFFFAOYSA-N 1 1 375.443 4.979 40 0 GJABMO CCOc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225575233 570589755 /nfs/dbraw/zinc/58/97/55/570589755.db2.gz VDRJAWUIKCQIEJ-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(F)cc1 ZINC000225583254 570591266 /nfs/dbraw/zinc/59/12/66/570591266.db2.gz WJTIAVDKVHXTKH-AWEZNQCLSA-N 1 1 392.877 4.708 40 0 GJABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccccc1 ZINC000225583358 570591336 /nfs/dbraw/zinc/59/13/36/570591336.db2.gz LWNVUSUHUCIHML-OAQYLSRUSA-N 1 1 388.914 4.959 40 0 GJABMO Cc1ccc([C@@H](Cc2ccsc2)[NH2+]Cc2cncn2Cc2ccccc2)nc1 ZINC000012087905 570606724 /nfs/dbraw/zinc/60/67/24/570606724.db2.gz RRRBHLIOYXQSLH-HSZRJFAPSA-N 1 1 388.540 4.770 40 0 GJABMO Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1Cl ZINC000004888136 570642666 /nfs/dbraw/zinc/64/26/66/570642666.db2.gz YXRVMTSYWONUII-IHWFROFDSA-N 1 1 382.935 4.964 40 0 GJABMO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)cc1 ZINC000004883130 570642807 /nfs/dbraw/zinc/64/28/07/570642807.db2.gz SGSXADHCDGJSNU-SEJPIABJSA-N 1 1 397.494 4.542 40 0 GJABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=O)Nc2cccc(C)c2)C3)cc1 ZINC000004887954 570642871 /nfs/dbraw/zinc/64/28/71/570642871.db2.gz FJJZIDAYYKUCTC-FRIKZZABSA-N 1 1 393.531 4.711 40 0 GJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000044917331 570643332 /nfs/dbraw/zinc/64/33/32/570643332.db2.gz YCUYMBOCMDOQHD-UHFFFAOYSA-N 1 1 375.472 4.814 40 0 GJABMO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000044932263 570643694 /nfs/dbraw/zinc/64/36/94/570643694.db2.gz ZBUXUXBPHSKZFJ-LJQANCHMSA-N 1 1 380.532 4.636 40 0 GJABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc2c(c1)CCC2 ZINC000004966573 570653742 /nfs/dbraw/zinc/65/37/42/570653742.db2.gz ZODRVOKJPLKZOP-UHFFFAOYSA-N 1 1 391.540 4.603 40 0 GJABMO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1C ZINC000004966380 570653762 /nfs/dbraw/zinc/65/37/62/570653762.db2.gz QCVJQAYLVPFMPV-UHFFFAOYSA-N 1 1 379.529 4.731 40 0 GJABMO CCc1ccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000004966372 570653836 /nfs/dbraw/zinc/65/38/36/570653836.db2.gz UIKWTAADMAKGCP-UHFFFAOYSA-N 1 1 379.529 4.677 40 0 GJABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260816775 570707658 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GJABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019570378 571009765 /nfs/dbraw/zinc/00/97/65/571009765.db2.gz COWBIGYCDIDTOP-LJQANCHMSA-N 1 1 386.455 4.631 40 0 GJABMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574871 571011838 /nfs/dbraw/zinc/01/18/38/571011838.db2.gz LEYNFJPDGUQLHS-FSPWUOQZSA-N 1 1 394.441 4.536 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574871 571011840 /nfs/dbraw/zinc/01/18/40/571011840.db2.gz LEYNFJPDGUQLHS-FSPWUOQZSA-N 1 1 394.441 4.536 40 0 GJABMO Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000019691988 571029767 /nfs/dbraw/zinc/02/97/67/571029767.db2.gz FEIJUCICJGXNKR-JOCHJYFZSA-N 1 1 380.923 4.705 40 0 GJABMO Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000019691988 571029769 /nfs/dbraw/zinc/02/97/69/571029769.db2.gz FEIJUCICJGXNKR-JOCHJYFZSA-N 1 1 380.923 4.705 40 0 GJABMO COc1ccccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439950 212116741 /nfs/dbraw/zinc/11/67/41/212116741.db2.gz BCVSTRYZAONCLL-RPBOFIJWSA-N 1 1 386.539 4.843 40 0 GJABMO COc1ccccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000026439950 212116745 /nfs/dbraw/zinc/11/67/45/212116745.db2.gz BCVSTRYZAONCLL-RPBOFIJWSA-N 1 1 386.539 4.843 40 0 GJABMO CC(C)c1nc(NC2CC2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000329032277 206242620 /nfs/dbraw/zinc/24/26/20/206242620.db2.gz QOLTXQLSWHOJLQ-UHFFFAOYSA-N 1 1 392.425 4.636 40 0 GJABMO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@@H+](CC3CCCCC3)CC[C@H]21 ZINC000019081612 207103051 /nfs/dbraw/zinc/10/30/51/207103051.db2.gz ILWJSGQDGPNAHN-NJDAHSKKSA-N 1 1 388.621 4.991 40 0 GJABMO O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](C3CCCC3)CC[C@@H]21 ZINC000019368986 207119116 /nfs/dbraw/zinc/11/91/16/207119116.db2.gz CEJXOXVBEHGVDY-FKBYEOEOSA-N 1 1 380.557 4.621 40 0 GJABMO c1c([C@H]2CCCCC[N@H+]2Cc2ccccn2)noc1-c1ccc2c(c1)OCO2 ZINC000019401758 207120967 /nfs/dbraw/zinc/12/09/67/207120967.db2.gz 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COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1 ZINC000072376391 208009039 /nfs/dbraw/zinc/00/90/39/208009039.db2.gz NHBZVIWOJAHQSJ-HXUWFJFHSA-N 1 1 389.503 4.578 40 0 GJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H]1c1cncc(Nc2ncccc2C)n1 ZINC000072376391 208009046 /nfs/dbraw/zinc/00/90/46/208009046.db2.gz NHBZVIWOJAHQSJ-HXUWFJFHSA-N 1 1 389.503 4.578 40 0 GJABMO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC000096071321 208259744 /nfs/dbraw/zinc/25/97/44/208259744.db2.gz AJEBRTIJKUNDNG-QHCPKHFHSA-N 1 1 382.935 4.540 40 0 GJABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)ccc1OC(C)C ZINC000012345316 221184109 /nfs/dbraw/zinc/18/41/09/221184109.db2.gz BQKKSVWAFAUGSN-SVGJNIJCSA-N 1 1 399.506 4.636 40 0 GJABMO Cc1ccsc1C[N@@H+](Cc1c(C)nn(-c2ccccc2C)c1C)C[C@H](C)O ZINC000012185450 221164177 /nfs/dbraw/zinc/16/41/77/221164177.db2.gz VJILNGIJTZUZLT-KRWDZBQOSA-N 1 1 383.561 4.550 40 0 GJABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc3cccnc32)cc1OC ZINC000013989953 221296325 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O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030944150 570501744 /nfs/dbraw/zinc/50/17/44/570501744.db2.gz DIDVEXUDIXOIBX-DEOSSOPVSA-N 