smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+]C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@@H](O)[C@@H]21)c1ccccc1 ZINC000002119126 204026381 /nfs/dbraw/zinc/02/63/81/204026381.db2.gz YSIINEYFHDVBCW-RYIVQDHCSA-N 1 0 369.505 3.622 40 0 FHABRO CC(C)(CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000004212184 204127184 /nfs/dbraw/zinc/12/71/84/204127184.db2.gz YYUZPBGIBVJYSI-HXUWFJFHSA-N 1 0 352.478 3.606 40 0 in-man FHABRO CC[N@@H+]1CCC[C@@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000005047910 204188301 /nfs/dbraw/zinc/18/83/01/204188301.db2.gz ZFXCYBWAFFMYAB-LJQANCHMSA-N 1 0 355.503 3.667 40 0 FHABRO CCN(CC)c1ccc(N[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1 ZINC000005236030 204199026 /nfs/dbraw/zinc/19/90/26/204199026.db2.gz VGKZSVLZPMJYLZ-LJQANCHMSA-N 1 0 356.422 3.831 40 0 FHABRO Cc1ccc2c(n[nH]c2NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C)CC2)n1 ZINC000035322727 204239850 /nfs/dbraw/zinc/23/98/50/204239850.db2.gz OEDPGAHSXLJQJI-SFHVURJKSA-N 1 0 363.465 3.678 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1 ZINC000006382274 204247238 /nfs/dbraw/zinc/24/72/38/204247238.db2.gz JFYUMVGJTVQVPI-QHCPKHFHSA-N 1 0 369.505 3.733 40 0 FHABRO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000035426233 204269515 /nfs/dbraw/zinc/26/95/15/204269515.db2.gz UWRHLIHOJUNFMU-KRWDZBQOSA-N 1 0 355.486 3.915 40 0 biogenic,in-vitro FHABRO Cc1ccc([C@H](C)CC[NH+]2CCC(O)(Cn3ccc4ccncc43)CC2)o1 ZINC000019216280 204670960 /nfs/dbraw/zinc/67/09/60/204670960.db2.gz JHJVTFBCUWPLMO-QGZVFWFLSA-N 1 0 367.493 3.958 40 0 FHABRO Cc1ccnn1C[C@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019238339 204673816 /nfs/dbraw/zinc/67/38/16/204673816.db2.gz MEZQQAFZRJMDBK-WMZOPIPTSA-N 1 0 374.554 3.623 40 0 FHABRO COc1ccc(-c2n[nH]cc2-c2cncn2C[C@H](C)[NH+]2CCCCC2)cc1 ZINC000019719571 204704626 /nfs/dbraw/zinc/70/46/26/204704626.db2.gz GYLHDVSDKXMJGL-INIZCTEOSA-N 1 0 365.481 3.823 40 0 FHABRO CC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038858345 205043924 /nfs/dbraw/zinc/04/39/24/205043924.db2.gz HRERUBWYSNPFQB-GOSISDBHSA-N 1 0 354.425 3.879 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)CC1 ZINC000038853799 205042694 /nfs/dbraw/zinc/04/26/94/205042694.db2.gz IFNDTPHSAOLJIC-UHFFFAOYSA-N 1 0 366.461 3.942 40 0 FHABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCCCCC1 ZINC000044843903 205111450 /nfs/dbraw/zinc/11/14/50/205111450.db2.gz LUZAKEMNPZUGAP-KRWDZBQOSA-N 1 0 352.906 3.880 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000044873123 205112690 /nfs/dbraw/zinc/11/26/90/205112690.db2.gz NBZUZZFCAXIGOT-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908873 205114779 /nfs/dbraw/zinc/11/47/79/205114779.db2.gz RUIVEMVTORLTNM-LJQANCHMSA-N 1 0 370.468 3.541 40 0 FHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107249356 206017460 /nfs/dbraw/zinc/01/74/60/206017460.db2.gz LARNIUFPZLBEBH-PZJWPPBQSA-N 1 0 368.908 3.658 40 0 FHABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000107728478 206024009 /nfs/dbraw/zinc/02/40/09/206024009.db2.gz XNHUGRVAURQNRN-XLIONFOSSA-N 1 0 358.507 3.911 40 0 FHABRO C[NH+](C)CCCNc1nc(NCc2ccco2)cc(-c2ccccc2)n1 ZINC000243310261 206119075 /nfs/dbraw/zinc/11/90/75/206119075.db2.gz LHGJBGWQVIOBPG-UHFFFAOYSA-N 1 0 351.454 3.712 40 0 FHABRO C[NH+](C)CCNc1nc(Nc2ccccc2F)cc(-c2ccccc2)n1 ZINC000243928414 206119608 /nfs/dbraw/zinc/11/96/08/206119608.db2.gz RTPGNZZGPIERPG-UHFFFAOYSA-N 1 0 351.429 4.000 40 0 FHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000216206990 206355985 /nfs/dbraw/zinc/35/59/85/206355985.db2.gz QGLPVVUUDCRGQV-BBWFWOEESA-N 1 0 364.555 3.660 40 0 FHABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225607244 206489602 /nfs/dbraw/zinc/48/96/02/206489602.db2.gz AONXWDROEINXHG-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1cccc(Nc2nccnc2C2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000257332464 206628278 /nfs/dbraw/zinc/62/82/78/206628278.db2.gz XXKPMJAMQMGWQX-UHFFFAOYSA-N 1 0 367.497 3.530 40 0 FHABRO Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329066912 132373031 /nfs/dbraw/zinc/37/30/31/132373031.db2.gz YESGXCXWPWKVPL-HNNXBMFYSA-N 1 0 352.482 3.756 40 0 FHABRO CNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C2CC2)[nH+]1 ZINC000329055966 132373165 /nfs/dbraw/zinc/37/31/65/132373165.db2.gz VQBPVSVBUHIRRC-UHFFFAOYSA-N 1 0 364.371 3.857 40 0 FHABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329069344 132373299 /nfs/dbraw/zinc/37/32/99/132373299.db2.gz YWCNCTCYNCRMRN-UHFFFAOYSA-N 1 0 352.482 3.965 40 0 FHABRO CC(C)Nc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329067251 132373311 /nfs/dbraw/zinc/37/33/11/132373311.db2.gz YGXLWGMTIBTNJJ-UHFFFAOYSA-N 1 0 368.525 3.632 40 0 FHABRO COC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccc4c(c3)OCO4)o2)cc1 ZINC000007539030 263351777 /nfs/dbraw/zinc/35/17/77/263351777.db2.gz OQZXAIRDKYBTFV-UHFFFAOYSA-N 1 0 365.385 3.752 40 0 FHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039749507 263399240 /nfs/dbraw/zinc/39/92/40/263399240.db2.gz KRMNSDLNRYXQSJ-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000039749948 263399296 /nfs/dbraw/zinc/39/92/96/263399296.db2.gz JFYXRFGZCXKLSL-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039747905 263399832 /nfs/dbraw/zinc/39/98/32/263399832.db2.gz ULDWGRBLHGFKCG-UHFFFAOYSA-N 1 0 369.440 3.635 40 0 FHABRO CCOc1cc(CN2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1OC ZINC000019889605 520699980 /nfs/dbraw/zinc/69/99/80/520699980.db2.gz OVCYETWKZBOFFG-UHFFFAOYSA-N 1 0 354.494 3.720 40 0 FHABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020460263 523050904 /nfs/dbraw/zinc/05/09/04/523050904.db2.gz KOXNZHOWHBGVCW-GPMSIDNRSA-N 1 0 366.933 3.982 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 ZINC000020493273 524091323 /nfs/dbraw/zinc/09/13/23/524091323.db2.gz RVXXUIKOBBBIOO-INIZCTEOSA-N 1 0 366.461 3.577 40 0 FHABRO C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222689983 568554040 /nfs/dbraw/zinc/55/40/40/568554040.db2.gz GMYAZBGSNZKYBN-MRXNPFEDSA-N 1 0 366.461 3.545 40 0 FHABRO O=C(NCCSC1CCCC1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223336539 568641749 /nfs/dbraw/zinc/64/17/49/568641749.db2.gz PKKTYSZRHXMNAN-KRWDZBQOSA-N 1 0 364.530 3.830 40 0 FHABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223340150 568642353 /nfs/dbraw/zinc/64/23/53/568642353.db2.gz VFRVBEKEALMGGI-INIZCTEOSA-N 1 0 370.468 3.924 40 0 FHABRO c1ccc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)nc1 ZINC000096038250 570472671 /nfs/dbraw/zinc/47/26/71/570472671.db2.gz KUBUIKVTSGVQTO-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC000096040087 570472700 /nfs/dbraw/zinc/47/27/00/570472700.db2.gz QBORJASJTLBCMH-VQTJNVASSA-N 1 0 358.507 3.731 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccccc4)C3)CC2)c1 ZINC000096046643 570473057 /nfs/dbraw/zinc/47/30/57/570473057.db2.gz QJHPMMVAWKZLIE-UHFFFAOYSA-N 1 0 364.489 3.824 40 0 FHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096040177 570473136 /nfs/dbraw/zinc/47/31/36/570473136.db2.gz ZUGYZQHBLMXGKS-VQTJNVASSA-N 1 0 358.507 3.731 40 0 FHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096040229 570473245 /nfs/dbraw/zinc/47/32/45/570473245.db2.gz YPRXXSKNFOKYLV-VQTJNVASSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 ZINC000096040096 570473263 /nfs/dbraw/zinc/47/32/63/570473263.db2.gz NRNMFJVMMBDKMM-NHCUHLMSSA-N 1 0 356.466 3.571 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccco3)CC2)N1Cc1cccc(F)c1 ZINC000096047544 570473582 /nfs/dbraw/zinc/47/35/82/570473582.db2.gz WGWQBNVVMOTPSX-OAQYLSRUSA-N 1 0 356.441 3.966 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)CC2)N1Cc1cccc(F)c1 ZINC000096047559 570473933 /nfs/dbraw/zinc/47/39/33/570473933.db2.gz LTSNXKOTWVRVBM-QFIPXVFZSA-N 1 0 367.468 3.768 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC000096050872 570474186 /nfs/dbraw/zinc/47/41/86/570474186.db2.gz NPRNLZINQNNDCV-HXUWFJFHSA-N 1 0 356.491 3.694 40 0 FHABRO COc1ccc(CN2CCC3(CCC[N@@H+]3Cc3cccnc3)CC2)cc1 ZINC000096049317 570474277 /nfs/dbraw/zinc/47/42/77/570474277.db2.gz SAEWQEMMJPQWQZ-UHFFFAOYSA-N 1 0 351.494 3.721 40 0 FHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096058464 570474472 /nfs/dbraw/zinc/47/44/72/570474472.db2.gz OODGUKZXVGZWRP-YADHBBJMSA-N 1 0 352.453 3.590 40 0 FHABRO Cc1cccc(CN2CC[C@@]3(CCC[N@H+](Cc4ccc(F)cc4)C3)C2=O)n1 ZINC000096048797 570474592 /nfs/dbraw/zinc/47/45/92/570474592.db2.gz UHMVGFGCPGDLFV-JOCHJYFZSA-N 1 0 367.468 3.544 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096079470 570475063 /nfs/dbraw/zinc/47/50/63/570475063.db2.gz VSPBOGVYHJWTCY-INIZCTEOSA-N 1 0 369.534 3.643 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)cc1 ZINC000096061440 570475111 /nfs/dbraw/zinc/47/51/11/570475111.db2.gz SRDFQXOZNDLEPY-OAQYLSRUSA-N 1 0 364.489 3.676 40 0 FHABRO Fc1cccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096106766 570475738 /nfs/dbraw/zinc/47/57/38/570475738.db2.gz XQLMRKQQIRXMPR-FQEVSTJZSA-N 1 0 356.441 3.561 40 0 FHABRO CCOC[C@@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)[N@@H+]1C ZINC000096209196 570478982 /nfs/dbraw/zinc/47/89/82/570478982.db2.gz BXIAGOPCYVHJNQ-FQEVSTJZSA-N 1 0 353.510 3.700 40 0 FHABRO CN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)CC2CC2)[C@@H]1O ZINC000585261330 570480477 /nfs/dbraw/zinc/48/04/77/570480477.db2.gz NMWOVZBGSSFYKD-WXFUMESZSA-N 1 0 364.533 3.923 40 0 FHABRO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585282942 570493083 /nfs/dbraw/zinc/49/30/83/570493083.db2.gz JZYGRNHKRPQJKQ-VVSUKSJXSA-N 1 0 370.537 3.551 40 0 FHABRO Cc1cc(C)c(C)c(OC[C@]2(O)COCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000585282660 570493213 /nfs/dbraw/zinc/49/32/13/570493213.db2.gz MIWYLNWJBLNKBW-JOCHJYFZSA-N 1 0 361.526 3.777 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]CCc2ccc(C)c(C)c2)[C@H](Cc2ccccc2)C1 ZINC000585286470 570494605 /nfs/dbraw/zinc/49/46/05/570494605.db2.gz RBYHCVRJMUKWEH-RPWUZVMVSA-N 1 0 364.533 3.915 40 0 FHABRO FC(F)(F)c1nc(-c2cccc([C@@H]3CCC[N@H+](CC4CC4)C3)n2)no1 ZINC000585289485 570495515 /nfs/dbraw/zinc/49/55/15/570495515.db2.gz IFCRBCXXRYWGRZ-GFCCVEGCSA-N 1 0 352.360 3.740 40 0 FHABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216464 570533478 /nfs/dbraw/zinc/53/34/78/570533478.db2.gz BSINKZDALCPDHC-SFHVURJKSA-N 1 0 374.529 3.686 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000260449426 570627314 /nfs/dbraw/zinc/62/73/14/570627314.db2.gz SRPCWYIPCBTALJ-IRXDYDNUSA-N 1 0 364.555 3.947 40 0 FHABRO FC(F)(F)c1cc([C@@H]2C[N@H+](C[C@@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129188 570720619 /nfs/dbraw/zinc/72/06/19/570720619.db2.gz OAGWJYMYJUEBIF-CWRNSKLLSA-N 1 0 365.399 3.648 40 0 FHABRO CC(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012135205 570721119 /nfs/dbraw/zinc/72/11/19/570721119.db2.gz HXWJOPNZFXDJOE-DETIRCLXSA-N 1 0 366.505 3.989 40 0 FHABRO CCOc1cc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)ccc1OC ZINC000012143427 570721762 /nfs/dbraw/zinc/72/17/62/570721762.db2.gz VGCLJJJGJBGTCG-UHFFFAOYSA-N 1 0 366.465 3.745 40 0 FHABRO C[C@@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000012144912 570722556 /nfs/dbraw/zinc/72/25/56/570722556.db2.gz ZDJXYZAJHDCBSI-WBVHZDCISA-N 1 0 366.509 3.671 40 0 FHABRO COc1ccc(C[N@@H+](Cc2cn(C)c3ccccc23)C[C@@H](C)O)cc1OC ZINC000012147958 570723152 /nfs/dbraw/zinc/72/31/52/570723152.db2.gz OHPIADQBLHDXHG-MRXNPFEDSA-N 1 0 368.477 3.579 40 0 FHABRO CCc1ncc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000012148038 570723241 /nfs/dbraw/zinc/72/32/41/570723241.db2.gz PZPPECAEZJDBOT-UHFFFAOYSA-N 1 0 367.541 3.745 40 0 FHABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000012232921 570730433 /nfs/dbraw/zinc/73/04/33/570730433.db2.gz BXLVLBPVMABBGJ-FUHWJXTLSA-N 1 0 374.525 3.660 40 0 FHABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000012240673 570730537 /nfs/dbraw/zinc/73/05/37/570730537.db2.gz GHOWVOBSRJPZHY-UHFFFAOYSA-N 1 0 354.469 3.910 40 0 FHABRO O=C(COc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1)N1CCCC1 ZINC000012238763 570730548 /nfs/dbraw/zinc/73/05/48/570730548.db2.gz XVEGHGKOOIFZKL-UHFFFAOYSA-N 1 0 368.452 3.606 40 0 FHABRO O[C@H](C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012330564 570737179 /nfs/dbraw/zinc/73/71/79/570737179.db2.gz VLKIBWHKOJQQJN-HXUWFJFHSA-N 1 0 369.436 3.810 40 0 FHABRO Cc1nccc(-c2ccc(-c3noc(C[N@H+]4C[C@H](C)C[C@H](C)C4)n3)cc2)n1 ZINC000012337097 570737643 /nfs/dbraw/zinc/73/76/43/570737643.db2.gz JZXQZQOVXPWKTO-GASCZTMLSA-N 1 0 363.465 3.980 40 0 FHABRO Cc1nc(-c2nc(NCC[NH+](C)C)ncc2-c2ccsc2)sc1C ZINC000012751602 570759881 /nfs/dbraw/zinc/75/98/81/570759881.db2.gz YUKUFYRCUVNLIC-UHFFFAOYSA-N 1 0 359.524 3.919 40 0 FHABRO c1csc(-c2nc(N3CC[N@@H+]4CCC[C@@H]4C3)ncc2-c2ccccn2)c1 ZINC000013268022 570775972 /nfs/dbraw/zinc/77/59/72/570775972.db2.gz PBHKONYQZRFLEG-OAHLLOKOSA-N 1 0 363.490 3.552 40 0 FHABRO O=c1cc(-c2ccccn2)nc(C2CC[NH+](Cc3cccc(F)c3)CC2)[nH]1 ZINC000013267959 570775985 /nfs/dbraw/zinc/77/59/85/570775985.db2.gz GTYSILCFTPEQHX-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000020490985 570863034 /nfs/dbraw/zinc/86/30/34/570863034.db2.gz