1 1 384.523 4.804 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1c(Cl)cccc1Cl ZINC000225354975 570566936 /nfs/dbraw/zinc/56/69/36/570566936.db2.gz JCLVNPXATLBBGN-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 ZINC000071806458 570576133 /nfs/dbraw/zinc/57/61/33/570576133.db2.gz KRWLCTLHIQUZKC-UHFFFAOYSA-N 1 1 398.721 4.651 40 0 GJABMO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225619435 570595324 /nfs/dbraw/zinc/59/53/24/570595324.db2.gz FXFJOGWUNABMSE-XXBNENTESA-N 1 1 390.568 4.721 40 0 GJABMO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000225699208 570605645 /nfs/dbraw/zinc/60/56/45/570605645.db2.gz MYCDEBUDJMHQMK-CVDCTZTESA-N 1 1 390.568 4.864 40 0 GJABMO COc1ccc(-c2[nH+]c3cccc(C)n3c2NCCc2ccccc2)cc1OC ZINC000004848469 570634871 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40 0 GJABMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c1C ZINC000004966377 570653906 /nfs/dbraw/zinc/65/39/06/570653906.db2.gz AEOVPHCYOYHSRK-UHFFFAOYSA-N 1 1 379.529 4.731 40 0 GJABMO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812355 570707311 /nfs/dbraw/zinc/70/73/11/570707311.db2.gz ASDCRBYWEXGYHB-AUSIDOKSSA-N 1 1 390.568 4.864 40 0 GJABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260818230 570708775 /nfs/dbraw/zinc/70/87/75/570708775.db2.gz YFWBUUGCLCQBOF-WMZHIEFXSA-N 1 1 390.568 4.721 40 0 GJABMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000260941139 570714898 /nfs/dbraw/zinc/71/48/98/570714898.db2.gz RAEZAAZRMUJZOP-MBSDFSHPSA-N 1 1 394.534 4.794 40 0 GJABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccc(Cl)cn4)[C@@H]3C[C@H]21 ZINC000257234429 570766081 /nfs/dbraw/zinc/76/60/81/570766081.db2.gz GTMZHPZJDSTNBC-UKAVVXHISA-N 1 1 384.907 4.627 40 0 GJABMO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@@H+](Cc4ccc(Cl)cn4)[C@@H]3C[C@H]21 ZINC000257234429 570766084 /nfs/dbraw/zinc/76/60/84/570766084.db2.gz GTMZHPZJDSTNBC-UKAVVXHISA-N 1 1 384.907 4.627 40 0 GJABMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063653 570773870 /nfs/dbraw/zinc/77/38/70/570773870.db2.gz VCYAHPBXWLVKBG-UHFFFAOYSA-N 1 1 381.278 4.983 40 0 GJABMO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](CC(c4ccccc4)c4ccccc4)C[C@@H]32)nc1 ZINC000019215741 570961863 /nfs/dbraw/zinc/96/18/63/570961863.db2.gz JBWTUVQNZDOIGK-NRRYGQPISA-N 1 1 398.550 4.752 40 0 GJABMO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000019400454 570982443 /nfs/dbraw/zinc/98/24/43/570982443.db2.gz ANZNQKFCIDZDIG-FBLLAGFSSA-N 1 1 395.591 4.888 40 0 GJABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)no2)cn1 ZINC000019524921 570996738 /nfs/dbraw/zinc/99/67/38/570996738.db2.gz JMPYGEJANCLVON-NRFANRHFSA-N 1 1 380.492 4.684 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@@H+]3Cc3cn(C)nc3C)no2)cc1 ZINC000019583858 571014593 /nfs/dbraw/zinc/01/45/93/571014593.db2.gz HFRXJQLKCAOMKN-NRFANRHFSA-N 1 1 380.492 4.509 40 0 GJABMO COc1ccc(-c2cc([C@@H]3CCCCC[N@H+]3Cc3cn(C)nc3C)no2)cc1 ZINC000019583858 571014598 /nfs/dbraw/zinc/01/45/98/571014598.db2.gz HFRXJQLKCAOMKN-NRFANRHFSA-N 1 1 380.492 4.509 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2Cl)cc1 ZINC000225373766 231034026 /nfs/dbraw/zinc/03/40/26/231034026.db2.gz ATBKHNAPXVSTCE-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)C1 ZINC000224921933 222665738 /nfs/dbraw/zinc/66/57/38/222665738.db2.gz YSLCALKXZBEOBL-LJQANCHMSA-N 1 1 377.532 4.771 40 0 GJABMO Cc1cccc2c(Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)cc[nH+]c12 ZINC000032609542 212109299 /nfs/dbraw/zinc/10/92/99/212109299.db2.gz SMAOWGJORAPYDS-UHFFFAOYSA-N 1 1 395.528 4.852 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1CCc1ccccc1)c1ccccn1 ZINC000019081706 207102852 /nfs/dbraw/zinc/10/28/52/207102852.db2.gz LRGFKSWVIAQCKE-JTHBVZDNSA-N 1 1 393.575 4.772 40 0 GJABMO c1c([C@H]2CCCCC[N@H+]2Cc2ccncc2)noc1-c1ccc2c(c1)OCO2 ZINC000019346365 207119054 /nfs/dbraw/zinc/11/90/54/207119054.db2.gz OPJVEWKOJSTLBX-LJQANCHMSA-N 1 1 377.444 4.583 40 0 GJABMO c1c([C@H]2CCCCC[N@@H+]2Cc2ccncc2)noc1-c1ccc2c(c1)OCO2 ZINC000019346365 207119059 /nfs/dbraw/zinc/11/90/59/207119059.db2.gz OPJVEWKOJSTLBX-LJQANCHMSA-N 1 1 377.444 4.583 40 0 GJABMO Fc1ccc(-n2cc(C[N@@H+](CCc3ccccc3)Cc3ccncc3)cn2)cc1 ZINC000019371161 207119310 /nfs/dbraw/zinc/11/93/10/207119310.db2.gz NCSDZTZMKLOHNA-UHFFFAOYSA-N 1 1 386.474 4.651 40 0 GJABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)cc1OC ZINC000019531803 207129707 /nfs/dbraw/zinc/12/97/07/207129707.db2.gz BPFAWRYIYYIWST-SFHVURJKSA-N 1 1 379.504 4.658 40 0 GJABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)Cc2csc(-c3ccccc3)n2)c1 ZINC000019718771 207154976 /nfs/dbraw/zinc/15/49/76/207154976.db2.gz KAKAVYIWOKEHML-UHFFFAOYSA-N 1 1 388.496 4.545 40 0 GJABMO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000030944147 207378400 /nfs/dbraw/zinc/37/84/00/207378400.db2.gz DIDVEXUDIXOIBX-XMMPIXPASA-N 1 1 384.523 4.804 40 0 GJABMO C[C@@H](C[N@H+]1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 ZINC000072352778 208000093 /nfs/dbraw/zinc/00/00/93/208000093.db2.gz UOPJJORNGHLBHK-ICSRJNTNSA-N 1 1 395.547 4.720 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cnn1C ZINC000072353981 208001837 /nfs/dbraw/zinc/00/18/37/208001837.db2.gz AUEGDZMJTOTZPO-NRFANRHFSA-N 1 1 392.522 4.541 40 0 GJABMO FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072358588 208003548 /nfs/dbraw/zinc/00/35/48/208003548.db2.gz DAZKYMHURASUOM-SFHVURJKSA-N 1 1 398.432 4.937 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-n4ccnc4C(C)C)n3)C2)cc1 ZINC000072379123 208011200 /nfs/dbraw/zinc/01/12/00/208011200.db2.gz MVHIAGSPBUYBGR-HXUWFJFHSA-N 1 1 390.531 4.779 40 0 GJABMO c1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 ZINC000049155474 208451541 /nfs/dbraw/zinc/45/15/41/208451541.db2.gz SPCRPRGWDPBOQZ-NRFANRHFSA-N 1 1 383.455 4.531 40 0 biogenic,in-vitro GJABMO c1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 ZINC000049155474 208451547 /nfs/dbraw/zinc/45/15/47/208451547.db2.gz SPCRPRGWDPBOQZ-NRFANRHFSA-N 1 1 383.455 4.531 40 0 biogenic,in-vitro GJABMO Cc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306133111 209102251 /nfs/dbraw/zinc/10/22/51/209102251.db2.gz MCLBOKYXLFSOLK-XMMPIXPASA-N 1 1 398.510 4.587 40 0 GJABMO Cc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)c1 ZINC000306133111 209102256 /nfs/dbraw/zinc/10/22/56/209102256.db2.gz MCLBOKYXLFSOLK-XMMPIXPASA-N 1 1 398.510 4.587 40 0 GJABMO CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](Cc4cscn4)CC3)C[C@@H]21 ZINC000257270775 209065200 /nfs/dbraw/zinc/06/52/00/209065200.db2.gz MVPXBKYZQKAQIT-AZUAARDMSA-N 1 1 384.545 4.674 40 0 GJABMO Cc1cc(C)c2[nH]c(=O)c(CNc3ccc([NH+]4CCC(C)CC4)cc3)cc2c1 ZINC000057712751 136153895 /nfs/dbraw/zinc/15/38/95/136153895.db2.gz XJRJKUDIPJGBJA-UHFFFAOYSA-N 1 1 375.516 4.993 40 0 GJABMO CCn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350304 222237829 /nfs/dbraw/zinc/23/78/29/222237829.db2.gz NDQRRKKMRMJAMA-LJQANCHMSA-N 1 1 394.950 4.922 40 0 GJABMO CCn1ccnc1C[N@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350304 222237833 /nfs/dbraw/zinc/23/78/33/222237833.db2.gz NDQRRKKMRMJAMA-LJQANCHMSA-N 1 1 394.950 4.922 40 0 GJABMO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1cncc(Nc2ncccc2C)n1 ZINC000072376392 222244910 /nfs/dbraw/zinc/24/49/10/222244910.db2.gz NHBZVIWOJAHQSJ-FQEVSTJZSA-N 1 1 389.503 4.578 40 0 GJABMO COc1cc(C)ccc1C[N@H+]1CCC[C@H]1c1cncc(Nc2ncccc2C)n1 ZINC000072376392 222244912 /nfs/dbraw/zinc/24/49/12/222244912.db2.gz NHBZVIWOJAHQSJ-FQEVSTJZSA-N 1 1 389.503 4.578 40 0 GJABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4F)o3)C[C@H]21 ZINC000072392525 222248781 /nfs/dbraw/zinc/24/87/81/222248781.db2.gz PTMDSZULALRAOX-IQOKHDRSSA-N 1 1 392.474 4.519 40 0 GJABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C[C@H]21 ZINC000072392526 222249049 /nfs/dbraw/zinc/24/90/49/222249049.db2.gz NOKHZTVSSXYTMM-VNZMSGEBSA-N 1 1 392.474 4.519 40 0 GJABMO C[N@H+]1CCC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 ZINC000585263057 570231238 /nfs/dbraw/zinc/23/12/38/570231238.db2.gz XWVWLNRLKPZSLH-MRXNPFEDSA-N 1 1 382.508 4.972 40 0 GJABMO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020492118 570263092 /nfs/dbraw/zinc/26/30/92/570263092.db2.gz DBWYYRGEHNUUHU-FQEVSTJZSA-N 1 1 394.559 4.680 40 0 GJABMO C[C@H]1CCC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)C1 ZINC000020569776 570268605 /nfs/dbraw/zinc/26/86/05/570268605.db2.gz UWADVROSAKPYEC-ZTCOLXNVSA-N 1 1 382.592 4.758 40 0 GJABMO Cc1cc(N2CCCCC2)[nH+]cc1[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000072219216 570318176 /nfs/dbraw/zinc/31/81/76/570318176.db2.gz PKZXVKVKPNZGGY-OAQYLSRUSA-N 1 1 379.504 4.854 40 0 GJABMO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccc(C)cc2)cc1 ZINC000004887979 570415650 /nfs/dbraw/zinc/41/56/50/570415650.db2.gz XFOGBLJIRIVPMT-FRIKZZABSA-N 1 1 393.531 4.711 40 0 GJABMO CC(C)c1ccc(CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000222602089 570416379 /nfs/dbraw/zinc/41/63/79/570416379.db2.gz VPBHXVUCAGQVSY-HSZRJFAPSA-N 1 1 396.550 4.910 40 0 GJABMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 ZINC000222992926 570435810 /nfs/dbraw/zinc/43/58/10/570435810.db2.gz RAEZAAZRMUJZOP-WZONZLPQSA-N 1 1 394.534 4.794 40 0 GJABMO CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260408936 570480275 /nfs/dbraw/zinc/48/02/75/570480275.db2.gz TWYOXYUIWIIMBY-IEBWSBKVSA-N 1 1 383.001 4.982 40 0 GJABMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000029903674 570482346 /nfs/dbraw/zinc/48/23/46/570482346.db2.gz PJHGPUBQEFGBFI-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832901 570584579 /nfs/dbraw/zinc/58/45/79/570584579.db2.gz YJGAPRNRIBZISL-GOSISDBHSA-N 1 1 391.342 4.864 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038832906 570584726 /nfs/dbraw/zinc/58/47/26/570584726.db2.gz ZEZJHYHGZRDWJA-KRWDZBQOSA-N 1 1 391.342 4.864 40 0 GJABMO COc1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038834191 570585639 /nfs/dbraw/zinc/58/56/39/570585639.db2.gz XNKVUIHMGQNXCX-UHFFFAOYSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835073 570586509 /nfs/dbraw/zinc/58/65/09/570586509.db2.gz DSUYVEYJZYKDAN-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038835073 570586512 /nfs/dbraw/zinc/58/65/12/570586512.db2.gz DSUYVEYJZYKDAN-AWEZNQCLSA-N 1 1 393.314 4.853 40 0 GJABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000038848725 570586884 /nfs/dbraw/zinc/58/68/84/570586884.db2.gz LZSPFZOOWDQDJT-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225576448 570590288 /nfs/dbraw/zinc/59/02/88/570590288.db2.gz CZTHAODXVHNDQM-UHFFFAOYSA-N 1 1 395.305 4.661 40 0 GJABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000225731110 570610155 /nfs/dbraw/zinc/61/01/55/570610155.db2.gz NSTWCSJPGHITCT-AUSIDOKSSA-N 1 1 390.568 4.721 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1CCc1ccccc1 ZINC000044900070 570639996 /nfs/dbraw/zinc/63/99/96/570639996.db2.gz JMRXCYVCDZTQQG-UHFFFAOYSA-N 1 1 395.506 4.896 40 0 GJABMO Fc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(NC(=S)NC2CCCCC2)C3)cc1 ZINC000004887936 570642567 /nfs/dbraw/zinc/64/25/67/570642567.db2.gz BLBVCNXVLVKROY-SEJPIABJSA-N 1 1 389.584 4.508 40 0 GJABMO COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000044937379 570644456 /nfs/dbraw/zinc/64/44/56/570644456.db2.gz SFFWFGGZNXXPSZ-QHCPKHFHSA-N 1 1 391.515 4.766 40 0 GJABMO CC[N@@H+](Cc1nc(-c2cccnc2OC2CCCCC2)no1)C1CCCCC1 ZINC000012365417 570646773 /nfs/dbraw/zinc/64/67/73/570646773.db2.gz VRJZQRZIZHMCMX-UHFFFAOYSA-N 1 1 384.524 4.998 40 0 GJABMO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260814747 570707693 /nfs/dbraw/zinc/70/76/93/570707693.db2.gz NBYZTEJFSXBZJX-AUSIDOKSSA-N 1 1 390.568 4.864 40 0 GJABMO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000260814478 570707942 /nfs/dbraw/zinc/70/79/42/570707942.db2.gz JJYISHUFBGRJHJ-CVDCTZTESA-N 1 1 390.568 4.721 40 0 GJABMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063672 570773846 /nfs/dbraw/zinc/77/38/46/570773846.db2.gz MSTHTBBPQWXWLQ-UHFFFAOYSA-N 1 1 395.305 4.661 40 0 GJABMO COc1ccc(C[N@H+](Cc2ccncc2)C[C@H](C)c2ccccc2)cc1OC ZINC000013989942 570868312 /nfs/dbraw/zinc/86/83/12/570868312.db2.gz NSLVFAPXVHMTQG-IBGZPJMESA-N 1 1 376.500 4.905 40 0 GJABMO Cc1nc(C)c(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)s1 ZINC000585100594 570924792 /nfs/dbraw/zinc/92/47/92/570924792.db2.gz OZFAVUAHRUVFPS-JOCHJYFZSA-N 1 1 389.609 4.687 40 0 GJABMO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000019454624 570925956 /nfs/dbraw/zinc/92/59/56/570925956.db2.gz TYYIDXYYJUXZQL-GOSISDBHSA-N 1 1 397.548 4.519 40 0 GJABMO COCc1ccc(OC)c(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)c1 ZINC000019240068 570968589 /nfs/dbraw/zinc/96/85/89/570968589.db2.gz JAEDXTQNSKSLTK-SFHVURJKSA-N 1 1 388.558 4.742 40 0 GJABMO Fc1ccc([C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2cccc(F)c2)cc1 ZINC000019293771 570973197 /nfs/dbraw/zinc/97/31/97/570973197.db2.gz MGCRSPYOIKJTIS-XZOQPEGZSA-N 1 1 380.438 4.545 40 0 GJABMO O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408610700 231078275 /nfs/dbraw/zinc/07/82/75/231078275.db2.gz ROEIWOOYQMQPFS-GOSISDBHSA-N 1 1 389.326 4.656 40 0 GJABMO CC1(C)[C@@H]2CC[C@@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccccc3c3ccccc31)C2 ZINC000000626724 212166035 /nfs/dbraw/zinc/16/60/35/212166035.db2.gz DNUFRGCCNUMJNP-WYEJZRMESA-N 1 1 376.544 4.914 40 0 GJABMO Cc1cccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=[NH+]CCCCC2)c1C ZINC000008415110 209134892 /nfs/dbraw/zinc/13/48/92/209134892.db2.gz XJHHJENJJXWXEI-UHFFFAOYSA-N 1 1 392.499 4.736 40 0 GJABMO Clc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329049537 206242555 /nfs/dbraw/zinc/24/25/55/206242555.db2.gz UPMREHBJHJFKHE-UHFFFAOYSA-N 1 1 390.918 4.604 40 0 GJABMO CCOc1cc(C[NH2+][C@@H](Cc2cccs2)c2nc(C)cs2)ccc1OC ZINC000019532137 207130217 /nfs/dbraw/zinc/13/02/17/207130217.db2.gz VHQLWTOYEAFHMI-KRWDZBQOSA-N 1 1 388.558 4.994 40 0 GJABMO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019406586 207122239 /nfs/dbraw/zinc/12/22/39/207122239.db2.gz AVSQJNUIJIPHQT-FKBYEOEOSA-N 1 1 386.605 4.745 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 ZINC000020456836 207194591 /nfs/dbraw/zinc/19/45/91/207194591.db2.gz MEAFZWXFMKKBEP-LJQANCHMSA-N 1 1 382.573 4.582 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCSCc3ccccc3)cc2)C1 ZINC000020456837 207195080 /nfs/dbraw/zinc/19/50/80/207195080.db2.gz MEAFZWXFMKKBEP-IBGZPJMESA-N 1 1 382.573 4.582 40 0 GJABMO CCOc1ccccc1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020492116 207199686 /nfs/dbraw/zinc/19/96/86/207199686.db2.gz DBWYYRGEHNUUHU-HXUWFJFHSA-N 1 1 394.559 4.680 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 ZINC000072359811 208002702 /nfs/dbraw/zinc/00/27/02/208002702.db2.gz OZSZIHBJNKCKOO-KRWDZBQOSA-N 1 1 393.922 4.613 40 0 GJABMO Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cccs2)c1 ZINC000008690317 221049494 /nfs/dbraw/zinc/04/94/94/221049494.db2.gz WBWVGGCUSNNYOF-YQQQUEKLSA-N 1 1 385.602 4.929 40 0 GJABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccc(Cl)cc2)cc1OC ZINC000013989490 221294401 /nfs/dbraw/zinc/29/44/01/221294401.db2.gz FVYHFBPHNSXCMW-UHFFFAOYSA-N 1 1 396.918 4.997 40 0 GJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000057712686 136153844 /nfs/dbraw/zinc/15/38/44/136153844.db2.gz FWEOOLXQCRBINC-MRXNPFEDSA-N 1 1 375.516 4.993 40 0 GJABMO Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc([N@H+]4CCC[C@@H](C)C4)cc3)cc12 ZINC000057712686 136153845 /nfs/dbraw/zinc/15/38/45/136153845.db2.gz FWEOOLXQCRBINC-MRXNPFEDSA-N 1 1 375.516 4.993 40 0 GJABMO CCn1c2cc(OC)ccc2cc(CNc2ccc([NH+]3CCCCC3)cc2)c1=O ZINC000013564219 136201290 /nfs/dbraw/zinc/20/12/90/136201290.db2.gz AAHNIVDLENOSQO-UHFFFAOYSA-N 1 1 391.515 4.632 40 0 GJABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)[nH]n2)cc1 ZINC000072380049 222244608 /nfs/dbraw/zinc/24/46/08/222244608.db2.gz AFZVCANFGACJNF-NRFANRHFSA-N 1 1 390.531 4.539 40 0 GJABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccncc4)C3)n[nH]2)cc1 ZINC000072380049 222244610 /nfs/dbraw/zinc/24/46/10/222244610.db2.gz AFZVCANFGACJNF-NRFANRHFSA-N 1 1 390.531 4.539 40 0 GJABMO CC(C)c1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)n[nH]2)cc1 ZINC000072380049 222244613 /nfs/dbraw/zinc/24/46/13/222244613.db2.gz AFZVCANFGACJNF-NRFANRHFSA-N 1 1 390.531 4.539 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCSc2ccc(Cl)cc2)cc1 ZINC000019932148 570231257 /nfs/dbraw/zinc/23/12/57/570231257.db2.gz RRNSKDSFLDHOIH-UHFFFAOYSA-N 1 1 385.920 4.633 40 0 GJABMO Cc1ccc(SCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020451930 