DVQKKJLAHZBQCH-IEBWSBKVSA-N 1 0 350.478 3.754 40 0 FHABRO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019019460 570879197 /nfs/dbraw/zinc/87/91/97/570879197.db2.gz BOGIHLAIQCHVEQ-NJDAHSKKSA-N 1 0 370.518 3.593 40 0 FHABRO Cc1ccc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)c(C)c1 ZINC000019132573 570880888 /nfs/dbraw/zinc/88/08/88/570880888.db2.gz DCSZNNAYBJOULZ-JOCHJYFZSA-N 1 0 367.468 3.779 40 0 FHABRO COc1cc(C)c(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1C ZINC000019237848 570883537 /nfs/dbraw/zinc/88/35/37/570883537.db2.gz YSHMFCWQVNMUHN-NOXFTYBFSA-N 1 0 366.505 3.745 40 0 FHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1OC ZINC000019287275 570884298 /nfs/dbraw/zinc/88/42/98/570884298.db2.gz NVDHWQJIGBHMKE-KSCDAYEDSA-N 1 0 367.493 3.864 40 0 FHABRO COc1ccc(C(C)(C)C)cc1C[NH+]1CCC(O)(Cn2ccnc2C)CC1 ZINC000019287960 570884511 /nfs/dbraw/zinc/88/45/11/570884511.db2.gz HFHZCEBTUZSJJN-UHFFFAOYSA-N 1 0 371.525 3.525 40 0 FHABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1OC ZINC000019287279 570884836 /nfs/dbraw/zinc/88/48/36/570884836.db2.gz NVDHWQJIGBHMKE-UDKICSLYSA-N 1 0 367.493 3.864 40 0 FHABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000019348859 570886722 /nfs/dbraw/zinc/88/67/22/570886722.db2.gz IEXZWOJXVQRHRE-OAQYLSRUSA-N 1 0 367.468 3.700 40 0 FHABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019450873 570889036 /nfs/dbraw/zinc/88/90/36/570889036.db2.gz LOBIIJOYXGJJKQ-QGZVFWFLSA-N 1 0 365.481 3.530 40 0 FHABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019446668 570889137 /nfs/dbraw/zinc/88/91/37/570889137.db2.gz KMJNYABWAOREAR-KNQAVFIVSA-N 1 0 366.509 3.592 40 0 FHABRO CCCn1nc(C)c(CN2CC[NH+](CC3(c4ccccc4)CC3)CC2)c1C ZINC000019525845 570891558 /nfs/dbraw/zinc/89/15/58/570891558.db2.gz QCPCSZFKWPKLNX-UHFFFAOYSA-N 1 0 366.553 3.759 40 0 FHABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000019560973 570893524 /nfs/dbraw/zinc/89/35/24/570893524.db2.gz MCWYGHPIAQXAHX-INIZCTEOSA-N 1 0 361.486 3.814 40 0 FHABRO COCc1ccc(C(=O)N2CCC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cc1 ZINC000019570246 570894197 /nfs/dbraw/zinc/89/41/97/570894197.db2.gz GXTBOFHPKCHFNH-LJQANCHMSA-N 1 0 367.493 3.622 40 0 FHABRO COc1ccccc1-c1noc(C)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000019579677 570894712 /nfs/dbraw/zinc/89/47/12/570894712.db2.gz RKFFDNADZYYNKM-OAHLLOKOSA-N 1 0 371.481 3.509 40 0 FHABRO c1ccc(N2CCCCC2)c(C[NH+]2CCC(Oc3cnccn3)CC2)c1 ZINC000019658688 570896967 /nfs/dbraw/zinc/89/69/67/570896967.db2.gz BCHDKVDKTZYATO-UHFFFAOYSA-N 1 0 352.482 3.510 40 0 FHABRO O=C(NCc1ccccc1N1CCCC1)c1ccccc1C[NH+]1CCCC1 ZINC000019662428 570897789 /nfs/dbraw/zinc/89/77/89/570897789.db2.gz TYFDXOHSHUKUBN-UHFFFAOYSA-N 1 0 363.505 3.813 40 0 FHABRO O=C(Nc1cccc(-n2cccn2)c1)[C@@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000019714606 570899541 /nfs/dbraw/zinc/89/95/41/570899541.db2.gz TZABEDZSZZHAQB-OAQYLSRUSA-N 1 0 360.461 3.518 40 0 FHABRO Cc1cc(C)n([C@H](C)C(=O)Nc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000019716903 570899941 /nfs/dbraw/zinc/89/99/41/570899941.db2.gz LEBRIFQGDKUGRI-GOSISDBHSA-N 1 0 354.498 3.932 40 0 FHABRO CN(C)c1ncccc1C[N@@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715721 570900017 /nfs/dbraw/zinc/90/00/17/570900017.db2.gz YODFCZRDNAFUKR-HNNXBMFYSA-N 1 0 367.472 3.618 40 0 FHABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 ZINC000019719950 570900776 /nfs/dbraw/zinc/90/07/76/570900776.db2.gz KLPIIHBKUZIIQI-INIZCTEOSA-N 1 0 371.481 3.767 40 0 FHABRO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020037683 570909052 /nfs/dbraw/zinc/90/90/52/570909052.db2.gz AUHSZDQJJDKBSU-MRXNPFEDSA-N 1 0 366.461 3.957 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSc1ccc(OC)cc1 ZINC000020484455 570917473 /nfs/dbraw/zinc/91/74/73/570917473.db2.gz VCQPYPITGCYIQB-MRXNPFEDSA-N 1 0 350.528 3.558 40 0 FHABRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000021637711 570932429 /nfs/dbraw/zinc/93/24/29/570932429.db2.gz KSTHJQKASSIPBQ-UHFFFAOYSA-N 1 0 366.505 3.930 40 0 FHABRO C[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000021974308 570936808 /nfs/dbraw/zinc/93/68/08/570936808.db2.gz NKKJHXAMMYVYRG-UHFFFAOYSA-N 1 0 357.885 3.663 40 0 FHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000224526585 570992391 /nfs/dbraw/zinc/99/23/91/570992391.db2.gz UIRDUCCMIRWOGD-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224551046 570992788 /nfs/dbraw/zinc/99/27/88/570992788.db2.gz JAUGIMYFVVEKPZ-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624335 570995219 /nfs/dbraw/zinc/99/52/19/570995219.db2.gz KYCBAWYIJNVANN-NRFANRHFSA-N 1 0 370.468 3.895 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000224626672 570995680 /nfs/dbraw/zinc/99/56/80/570995680.db2.gz PUXLNACRWFRCFJ-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO Cc1cccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1C ZINC000224696571 570997486 /nfs/dbraw/zinc/99/74/86/570997486.db2.gz DNGXBLIGNDGCKD-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224979405 571008380 /nfs/dbraw/zinc/00/83/80/571008380.db2.gz IWRPOGDZLVBZHH-OALUTQOASA-N 1 0 350.506 3.990 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224988996 571008910 /nfs/dbraw/zinc/00/89/10/571008910.db2.gz DRVHXZLGESVDJA-HZPDHXFCSA-N 1 0 366.933 3.982 40 0 FHABRO Cc1ccc(C)c(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000225209919 571021876 /nfs/dbraw/zinc/02/18/76/571021876.db2.gz MKCSBMJGPOHPBC-UHFFFAOYSA-N 1 0 365.546 3.785 40 0 FHABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039773376 571024052 /nfs/dbraw/zinc/02/40/52/571024052.db2.gz ZSLUHLDDKMBCKV-UHFFFAOYSA-N 1 0 352.478 3.532 40 0 FHABRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccco2)on1 ZINC000028296051 571030803 /nfs/dbraw/zinc/03/08/03/571030803.db2.gz GPKKDTMOHWUDLH-KRWDZBQOSA-N 1 0 351.406 3.502 40 0 FHABRO c1ccc([C@H]2C[N@@H+](CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 ZINC000306136311 571039598 /nfs/dbraw/zinc/03/95/98/571039598.db2.gz PPRLEBZDZMSIHX-HXUWFJFHSA-N 1 0 357.461 3.973 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2N1Cc1ccccc1 ZINC000306137649 571040451 /nfs/dbraw/zinc/04/04/51/571040451.db2.gz RCKKTKNZQWLFJP-DHIUTWEWSA-N 1 0 371.484 3.612 40 0 FHABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)c3ncccc32)cc1 ZINC000306136813 571040498 /nfs/dbraw/zinc/04/04/98/571040498.db2.gz QEAYMPSBBAERBQ-QHCPKHFHSA-N 1 0 356.473 3.641 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138486 571040925 /nfs/dbraw/zinc/04/09/25/571040925.db2.gz RYSZQEBCAVUKDB-ROUUACIJSA-N 1 0 365.502 3.925 40 0 FHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142720 571042384 /nfs/dbraw/zinc/04/23/84/571042384.db2.gz XHJAEQKUVRQRFY-LJQANCHMSA-N 1 0 353.491 3.739 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225602325 571048578 /nfs/dbraw/zinc/04/85/78/571048578.db2.gz WRXUPVWGGBHFQZ-FVJLSDCUSA-N 1 0 362.514 3.797 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(Br)c1 ZINC000225620843 571050219 /nfs/dbraw/zinc/05/02/19/571050219.db2.gz MDCXRPLGNVXIIK-KRWDZBQOSA-N 1 0 367.331 3.762 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225644544 571052105 /nfs/dbraw/zinc/05/21/05/571052105.db2.gz FJSULGHVPIXIBA-VGOFRKELSA-N 1 0 374.525 3.941 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225643795 571052183 /nfs/dbraw/zinc/05/21/83/571052183.db2.gz AMILESRALIBYPF-IIBYNOLFSA-N 1 0 360.498 3.551 40 0 FHABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225671780 571054376 /nfs/dbraw/zinc/05/43/76/571054376.db2.gz GKESHVUWSYLWIX-OAQYLSRUSA-N 1 0 360.498 3.695 40 0 FHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccc(F)c3)cc2)CC1 ZINC000225772607 571064482 /nfs/dbraw/zinc/06/44/82/571064482.db2.gz ZHYWTESKAWWKGX-UHFFFAOYSA-N 1 0 373.497 3.785 40 0 FHABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)c2cccnc12 ZINC000260737597 571121408 /nfs/dbraw/zinc/12/14/08/571121408.db2.gz MBLWRSNXZLZLAX-HNNXBMFYSA-N 1 0 372.538 3.652 40 0 FHABRO CC(C)(C)OC(=O)NCC1(c2ccccc2C(F)(F)F)CC[NH2+]CC1 ZINC000098213758 571122109 /nfs/dbraw/zinc/12/21/09/571122109.db2.gz PBRKUCBAWHOFQP-UHFFFAOYSA-N 1 0 358.404 3.851 40 0 FHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260790412 571123059 /nfs/dbraw/zinc/12/30/59/571123059.db2.gz AUMVLAWHWLKFGS-ROUUACIJSA-N 1 0 358.526 3.571 40 0 FHABRO COc1cccc(CN2Cc3cccn3[C@H](COCc3ccccn3)C2)c1 ZINC000247922756 571126103 /nfs/dbraw/zinc/12/61/03/571126103.db2.gz YGEZRDGYKJVVPS-NRFANRHFSA-N 1 0 363.461 3.665 40 0 FHABRO Cc1cc(C)cc(CN2Cc3cncn3[C@H](COCC3CCOCC3)C2)c1 ZINC000247913037 571126180 /nfs/dbraw/zinc/12/61/80/571126180.db2.gz LQFZEOCZDTZSJS-QFIPXVFZSA-N 1 0 369.509 3.500 40 0 FHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 ZINC000248042806 571127250 /nfs/dbraw/zinc/12/72/50/571127250.db2.gz PHSHVCHENBXTPL-QGZVFWFLSA-N 1 0 373.522 3.687 40 0 FHABRO CC[NH+](CC)CC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 ZINC000248232367 571128230 /nfs/dbraw/zinc/12/82/30/571128230.db2.gz CEMXJOULJIBFDL-KRWDZBQOSA-N 1 0 366.465 3.558 40 0 FHABRO C[C@@H]1CCCC[N@@H+]1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000255190602 571142367 /nfs/dbraw/zinc/14/23/67/571142367.db2.gz YHHSKMXBWODITL-LLVKDONJSA-N 1 0 352.283 3.576 40 0 FHABRO COc1ccc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4O)cc1C[NH+](C)C ZINC000257205063 571149832 /nfs/dbraw/zinc/14/98/32/571149832.db2.gz AXMFTANNRWJMHS-FPIWTNIKSA-N 1 0 359.510 3.632 40 0 FHABRO Cc1[nH+]cc2cncc(C3CCN(C(=O)c4ccc5ccccc5n4)CC3)n12 ZINC000257222997 571151799 /nfs/dbraw/zinc/15/17/99/571151799.db2.gz DVKOVVQVWNSYBL-UHFFFAOYSA-N 1 0 371.444 3.606 40 0 FHABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cncs3)C2)s1 ZINC000257235829 571152873 /nfs/dbraw/zinc/15/28/73/571152873.db2.gz GZRUFIOIFWPSOY-ZDUSSCGKSA-N 1 0 372.523 3.821 40 0 FHABRO Cc1nc(CN2CC[N@@H+](C)C[C@@H](Cc3cncc4ccccc43)C2)cs1 ZINC000257256497 571155102 /nfs/dbraw/zinc/15/51/02/571155102.db2.gz KLSPTGZYCHNXME-QGZVFWFLSA-N 1 0 366.534 3.606 40 0 FHABRO Clc1ccccc1Cc1cccc([C@H]2CN(Cc3ncc[nH]3)CCO2)n1 ZINC000257272419 571156692 /nfs/dbraw/zinc/15/66/92/571156692.db2.gz NCIMMEFRADRUCQ-LJQANCHMSA-N 1 0 368.868 3.622 40 0 FHABRO Cn1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)n1 ZINC000257342150 571163187 /nfs/dbraw/zinc/16/31/87/571163187.db2.gz ZNGTYJFKACAOSK-ONTIZHBOSA-N 1 0 366.509 3.640 40 0 FHABRO CSc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@@]3(O)c2ccc(C)cc2)cn1 ZINC000072340461 571179245 /nfs/dbraw/zinc/17/92/45/571179245.db2.gz KNBCWMOYTUBDJR-SLYNCCJLSA-N 1 0 369.534 3.627 40 0 FHABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348846 571180321 /nfs/dbraw/zinc/18/03/21/571180321.db2.gz LWFYWIVXDXEFHS-HXUWFJFHSA-N 1 0 372.472 3.622 40 0 FHABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350569 571181988 /nfs/dbraw/zinc/18/19/88/571181988.db2.gz JJNUQKMQKMDWHM-QGZVFWFLSA-N 1 0 362.481 3.560 40 0 FHABRO Cc1nccn1-c1cccc([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072379202 571187751 /nfs/dbraw/zinc/18/77/51/571187751.db2.gz ZKLVOSYYNQXTBQ-LJQANCHMSA-N 1 0 362.477 3.834 40 0 FHABRO O=C(NC1CCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000072380523 571187963 /nfs/dbraw/zinc/18/79/63/571187963.db2.gz PPQJNBDYKBQJOE-MRXNPFEDSA-N 1 0 370.472 3.601 40 0 FHABRO O=C(NC1CC1)[C@@]1(Cc2ccc(-c3ccccc3F)cc2)CCC[NH2+]C1 ZINC000072391894 571189971 /nfs/dbraw/zinc/18/99/71/571189971.db2.gz RAWWNOCHZBDVGJ-JOCHJYFZSA-N 1 0 352.453 3.684 40 0 FHABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](CC2CC2)C1 ZINC000072391300 571189978 /nfs/dbraw/zinc/18/99/78/571189978.db2.gz NPGMUACQQZFRBA-HSZRJFAPSA-N 1 0 363.505 3.529 40 0 FHABRO c1coc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306126640 571213119 /nfs/dbraw/zinc/21/31/19/571213119.db2.gz FASSEMJKYNJRFZ-GOSISDBHSA-N 1 0 359.433 3.764 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128556 571213429 /nfs/dbraw/zinc/21/34/29/571213429.db2.gz HEDYEVIKQHVCJC-FQEVSTJZSA-N 1 0 370.460 3.566 40 0 FHABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306131708 571213746 /nfs/dbraw/zinc/21/37/46/571213746.db2.gz KNKQQKWESRIDRI-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO c1csc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306133396 571214233 /nfs/dbraw/zinc/21/42/33/571214233.db2.gz MKGSYRVBGPWLLM-GOSISDBHSA-N 1 0 357.504 3.848 40 0 FHABRO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)c1 ZINC000585105526 571223741 /nfs/dbraw/zinc/22/37/41/571223741.db2.gz YWJHQNYNXFUJPM-FQEVSTJZSA-N 1 0 370.518 3.675 40 0 FHABRO Clc1cc(Cl)cc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228922567 571278249 /nfs/dbraw/zinc/27/82/49/571278249.db2.gz FIDVVTAXZJYTCB-UHFFFAOYSA-N 1 0 363.252 3.801 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000247851282 571290832 /nfs/dbraw/zinc/29/08/32/571290832.db2.gz HFZXAAXJIWGISF-SJLPKXTDSA-N 1 0 350.466 3.780 40 0 FHABRO O[C@@H]1CC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]2CCCC[C@@H]12 ZINC000248006912 571291006 /nfs/dbraw/zinc/29/10/06/571291006.db2.gz UHNBMDICIJZVPS-LULLPPNCSA-N 1 0 355.482 3.540 40 0 FHABRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)c1 ZINC000248186523 571291229 /nfs/dbraw/zinc/29/12/29/571291229.db2.gz HYMIIRVRJSDLIF-AVCGJXAMSA-N 1 0 367.489 3.824 40 0 FHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000248197429 571291248 /nfs/dbraw/zinc/29/12/48/571291248.db2.gz RENMGUPXFFASRP-XJABCFGWSA-N 1 0 369.484 3.859 40 0 FHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062557 571302343 /nfs/dbraw/zinc/30/23/43/571302343.db2.gz ONZHOKPBKODGNJ-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000010434019 571303341 /nfs/dbraw/zinc/30/33/41/571303341.db2.gz DUEADMVBORVYFN-UHFFFAOYSA-N 1 0 372.852 3.975 40 0 FHABRO O[C@@H]1CC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@@H]2CCCC[C@@H]12 ZINC000019345155 571303874 /nfs/dbraw/zinc/30/38/74/571303874.db2.gz UHNBMDICIJZVPS-OWYHZJEWSA-N 1 0 355.482 3.540 40 0 FHABRO CC[C@H]([NH2+]Cc1cnc(N2CCC[C@@H](C)C2)nc1)c1ccc(OC)cc1 ZINC000019500524 571303979 /nfs/dbraw/zinc/30/39/79/571303979.db2.gz AJVHYBRQVYBPGB-UZLBHIALSA-N 1 0 354.498 3.962 40 0 FHABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CC1 ZINC000019348939 571303999 /nfs/dbraw/zinc/30/39/99/571303999.db2.gz YKWLJDCNBGOAHX-GHTZIAJQSA-N 1 0 367.468 3.700 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(C(F)(F)F)c1)C[N@@H+]2CC1CC1 ZINC000019713468 571304756 /nfs/dbraw/zinc/30/47/56/571304756.db2.gz GMHZBARGGNTDKD-SCTDSRPQSA-N 1 0 366.427 3.942 40 0 FHABRO CC(C)COc1ccc(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000033748035 571305837 /nfs/dbraw/zinc/30/58/37/571305837.db2.gz KYAUWYNFSXMRSM-UHFFFAOYSA-N 1 0 367.493 3.726 40 0 FHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036124363 571306088 /nfs/dbraw/zinc/30/60/88/571306088.db2.gz DIBFEYJBEAVFAJ-ZWOKBUDYSA-N 1 0 360.542 3.945 40 0 FHABRO CNC(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3ccccc3)ccc2c1N ZINC000257330865 571321820 /nfs/dbraw/zinc/32/18/20/571321820.db2.gz XQIQNNYQANXSIA-MRXNPFEDSA-N 1 0 366.490 3.575 40 0 FHABRO CCN(C(C)=O)[C@H]1C[N@H+](Cc2c(C)nc3sccn23)C2(C1)CCCCC2 ZINC000019703845 571327162 /nfs/dbraw/zinc/32/71/62/571327162.db2.gz LIOWEEWWQGYKFT-QGZVFWFLSA-N 1 0 374.554 3.850 40 0 FHABRO CC(C)(C)c1ccc(OCc2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534918 571331381 /nfs/dbraw/zinc/33/13/81/571331381.db2.gz CNDXPFFCJWKQOP-GOSISDBHSA-N 1 0 350.466 3.924 40 0 FHABRO COc1cc2c(cc1OC)C(=O)[C@H](Cc1cc[n+](Cc3ccccc3)cc1)C2 ZINC000003964923 204117189 /nfs/dbraw/zinc/11/71/89/204117189.db2.gz RCRQOFLAAVCAGE-HXUWFJFHSA-N 1 0 374.460 3.637 40 0 in-vitro FHABRO C[C@H]1C[C@@]2(C[C@H](C[NH+](C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 ZINC000005495947 204211675 /nfs/dbraw/zinc/21/16/75/204211675.db2.gz NEYOBFYBCKOYGK-RRMPHLOHSA-N 1 0 363.498 3.591 40 0 FHABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccccc1F ZINC000035316085 204237913 /nfs/dbraw/zinc/23/79/13/204237913.db2.gz AIVOUNOKQRHONM-UHFFFAOYSA-N 1 0 366.487 3.508 40 0 FHABRO CCOc1ccc2c(c1)c(C(=O)NCC(C)(C)[NH+]1CCCCC1)c(C)n2C ZINC000035316962 204239681 /nfs/dbraw/zinc/23/96/81/204239681.db2.gz YXLCFXYRKCXTAD-UHFFFAOYSA-N 1 0 371.525 3.880 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2)C1 ZINC000006455823 204248324 /nfs/dbraw/zinc/24/83/24/204248324.db2.gz FOXKGUAZRBDKEL-BJLQDIEVSA-N 1 0 363.542 3.718 40 0 FHABRO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Br)c1OCC ZINC000008253841 204323254 /nfs/dbraw/zinc/32/32/54/204323254.db2.gz HBLPSXISPJPACF-ZDUSSCGKSA-N 1 0 358.276 3.515 40 0 FHABRO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008469114 204332765 /nfs/dbraw/zinc/33/27/65/204332765.db2.gz QKBUJBCNYYMLPA-UHFFFAOYSA-N 1 0 350.256 3.764 40 0 FHABRO CC[C@]12CCC[N@@H+]3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000008781279 204346875 /nfs/dbraw/zinc/34/68/75/204346875.db2.gz ARQOGCYMPUOVHK-GBAJDQEWSA-N 1 0 354.494 3.726 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CSCc2c(F)cccc2Cl)CC1 ZINC000010540330 204398017 /nfs/dbraw/zinc/39/80/17/204398017.db2.gz NJLDLSJUISXMBX-UHFFFAOYSA-N 1 0 372.937 3.951 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CSCc2ccccc2Cl)CC1 ZINC000013675257 204544478 /nfs/dbraw/zinc/54/44/78/204544478.db2.gz QZULYEBYUPQUPO-UHFFFAOYSA-N 1 0 354.947 3.811 40 0 FHABRO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000031666885 204919316 /nfs/dbraw/zinc/91/93/16/204919316.db2.gz VVGRGELMCDPQSV-SFHVURJKSA-N 1 0 362.926 3.615 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000033223359 204960667 /nfs/dbraw/zinc/96/06/67/204960667.db2.gz OURPZYJVLVUYRB-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CN(CCNC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000044916919 205115219 /nfs/dbraw/zinc/11/52/19/205115219.db2.gz DNZZTEOAZHXBTF-UHFFFAOYSA-N 1 0 365.521 3.929 40 0 FHABRO CCOc1ccc([C@@H]2CC[NH2+]C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000067665300 205381169 /nfs/dbraw/zinc/38/11/69/205381169.db2.gz NRDNQJUHWODZBN-LPHOPBHVSA-N 1 0 355.434 3.586 40 0 in-vitro FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000107728389 206024132 /nfs/dbraw/zinc/02/41/32/206024132.db2.gz QQTZKGMAIOOPOE-TZIWHRDSSA-N 1 0 356.441 3.680 40 0 FHABRO Cc1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108527793 206031911 /nfs/dbraw/zinc/03/19/11/206031911.db2.gz JLCOAVYGYAWDTA-LJQANCHMSA-N 1 0 370.472 3.550 40 0 FHABRO C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(-c2ccccc2)n1 ZINC000244423460 206119897 /nfs/dbraw/zinc/11/98/97/206119897.db2.gz YUYIRVDWMARKOJ-UHFFFAOYSA-N 1 0 362.481 3.514 40 0 FHABRO CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)Nc2ccccc2)no1 ZINC000008623768 206215679 /nfs/dbraw/zinc/21/56/79/206215679.db2.gz TVZQQJWWXOFVCR-HOTGVXAUSA-N 1 0 355.482 3.769 40 0 biogenic,in-vitro FHABRO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000223198358 206434405 /nfs/dbraw/zinc/43/44/05/206434405.db2.gz VXHUOLNTCZFXJG-INIZCTEOSA-N 1 0 368.477 3.791 40 0 FHABRO Cc1cccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224696048 206462780 /nfs/dbraw/zinc/46/27/80/206462780.db2.gz OOOYUBAIMOHOOH-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000224791113 206463858 /nfs/dbraw/zinc/46/38/58/206463858.db2.gz RDHBDZBEAXBMFH-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CNc1cc(N2CCc3cc(Br)ccc3C2)nc(C(C)C)[nH+]1 ZINC000329013159 132372683 /nfs/dbraw/zinc/37/26/83/132372683.db2.gz MPHASSWKVZSUPH-UHFFFAOYSA-N 1 0 361.287 3.967 40 0 FHABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329026893 132372739 /nfs/dbraw/zinc/37/27/39/132372739.db2.gz POYYZHYMSBKHEU-GOSISDBHSA-N 1 0 354.498 3.512 40 0 FHABRO O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340642 136144636 /nfs/dbraw/zinc/14/46/36/136144636.db2.gz FGQWEHGBRRYSPJ-NRFANRHFSA-N 1 0 365.502 3.547 40 0 FHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039743399 263399209 /nfs/dbraw/zinc/39/92/09/263399209.db2.gz DPRDHERXSASUPA-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSCc3ccco3)CC2)cc1 ZINC000039742645 263399792 /nfs/dbraw/zinc/39/97/92/263399792.db2.gz OSUYNNOXMQWFIG-UHFFFAOYSA-N 1 0 372.534 3.850 40 0 FHABRO Cc1cc(Nc2cc(C(F)(F)F)nc(NCC[NH+](C)C)n2)ccc1Cl ZINC000329023996 525304980 /nfs/dbraw/zinc/30/49/80/525304980.db2.gz OXUYELBRZOLJDG-UHFFFAOYSA-N 1 0 373.810 3.596 40 0 FHABRO CC[C@@H](C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328993026 535568045 /nfs/dbraw/zinc/56/80/45/535568045.db2.gz IXQVOQKFVXSKME-HZPDHXFCSA-N 1 0 368.525 3.848 40 0 FHABRO CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113959948 535817809 /nfs/dbraw/zinc/81/78/09/535817809.db2.gz ZKTGXXCDVGFDRW-OAQYLSRUSA-N 1 0 367.493 3.543 40 0 FHABRO C[NH+](C)CCCN1CN=C(c2ccccc2)N(c2ccc(Cl)cc2)C1 ZINC000022609051 535832861 /nfs/dbraw/zinc/83/28/61/535832861.db2.gz PQBVMLDKOPIJNS-UHFFFAOYSA-N 1 0 356.901 3.776 40 0 FHABRO COc1ccccc1-c1cn2c(n1)CO[C@@H](C[NH2+]Cc1ccc(C)cc1)C2 ZINC000096269420 560054262 /nfs/dbraw/zinc/05/42/62/560054262.db2.gz ACUCFDQVYPSVPT-SFHVURJKSA-N 1 0 363.461 3.556 40 0 biogenic,in-vitro FHABRO C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000222592023 568543186 /nfs/dbraw/zinc/54/31/86/568543186.db2.gz NITPBPHDNPWEKE-CCKFTAQKSA-N 1 0 361.474 3.857 40 0 FHABRO C[C@@H]1CCC[N@H+](CCCNC(=O)CSCc2ccc(Cl)cc2F)C1 ZINC000223229773 568628452 /nfs/dbraw/zinc/62/84/52/568628452.db2.gz REXGVWDNKZBJJT-CQSZACIVSA-N 1 0 372.937 3.951 40 0 FHABRO CCCC[NH2+]Cc1ccc(O[C@@H](C)C(=O)OCC)c(Br)c1 ZINC000016638895 570450991 /nfs/dbraw/zinc/45/09/91/570450991.db2.gz KTGZAMFATFPJIT-LBPRGKRZSA-N 1 0 358.276 3.669 40 0 FHABRO COC(=O)c1ccc2[nH]c(C)c(C[NH+](CC(C)C)CC(C)C)c(=O)c2c1 ZINC000000949575 570465550 /nfs/dbraw/zinc/46/55/50/570465550.db2.gz MWOLNXHOAVGMLY-UHFFFAOYSA-N 1 0 358.482 3.737 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)s1 ZINC000096047120 570473275 /nfs/dbraw/zinc/47/32/75/570473275.db2.gz NYLYVZMGXXVUDU-NRFANRHFSA-N 1 0 369.534 3.509 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)o1 ZINC000096040185 570473337 /nfs/dbraw/zinc/47/33/37/570473337.db2.gz VMXWFGDFSHZRGR-LEWJYISDSA-N 1 0 356.466 3.571 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052581 570474127 /nfs/dbraw/zinc/47/41/27/570474127.db2.gz GZWRRZOWKBNNGM-GOSISDBHSA-N 1 0 366.480 3.983 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccc(C)n4)C3=O)C2)s1 ZINC000096048794 570474563 /nfs/dbraw/zinc/47/45/63/570474563.db2.gz XZYSRVGFOWHWTN-NRFANRHFSA-N 1 0 369.534 3.775 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NCC1CC1 ZINC000096052695 570474653 /nfs/dbraw/zinc/47/46/53/570474653.db2.gz VYPIVXFRGXVZEI-LJQANCHMSA-N 1 0 352.522 3.834 40 0 FHABRO Cc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)s1 ZINC000096062397 570474989 /nfs/dbraw/zinc/47/49/89/570474989.db2.gz ULTZJBZJPLZPAG-LJQANCHMSA-N 1 0 362.564 3.843 40 0 FHABRO c1csc(NC[C@@H]2CO[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1 ZINC000096075712 570475091 /nfs/dbraw/zinc/47/50/91/570475091.db2.gz ODTCPRFBVSPXNF-UYAOXDASSA-N 1 0 357.523 3.669 40 0 FHABRO COCC[NH+]1CCC2(C[C@@H](NCc3csc(C)n3)c3ccccc32)CC1 ZINC000096078999 570475114 /nfs/dbraw/zinc/47/51/14/570475114.db2.gz POSNRBHBWGCZAU-HXUWFJFHSA-N 1 0 371.550 3.666 40 0 FHABRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC000096073283 570475124 /nfs/dbraw/zinc/47/51/24/570475124.db2.gz AZNWOVLNDBLNSK-LJQANCHMSA-N 1 0 358.526 3.705 40 0 FHABRO CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106424 570475588 /nfs/dbraw/zinc/47/55/88/570475588.db2.gz NWTIYTZODCQJOL-LJQANCHMSA-N 1 0 354.494 3.890 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106844 570475634 /nfs/dbraw/zinc/47/56/34/570475634.db2.gz LPGJWJOLTQBSJP-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)COCCN(c2cccnc2)C3)s1 ZINC000096239975 570479410 /nfs/dbraw/zinc/47/94/10/570479410.db2.gz UCBJGDUWKSCFSH-UHFFFAOYSA-N 1 0 357.523 3.571 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)cs1 ZINC000096218282 570479671 /nfs/dbraw/zinc/47/96/71/570479671.db2.gz KQWKCBWVJDVIAB-IBGZPJMESA-N 1 0 358.507 3.731 40 0 FHABRO O=C(N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccco1 ZINC000096242811 570480102 /nfs/dbraw/zinc/48/01/02/570480102.db2.gz VOBIOMDVNOVJMK-GOSISDBHSA-N 1 0 366.461 3.778 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)[C@@H]1Cc1ccc(C)cc1 ZINC000585283626 570493042 /nfs/dbraw/zinc/49/30/42/570493042.db2.gz AZDQUPRLSTXPQD-GOTSBHOMSA-N 1 0 350.506 3.749 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2F)[C@@H]1Cc1cccc(C)c1 ZINC000585286935 570494672 /nfs/dbraw/zinc/49/46/72/570494672.db2.gz YCHDJHOXYCUSQF-GOTSBHOMSA-N 1 0 368.496 3.888 40 0 FHABRO Cc1ccccc1OCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585290107 570495453 /nfs/dbraw/zinc/49/54/53/570495453.db2.gz ZXUGGWXFKOTGLL-VLCRHTCISA-N 1 0 355.478 3.633 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000585290446 570495947 /nfs/dbraw/zinc/49/59/47/570495947.db2.gz WKFOSAJRSWKYKW-BHDDXSALSA-N 1 0 368.452 3.800 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345972 570538191 /nfs/dbraw/zinc/53/81/91/570538191.db2.gz JMKFNPRLBRGUFB-INIZCTEOSA-N 1 0 363.440 3.640 40 0 FHABRO OCCN(CCO)C(=[NH+]c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000408734379 570685339 /nfs/dbraw/zinc/68/53/39/570685339.db2.gz OZMWXFBPYZGRLC-UHFFFAOYSA-N 1 0 374.484 3.802 40 0 FHABRO CC(C)(C)Nc1c(C2CCN(C(=O)C3CC3)CC2)[nH+]c2ccc(F)cn21 ZINC000012087476 570717044 /nfs/dbraw/zinc/71/70/44/570717044.db2.gz MCWMCESGGFHCOW-UHFFFAOYSA-N 1 0 358.461 3.800 40 0 FHABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC(C)(C)C[N@H+]1CCC[C@@H](C)C1 ZINC000012143799 570722314 /nfs/dbraw/zinc/72/23/14/570722314.db2.gz WGJISNWLJJQROS-OAHLLOKOSA-N 1 0 354.498 3.625 40 0 FHABRO COc1ccc(C2([NH2+]Cc3cn(CCCO)c4ccccc34)CC2)cc1 ZINC000012238659 570730555 /nfs/dbraw/zinc/73/05/55/570730555.db2.gz NNVJOFAZAVZKKQ-UHFFFAOYSA-N 1 0 350.462 3.811 40 0 FHABRO Cc1ccccc1C1(O)CC[NH+](C[C@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012292586 570732372 /nfs/dbraw/zinc/73/23/72/570732372.db2.gz ODKSCRADHGZZPQ-QFIPXVFZSA-N 1 0 351.490 3.501 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000012292606 570732377 /nfs/dbraw/zinc/73/23/77/570732377.db2.gz VVDQKUXSOXMJEU-QFIPXVFZSA-N 1 0 369.480 3.722 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1C