570257332 /nfs/dbraw/zinc/25/73/32/570257332.db2.gz ZOGIKJRRMZCRBK-LJQANCHMSA-N 1 1 382.573 4.749 40 0 GJABMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CCC3(CC3(F)F)CC2)cc1 ZINC000664372781 570284734 /nfs/dbraw/zinc/28/47/34/570284734.db2.gz JBTOQWLPFSAASK-JTOQLSFASA-N 1 1 388.462 4.509 40 0 GJABMO O=C(Nc1ccccc1)N1C[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)[C@@H]2C1 ZINC000107249611 570308951 /nfs/dbraw/zinc/30/89/51/570308951.db2.gz VGBVRAUDLWKVSQ-RCZVLFRGSA-N 1 1 397.522 4.667 40 0 GJABMO O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044932899 570322586 /nfs/dbraw/zinc/32/25/86/570322586.db2.gz FSDONOWWWAUSTK-UGKGYDQZSA-N 1 1 382.935 4.746 40 0 GJABMO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219415009 570359750 /nfs/dbraw/zinc/35/97/50/570359750.db2.gz QBWMBBGHPKVHPF-UHFFFAOYSA-N 1 1 391.342 4.864 40 0 GJABMO CCOc1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913774 570378912 /nfs/dbraw/zinc/37/89/12/570378912.db2.gz ZYADZBARXRUUER-UHFFFAOYSA-N 1 1 386.495 4.896 40 0 GJABMO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004883316 570415303 /nfs/dbraw/zinc/41/53/03/570415303.db2.gz PNZPGFYCLJMZHY-AYHJJNSGSA-N 1 1 399.560 4.854 40 0 GJABMO Cc1ccc2[nH]c(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4C)CC3)nc2c1 ZINC000005626061 570449533 /nfs/dbraw/zinc/44/95/33/570449533.db2.gz UQHYMIBJUMAGLI-UHFFFAOYSA-N 1 1 396.922 4.651 40 0 GJABMO Cc1ccc2nc(C3CC[NH+](CC(=O)Nc4cccc(Cl)c4C)CC3)[nH]c2c1 ZINC000005626061 570449537 /nfs/dbraw/zinc/44/95/37/570449537.db2.gz UQHYMIBJUMAGLI-UHFFFAOYSA-N 1 1 396.922 4.651 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)C1 ZINC000223917642 570490138 /nfs/dbraw/zinc/49/01/38/570490138.db2.gz RNUBLTGWVAXDKE-INIZCTEOSA-N 1 1 390.449 4.867 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1OCc1ccccc1 ZINC000030847911 570497892 /nfs/dbraw/zinc/49/78/92/570497892.db2.gz GLNHGIJQWYCZDS-UHFFFAOYSA-N 1 1 397.478 4.690 40 0 GJABMO C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000030943699 570501510 /nfs/dbraw/zinc/50/15/10/570501510.db2.gz UNWOBXVDRSACRZ-GHTZIAJQSA-N 1 1 384.951 4.690 40 0 GJABMO C[N@H+]1CCC[C@@H](CNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)C1 ZINC000009876527 570561961 /nfs/dbraw/zinc/56/19/61/570561961.db2.gz WSJSILTXEANKKH-HNNXBMFYSA-N 1 1 389.952 4.761 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225331438 570565315 /nfs/dbraw/zinc/56/53/15/570565315.db2.gz KRCPEGXOYCSLBB-UHFFFAOYSA-N 1 1 388.298 4.737 40 0 GJABMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832902 570584627 /nfs/dbraw/zinc/58/46/27/570584627.db2.gz YJGAPRNRIBZISL-SFHVURJKSA-N 1 1 391.342 4.864 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3Br)cc2)C1 ZINC000038834920 570586294 /nfs/dbraw/zinc/58/62/94/570586294.db2.gz RVMXJGPEHOHGGT-HNNXBMFYSA-N 1 1 387.321 4.933 40 0 GJABMO COc1ccc(Cl)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038849386 570587772 /nfs/dbraw/zinc/58/77/72/570587772.db2.gz YNXDFTIXKWBIHV-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849234 570587832 /nfs/dbraw/zinc/58/78/32/570587832.db2.gz RXIGXSRMSWJDMF-CYBMUJFWSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000038849234 570587834 /nfs/dbraw/zinc/58/78/34/570587834.db2.gz RXIGXSRMSWJDMF-CYBMUJFWSA-N 1 1 381.278 4.983 40 0 GJABMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580031 570590810 /nfs/dbraw/zinc/59/08/10/570590810.db2.gz KZQDVVPCSUXQCW-UHFFFAOYSA-N 1 1 395.305 4.661 40 0 GJABMO COc1cc(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C(C)C ZINC000225662850 570599735 /nfs/dbraw/zinc/59/97/35/570599735.db2.gz JHHCXYXIWCBZDP-UHFFFAOYSA-N 1 1 377.488 4.551 40 0 GJABMO O=c1c(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)coc2ccc(Cl)cc12 ZINC000057810970 570703668 /nfs/dbraw/zinc/70/36/68/570703668.db2.gz WTNXYIIUCVCFFU-LJQANCHMSA-N 1 1 383.875 4.628 40 0 GJABMO O=c1c(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)coc2ccc(Cl)cc12 ZINC000057810970 570703674 /nfs/dbraw/zinc/70/36/74/570703674.db2.gz WTNXYIIUCVCFFU-LJQANCHMSA-N 1 1 383.875 4.628 40 0 GJABMO CCOC1(C(=O)Nc2ccc(OCCC[N@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260812350 570707275 /nfs/dbraw/zinc/70/72/75/570707275.db2.gz ARBBDOMBESPRPC-LJQANCHMSA-N 1 1 388.552 4.618 40 0 GJABMO Cc1nc(C[NH+]2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)cs1 ZINC000257231346 570764937 /nfs/dbraw/zinc/76/49/37/570764937.db2.gz GGGXRVJWUZQLLJ-PZJWPPBQSA-N 1 1 398.572 4.983 40 0 GJABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccc(F)c(F)c4)C3)o2)s1 ZINC000019217613 570962417 /nfs/dbraw/zinc/96/24/17/570962417.db2.gz ABKPAUJLIKVBML-AWEZNQCLSA-N 1 1 375.444 4.764 40 0 GJABMO Cc1ccsc1-c1nnc(C2CC[NH+](Cc3ccc(F)c(F)c3)CC2)o1 ZINC000019238721 570967822 /nfs/dbraw/zinc/96/78/22/570967822.db2.gz ICJONLVVICRQKM-UHFFFAOYSA-N 1 1 375.444 4.764 40 0 GJABMO COc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC ZINC000019559864 571004938 /nfs/dbraw/zinc/00/49/38/571004938.db2.gz DUDKEFZRABNYDH-KRWDZBQOSA-N 1 1 388.558 4.912 40 0 GJABMO CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000019690452 571029072 /nfs/dbraw/zinc/02/90/72/571029072.db2.gz VKEBVCPKHRSTFR-NRFANRHFSA-N 1 1 376.479 4.686 40 0 GJABMO CC(C)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328993729 212092357 /nfs/dbraw/zinc/09/23/57/212092357.db2.gz JAKNXACGFLFJCV-UHFFFAOYSA-N 1 1 394.441 4.882 40 0 GJABMO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006009208 209127041 /nfs/dbraw/zinc/12/70/41/209127041.db2.gz UKFZRHVJMLZHMW-RUZDIDTESA-N 1 1 390.571 4.688 40 0 GJABMO CC1(C)Cc2ccccc2CN1c1cc(C2CC2)[nH+]c(NCc2ccccc2)n1 ZINC000328998548 206241669 /nfs/dbraw/zinc/24/16/69/206241669.db2.gz JSPAOCMNLMLQHP-UHFFFAOYSA-N 1 1 384.527 4.729 40 0 GJABMO COc1ccccc1C[N@@H+]1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019570381 207137201 /nfs/dbraw/zinc/13/72/01/207137201.db2.gz COWBIGYCDIDTOP-IBGZPJMESA-N 1 1 386.455 4.631 40 0 GJABMO COc1ccccc1C[N@H+]1CCC[C@H]1c1nnc(-c2nccc3ccccc32)o1 ZINC000019570381 207137205 /nfs/dbraw/zinc/13/72/05/207137205.db2.gz COWBIGYCDIDTOP-IBGZPJMESA-N 1 1 386.455 4.631 40 0 GJABMO Cc1ccc(CSCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020454985 207195291 /nfs/dbraw/zinc/19/52/91/207195291.db2.gz CJWCYDCFISIUDC-FQEVSTJZSA-N 1 1 396.600 4.890 40 0 GJABMO O=C(c1cccc(Cl)c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020530707 207201825 /nfs/dbraw/zinc/20/18/25/207201825.db2.gz SSLBZUDCISCQHK-UHFFFAOYSA-N 1 1 388.898 4.868 40 0 GJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCCc3ccccc3Cl)cc2)C1 ZINC000030751638 207374363 /nfs/dbraw/zinc/37/43/63/207374363.db2.gz GPBUEPJJXPAMNC-SFHVURJKSA-N 1 1 384.951 4.935 40 0 GJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000072371236 208005694 /nfs/dbraw/zinc/00/56/94/208005694.db2.gz JFBUGPFOWRYSND-LJQANCHMSA-N 1 1 395.934 4.717 40 0 GJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371236 208005700 /nfs/dbraw/zinc/00/57/00/208005700.db2.gz JFBUGPFOWRYSND-LJQANCHMSA-N 1 1 395.934 4.717 40 0 GJABMO Clc1ccccc1OCCc1cc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n[nH]1 ZINC000072371236 208005708 /nfs/dbraw/zinc/00/57/08/208005708.db2.gz JFBUGPFOWRYSND-LJQANCHMSA-N 1 1 395.934 4.717 40 0 GJABMO Clc1ccccc1C[N@H+]1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072375922 208008933 /nfs/dbraw/zinc/00/89/33/208008933.db2.gz VSRDUJNTFRGVDR-QGZVFWFLSA-N 1 1 379.895 4.648 40 0 GJABMO COc1ccc(CC[N@H+](Cc2ccncc2)Cc2ccc(F)cc2F)cc1OC ZINC000013989522 221293985 /nfs/dbraw/zinc/29/39/85/221293985.db2.gz CNERFUBTIHTCKM-UHFFFAOYSA-N 1 1 398.453 4.622 40 0 GJABMO COc1ccc(CC[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2F)cc1OC ZINC000013989522 221293989 /nfs/dbraw/zinc/29/39/89/221293989.db2.gz CNERFUBTIHTCKM-UHFFFAOYSA-N 1 1 398.453 4.622 40 0 GJABMO COc1ccc2[nH]c(=O)c(CNc3ccc([N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)cc2c1 ZINC000057718371 136153963 /nfs/dbraw/zinc/15/39/63/136153963.db2.gz JYNXUVWLFSXVJX-CALCHBBNSA-N 1 1 391.515 4.631 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 ZINC000072359131 222239768 /nfs/dbraw/zinc/23/97/68/222239768.db2.gz AQHCOTZDWIEHLV-KRWDZBQOSA-N 1 1 393.922 4.613 40 0 GJABMO CNc1ncccc1C[N@H+]1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 ZINC000072358222 222240113 /nfs/dbraw/zinc/24/01/13/222240113.db2.gz KKNPCWBTDVCFMD-JOCHJYFZSA-N 1 1 376.479 4.585 40 0 GJABMO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@@H+](Cc4cccs4)C3)n2)c1 ZINC000072369953 222240670 /nfs/dbraw/zinc/24/06/70/222240670.db2.gz ZJQUTWQPWMVKRE-CYBMUJFWSA-N 1 1 379.407 4.806 40 0 GJABMO Fc1ccccc1C[N@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000072369949 222240860 /nfs/dbraw/zinc/24/08/60/222240860.db2.gz PBSNXZWMVKKREJ-HNNXBMFYSA-N 1 1 391.368 4.884 40 0 GJABMO O=C1CC[C@]2(CCC[N@H+](Cc3ccc(F)cc3)CC2)N1Cc1cccc(F)c1 ZINC000096047553 222375652 /nfs/dbraw/zinc/37/56/52/222375652.db2.gz JDEGDTFOYAKVBX-QHCPKHFHSA-N 1 1 384.470 4.512 40 0 GJABMO Cc1nn(-c2ccccc2C)c(C)c1-c1cncn1CC[N@H+](C)C1CCCC1 ZINC000019719658 570210610 /nfs/dbraw/zinc/21/06/10/570210610.db2.gz JSUFACFQXATJIU-UHFFFAOYSA-N 1 1 377.536 4.535 40 0 GJABMO Cc1ccc(Cl)c(OC[C@@]2(O)CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000585271278 570239764 /nfs/dbraw/zinc/23/97/64/570239764.db2.gz VUOWLNUDRNOZMW-JOCHJYFZSA-N 1 1 384.907 4.536 40 0 GJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376769 570340354 /nfs/dbraw/zinc/34/03/54/570340354.db2.gz HWJKRBSHGDITMN-OAQYLSRUSA-N 1 1 392.478 4.601 40 0 GJABMO CSc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(F)cc2)cc1 ZINC000004882771 570415324 /nfs/dbraw/zinc/41/53/24/570415324.db2.gz KLUCXZWHVIVPDN-IHWFROFDSA-N 1 1 399.535 4.865 40 0 GJABMO CCC(CC)C[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)CC ZINC000005063200 570427507 /nfs/dbraw/zinc/42/75/07/570427507.db2.gz XQDQBYIIIBVIBX-GREBRCKQSA-N 1 1 375.553 4.590 40 0 GJABMO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039744708 570446956 /nfs/dbraw/zinc/44/69/56/570446956.db2.gz GUKLMUKXEDVTEO-UHFFFAOYSA-N 1 1 382.813 4.608 40 0 GJABMO Cc1cc(C)cc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2cccs2)c1 ZINC000035310748 570465867 /nfs/dbraw/zinc/46/58/67/570465867.db2.gz MRGKAEJOUFUMCV-YQQQUEKLSA-N 1 1 385.602 4.847 40 0 GJABMO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000260449389 570487493 /nfs/dbraw/zinc/48/74/93/570487493.db2.gz CNLOJAYYGFFSRU-IRLDBZIGSA-N 1 1 382.548 4.768 40 0 GJABMO CN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000006871447 570497550 /nfs/dbraw/zinc/49/75/50/570497550.db2.gz IPRZVHIRBFLUNL-UHFFFAOYSA-N 1 1 393.288 4.916 40 0 GJABMO Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000020192870 570514681 /nfs/dbraw/zinc/51/46/81/570514681.db2.gz REBUBYSUEWICLT-SANMLTNESA-N 1 1 396.538 4.779 40 0 GJABMO O=C(NCC1CCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000224539616 570517392 /nfs/dbraw/zinc/51/73/92/570517392.db2.gz FXHARGSOLAMVJG-UHFFFAOYSA-N 1 1 383.363 4.902 40 0 GJABMO CC(=O)c1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000035288577 570551212 /nfs/dbraw/zinc/55/12/12/570551212.db2.gz WCOZCRYTFNNJML-NOTZXAQLSA-N 1 1 391.515 4.596 40 0 GJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000225450230 570575511 /nfs/dbraw/zinc/57/55/11/570575511.db2.gz YGCVVZRMCZJLRA-UHFFFAOYSA-N 1 1 390.434 4.686 40 0 GJABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832940 570584707 /nfs/dbraw/zinc/58/47/07/570584707.db2.gz QDTVOFFBUGKRQA-SFHVURJKSA-N 1 1 391.342 4.564 40 0 GJABMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000038832940 570584709 /nfs/dbraw/zinc/58/47/09/570584709.db2.gz QDTVOFFBUGKRQA-SFHVURJKSA-N 1 1 391.342 4.564 40 0 GJABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038850215 570587730 /nfs/dbraw/zinc/58/77/30/570587730.db2.gz PNXDMOYJAYAPKE-OAHLLOKOSA-N 1 1 393.314 4.853 40 0 GJABMO C[C@H]1Cc2ccccc2N1C(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582655 570590789 /nfs/dbraw/zinc/59/07/89/570590789.db2.gz VKBPSZOMQMLRPI-HNNXBMFYSA-N 1 1 386.898 4.669 40 0 GJABMO O=C(Nc1c(F)cccc1F)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225580998 570590947 /nfs/dbraw/zinc/59/09/47/570590947.db2.gz ZOHPOKMRASRAQX-UHFFFAOYSA-N 1 1 382.813 4.608 40 0 GJABMO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225692917 570604118 /nfs/dbraw/zinc/60/41/18/570604118.db2.gz RNPINJKJDFHXLS-SELNLUPBSA-N 1 1 390.568 4.577 40 0 GJABMO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225730517 570610086 /nfs/dbraw/zinc/61/00/86/570610086.db2.gz WMGNRTUKRYXMPA-SELNLUPBSA-N 1 1 390.568 4.577 40 0 GJABMO Oc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 ZINC000004848487 570634830 /nfs/dbraw/zinc/63/48/30/570634830.db2.gz ZMNXTSDQPANKFK-UHFFFAOYSA-N 1 1 393.830 4.701 40 0 GJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccc(C)cc1C ZINC000044856652 570637300 /nfs/dbraw/zinc/63/73/00/570637300.db2.gz JZENEUNVXLQDIP-NFBKMPQASA-N 1 1 382.523 4.922 40 0 GJABMO Cc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000004857304 570638824 /nfs/dbraw/zinc/63/88/24/570638824.db2.gz BOYKIOIIGFQJFA-AYHJJNSGSA-N 1 1 385.602 4.929 40 0 GJABMO CN(C(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)c1ccccc1 ZINC000044910230 570642313 /nfs/dbraw/zinc/64/23/13/570642313.db2.gz MEVATSBBIOSZLK-HNNXBMFYSA-N 1 1 377.315 4.868 40 0 GJABMO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000004888102 570642791 /nfs/dbraw/zinc/64/27/91/570642791.db2.gz PFORADPDIUYKNE-UKBGNOBASA-N 1 1 398.616 4.966 40 0 GJABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000044912280 570642831 /nfs/dbraw/zinc/64/28/31/570642831.db2.gz NCZPHFVZCDXRIM-GOSISDBHSA-N 1 1 391.342 4.830 40 0 GJABMO Cc1cc(N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc(C)[nH+]1 ZINC000257216721 570762187 /nfs/dbraw/zinc/76/21/87/570762187.db2.gz CVVGOAXUWPXKLF-FQEVSTJZSA-N 1 1 376.479 4.602 40 0 GJABMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063690 570774368 /nfs/dbraw/zinc/77/43/68/570774368.db2.gz XBUWTMMZNGTTLY-UHFFFAOYSA-N 1 1 382.813 4.608 40 0 GJABMO COc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)N4CCC[C@@]34C2)cc1 ZINC000227308562 570955268 /nfs/dbraw/zinc/95/52/68/570955268.db2.gz MJHIRDUYWMUNHY-AJSBUHFISA-N 1 1 382.935 4.760 40 0 GJABMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@@H+]4CCC[C@@]34C2)cc1 ZINC000227308562 570955272 /nfs/dbraw/zinc/95/52/72/570955272.db2.gz MJHIRDUYWMUNHY-AJSBUHFISA-N 1 1 382.935 4.760 40 0 GJABMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(Cl)cc4)[N@H+]4CCC[C@@]34C2)cc1 ZINC000227308562 570955279 /nfs/dbraw/zinc/95/52/79/570955279.db2.gz MJHIRDUYWMUNHY-AJSBUHFISA-N 1 1 382.935 4.760 40 0 GJABMO CC1(C)CN(c2cc(C3CC3)[nH+]c(NCc3ccccc3)n2)Cc2ccccc21 ZINC000329060187 212094813 /nfs/dbraw/zinc/09/48/13/212094813.db2.gz WJVWAHVBHHLGIJ-UHFFFAOYSA-N 1 1 384.527 4.686 40 0 GJABMO COc1ccccc1C[N@H+]1CCC[C@@H]1c1ncn2cc(-c3cccnc3)ccc12 ZINC000306143766 209107733 /nfs/dbraw/zinc/10/77/33/209107733.db2.gz YLPVDBCYBDUFHH-OAQYLSRUSA-N 1 1 384.483 4.742 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 ZINC000019564329 207135330 /nfs/dbraw/zinc/13/53/30/207135330.db2.gz LJDFZTNLTCQQAO-HNNXBMFYSA-N 1 1 387.430 4.857 40 0 GJABMO COCCn1cc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c2ccccc21 ZINC000019594210 207144257 /nfs/dbraw/zinc/14/42/57/207144257.db2.gz QSRJJKWNUIZZLQ-LJQANCHMSA-N 1 1 397.569 4.879 40 0 GJABMO COc1ccc([C@H]2CCC[N@@H+]2Cc2c(C)nc3ccc(Cl)cn32)cc1OC ZINC000019658716 207146069 /nfs/dbraw/zinc/14/60/69/207146069.db2.gz FFAZXDSQRJJMCJ-QGZVFWFLSA-N 1 1 385.895 4.650 40 0 GJABMO COc1ccc([C@H]2CCC[N@H+]2Cc2c(C)nc3ccc(Cl)cn32)cc1OC ZINC000019658716 207146073 /nfs/dbraw/zinc/14/60/73/207146073.db2.gz FFAZXDSQRJJMCJ-QGZVFWFLSA-N 1 1 385.895 4.650 40 0 GJABMO Cc1c(C[N@H+]2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cnn1C ZINC000072353977 208001798 /nfs/dbraw/zinc/00/17/98/208001798.db2.gz WXWVXNQGSIKMFN-NRFANRHFSA-N 1 1 392.522 4.541 40 0 GJABMO FC(F)(F)c1cccc(-c2cncc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359437 208002268 /nfs/dbraw/zinc/00/22/68/208002268.db2.gz MLRGLRIYRLWUGR-KRWDZBQOSA-N 1 1 398.432 4.937 40 0 GJABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370501 208006782 /nfs/dbraw/zinc/00/67/82/208006782.db2.gz GFRMZHNFCAKEGM-OAHLLOKOSA-N 1 1 399.585 4.623 40 0 GJABMO COc1ccc(CC[N@H+]2CCC[C@H](c3cccc(Nc4ccccn4)n3)C2)cc1 ZINC000072375987 208010197 /nfs/dbraw/zinc/01/01/97/208010197.db2.gz ZVGBGKRMSOVTID-FQEVSTJZSA-N 1 1 388.515 4.651 40 0 GJABMO CC(=O)N1Cc2ccccc2OC2(CCC([N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC000019019842 221395325 /nfs/dbraw/zinc/39/53/25/221395325.db2.gz