ZINC000012293495 570732778 /nfs/dbraw/zinc/73/27/78/570732778.db2.gz TVUCETDCRVUAOQ-LEWJYISDSA-N 1 0 367.489 3.688 40 0 FHABRO CCC[N@@H+]1C[C@H](NC(=O)c2c(F)cccc2F)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364770 570739135 /nfs/dbraw/zinc/73/91/35/570739135.db2.gz BFIBFTQGBQYMON-APWZRJJASA-N 1 0 374.431 3.581 40 0 FHABRO Cc1cnc2c(C(=O)Nc3ccccc3C[NH+]3CCCCCC3)cnn2c1 ZINC000019239344 570883596 /nfs/dbraw/zinc/88/35/96/570883596.db2.gz PHVFPERWNRKVNL-UHFFFAOYSA-N 1 0 363.465 3.666 40 0 FHABRO CC1CC[NH+]([C@@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1 ZINC000019496804 570890312 /nfs/dbraw/zinc/89/03/12/570890312.db2.gz SVMNVCGIJVGCRP-NRFANRHFSA-N 1 0 351.494 3.604 40 0 FHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019503681 570891136 /nfs/dbraw/zinc/89/11/36/570891136.db2.gz QFXGBGHQXQRGOM-HNNXBMFYSA-N 1 0 361.873 3.847 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1c(C)nn(C(C)C)c1C)Cc1ccccn1 ZINC000019527150 570892243 /nfs/dbraw/zinc/89/22/43/570892243.db2.gz BBBMHGMCHNMNIY-NRFANRHFSA-N 1 0 369.557 3.962 40 0 FHABRO COc1cc2c(cc1C[NH+]1CCC(c3cc4nccnc4[nH]3)CC1)CCC2 ZINC000019550557 570892839 /nfs/dbraw/zinc/89/28/39/570892839.db2.gz OIMKURWFBXUCDR-UHFFFAOYSA-N 1 0 362.477 3.835 40 0 FHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c1 ZINC000019565510 570893999 /nfs/dbraw/zinc/89/39/99/570893999.db2.gz OCMIRAYIGBQHAM-VQTJNVASSA-N 1 0 351.425 3.941 40 0 FHABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3Cc3ccccc3Cl)ncc2C1 ZINC000019590348 570895802 /nfs/dbraw/zinc/89/58/02/570895802.db2.gz QYYRBQWKPSLHOL-IBGZPJMESA-N 1 0 356.901 3.845 40 0 FHABRO Cc1cc(C)n(C2CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)n1 ZINC000019656691 570896953 /nfs/dbraw/zinc/89/69/53/570896953.db2.gz QKARPBDLQXAMAN-UHFFFAOYSA-N 1 0 353.445 3.662 40 0 FHABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 ZINC000019690538 570898583 /nfs/dbraw/zinc/89/85/83/570898583.db2.gz RCKTYTYFYIFXAA-UHFFFAOYSA-N 1 0 364.468 3.925 40 0 FHABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)n1 ZINC000019717466 570900430 /nfs/dbraw/zinc/90/04/30/570900430.db2.gz ZDYDUBKNTZTHOG-UHFFFAOYSA-N 1 0 357.889 3.861 40 0 FHABRO COc1cc2c(cc1-c1cncn1C[C@@H](C)[NH+]1CCCCC1)OCCCO2 ZINC000019720016 570900846 /nfs/dbraw/zinc/90/08/46/570900846.db2.gz WJVHKBDLQCXSNP-MRXNPFEDSA-N 1 0 371.481 3.594 40 0 FHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000224525845 570991908 /nfs/dbraw/zinc/99/19/08/570991908.db2.gz LWMPRKJSMHUFQU-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000225213010 571022739 /nfs/dbraw/zinc/02/27/39/571022739.db2.gz WYXQJNYFSBUEQY-UHFFFAOYSA-N 1 0 367.946 3.578 40 0 FHABRO Cc1ccc(-c2cnc3n2C2(CC[NH+](Cc4cccnc4)CC2)COC3)cc1 ZINC000306134324 571039072 /nfs/dbraw/zinc/03/90/72/571039072.db2.gz NJCQAKCEDPKPFY-UHFFFAOYSA-N 1 0 374.488 3.775 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135170 571039113 /nfs/dbraw/zinc/03/91/13/571039113.db2.gz OJSVPQZBCAVOEE-IRXDYDNUSA-N 1 0 365.502 3.925 40 0 FHABRO c1ccc([C@@H]2C[N@@H+](CC3CC3)Cc3cnc(Nc4cccnc4)nc32)cc1 ZINC000306136310 571039466 /nfs/dbraw/zinc/03/94/66/571039466.db2.gz PPRLEBZDZMSIHX-FQEVSTJZSA-N 1 0 357.461 3.973 40 0 FHABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306137933 571040690 /nfs/dbraw/zinc/04/06/90/571040690.db2.gz RKGNRFLJMRVDNS-HXUWFJFHSA-N 1 0 370.460 3.566 40 0 FHABRO NC(=O)O[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@@H]12 ZINC000031297676 571054047 /nfs/dbraw/zinc/05/40/47/571054047.db2.gz RVPQELWEPXXXPC-ZHALLVOQSA-N 1 0 362.445 3.517 40 0 in-man FHABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329033289 571107966 /nfs/dbraw/zinc/10/79/66/571107966.db2.gz QTHXZWDJVNZHMS-OAHLLOKOSA-N 1 0 354.498 3.691 40 0 FHABRO Cc1nc(C[C@@H]2CCC[NH2+]CC2)cc(-c2cnc3ccc(Cl)cn32)n1 ZINC000585262751 571125599 /nfs/dbraw/zinc/12/55/99/571125599.db2.gz CABZHPBAZKHNOY-CQSZACIVSA-N 1 0 355.873 3.685 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)s1 ZINC000248127793 571127879 /nfs/dbraw/zinc/12/78/79/571127879.db2.gz XODLUZWKOYXKFN-YYWHXJBOSA-N 1 0 372.534 3.956 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)o1 ZINC000248122157 571127909 /nfs/dbraw/zinc/12/79/09/571127909.db2.gz VMXWFGDFSHZRGR-RTWAWAEBSA-N 1 0 356.466 3.571 40 0 FHABRO CC(C)(CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1=CCCCC1 ZINC000627015515 571145734 /nfs/dbraw/zinc/14/57/34/571145734.db2.gz SLOLWYIATGPJRD-HIFRSBDPSA-N 1 0 361.452 3.682 40 0 FHABRO NC(=O)O[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000256000355 571147922 /nfs/dbraw/zinc/14/79/22/571147922.db2.gz RVPQELWEPXXXPC-ZIFCJYIRSA-N 1 0 362.445 3.517 40 0 FHABRO Cc1ccc2c(C(=O)N3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)csc2c1 ZINC000333296876 571148309 /nfs/dbraw/zinc/14/83/09/571148309.db2.gz PLRJPCLGXCNTQZ-MAUKXSAKSA-N 1 0 358.507 3.568 40 0 FHABRO Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)[nH+]1 ZINC000257209522 571150100 /nfs/dbraw/zinc/15/01/00/571150100.db2.gz BQTBPDZAIFPFNL-HNNXBMFYSA-N 1 0 351.441 3.597 40 0 FHABRO Cc1noc(C)c1-c1cccc(C2CC[NH+](Cc3ccnc(C)n3)CC2)n1 ZINC000257232014 571152455 /nfs/dbraw/zinc/15/24/55/571152455.db2.gz GIZUUSOHMXQPBL-UHFFFAOYSA-N 1 0 363.465 3.831 40 0 FHABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 ZINC000257270080 571156353 /nfs/dbraw/zinc/15/63/53/571156353.db2.gz MSRMNTJJADPYLR-QGZVFWFLSA-N 1 0 355.507 3.671 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ncccn4)c3)C2)nc1 ZINC000257289904 571158720 /nfs/dbraw/zinc/15/87/20/571158720.db2.gz QASJOJYHCHHOOF-MRXNPFEDSA-N 1 0 364.428 3.529 40 0 FHABRO O=C1CCC[C@]2(C[N@H+](Cc3ccc4[nH]ccc4c3)C[C@H]2c2ccccc2)N1 ZINC000257294636 571159060 /nfs/dbraw/zinc/15/90/60/571159060.db2.gz QVADXEZAQFKXCK-NZQKXSOJSA-N 1 0 359.473 3.806 40 0 FHABRO O=C(NCCCC[NH+]1CCCCC1)Nc1ccc(Br)cc1 ZINC000071256254 571160376 /nfs/dbraw/zinc/16/03/76/571160376.db2.gz GIICWEAVNMPFGW-UHFFFAOYSA-N 1 0 354.292 3.837 40 0 FHABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)c1 ZINC000257320707 571161650 /nfs/dbraw/zinc/16/16/50/571161650.db2.gz VYEFIRNNGRIYSB-AWEZNQCLSA-N 1 0 352.413 3.682 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257344585 571163219 /nfs/dbraw/zinc/16/32/19/571163219.db2.gz ZXXPRZOSKHYIQB-LJQANCHMSA-N 1 0 371.456 3.554 40 0 FHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)COc1ccccc1Cl)C2 ZINC000257343057 571163225 /nfs/dbraw/zinc/16/32/25/571163225.db2.gz ZRHLRQUNAHOOMG-DEYWJSPQSA-N 1 0 362.901 3.583 40 0 FHABRO Cc1cccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000026780473 571169103 /nfs/dbraw/zinc/16/91/03/571169103.db2.gz YUEPRKAKQFHNRT-JOCHJYFZSA-N 1 0 353.506 3.998 40 0 FHABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072350002 571181267 /nfs/dbraw/zinc/18/12/67/571181267.db2.gz ZSEDXYPPIKOCIA-SFHVURJKSA-N 1 0 362.477 3.870 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cn1 ZINC000072349980 571181454 /nfs/dbraw/zinc/18/14/54/571181454.db2.gz XZAXKNKJOKNFJD-IBGZPJMESA-N 1 0 364.468 3.925 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350114 571181673 /nfs/dbraw/zinc/18/16/73/571181673.db2.gz DLTBOQDZNKWJIS-INIZCTEOSA-N 1 0 357.885 3.670 40 0 FHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355446 571182450 /nfs/dbraw/zinc/18/24/50/571182450.db2.gz CETDDNMVAWAZNZ-KRWDZBQOSA-N 1 0 365.456 3.743 40 0 FHABRO CC(=O)N1CCC([N@@H+]2CCC[C@H]2c2cccc(Cc3ccccc3)n2)CC1 ZINC000072358185 571183194 /nfs/dbraw/zinc/18/31/94/571183194.db2.gz LAONGVPNLUKESG-QHCPKHFHSA-N 1 0 363.505 3.820 40 0 FHABRO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@@H+]1CC1CC1 ZINC000072370283 571184963 /nfs/dbraw/zinc/18/49/63/571184963.db2.gz MOMLBOTWLHMPOW-INIZCTEOSA-N 1 0 372.534 3.694 40 0 FHABRO CCN(CC)C(=O)CN1CCC[C@@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372472 571185253 /nfs/dbraw/zinc/18/52/53/571185253.db2.gz SPTRUJUBIPRDGK-LJQANCHMSA-N 1 0 367.497 3.534 40 0 FHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378679 571186903 /nfs/dbraw/zinc/18/69/03/571186903.db2.gz DIBQYDIKLAHLMN-HXUWFJFHSA-N 1 0 361.493 3.994 40 0 FHABRO c1ccc(CCC[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377924 571186998 /nfs/dbraw/zinc/18/69/98/571186998.db2.gz NUWVSEHCDVMSJX-IBGZPJMESA-N 1 0 374.492 3.822 40 0 FHABRO c1ccc(CCC[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377920 571187042 /nfs/dbraw/zinc/18/70/42/571187042.db2.gz YDQXVJKMVQUFIE-LJQANCHMSA-N 1 0 360.465 3.780 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389948 571189308 /nfs/dbraw/zinc/18/93/08/571189308.db2.gz OQTDWUVSQSGBCP-QGZVFWFLSA-N 1 0 350.422 3.520 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1F ZINC000072389966 571189335 /nfs/dbraw/zinc/18/93/35/571189335.db2.gz GONSLVPZOVYTCP-OAHLLOKOSA-N 1 0 356.376 3.789 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1F ZINC000072389997 571189717 /nfs/dbraw/zinc/18/97/17/571189717.db2.gz ARSJRGNFGPCZRP-HNNXBMFYSA-N 1 0 356.376 3.789 40 0 FHABRO C[C@H]([NH2+]Cc1cc(-c2ccc(F)cc2)cn2nnnc12)c1cccs1 ZINC000072392367 571189912 /nfs/dbraw/zinc/18/99/12/571189912.db2.gz GQUNYVRBDQDWOV-LBPRGKRZSA-N 1 0 353.426 3.843 40 0 FHABRO COc1cccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000072391144 571189947 /nfs/dbraw/zinc/18/99/47/571189947.db2.gz LKDBJCQMQBTHQH-NJDAHSKKSA-N 1 0 368.452 3.537 40 0 FHABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2cccs2)Cc2ccncc2)on1 ZINC000072395062 571190286 /nfs/dbraw/zinc/19/02/86/571190286.db2.gz PHVCCKKMEJPVCX-YLJYHZDGSA-N 1 0 369.490 3.699 40 0 FHABRO COCc1ccc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)o1 ZINC000072396703 571190767 /nfs/dbraw/zinc/19/07/67/571190767.db2.gz ZAQLWJDCGYHEKV-ZDUSSCGKSA-N 1 0 374.466 3.621 40 0 FHABRO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000036047188 571204392 /nfs/dbraw/zinc/20/43/92/571204392.db2.gz NGGKDTCGSHXTLI-MLDBQTBOSA-N 1 0 374.569 3.647 40 0 FHABRO c1csc(-c2cnc3n2C[C@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306124570 571213182 /nfs/dbraw/zinc/21/31/82/571213182.db2.gz BTSNDIUTSMGAMG-GOSISDBHSA-N 1 0 357.504 3.848 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 ZINC000585100553 571221290 /nfs/dbraw/zinc/22/12/90/571221290.db2.gz NHKPEQDTSBTUED-QFIPXVFZSA-N 1 0 367.468 3.768 40 0 FHABRO O=C(c1ccncc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100697 571221426 /nfs/dbraw/zinc/22/14/26/571221426.db2.gz TWTOOAJMPTWONU-QFIPXVFZSA-N 1 0 367.468 3.882 40 0 FHABRO COc1cccc2cc(C(=O)N3CCC[C@@]4(CC[N@@H+]4CC(C)C)C3)oc21 ZINC000585102056 571222121 /nfs/dbraw/zinc/22/21/21/571222121.db2.gz OWJAYCFOUXXANQ-OAQYLSRUSA-N 1 0 356.466 3.778 40 0 FHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)c1 ZINC000585104956 571224041 /nfs/dbraw/zinc/22/40/41/571224041.db2.gz MUDHAORBGOWNAF-IBGZPJMESA-N 1 0 356.466 3.653 40 0 FHABRO CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247853074 571290880 /nfs/dbraw/zinc/29/08/80/571290880.db2.gz WQBSKAJHYXKTIA-HSQYWUDLSA-N 1 0 371.500 3.860 40 0 FHABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000248245922 571291245 /nfs/dbraw/zinc/29/12/45/571291245.db2.gz LZHQUJSFDRRAFA-NQSCKRDGSA-N 1 0 353.462 3.521 40 0 FHABRO CCCCC(=O)N1CCC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2C)C1 ZINC000253588959 571291727 /nfs/dbraw/zinc/29/17/27/571291727.db2.gz BPMSWIXPPOYMTI-SJLPKXTDSA-N 1 0 374.525 3.804 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000012291628 571303447 /nfs/dbraw/zinc/30/34/47/571303447.db2.gz DWGDIURVIOMZOG-VGOFRKELSA-N 1 0 370.537 3.921 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216603 571303813 /nfs/dbraw/zinc/30/38/13/571303813.db2.gz WXDOUYDZPYTWSA-XMSQKQJNSA-N 1 0 368.477 3.610 40 0 FHABRO C[C@@H](CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019455608 571303958 /nfs/dbraw/zinc/30/39/58/571303958.db2.gz WTNDVPBYVSXRMO-FXAWDEMLSA-N 1 0 374.488 3.815 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)s1 ZINC000019704288 571304450 /nfs/dbraw/zinc/30/44/50/571304450.db2.gz MBJNDXMGPFHYJO-HNNXBMFYSA-N 1 0 354.479 3.743 40 0 FHABRO CC[NH2+][C@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C2(C1)CCCCC2 ZINC000019703923 571304458 /nfs/dbraw/zinc/30/44/58/571304458.db2.gz UGXNDAMZVJZEAD-QGZVFWFLSA-N 1 0 369.509 3.714 40 0 FHABRO CC[N@H+](C)[C@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019704929 571304620 /nfs/dbraw/zinc/30/46/20/571304620.db2.gz XRINXNSRRUSNGA-LJQANCHMSA-N 1 0 357.498 3.514 40 0 FHABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000020110147 571304834 /nfs/dbraw/zinc/30/48/34/571304834.db2.gz IFJFHGQVMURPJP-YLJYHZDGSA-N 1 0 362.514 3.623 40 0 FHABRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1N(C)c1nc(Cl)nc2[nH]ccc21 ZINC000034850198 571306190 /nfs/dbraw/zinc/30/61/90/571306190.db2.gz MXIDKFWWKNFJKE-PBHICJAKSA-N 1 0 369.900 3.958 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1 ZINC000006629894 941152994 /nfs/dbraw/zinc/15/29/94/941152994.db2.gz VRMXJPMYZRYTSW-UHFFFAOYSA-N 1 0 355.507 3.964 40 0 FHABRO O=C1O[C@H](CC[NH+]2CCCCC2)OC1(c1ccccc1)c1ccccc1 ZINC000000608027 203804631 /nfs/dbraw/zinc/80/46/31/203804631.db2.gz DXSUDONPFZKWOO-FQEVSTJZSA-N 1 0 351.446 3.706 40 0 in-man FHABRO Clc1ccc(N2NN[n+]3cc(Br)c4ccccc4c32)cc1 ZINC000002556075 204044340 /nfs/dbraw/zinc/04/43/40/204044340.db2.gz TXCCXCAMKPXWNL-UHFFFAOYSA-N 1 0 362.638 3.658 40 0 FHABRO C[NH+](C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000004705796 204157008 /nfs/dbraw/zinc/15/70/08/204157008.db2.gz TZYDTPVLMWSHME-LYVQAJBDSA-N 1 0 374.569 3.658 40 0 in-vitro FHABRO c1cc2cc3c(cc2cc1C[C@H]1[NH2+]CCc2cc4c(cc21)OCO4)OCO3 ZINC000005121163 204193406 /nfs/dbraw/zinc/19/34/06/204193406.db2.gz IGJNEBWJSQFDNV-GOSISDBHSA-N 1 0 361.397 3.727 40 0 FHABRO Cc1cc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)ccc1C(C)C ZINC000006008657 204233133 /nfs/dbraw/zinc/23/31/33/204233133.db2.gz XUKIHVRTKIVLKB-GOSISDBHSA-N 1 0 363.542 3.872 40 0 FHABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)oc21 ZINC000035446948 204283986 /nfs/dbraw/zinc/28/39/86/204283986.db2.gz TYEJTJPQZLTUNL-HNNXBMFYSA-N 1 0 366.417 3.613 40 0 biogenic,in-vitro FHABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1F ZINC000007448823 204297751 /nfs/dbraw/zinc/29/77/51/204297751.db2.gz DNSQPTDBZIHZKQ-UHFFFAOYSA-N 1 0 356.441 3.750 40 0 FHABRO O=C(COc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430300 204331120 /nfs/dbraw/zinc/33/11/20/204331120.db2.gz DMVXLVVYJLRGKP-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO COc1cc(C[NH2+]CCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008471415 204332727 /nfs/dbraw/zinc/33/27/27/204332727.db2.gz DKLACEFJDFSXLD-UHFFFAOYSA-N 1 0 356.249 3.663 40 0 FHABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000019456069 204683541 /nfs/dbraw/zinc/68/35/41/204683541.db2.gz HRMBPBHXLNGPTO-VGOFRKELSA-N 1 0 351.494 3.775 40 0 FHABRO CC(C)Oc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462514 204929370 /nfs/dbraw/zinc/92/93/70/204929370.db2.gz OSVXYCADKCTLHN-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCCS3)cc1 ZINC000032611747 204931773 /nfs/dbraw/zinc/93/17/73/204931773.db2.gz QSZHBENDJWJLOP-UHFFFAOYSA-N 1 0 353.467 3.945 40 0 FHABRO COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849452 205042412 /nfs/dbraw/zinc/04/24/12/205042412.db2.gz BFTNUOSSJSOJIG-QGZVFWFLSA-N 1 0 356.441 3.993 40 0 FHABRO COc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848867 205042615 /nfs/dbraw/zinc/04/26/15/205042615.db2.gz KASBDJSNBPCSCW-GOSISDBHSA-N 1 0 372.896 3.877 40 0 FHABRO COc1ccc(S[C@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000044847791 205111202 /nfs/dbraw/zinc/11/12/02/205111202.db2.gz QGLPVVUUDCRGQV-IXDOHACOSA-N 1 0 364.555 3.660 40 0 FHABRO Cc1ccccc1CS(=O)(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874780 205112700 /nfs/dbraw/zinc/11/27/00/205112700.db2.gz ICXXJJDHWSSDFU-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(F)cc1 ZINC000044899986 205113080 /nfs/dbraw/zinc/11/30/80/205113080.db2.gz JLVGFYLSRBOWKS-GOSISDBHSA-N 1 0 352.519 3.830 40 0 FHABRO Cc1ccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000044874790 205113201 /nfs/dbraw/zinc/11/32/01/205113201.db2.gz RBVQQIUVUJTUMM-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO O=C(CSCc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857205 205113900 /nfs/dbraw/zinc/11/39/00/205113900.db2.gz IQKPQCIEGAMZET-UHFFFAOYSA-N 1 0 354.519 3.832 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046374922 205135429 /nfs/dbraw/zinc/13/54/29/205135429.db2.gz CMRNBHXEYXUJCT-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000060816737 205285694 /nfs/dbraw/zinc/28/56/94/205285694.db2.gz XLTHLDILRPMXCA-LMMKCTJWSA-N 1 0 374.525 3.611 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3cccnc3)CC2)s1 ZINC000096049377 205808575 /nfs/dbraw/zinc/80/85/75/205808575.db2.gz ZRCCAXSXDDZJEP-UHFFFAOYSA-N 1 0 355.507 3.609 40 0 FHABRO Cc1cccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000100749992 205948194 /nfs/dbraw/zinc/94/81/94/205948194.db2.gz IAVMHKVDDWJUKA-ZWCUEREDSA-N 1 0 351.494 3.555 40 0 FHABRO CC1CC[NH+](CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000105587816 206008873 /nfs/dbraw/zinc/00/88/73/206008873.db2.gz JRVIUYWHPYAVPY-UHFFFAOYSA-N 1 0 352.906 3.736 40 0 FHABRO c1csc(NC[C@H]2CO[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1 ZINC000107790676 206023039 /nfs/dbraw/zinc/02/30/39/206023039.db2.gz ODTCPRFBVSPXNF-AZUAARDMSA-N 1 0 357.523 3.669 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000107728510 206023328 /nfs/dbraw/zinc/02/33/28/206023328.db2.gz FTYOTOMNKQDXBK-KNQAVFIVSA-N 1 0 368.477 3.549 40 0 FHABRO Clc1ccccc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108531891 206034348 /nfs/dbraw/zinc/03/43/48/206034348.db2.gz LYPOMTQEWBCRNY-KRWDZBQOSA-N 1 0 372.900 3.756 40 0 FHABRO Cc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)o1 ZINC000049170220 206087202 /nfs/dbraw/zinc/08/72/02/206087202.db2.gz RZWVETKNVVLMJC-INIZCTEOSA-N 1 0 352.438 3.694 40 0 biogenic,in-vitro FHABRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](Cc1c([O-])c(C[NH+]3CCCCC3)coc1=O)C2 ZINC000100797369 206225453 /nfs/dbraw/zinc/22/54/53/206225453.db2.gz BGMYQYRUPAWSIA-JTSKRJEESA-N 1 0 374.525 3.732 40 0 FHABRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@@H](O)COCCOc1ccc(Cl)cc1 ZINC000012549380 206293210 /nfs/dbraw/zinc/29/32/10/206293210.db2.gz OSISLWGQAJWPLM-MGTHKWJCSA-N 1 0 355.906 3.511 40 0 FHABRO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc(OC)c1OC ZINC000013993289 206307661 /nfs/dbraw/zinc/30/76/61/206307661.db2.gz HDJYFTBSBDFGED-LJQANCHMSA-N 1 0 371.477 3.894 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000019019658 206325237 /nfs/dbraw/zinc/32/52/37/206325237.db2.gz QMGLMUCBHRPOGI-JTAQYXEDSA-N 1 0 368.521 3.864 40 0 FHABRO CCCCOc1ccc(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019502292 206326686 /nfs/dbraw/zinc/32/66/86/206326686.db2.gz XVTJNUWCPNAEFJ-UHFFFAOYSA-N 1 0 373.541 3.754 40 0 FHABRO CCCC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139178 206330518 /nfs/dbraw/zinc/33/05/18/206330518.db2.gz AXRYZIGWIHHBBS-SFHVURJKSA-N 1 0 362.566 3.610 40 0 FHABRO [NH3+]C[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218645916 206372469 /nfs/dbraw/zinc/37/24/69/206372469.db2.gz CCBRIIRNEXJGBX-BZUAXINKSA-N 1 0 356.274 3.508 40 0 FHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccc(Br)cc1 ZINC000224590480 206461756 /nfs/dbraw/zinc/46/17/56/206461756.db2.gz RFUAXGJKNQEPDP-UHFFFAOYSA-N 1 0 373.294 3.975 40 0 FHABRO Cn1cc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)c2ccccc21 ZINC000096296296 206541820 /nfs/dbraw/zinc/54/18/20/206541820.db2.gz DKWDHTZUYZRMFO-IBGZPJMESA-N 1 0 372.472 3.730 40 0 biogenic,in-vitro FHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccnc1-c1cncs1 ZINC000257218619 206601526 /nfs/dbraw/zinc/60/15/26/206601526.db2.gz DDUUGXDIZUXLQP-PXNSSMCTSA-N 1 0 370.522 3.684 40 0 FHABRO Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257330611 206625746 /nfs/dbraw/zinc/62/57/46/206625746.db2.gz XPBWEUSZMAYLBB-JXFKEZNVSA-N 1 0 370.522 3.650 40 0 FHABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328964965 132371831 /nfs/dbraw/zinc/37/18/31/132371831.db2.gz BZOUKGHCTUMJHD-SFHVURJKSA-N 1 0 354.498 3.555 40 0 FHABRO CC(C)c1nc(N2CCc3ccccc3C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329010838 132372644 /nfs/dbraw/zinc/37/26/44/132372644.db2.gz MCHLZHDREUEADJ-GOSISDBHSA-N 1 0 354.498 3.592 40 0 FHABRO CC(C)c1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329031749 132372719 /nfs/dbraw/zinc/37/27/19/132372719.db2.gz QKYGIMIDLKLOPM-UHFFFAOYSA-N 1 0 366.509 3.964 40 0 FHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000329035920 132372857 /nfs/dbraw/zinc/37/28/57/132372857.db2.gz RGNJINXIJSCUAK-UHFFFAOYSA-N 1 0 367.541 3.871 40 0 FHABRO Cc1nc([C@@H]2CCC[N@H+]2CC(C)C)nc2c1CCCN2Cc1ccccn1 ZINC000072373746 136144745 /nfs/dbraw/zinc/14/47/45/136144745.db2.gz XKGWUOXOLPNKQB-FQEVSTJZSA-N 1 0 365.525 3.926 40 0 FHABRO Cc1cccc(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1C ZINC000019235637 136152362 /nfs/dbraw/zinc/15/23/62/136152362.db2.gz BFSZDOZSQYHCMP-JOCHJYFZSA-N 1 0 367.468 3.779 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000089223546 518815236 /nfs/dbraw/zinc/81/52/36/518815236.db2.gz VNTVJPZTUAGEGX-CYBMUJFWSA-N 1 0 369.303 3.796 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)o1 ZINC000096037100 570472050 /nfs/dbraw/zinc/47/20/50/570472050.db2.gz MZPYTKQPYYAHFW-UHFFFAOYSA-N 1 0 362.477 3.546 40 0 FHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)cs1 ZINC000096040226 570473309 /nfs/dbraw/zinc/47/33/09/570473309.db2.gz YPRXXSKNFOKYLV-UXHICEINSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)o1 ZINC000096047534 570473758 /nfs/dbraw/zinc/47/37/58/570473758.db2.gz WMBBMMOPPDCJAY-OAQYLSRUSA-N 1 0 353.466 3.530 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000096047629 570473795 /nfs/dbraw/zinc/47/37/95/570473795.db2.gz FTYOTOMNKQDXBK-SIKLNZKXSA-N 1 0 368.477 3.549 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccoc3)CC2)N1Cc1cccc(F)c1 ZINC000096047549 570473800 /nfs/dbraw/zinc/47/38/00/570473800.db2.gz PTHDSXXLXSHQPK-NRFANRHFSA-N 1 0 356.441 3.966 40 0 FHABRO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052246 570474225 /nfs/dbraw/zinc/47/42/25/570474225.db2.gz ZXWCARLSCPTRLB-GOSISDBHSA-N 1 0 356.491 3.615 40 0 FHABRO CC(C)C(=O)N[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096079861 570475182 /nfs/dbraw/zinc/47/51/82/570475182.db2.gz RCFUJARZFNYWCR-IBGZPJMESA-N 1 0 368.477 3.910 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)o1 ZINC000096106173 570475520 /nfs/dbraw/zinc/47/55/20/570475520.db2.gz RWUNVCLWXOVVKR-FQEVSTJZSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)o1 ZINC000096106172 570475792 /nfs/dbraw/zinc/47/57/92/570475792.db2.gz RWUNVCLWXOVVKR-HXUWFJFHSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096106914 570475825 /nfs/dbraw/zinc/47/58/25/570475825.db2.gz NNKMDTWITBPKKC-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccsc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096106779 570475847 /nfs/dbraw/zinc/47/58/47/570475847.db2.gz WOTYUTFDFRUPTO-GOSISDBHSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1ccsc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096216026 570479557 /nfs/dbraw/zinc/47/95/57/570479557.db2.gz UTVHOZLPKPQWOA-FQEVSTJZSA-N 1 0 373.522 3.790 40 0 FHABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4ccc(Cl)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261481 570480083 /nfs/dbraw/zinc/48/00/83/570480083.db2.gz IBXBYKJVSRNLNQ-SLYNCCJLSA-N 1 0 371.912 3.591 40 0 FHABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000257317282 570627164 /nfs/dbraw/zinc/62/71/64/570627164.db2.gz VJCPUIAOMGATTF-UHFFFAOYSA-N 1 0 350.462 3.882 40 0 FHABRO CCCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1 ZINC000006517386 570648380 /nfs/dbraw/zinc/64/83/80/570648380.db2.gz DEQKTNILVKTFOE-UHFFFAOYSA-N 1 0 367.493 3.870 40 0 FHABRO C[NH+](C)CCCNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 ZINC000012148698 570723538 /nfs/dbraw/zinc/72/35/38/570723538.db2.gz HECXWMAFAKZRIM-UHFFFAOYSA-N 1 0 366.387 3.526 40 0 FHABRO CCCn1nc(C)c(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012242227 570730823 /nfs/dbraw/zinc/73/08/23/570730823.db2.gz WBJKJTCBYJGMJZ-OAQYLSRUSA-N 1 0 359.489 3.923 40 0 FHABRO COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCCCC2)cc1OC ZINC000012252304 570731458 /nfs/dbraw/zinc/73/14/58/570731458.db2.gz ANNMBUIGIWVHSL-QIDMFYOTSA-N 1 0 358.526 3.790 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1C ZINC000012293492 570732811 /nfs/dbraw/zinc/73/28/11/570732811.db2.gz TVUCETDCRVUAOQ-NHCUHLMSSA-N 1 0 367.489 3.688 40 0 FHABRO Cc1ncc2c(n1)C1(CC[NH+](Cc3cccc(OC(C)C)c3)CC1)OCC2 ZINC000012337918 570737837 /nfs/dbraw/zinc/73/78/37/570737837.db2.gz PPJVFPXJOQHIEG-UHFFFAOYSA-N 1 0 367.493 3.636 40 0 FHABRO CC(C)Oc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000015140057 570834632 /nfs/dbraw/zinc/83/46/32/570834632.db2.gz DCOZPMUNXSUUFZ-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000015140117 570834692 /nfs/dbraw/zinc/83/46/92/570834692.db2.gz OGBXBZMTGXJOQI-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO COc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])Nc3cccc(C)c3C)n2)cc1 ZINC000017074745 570869560 /nfs/dbraw/zinc/86/95/60/570869560.db2.gz LCQBFKLSAAZOAJ-UHFFFAOYSA-N 1 0 363.421 3.521 40 0 FHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058461 570871717 /nfs/dbraw/zinc/87/17/17/570871717.db2.gz OODGUKZXVGZWRP-FCHUYYIVSA-N 1 0 352.453 3.590 40 0 FHABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019014344 570879327 /nfs/dbraw/zinc/87/93/27/570879327.db2.gz XKBHAUROYYDXAC-UMEYKSNOSA-N 1 0 372.472 3.725 40 0 FHABRO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2Cc1ccncc1 ZINC000019017601 570879538 /nfs/dbraw/zinc/87/95/38/570879538.db2.gz ACNZXPFERIXZSX-DNVJHFABSA-N 1 0 363.505 3.841 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000019019743 570879592 /nfs/dbraw/zinc/87/95/92/570879592.db2.gz CTOYQLVRUVAXLO-JOCHJYFZSA-N 1 0 368.452 3.601 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019081976 570879798 /nfs/dbraw/zinc/87/97/98/570879798.db2.gz JZQPUGTZEMYQPR-YLJYHZDGSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120501 570880183 /nfs/dbraw/zinc/88/01/83/570880183.db2.gz HKMQGNJHBULSIX-DKSSEZFCSA-N 