DBLNRLQOEWOBNL-UHFFFAOYSA-N 1 1 382.548 4.541 40 0 GJABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccccn1 ZINC000019081715 221395871 /nfs/dbraw/zinc/39/58/71/221395871.db2.gz XLJKFBDXIWDMBR-RBBKRZOGSA-N 1 1 397.538 4.869 40 0 GJABMO CC[N@@H+](Cc1ccccc1)C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000054992082 222014929 /nfs/dbraw/zinc/01/49/29/222014929.db2.gz JJOUTTRVWGCOHX-UHFFFAOYSA-N 1 1 387.365 4.936 40 0 GJABMO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000072372448 222242733 /nfs/dbraw/zinc/24/27/33/222242733.db2.gz AVSYCSILNMRPAX-DEOSSOPVSA-N 1 1 381.483 4.732 40 0 GJABMO C[C@@H](C[N@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 ZINC000072398582 222254347 /nfs/dbraw/zinc/25/43/47/222254347.db2.gz DZGPRMSLAPSDCD-RRPUWOKSSA-N 1 1 393.575 4.801 40 0 GJABMO O=C(c1ccccc1-c1ccccc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000408606589 534746262 /nfs/dbraw/zinc/74/62/62/534746262.db2.gz IVXMRAYXBKEWJU-HSZRJFAPSA-N 1 1 382.507 4.626 40 0 GJABMO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000408608963 526762222 /nfs/dbraw/zinc/76/22/22/526762222.db2.gz NGSLUAZTRAEQJZ-HSZRJFAPSA-N 1 1 376.544 4.647 40 0 GJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cc1 ZINC000072348598 570339034 /nfs/dbraw/zinc/33/90/34/570339034.db2.gz NHFOECKMRASVEC-JOCHJYFZSA-N 1 1 388.511 4.629 40 0 GJABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N)ncc2-c2ccc(F)cc2)cc1 ZINC000072376770 570340274 /nfs/dbraw/zinc/34/02/74/570340274.db2.gz HWJKRBSHGDITMN-NRFANRHFSA-N 1 1 392.478 4.601 40 0 GJABMO CN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000219417594 570359710 /nfs/dbraw/zinc/35/97/10/570359710.db2.gz KPUBGNVIGYJUGL-UHFFFAOYSA-N 1 1 391.342 4.864 40 0 GJABMO CN(C)CCC[N@H+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004214899 570362986 /nfs/dbraw/zinc/36/29/86/570362986.db2.gz FMTFZYKYVZBISL-HUVRVWIJSA-N 1 1 388.640 4.562 40 0 in-man GJABMO CN(C)CCC[N@@H+](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004214899 570362987 /nfs/dbraw/zinc/36/29/87/570362987.db2.gz FMTFZYKYVZBISL-HUVRVWIJSA-N 1 1 388.640 4.562 40 0 in-man GJABMO Cc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022914094 570379009 /nfs/dbraw/zinc/37/90/09/570379009.db2.gz CHCPZCILLURIOI-UHFFFAOYSA-N 1 1 398.550 4.861 40 0 GJABMO O=C(NCC1CCCCC1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224542026 570517108 /nfs/dbraw/zinc/51/71/08/570517108.db2.gz HRLDRTBBLUIUDJ-UHFFFAOYSA-N 1 1 383.363 4.902 40 0 GJABMO Cc1[nH+]ccn1-c1ccc(CNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000225456631 570576194 /nfs/dbraw/zinc/57/61/94/570576194.db2.gz YTMGTRKEAFWYLJ-UHFFFAOYSA-N 1 1 390.434 4.686 40 0 GJABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038848724 570586958 /nfs/dbraw/zinc/58/69/58/570586958.db2.gz FEFFLWNDUCWBFK-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038848726 570587242 /nfs/dbraw/zinc/58/72/42/570587242.db2.gz ZLRWMWOHPXKXBC-UHFFFAOYSA-N 1 1 391.342 4.830 40 0 GJABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000038850216 570587756 /nfs/dbraw/zinc/58/77/56/570587756.db2.gz PNXDMOYJAYAPKE-HNNXBMFYSA-N 1 1 393.314 4.853 40 0 GJABMO CCOc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225575193 570589863 /nfs/dbraw/zinc/58/98/63/570589863.db2.gz GLOVOUQOTLEXJC-UHFFFAOYSA-N 1 1 390.886 4.729 40 0 GJABMO O=C1CC2(CC[NH+](Cc3ccccc3F)CC2)Oc2c1cccc2C(F)(F)F ZINC000225827210 570622182 /nfs/dbraw/zinc/62/21/82/570622182.db2.gz CMDYMTYAVBCZOC-UHFFFAOYSA-N 1 1 393.380 4.845 40 0 GJABMO COc1ccccc1C[N@@H+](CCCn1ccnc1)Cc1ccc(Cl)c(F)c1 ZINC000043277820 570627243 /nfs/dbraw/zinc/62/72/43/570627243.db2.gz XGLWNPNPOYKGAT-UHFFFAOYSA-N 1 1 387.886 4.777 40 0 GJABMO COc1ccc(-c2[nH+]c3ccccn3c2NCc2ccc(F)cc2)cc1OC ZINC000004848428 570634179 /nfs/dbraw/zinc/63/41/79/570634179.db2.gz AQUHLOPTNGUOGW-UHFFFAOYSA-N 1 1 377.419 4.770 40 0 GJABMO O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044917145 570643406 /nfs/dbraw/zinc/64/34/06/570643406.db2.gz LTBLOQKXXQMYCE-IBGZPJMESA-N 1 1 396.506 4.998 40 0 GJABMO Cc1ccc(C(=O)N2CCc3cc(C(=O)[C@H](C)[NH+]4CCC(C)CC4)ccc32)cc1 ZINC000004993888 570650554 /nfs/dbraw/zinc/65/05/54/570650554.db2.gz LZJTUSUNOMNOMJ-IBGZPJMESA-N 1 1 390.527 4.501 40 0 GJABMO C[C@@H]1CCC[N@@H+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3[nH]c2=O)C1 ZINC000057740243 570703210 /nfs/dbraw/zinc/70/32/10/570703210.db2.gz JIPREIDXBGJOPH-GOSISDBHSA-N 1 1 398.510 4.613 40 0 GJABMO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000260812360 570707393 /nfs/dbraw/zinc/70/73/93/570707393.db2.gz ASDCRBYWEXGYHB-XXBNENTESA-N 1 1 390.568 4.864 40 0 GJABMO Cc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1C ZINC000260941299 570715083 /nfs/dbraw/zinc/71/50/83/570715083.db2.gz SIRJPPKBGNFVKI-CTNGQTDRSA-N 1 1 382.523 4.840 40 0 GJABMO Cc1ccc(CN2C(=O)CC[C@@]23CCC[N@@H+](Cc2cccc(F)c2)CC3)cc1 ZINC000585100685 570925303 /nfs/dbraw/zinc/92/53/03/570925303.db2.gz SSXHGYJMWNAPGP-XMMPIXPASA-N 1 1 380.507 4.681 40 0 GJABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)n1 ZINC000306132608 570940477 /nfs/dbraw/zinc/94/04/77/570940477.db2.gz LNSVMSVOKIEBJP-GOSISDBHSA-N 1 1 389.528 4.541 40 0 GJABMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019454743 570986448 /nfs/dbraw/zinc/98/64/48/570986448.db2.gz STFGYUGOXOIRGT-QHCPKHFHSA-N 1 1 381.495 4.630 40 0 GJABMO COc1ccccc1C[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000585169363 570995878 /nfs/dbraw/zinc/99/58/78/570995878.db2.gz MVNMAYVOOWZVBN-QGZVFWFLSA-N 1 1 394.540 4.601 40 0 GJABMO