1 0 356.466 3.891 40 0 FHABRO Cc1cc(-c2nccs2)nc(C2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000019118678 570880269 /nfs/dbraw/zinc/88/02/69/570880269.db2.gz KQFYLYOASXMIOM-UHFFFAOYSA-N 1 0 351.479 3.683 40 0 FHABRO Cc1ccc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)c(C)c1 ZINC000019132577 570880800 /nfs/dbraw/zinc/88/08/00/570880800.db2.gz DCSZNNAYBJOULZ-QFIPXVFZSA-N 1 0 367.468 3.779 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@H]([C@H]2CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216606 570882354 /nfs/dbraw/zinc/88/23/54/570882354.db2.gz WXDOUYDZPYTWSA-AVRDEDQJSA-N 1 0 368.477 3.610 40 0 FHABRO CSCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc2ccc(C)cc2c1=O ZINC000019219843 570882388 /nfs/dbraw/zinc/88/23/88/570882388.db2.gz UXJIEXJRIZVFQR-ROUUACIJSA-N 1 0 372.534 3.503 40 0 FHABRO Cc1ccc(C(=O)N(C)C2CCC3(CC2)C[NH2+]Cc2ccccc2O3)s1 ZINC000019216808 570882410 /nfs/dbraw/zinc/88/24/10/570882410.db2.gz RZNYXSZAJHENLL-UHFFFAOYSA-N 1 0 370.518 3.992 40 0 FHABRO Cc1cnc2cc(C3CC[NH+](Cc4c[nH]nc4C(C)(C)C)CC3)[nH]c2n1 ZINC000019239387 570883531 /nfs/dbraw/zinc/88/35/31/570883531.db2.gz LJBUIJOYXBWXME-UHFFFAOYSA-N 1 0 352.486 3.667 40 0 FHABRO Clc1cccc(C[N@@H+]2C[C@H]3CCc4nnc(-c5cccnc5)n4[C@H]3C2)c1 ZINC000019293433 570885250 /nfs/dbraw/zinc/88/52/50/570885250.db2.gz YPKYXRZYMFLRLB-AEFFLSMTSA-N 1 0 365.868 3.613 40 0 FHABRO COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019497538 570890319 /nfs/dbraw/zinc/89/03/19/570890319.db2.gz SYFATPZOLSEJKU-GJZGRUSLSA-N 1 0 351.450 3.848 40 0 FHABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)no1 ZINC000019503679 570890634 /nfs/dbraw/zinc/89/06/34/570890634.db2.gz QFXGBGHQXQRGOM-OAHLLOKOSA-N 1 0 361.873 3.847 40 0 FHABRO CCn1nc(C)c(CN2CC[NH+](CC3(c4ccc(C)cc4)CC3)CC2)c1C ZINC000019523832 570891626 /nfs/dbraw/zinc/89/16/26/570891626.db2.gz NGUFSUGBISFULF-UHFFFAOYSA-N 1 0 366.553 3.678 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4scnc4C)o3)C2)c1 ZINC000019562801 570893581 /nfs/dbraw/zinc/89/35/81/570893581.db2.gz BJPZIVURNQPEEZ-OAHLLOKOSA-N 1 0 370.478 3.890 40 0 FHABRO CN(C(=O)CC1CCCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586708 570895344 /nfs/dbraw/zinc/89/53/44/570895344.db2.gz MXWIPVCYZWQDTD-UHFFFAOYSA-N 1 0 356.510 3.889 40 0 FHABRO C[NH+](C)C[C@@H]1CCCN(C(=O)CCn2c3ccccc3c3c2CCCC3)C1 ZINC000019582041 570895413 /nfs/dbraw/zinc/89/54/13/570895413.db2.gz XGVOBPDXHJLEEH-SFHVURJKSA-N 1 0 367.537 3.710 40 0 FHABRO C[NH+](C)CCC1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000019665390 570897966 /nfs/dbraw/zinc/89/79/66/570897966.db2.gz XEGRTNHAQFDQTA-UHFFFAOYSA-N 1 0 357.523 3.543 40 0 FHABRO Cc1nc(-c2ccccc2F)sc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000019714480 570899463 /nfs/dbraw/zinc/89/94/63/570899463.db2.gz CXISEDSMNFMVQO-UHFFFAOYSA-N 1 0 361.486 3.862 40 0 FHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022513032 570945024 /nfs/dbraw/zinc/94/50/24/570945024.db2.gz DIBFEYJBEAVFAJ-QKLQHJQFSA-N 1 0 360.542 3.945 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccccc2C)CC1 ZINC000224526723 570992296 /nfs/dbraw/zinc/99/22/96/570992296.db2.gz GFEJCNSPRYDXKN-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000224535859 570992829 /nfs/dbraw/zinc/99/28/29/570992829.db2.gz GDYBNAJJLPUPHF-UHFFFAOYSA-N 1 0 372.896 3.747 40 0 FHABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)ccc1Cl ZINC000224618206 570994749 /nfs/dbraw/zinc/99/47/49/570994749.db2.gz YCFYKWVBFYCAKK-UHFFFAOYSA-N 1 0 372.896 3.939 40 0 FHABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224619090 570994769 /nfs/dbraw/zinc/99/47/69/570994769.db2.gz ZWZLCGIEPYBWCX-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623153 570995182 /nfs/dbraw/zinc/99/51/82/570995182.db2.gz ZTLPAWLDBAJPJR-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO CC(C)[C@@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[NH+](C)C ZINC000025451486 570996010 /nfs/dbraw/zinc/99/60/10/570996010.db2.gz MWUTXSCWDNVJDP-OAQYLSRUSA-N 1 0 362.477 3.613 40 0 FHABRO Cc1cc(C)c(C)c(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224782217 571000497 /nfs/dbraw/zinc/00/04/97/571000497.db2.gz NOPPMLNOIJFNIG-UHFFFAOYSA-N 1 0 366.505 3.903 40 0 FHABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039761844 571022986 /nfs/dbraw/zinc/02/29/86/571022986.db2.gz DDAHUIAQZZRDFY-INIZCTEOSA-N 1 0 370.468 3.924 40 0 FHABRO Cc1cccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1Cl ZINC000225231697 571023143 /nfs/dbraw/zinc/02/31/43/571023143.db2.gz ZBDBROGPWYGGBB-UHFFFAOYSA-N 1 0 374.941 3.994 40 0 FHABRO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039756234 571024863 /nfs/dbraw/zinc/02/48/63/571024863.db2.gz CHZWNXMLIKDHST-UHFFFAOYSA-N 1 0 372.509 3.946 40 0 FHABRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cc(-c2ccco2)on1 ZINC000028296049 571030992 /nfs/dbraw/zinc/03/09/92/571030992.db2.gz GPKKDTMOHWUDLH-QGZVFWFLSA-N 1 0 351.406 3.502 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306134968 571039021 /nfs/dbraw/zinc/03/90/21/571039021.db2.gz ODAVYHJFNPOGIZ-LJQANCHMSA-N 1 0 359.433 3.764 40 0 FHABRO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306143946 571042929 /nfs/dbraw/zinc/04/29/29/571042929.db2.gz YRKUXILSNJBNQT-UYAOXDASSA-N 1 0 357.450 3.600 40 0 FHABRO CC(C)(Br)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225594307 571047844 /nfs/dbraw/zinc/04/78/44/571047844.db2.gz XVQRWNWTRBOUNV-UHFFFAOYSA-N 1 0 369.303 3.663 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225647817 571052566 /nfs/dbraw/zinc/05/25/66/571052566.db2.gz XLABUFNTSCBZLZ-QGZVFWFLSA-N 1 0 362.514 3.941 40 0 FHABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000030946545 571053263 /nfs/dbraw/zinc/05/32/63/571053263.db2.gz DIMLPBPQESWLEQ-UHFFFAOYSA-N 1 0 366.461 3.957 40 0 FHABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225662430 571053529 /nfs/dbraw/zinc/05/35/29/571053529.db2.gz WDQAWAHBXDEBPP-DYESRHJHSA-N 1 0 362.514 3.941 40 0 FHABRO C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031524736 571055232 /nfs/dbraw/zinc/05/52/32/571055232.db2.gz JNTPLIBSPYANAX-GOSISDBHSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1cccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000032462654 571057809 /nfs/dbraw/zinc/05/78/09/571057809.db2.gz ITBQJBDBKFBRJS-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225723948 571059562 /nfs/dbraw/zinc/05/95/62/571059562.db2.gz LUXFOMYVNOEQHB-OAQYLSRUSA-N 1 0 360.498 3.695 40 0 FHABRO O=C(C[NH2+]CCC1=CCCCC1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000035311557 571076495 /nfs/dbraw/zinc/07/64/95/571076495.db2.gz FQUWQGDAOJXHIF-UHFFFAOYSA-N 1 0 369.509 3.731 40 0 FHABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cn1 ZINC000225931417 571080600 /nfs/dbraw/zinc/08/06/00/571080600.db2.gz RDDILIFYZMTIKW-UHFFFAOYSA-N 1 0 367.493 3.863 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329032831 571107992 /nfs/dbraw/zinc/10/79/92/571107992.db2.gz QQEODEBZAWJQQL-QFBILLFUSA-N 1 0 368.525 3.980 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)n1 ZINC000247874875 571126098 /nfs/dbraw/zinc/12/60/98/571126098.db2.gz NJHPSJZNOXPCIG-IBGZPJMESA-N 1 0 367.493 3.625 40 0 FHABRO O=C1C[C@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101663215 571138891 /nfs/dbraw/zinc/13/88/91/571138891.db2.gz IEWLKAMIBPTEPP-HNNXBMFYSA-N 1 0 367.207 3.554 40 0 FHABRO CCc1c(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)csc1C ZINC000020514427 571143812 /nfs/dbraw/zinc/14/38/12/571143812.db2.gz AFDZWYIZLSTWPF-UHFFFAOYSA-N 1 0 358.507 3.665 40 0 FHABRO c1ccc(C[NH+]2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@@H]3C2)cc1 ZINC000114865826 571144069 /nfs/dbraw/zinc/14/40/69/571144069.db2.gz NIIUQUJQUMJFFK-SFTDATJTSA-N 1 0 356.473 3.712 40 0 FHABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)[N@H+]2Cc2ccccn2)N1 ZINC000257240360 571153414 /nfs/dbraw/zinc/15/34/14/571153414.db2.gz HTCRVURYYBMDDJ-AABGKKOBSA-N 1 0 353.441 3.595 40 0 FHABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccncc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257245196 571153796 /nfs/dbraw/zinc/15/37/96/571153796.db2.gz IOMDDLUATNTLRT-AZUAARDMSA-N 1 0 366.461 3.682 40 0 FHABRO C[NH+](C)Cc1cccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2F)n1 ZINC000257265573 571156083 /nfs/dbraw/zinc/15/60/83/571156083.db2.gz LZFXBUHWBUOTBV-DRUFCSCSSA-N 1 0 353.441 3.659 40 0 FHABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](CC3CCOCC3)C2)s1 ZINC000257300645 571159545 /nfs/dbraw/zinc/15/95/45/571159545.db2.gz RVEFQWBZYQMELU-MRXNPFEDSA-N 1 0 373.526 3.591 40 0 FHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+]2CC2CCOCC2)nc(C)n1 ZINC000257304668 571159851 /nfs/dbraw/zinc/15/98/51/571159851.db2.gz SMQJLRBIGMHHBM-LJQANCHMSA-N 1 0 367.497 3.796 40 0 FHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C(C)(C)Oc1ccc(F)cc1 ZINC000257341959 571163246 /nfs/dbraw/zinc/16/32/46/571163246.db2.gz ZMOOEXZIXAFDKN-YNFBMLRVSA-N 1 0 374.500 3.847 40 0 FHABRO O=C(Cc1ccsc1)N1CCC[C@@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257340342 571163300 /nfs/dbraw/zinc/16/33/00/571163300.db2.gz ZFPHILLXUDJSPN-LJQANCHMSA-N 1 0 355.507 3.645 40 0 FHABRO Cc1ccc([C@H](C)CC[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)o1 ZINC000072339830 571179100 /nfs/dbraw/zinc/17/91/00/571179100.db2.gz HJGUWYQNISKYNZ-CQSZACIVSA-N 1 0 364.449 3.698 40 0 FHABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)n2)c1 ZINC000072350003 571181463 /nfs/dbraw/zinc/18/14/63/571181463.db2.gz ZSEDXYPPIKOCIA-GOSISDBHSA-N 1 0 362.477 3.870 40 0 FHABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358618 571183517 /nfs/dbraw/zinc/18/35/17/571183517.db2.gz GBJJGZLSGLXKLZ-SFHVURJKSA-N 1 0 360.461 3.927 40 0 FHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369889 571185041 /nfs/dbraw/zinc/18/50/41/571185041.db2.gz VXAOGPVVMXTIIZ-QGZVFWFLSA-N 1 0 365.433 3.614 40 0 FHABRO c1ccc(CC[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377579 571186584 /nfs/dbraw/zinc/18/65/84/571186584.db2.gz HZHSHNOTTHKUGX-HXUWFJFHSA-N 1 0 360.465 3.780 40 0 FHABRO Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072383643 571188725 /nfs/dbraw/zinc/18/87/25/571188725.db2.gz IWDWVZJJHIPULB-KRWDZBQOSA-N 1 0 361.449 3.747 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1F ZINC000072390045 571189641 /nfs/dbraw/zinc/18/96/41/571189641.db2.gz LDDJYZZAPUDSRZ-CQSZACIVSA-N 1 0 356.376 3.789 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392820 571190211 /nfs/dbraw/zinc/19/02/11/571190211.db2.gz FLXMYAWRRDUTKN-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO Cc1cccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000257242046 571203934 /nfs/dbraw/zinc/20/39/34/571203934.db2.gz IAVMHKVDDWJUKA-JLMWRMLUSA-N 1 0 351.494 3.555 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 ZINC000306131200 571213937 /nfs/dbraw/zinc/21/39/37/571213937.db2.gz JYMUFVAGKOTXGC-QGZVFWFLSA-N 1 0 367.522 3.771 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)cc1 ZINC000585105377 571223760 /nfs/dbraw/zinc/22/37/60/571223760.db2.gz VOONLGJIBBMYGW-HXUWFJFHSA-N 1 0 359.510 3.883 40 0 FHABRO c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cn1 ZINC000585169382 571237293 /nfs/dbraw/zinc/23/72/93/571237293.db2.gz JCBRASZYTZHKHC-GOSISDBHSA-N 1 0 358.449 3.523 40 0 FHABRO c1c[nH]c(-c2nccnc2C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)n1 ZINC000585182379 571238351 /nfs/dbraw/zinc/23/83/51/571238351.db2.gz AXWDRFZUFNKOIR-UHFFFAOYSA-N 1 0 358.449 3.728 40 0 FHABRO O=C(N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000238943731 571281736 /nfs/dbraw/zinc/28/17/36/571281736.db2.gz WFTRZNFLHXJZFU-NIRMEOIISA-N 1 0 364.533 3.862 40 0 FHABRO O=C(CSCc1cccc(Cl)c1)NCCC[NH+]1CCCCCC1 ZINC000010111101 571302843 /nfs/dbraw/zinc/30/28/43/571302843.db2.gz RMVHRLAABLAQJE-UHFFFAOYSA-N 1 0 354.947 3.956 40 0 FHABRO C[NH2+]C[C@H]1CC[C@H](c2cc(CN(C)Cc3ccccc3OC)n(C)n2)CC1 ZINC000257329545 571321791 /nfs/dbraw/zinc/32/17/91/571321791.db2.gz XKKBWNQHNUYXCZ-IYARVYRRSA-N 1 0 370.541 3.554 40 0 FHABRO FC(F)(F)c1cc(N2CCC[NH2+]CC2)c2cc(Br)ccc2n1 ZINC000002243383 204029675 /nfs/dbraw/zinc/02/96/75/204029675.db2.gz LYMSMOVYSJPGBI-UHFFFAOYSA-N 1 0 374.204 3.816 40 0 FHABRO CCOC(=O)N1CC[NH+](CCCCCOc2ccc(Cl)cc2)CC1 ZINC000004429340 204137849 /nfs/dbraw/zinc/13/78/49/204137849.db2.gz KOJKMCSFNZACSF-UHFFFAOYSA-N 1 0 354.878 3.663 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1cccc(C)c1C)C1CCCCC1 ZINC000006382255 204246925 /nfs/dbraw/zinc/24/69/25/204246925.db2.gz PLNDOSVUFDEAFR-QFIPXVFZSA-N 1 0 361.526 3.956 40 0 FHABRO CCOCCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000008253132 204324186 /nfs/dbraw/zinc/32/41/86/204324186.db2.gz KFZWPDULZQEBFA-UHFFFAOYSA-N 1 0 360.292 3.763 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000019527126 204687268 /nfs/dbraw/zinc/68/72/68/204687268.db2.gz IYYOJVLSGIZSOZ-FQEVSTJZSA-N 1 0 369.509 3.585 40 0 FHABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)c1 ZINC000019564972 204690600 /nfs/dbraw/zinc/69/06/00/204690600.db2.gz HBFASFKXUQPDEY-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO Cc1c(-c2cncn2C[C@@H](C)[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000019654446 204697365 /nfs/dbraw/zinc/69/73/65/204697365.db2.gz JEULDXSWNPFXRC-GOSISDBHSA-N 1 0 363.509 3.978 40 0 FHABRO COC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000038753046 205041494 /nfs/dbraw/zinc/04/14/94/205041494.db2.gz MQMMKZGJTVDXMR-INIZCTEOSA-N 1 0 366.461 3.957 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)C1 ZINC000044916928 205114619 /nfs/dbraw/zinc/11/46/19/205114619.db2.gz MRZKCADAHLSHCG-LJQANCHMSA-N 1 0 365.521 3.785 40 0 FHABRO O=C(CSCc1ccccc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000052399674 205185932 /nfs/dbraw/zinc/18/59/32/205185932.db2.gz HJBVQVXTGBUDBC-UHFFFAOYSA-N 1 0 354.519 3.832 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000089223555 205292091 /nfs/dbraw/zinc/29/20/91/205292091.db2.gz JQFLRYKFNUHUFO-CQSZACIVSA-N 1 0 369.303 3.796 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000089223451 205292739 /nfs/dbraw/zinc/29/27/39/205292739.db2.gz XBLATSAIKIAMQF-HNNXBMFYSA-N 1 0 369.303 3.591 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345954 205513609 /nfs/dbraw/zinc/51/36/09/205513609.db2.gz OEHXYXMMEAGTNM-QGZVFWFLSA-N 1 0 363.440 3.640 40 0 FHABRO Cc1nn2c(nc3c(c2NCCC[NH+](C)C)CCC3)c1-c1cccs1 ZINC000072341772 205514059 /nfs/dbraw/zinc/51/40/59/205514059.db2.gz HVFJXWCRPMNPGT-UHFFFAOYSA-N 1 0 355.511 3.619 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053402 205811396 /nfs/dbraw/zinc/81/13/96/205811396.db2.gz BDWPZOMSVHZGIJ-SFHVURJKSA-N 1 0 368.521 3.856 40 0 FHABRO Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)C(C)C)[C@@H]2Cc2ccccc2)n1 ZINC000096061674 205813464 /nfs/dbraw/zinc/81/34/64/205813464.db2.gz KGHPZGSVIJYEJR-RTWAWAEBSA-N 1 0 351.494 3.556 40 0 FHABRO COC[C@@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)[N@@H+]1C ZINC000096207883 205853383 /nfs/dbraw/zinc/85/33/83/205853383.db2.gz RDGQFFZMGGWFCP-HNNXBMFYSA-N 1 0 358.507 3.617 40 0 FHABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](Cc3cccnc3)C2)o1 ZINC000049169775 206085974 /nfs/dbraw/zinc/08/59/74/206085974.db2.gz MFYOWSCIQVUAMT-INIZCTEOSA-N 1 0 359.433 3.526 40 0 biogenic,in-vitro FHABRO C[NH2+]CCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000008377004 206246327 /nfs/dbraw/zinc/24/63/27/206246327.db2.gz QNSWLZISMVQPBQ-UHFFFAOYSA-N 1 0 363.299 3.727 40 0 FHABRO CCN(CC)c1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 ZINC000008702108 206233713 /nfs/dbraw/zinc/23/37/13/206233713.db2.gz JZZZZCOBGMIGTJ-UHFFFAOYSA-N 1 0 374.286 3.920 40 0 FHABRO COc1cc(C)c(C[NH+]2CCC(O)(c3cccc(C)c3)CC2)cc1OC ZINC000013998295 206308442 /nfs/dbraw/zinc/30/84/42/206308442.db2.gz FEGSBTXRSPSGCY-UHFFFAOYSA-N 1 0 355.478 3.804 40 0 FHABRO CC(C)(C)c1ccc(S(=O)(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000015899790 206317903 /nfs/dbraw/zinc/31/79/03/206317903.db2.gz CFJWZMCEEJWNBI-UHFFFAOYSA-N 1 0 364.555 3.623 40 0 FHABRO CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502110 206325892 /nfs/dbraw/zinc/32/58/92/206325892.db2.gz ITNCOWHNEVHXOF-IBGZPJMESA-N 1 0 360.550 3.580 40 0 FHABRO NC(=O)COc1ccc(Br)cc1C[NH2+]C1CCCCCCC1 ZINC000020873129 206334187 /nfs/dbraw/zinc/33/41/87/206334187.db2.gz CTBRSYBAHFKEIJ-UHFFFAOYSA-N 1 0 369.303 3.516 40 0 FHABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000216199477 206356988 /nfs/dbraw/zinc/35/69/88/206356988.db2.gz KMSXHIJLYUFSCZ-HLIPFELVSA-N 1 0 360.542 3.863 40 0 FHABRO [NH3+]C[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218646871 206372781 /nfs/dbraw/zinc/37/27/81/206372781.db2.gz BRRGQCIVCSWALV-HRCADAONSA-N 1 0 356.274 3.508 40 0 FHABRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000224552894 206461450 /nfs/dbraw/zinc/46/14/50/206461450.db2.gz CEDWAHGGSDNIFK-QGZVFWFLSA-N 1 0 354.469 3.958 40 0 FHABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2Cl)c1 ZINC000257215969 206601265 /nfs/dbraw/zinc/60/12/65/206601265.db2.gz CSMANOXJSTZDKX-UHFFFAOYSA-N 1 0 351.837 3.791 40 0 FHABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328966243 132371925 /nfs/dbraw/zinc/37/19/25/132371925.db2.gz CJUWXBMKOQPKRN-IBGZPJMESA-N 1 0 368.525 3.809 40 0 FHABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329050060 132373062 /nfs/dbraw/zinc/37/30/62/132373062.db2.gz USMZRNDOQUGQHX-UHFFFAOYSA-N 1 0 359.271 3.685 40 0 FHABRO CCCCC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007261315 263349462 /nfs/dbraw/zinc/34/94/62/263349462.db2.gz CXPPZAOOVODXBS-UHFFFAOYSA-N 1 0 359.422 3.800 40 0 FHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020495001 522884771 /nfs/dbraw/zinc/88/47/71/522884771.db2.gz BJKLCQBTCUHONT-SFHVURJKSA-N 1 0 352.906 3.880 40 0 FHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020488633 524066166 /nfs/dbraw/zinc/06/61/66/524066166.db2.gz UUAORFVPEMTLKU-QGZVFWFLSA-N 1 0 352.478 3.857 40 0 FHABRO F[C@@H]1C[N@H+](CC2CC2)C[C@@H]1OCc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000096112253 560060734 /nfs/dbraw/zinc/06/07/34/560060734.db2.gz ANLHVKXHTIGBRS-DOMZBBRYSA-N 1 0 357.351 3.531 40 0 biogenic,in-vitro FHABRO COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+](C)C)C=C3C)[nH]c2n1 ZINC000072320786 560077919 /nfs/dbraw/zinc/07/79/19/560077919.db2.gz ZZEVGBPUUUTQJS-ULQDDVLXSA-N 1 0 356.514 3.925 40 0 biogenic,in-vitro FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000222818170 568567088 /nfs/dbraw/zinc/56/70/88/568567088.db2.gz FQFDGTXDNCGGTA-FQEVSTJZSA-N 1 0 358.526 3.715 40 0 FHABRO O=C(Cc1ccc(Cl)cc1F)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000223571846 568671382 /nfs/dbraw/zinc/67/13/82/568671382.db2.gz ZBBSXUHJUAZEJK-UHFFFAOYSA-N 1 0 360.860 3.586 40 0 FHABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047285 570473601 /nfs/dbraw/zinc/47/36/01/570473601.db2.gz DVRQYMVCPLFQLB-UHFFFAOYSA-N 1 0 361.536 3.723 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)o1 ZINC000096047535 570473655 /nfs/dbraw/zinc/47/36/55/570473655.db2.gz WMBBMMOPPDCJAY-NRFANRHFSA-N 1 0 353.466 3.530 40 0 FHABRO COc1ccc(C[N@@H+]2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC000096058703 570474112 /nfs/dbraw/zinc/47/41/12/570474112.db2.gz PSYANPJEBABOPO-UHFFFAOYSA-N 1 0 363.436 3.892 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096051133 570474208 /nfs/dbraw/zinc/47/42/08/570474208.db2.gz IAVKNZPIBOESGJ-IBGZPJMESA-N 1 0 361.411 3.958 40 0 FHABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053544 570474257 /nfs/dbraw/zinc/47/42/57/570474257.db2.gz NVCSQIJFKRRYOO-LJQANCHMSA-N 1 0 370.537 3.960 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053253 570474309 /nfs/dbraw/zinc/47/43/09/570474309.db2.gz PMGJYDFPGRVGJS-KRWDZBQOSA-N 1 0 368.477 3.625 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053146 570474334 /nfs/dbraw/zinc/47/43/34/570474334.db2.gz XVQCVGXTRCBQSH-SFHVURJKSA-N 1 0 368.477 3.659 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)NC1CC1 ZINC000096052967 570474340 /nfs/dbraw/zinc/47/43/40/570474340.db2.gz WWACETQFRBWYTC-QGZVFWFLSA-N 1 0 364.489 3.969 40 0 FHABRO Cc1ccc(C[N@@H+]2C[C@@H](OCc3csc(C)n3)[C@H]3OCCC[C@H]32)s1 ZINC000096058122 570474357 /nfs/dbraw/zinc/47/43/57/570474357.db2.gz RMPZXJBACPXKQU-KURKYZTESA-N 1 0 364.536 3.770 40 0 FHABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051155 570474656 /nfs/dbraw/zinc/47/46/56/570474656.db2.gz MDDAPVNHNAKFCS-HXUWFJFHSA-N 1 0 373.447 3.828 40 0 FHABRO c1csc(N2CCC3(CC[C@H]([NH+]4CCOCC4)c4ccccc43)CC2)n1 ZINC000096079677 570474975 /nfs/dbraw/zinc/47/49/75/570474975.db2.gz PHJIDPLJSCCXJA-IBGZPJMESA-N 1 0 369.534 3.848 40 0 FHABRO Cc1cccc(COC[C@@]23CCCO[C@@H]2CC[N@H+](Cc2ccoc2)C3)n1 ZINC000096065126 570475070 /nfs/dbraw/zinc/47/50/70/570475070.db2.gz KLVAJBFEZJYYIM-RTWAWAEBSA-N 1 0 356.466 3.571 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)cc1 ZINC000096061441 570475096 /nfs/dbraw/zinc/47/50/96/570475096.db2.gz SRDFQXOZNDLEPY-NRFANRHFSA-N 1 0 364.489 3.676 40 0 FHABRO Cc1oncc1C(=O)N1CCC2(CC[C@H]([NH+](C)C)c3ccccc32)CC1 ZINC000096079638 570475314 /nfs/dbraw/zinc/47/53/14/570475314.db2.gz LKLZPRGSPFDNAX-IBGZPJMESA-N 1 0 353.466 3.554 40 0 FHABRO Cc1nc(CO[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccc(C)c4)C3)C2)cs1 ZINC000096107628 570475688 /nfs/dbraw/zinc/47/56/88/570475688.db2.gz WKLVCUUIDWEAKT-PMACEKPBSA-N 1 0 358.507 3.710 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC000096100311 570475893 /nfs/dbraw/zinc/47/58/93/570475893.db2.gz ADOMXWOMWOQKJY-QHCPKHFHSA-N 1 0 364.489 3.842 40 0 FHABRO Cc1cccc(COC[C@H]2CC3(CO2)CC[NH+](Cc2ccoc2)CC3)n1 ZINC000096207278 570479131 /nfs/dbraw/zinc/47/91/31/570479131.db2.gz QMUHTIIVIZYEDA-HXUWFJFHSA-N 1 0 356.466 3.571 40 0 FHABRO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](Cc3ccccc3)C2)C1 ZINC000096202436 570479161 /nfs/dbraw/zinc/47/91/61/570479161.db2.gz HKRVEZNZLIMOAS-UHFFFAOYSA-N 1 0 354.881 3.617 40 0 FHABRO Cc1cccc(COC[C@@H]2CC3(CO2)CC[NH+](Cc2ccco2)CC3)n1 ZINC000096207296 570479186 /nfs/dbraw/zinc/47/91/86/570479186.db2.gz XCCLDRNSRLHJJW-FQEVSTJZSA-N 1 0 356.466 3.571 40 0 FHABRO O=C(N[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccco1 ZINC000096242812 570480014 /nfs/dbraw/zinc/48/00/14/570480014.db2.gz VOBIOMDVNOVJMK-SFHVURJKSA-N 1 0 366.461 3.778 40 0 FHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585284951 570494235 /nfs/dbraw/zinc/49/42/35/570494235.db2.gz BDJMGZJZTDKMJL-WOIUINJBSA-N 1 0 361.526 3.734 40 0 FHABRO FC(F)(F)c1nc(-c2ccc([C@@H]3CCC[N@H+](CC4CC4)C3)nc2)no1 ZINC000585289091 570495105 /nfs/dbraw/zinc/49/51/05/570495105.db2.gz DLPBLBHCTIYDCY-CYBMUJFWSA-N 1 0 352.360 3.740 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)ccc(C)c1C ZINC000001710958 570505107 /nfs/dbraw/zinc/50/51/07/570505107.db2.gz HGBHTCJJGOMTMZ-QHCPKHFHSA-N 1 0 369.505 3.733 40 0 FHABRO CCOc1ccccc1C[N@@H+]1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000012119118 570720070 /nfs/dbraw/zinc/72/00/70/570720070.db2.gz JNWQBDJYDCYTPV-KRWDZBQOSA-N 1 0 352.434 3.830 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC[C@@H](C)c4ccccc4)CC3)cc(N)n2n1 ZINC000012121562 570720831 /nfs/dbraw/zinc/72/08/31/570720831.db2.gz XCOBFKSDJJXMEF-MRXNPFEDSA-N 1 0 363.509 3.993 40 0 FHABRO CCn1c(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cnc1SC ZINC000012143574 570721508 /nfs/dbraw/zinc/72/15/08/570721508.db2.gz KPIRZMSFROSHOF-IBGZPJMESA-N 1 0 363.502 3.638 40 0 FHABRO O=C1NCCCC12CC[NH+](Cc1cccc(-c3cccc(F)c3)c1)CC2 ZINC000012227970 570729834 /nfs/dbraw/zinc/72/98/34/570729834.db2.gz WALQFHBTIAZNNI-UHFFFAOYSA-N 1 0 352.453 3.985 40 0 FHABRO CCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cn1 ZINC000012242180 570730807 /nfs/dbraw/zinc/73/08/07/570730807.db2.gz FINSJTIXVISNCP-PMSBKCLSSA-N 1 0 355.457 3.583 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293462 570732837 /nfs/dbraw/zinc/73/28/37/570732837.db2.gz GHBIVWOYBSZXEM-VQTJNVASSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012329253 570737338 /nfs/dbraw/zinc/73/73/38/570737338.db2.gz DTQALJQSFYPEBS-SFTDATJTSA-N 1 0 367.489 3.688 40 0 FHABRO O=C(NCCSCc1ccccc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010369111 570835319 /nfs/dbraw/zinc/83/53/19/570835319.db2.gz FYDWVONMDGUNNW-UHFFFAOYSA-N 1 0 354.519 3.946 40 0 FHABRO CCOCc1cc(C[N@@H+]2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)ccc1OC ZINC000019712325 570858349 /nfs/dbraw/zinc/85/83/49/570858349.db2.gz SIBXNRUOBVIYGU-LEWJYISDSA-N 1 0 374.525 3.597 40 0 FHABRO CC[NH+](CC)CCCNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000016740419 570861364 /nfs/dbraw/zinc/86/13/64/570861364.db2.gz NEXJFIAQGXZKFC-UHFFFAOYSA-N 1 0 362.477 3.759 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019082089 570879924 /nfs/dbraw/zinc/87/99/24/570879924.db2.gz HAFKROXHWAGUBR-HXUWFJFHSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCCC2)cc1-n1cccn1 ZINC000019214751 570881831 /nfs/dbraw/zinc/88/18/31/570881831.db2.gz BVFGXZZURKWEAL-FQEVSTJZSA-N 1 0 366.509 3.661 40 0 FHABRO Cc1cc(C)c(NC(=O)CC[NH+]2CCN(Cc3ccccc3)CC2)c(C)c1 ZINC000019419624 570888641 /nfs/dbraw/zinc/88/86/41/570888641.db2.gz CMKXBMUUTBVFEW-UHFFFAOYSA-N 1 0 365.521 3.758 40 0 FHABRO COCc1ccc(C(=O)N2CCC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)cc1 ZINC000019570249 570894204 /nfs/dbraw/zinc/89/42/04/570894204.db2.gz GXTBOFHPKCHFNH-IBGZPJMESA-N 1 0 367.493 3.622 40 0 FHABRO COc1cccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)c1 ZINC000019564967 570894271 /nfs/dbraw/zinc/89/42/71/570894271.db2.gz SOLKZHWVIOZXCI-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO Cc1noc(C)c1C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019580163 570894489 /nfs/dbraw/zinc/89/44/89/570894489.db2.gz MVTXLGBPQTZIAX-ZVDOUQERSA-N 1 0 367.493 3.774 40 0 FHABRO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000019658654 570896859 /nfs/dbraw/zinc/89/68/59/570896859.db2.gz PASZRYHNDAGLNI-KRWDZBQOSA-N 1 0 361.486 3.764 40 0 FHABRO Cc1cc(C)c2nc(C)c(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2c1 ZINC000019665717 570897834 /nfs/dbraw/zinc/89/78/34/570897834.db2.gz HNWDDAPWLFGIRF-UHFFFAOYSA-N 1 0 353.510 3.964 40 0 FHABRO COc1cc2c(cc1-c1cncn1C[C@H](C)[NH+]1CCCCC1)OCCCO2 ZINC000019720017 570900717 /nfs/dbraw/zinc/90/07/17/570900717.db2.gz WJVHKBDLQCXSNP-INIZCTEOSA-N 1 0 371.481 3.594 40 0 FHABRO COc1cc2ccccc2cc1C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020460144 570917276 /nfs/dbraw/zinc/91/72/76/570917276.db2.gz NCXURNMKMGPOJD-CALCHBBNSA-N 1 0 354.494 3.946 40 0 FHABRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189387 570972582 /nfs/dbraw/zinc/97/25/82/570972582.db2.gz SJCBNGQHLMETAM-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189775 570972746 /nfs/dbraw/zinc/97/27/46/570972746.db2.gz YBBFLZMUJAEHFK-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)CC1 ZINC000224332276 570985292 /nfs/dbraw/zinc/98/52/92/570985292.db2.gz VLNGGDFEECTLIN-UHFFFAOYSA-N 1 0 370.468 3.866 40 0 FHABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000224529738 570992378 /nfs/dbraw/zinc/99/23/78/570992378.db2.gz WAXAITXTBNCCDS-UHFFFAOYSA-N 1 0 352.478 3.992 40 0 FHABRO CCc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623415 570995138 /nfs/dbraw/zinc/99/51/38/570995138.db2.gz URUSGOUVUOIWNL-GOSISDBHSA-N 1 0 366.505 3.929 40 0 FHABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224626939 570995555 /nfs/dbraw/zinc/99/55/55/570995555.db2.gz YVRIBTFTGGBLFA-HXUWFJFHSA-N 1 0 370.468 3.895 40 0 FHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Cl ZINC000224637898 570995624 /nfs/dbraw/zinc/99/56/24/570995624.db2.gz NJGCXZXHISEUDH-UHFFFAOYSA-N 1 0 358.869 3.874 40 0 FHABRO Cc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c(Cl)c1 ZINC000225215917 571022384 /nfs/dbraw/zinc/02/23/84/571022384.db2.gz KRQGZEGHYHCQGF-UHFFFAOYSA-N 1 0 369.987 3.858 40 0 FHABRO O=C(NC12CC3CC(CC(C3)C1)C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039773317 571024091 /nfs/dbraw/zinc/02/40/91/571024091.db2.gz SSZQZRDRPVIALD-UHFFFAOYSA-N 1 0 352.522 3.984 40 0 FHABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039758238 571026160 /nfs/dbraw/zinc/02/61/60/571026160.db2.gz CZJYGRWAOIZHID-UHFFFAOYSA-N 1 0 369.440 3.635 40 0 FHABRO Cc1nc2c(n1C(C)C)CN(C(=O)C1CC1)CC21CC[NH+](CC(C)C)CC1 ZINC000306135829 571039617 /nfs/dbraw/zinc/03/96/17/571039617.db2.gz PCDJNZMFMQPPPD-UHFFFAOYSA-N 1 0 372.557 3.514 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](CCc3ccccc3)C[C@H]2N1Cc1ccccc1 ZINC000306137652 571040345 /nfs/dbraw/zinc/04/03/45/571040345.db2.gz RCKKTKNZQWLFJP-XZOQPEGZSA-N 1 0 371.484 3.612 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 ZINC000306137651 571040491 /nfs/dbraw/zinc/04/04/91/571040491.db2.gz RCKKTKNZQWLFJP-PKTZIBPZSA-N 1 0 371.484 3.612 40 0 FHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225650299 571052711 /nfs/dbraw/zinc/05/27/11/571052711.db2.gz NSULOFLYIZPGNO-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CCc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462268 571057699 /nfs/dbraw/zinc/05/76/99/571057699.db2.gz DERSZFYLVBPNNV-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1Cl ZINC000225736215 571060822 /nfs/dbraw/zinc/06/08/22/571060822.db2.gz OSYKRLXWTWRYEG-CYBMUJFWSA-N 1 0 355.935 3.757 40 0 FHABRO N[C@H](c1ccc(Br)cc1)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000034256740 571068494 /nfs/dbraw/zinc/06/84/94/571068494.db2.gz XURRKKYAGFWNPT-ZIAGYGMSSA-N 1 0 370.088 3.911 40 0 FHABRO O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000059596906 571090704 /nfs/dbraw/zinc/09/07/04/571090704.db2.gz AGVPDHOXCYOYRT-UHFFFAOYSA-N 1 0 351.446 3.943 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4nccs4)CC[C@@H]32)s1 ZINC000248106114 571127931 /nfs/dbraw/zinc/12/79/31/571127931.db2.gz PFSNEYAEYKKSAY-QILLFSRXSA-N 1 0 364.536 3.709 40 0 FHABRO c1ccc(C[NH+]2C[C@@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000114865829 571144218 /nfs/dbraw/zinc/14/42/18/571144218.db2.gz NIIUQUJQUMJFFK-NHCUHLMSSA-N 1 0 356.473 3.712 40 0 FHABRO Cc1cccc(C[N@@H+]2[C@H](c3ccccc3F)C[C@]3(C)NC(=O)CCC[C@H]23)n1 ZINC000257205587 571149844 /nfs/dbraw/zinc/14/98/44/571149844.db2.gz AZTPPIUMYDMTOR-ONTIZHBOSA-N 1 0 367.468 3.904 40 0 FHABRO C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccnc(Cc2ccccc2)c1 ZINC000257241382 571153539 /nfs/dbraw/zinc/15/35/39/571153539.db2.gz HXWKMPJBIHDFKJ-GMAHTHKFSA-N 1 0 363.505 3.761 40 0 FHABRO COCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257250301 571154096 /nfs/dbraw/zinc/15/40/96/571154096.db2.gz JLYYWZSKLZDBKK-OAHLLOKOSA-N 1 0 357.429 3.625 40 0 FHABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2cccc(Cl)c2)c1 ZINC000257267822 571156151 /nfs/dbraw/zinc/15/61/51/571156151.db2.gz MIXFNHNZMFUWCD-UHFFFAOYSA-N 1 0 351.837 3.791 40 0 FHABRO C[C@]12C[C@@H](c3ccccc3)[N@H+](Cc3ccc(O)cc3)[C@H]1CCCC(=O)N2 ZINC000257303390 571159863 /nfs/dbraw/zinc/15/98/63/571159863.db2.gz SHAFFUJAKJUEJH-ONTIZHBOSA-N 1 0 350.462 3.767 40 0 FHABRO NC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000257304444 571159876 /nfs/dbraw/zinc/15/98/76/571159876.db2.gz SLQWLHMAQHVEDQ-UHFFFAOYSA-N 1 0 369.465 3.914 40 0 FHABRO C[N@H+](C[C@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257307136 571160141 /nfs/dbraw/zinc/16/01/41/571160141.db2.gz SXIOYFKOWDAKET-LYGNXSNRSA-N 1 0 354.494 3.778 40 0 FHABRO CCNc1cc([C@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)nc(C)n1 ZINC000257309491 571160421 /nfs/dbraw/zinc/16/04/21/571160421.db2.gz UBDPWJQNBHPRMR-LJQANCHMSA-N 1 0 350.466 3.830 40 0 FHABRO CCOc1ccc([N+]2=C3CCCCN3[C@@](O)(c3ccccc3C)C2)cc1 ZINC000026441486 571162783 /nfs/dbraw/zinc/16/27/83/571162783.db2.gz WVHGBNZUNVCUKH-QFIPXVFZSA-N 1 0 351.470 3.654 40 0 FHABRO Cc1nc(Nc2nccs2)cc([C@@H]2CCCC[N@@H+]2CC2CCOCC2)n1 ZINC000257334931 571162918 /nfs/dbraw/zinc/16/29/18/571162918.db2.gz YHXKEEYKPIULHQ-KRWDZBQOSA-N 1 0 373.526 3.939 40 0 FHABRO CC[N@H+](C)[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(C1)CCCCC2 ZINC000019704924 571172309 /nfs/dbraw/zinc/17/23/09/571172309.db2.gz ZQUXULVJBUAHBK-SFHVURJKSA-N 1 0 353.510 3.966 40 0 FHABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349531 571181092 /nfs/dbraw/zinc/18/10/92/571181092.db2.gz PMOJHVBQRVNGJQ-KRWDZBQOSA-N 1 0 371.912 3.593 40 0 FHABRO Cc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350648 571182107 /nfs/dbraw/zinc/18/21/07/571182107.db2.gz DBUNONFUUDPDFZ-HXUWFJFHSA-N 1 0 361.493 3.783 40 0 FHABRO O=C(CC1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355183 571182250 /nfs/dbraw/zinc/18/22/50/571182250.db2.gz JOTQBHNCVRSSGB-HXUWFJFHSA-N 1 0 369.553 3.907 40 0 FHABRO COc1cccc(-c2cncc(C3CC[NH+](Cc4cccnc4)CC3)n2)c1 ZINC000072359404 571184148 /nfs/dbraw/zinc/18/41/48/571184148.db2.gz VAQYWCPOUQAYMJ-UHFFFAOYSA-N 1 0 360.461 3.927 40 0 FHABRO Cc1nn(C)c(C)c1C[NH+]1CCC(c2cc3ccccc3c(=O)[nH]2)CC1 ZINC000072360989 571184486 /nfs/dbraw/zinc/18/44/86/571184486.db2.gz SNRIFBJHXQCSAA-UHFFFAOYSA-N 1 0 350.466 3.670 40 0 FHABRO Fc1ccccc1Oc1nccnc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072362850 571184585 /nfs/dbraw/zinc/18/45/85/571184585.db2.gz RPLBQBYSCQGUDZ-OAHLLOKOSA-N 1 0 357.429 3.766 40 0 FHABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377639 571186693 /nfs/dbraw/zinc/18/66/93/571186693.db2.gz WKJSWGXEDHLMGG-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 ZINC000072389947 571189244 /nfs/dbraw/zinc/18/92/44/571189244.db2.gz OQTDWUVSQSGBCP-KRWDZBQOSA-N 1 0 350.422 3.520 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccsc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392707 571190395 /nfs/dbraw/zinc/19/03/95/571190395.db2.gz LGCJWBQUZZFJQG-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C ZINC000257257912 571204565 /nfs/dbraw/zinc/20/45/65/571204565.db2.gz KRPCGJGUTDFNKL-GUDVDZBRSA-N 1 0 372.557 3.570 40 0 FHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123494 571212920 /nfs/dbraw/zinc/21/29/20/571212920.db2.gz AOWKTXYAYJEAJL-LJQANCHMSA-N 1 0 353.491 3.739 40 0 FHABRO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103151 571223461 /nfs/dbraw/zinc/22/34/61/571223461.db2.gz DOKSTYXWDQIQNN-PZJWPPBQSA-N 1 0 370.537 3.738 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)cs1 ZINC000585105493 571223788 /nfs/dbraw/zinc/22/37/88/571223788.db2.gz XWLNXCMUXLROPT-GOSISDBHSA-N 1 0 358.507 3.983 40 0 FHABRO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4cncn4C)C3)ccn2)n1 ZINC000585182507 571238044 /nfs/dbraw/zinc/23/80/44/571238044.db2.gz QONLNQAFBPFHII-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO Nc1nc2nc(C3CC[NH+](Cc4c[nH]c5ccccc45)CC3)ccc2s1 ZINC000585182418 571238187 /nfs/dbraw/zinc/23/81/87/571238187.db2.gz PQLMUPHOCYTGES-UHFFFAOYSA-N 1 0 363.490 3.965 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000083264772 571278073 /nfs/dbraw/zinc/27/80/73/571278073.db2.gz YVAWAKKBNUBKIK-CQSZACIVSA-N 1 0 369.303 3.938 40 0 FHABRO CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000248084662 571291086 /nfs/dbraw/zinc/29/10/86/571291086.db2.gz KNBCWMOYTUBDJR-DSKINZAPSA-N 1 0 369.534 3.627 40 0 FHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063106 571302601 /nfs/dbraw/zinc/30/26/01/571302601.db2.gz NDRYTVBYVYTYAU-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000012291629 571303409 /nfs/dbraw/zinc/30/34/09/571303409.db2.gz DWGDIURVIOMZOG-HTAPYJJXSA-N 1 0 370.537 3.921 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 ZINC000019704320 571304442 /nfs/dbraw/zinc/30/44/42/571304442.db2.gz VJXOYXDQFYSJDQ-AWEZNQCLSA-N 1 0 372.469 3.882 40 0 FHABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000038783556 571306148 /nfs/dbraw/zinc/30/61/48/571306148.db2.gz SABPNMJUZZHYGV-BQFCYCMXSA-N 1 0 366.933 3.982 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047596 571306636 /nfs/dbraw/zinc/30/66/36/571306636.db2.gz QQTZKGMAIOOPOE-FPOVZHCZSA-N 1 0 356.441 3.680 40 0 FHABRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1cc(OC)c(OC)c(OC)c1 ZINC000020459090 571329571 /nfs/dbraw/zinc/32/95/71/571329571.db2.gz WIYBJWNXYVNYRM-FQEVSTJZSA-N 1 0 366.461 3.991 40 0 FHABRO O=C1C[C@@H]([NH2+]Cc2ccc(F)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000020469941 571329689 /nfs/dbraw/zinc/32/96/89/571329689.db2.gz IEWLKAMIBPTEPP-OAHLLOKOSA-N 1 0 367.207 3.554 40 0 FHABRO COc1cccc([C@@H](O)C2CC[NH+](CCc3ccc(F)cc3)CC2)c1OC ZINC000001851117 204020498 /nfs/dbraw/zinc/02/04/98/204020498.db2.gz HXTGXYRHXAGCFP-NRFANRHFSA-N 1 0 373.468 3.831 40 0 in-vivo FHABRO CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694550 204052346 /nfs/dbraw/zinc/05/23/46/204052346.db2.gz VLWDXHLABKTLOC-WMZOPIPTSA-N 1 0 363.542 3.954 40 0 FHABRO C[NH+](C)CCN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000004705798 204156290 /nfs/dbraw/zinc/15/62/90/204156290.db2.gz TZYDTPVLMWSHME-NJZGOQBBSA-N 1 0 374.569 3.658 40 0 in-vitro FHABRO CC(C)(CCc1ccccc1)[NH2+]C[C@H](O)c1ccc2c(c1)CCC(=O)N2 ZINC000005439974 204208490 /nfs/dbraw/zinc/20/84/90/204208490.db2.gz YYUZPBGIBVJYSI-FQEVSTJZSA-N 1 0 352.478 3.606 40 0 in-man FHABRO CCN1c2ccccc2C(=O)N(CC[NH+](CC)CC)c2ccccc2C1=O ZINC000005471951 204211403 /nfs/dbraw/zinc/21/14/03/204211403.db2.gz XJDADVWJNHCBND-UHFFFAOYSA-N 1 0 365.477 3.655 40 0 FHABRO CC(C)(C)[C@@H]1CCc2onc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2C1 ZINC000035316575 204239886 /nfs/dbraw/zinc/23/98/86/204239886.db2.gz IDUYJZPVNQTSQJ-OAHLLOKOSA-N 1 0 361.530 3.820 40 0 FHABRO Cc1ccccc1OCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850055 204309477 /nfs/dbraw/zinc/30/94/77/204309477.db2.gz SLGCCVPJKIBFMS-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO CC1(C)[C@H](Cc2cc(C[NH+]3CCCCC3)on2)C[C@@H]1NC(=O)c1ccco1 ZINC000067890114 204314725 /nfs/dbraw/zinc/31/47/25/204314725.db2.gz XDJABYANPCJACA-BEFAXECRSA-N 1 0 371.481 3.641 40 0 biogenic,in-vitro FHABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008337062 204327526 /nfs/dbraw/zinc/32/75/26/204327526.db2.gz RPCOOEGDCSMHBJ-MRXNPFEDSA-N 1 0 367.848 3.927 40 0 FHABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000008497905 204332638 /nfs/dbraw/zinc/33/26/38/204332638.db2.gz USVHUUKTZAFCRJ-LBPRGKRZSA-N 1 0 353.821 3.537 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC ZINC000019527218 204687111 /nfs/dbraw/zinc/68/71/11/204687111.db2.gz PFOCQSACHCROIP-FQEVSTJZSA-N 1 0 369.509 3.585 40 0 FHABRO O=C(COc1ccccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462198 204928874 /nfs/dbraw/zinc/92/88/74/204928874.db2.gz SCKJDUCDDXREDL-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000030556330 204910539 /nfs/dbraw/zinc/91/05/39/204910539.db2.gz COLSYVUVBMNXPO-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000038772848 205043663 /nfs/dbraw/zinc/04/36/63/205043663.db2.gz KMSXHIJLYUFSCZ-FUHIMQAGSA-N 1 0 360.542 3.863 40 0 FHABRO Cc1cc(C)c(C)c(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872483 205113020 /nfs/dbraw/zinc/11/30/20/205113020.db2.gz LTVGEZRWSXXDSK-UHFFFAOYSA-N 1 0 366.505 3.903 40 0 FHABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873156 205113693 /nfs/dbraw/zinc/11/36/93/205113693.db2.gz DONCPNSYNUILQY-FQEVSTJZSA-N 1 0 370.468 3.895 40 0 FHABRO Fc1ccccc1Oc1nccnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000072362865 205520705 /nfs/dbraw/zinc/52/07/05/205520705.db2.gz LMXSRDWSKNTZHQ-UHFFFAOYSA-N 1 0 357.429 3.766 40 0 FHABRO CC(C)n1c(C(=O)NCC[NH+]2CCCC2)cc2c1c1ccccc1n2C ZINC000096146281 205834078 /nfs/dbraw/zinc/83/40/78/205834078.db2.gz UWYCGHJUMLSTCR-UHFFFAOYSA-N 1 0 352.482 3.540 40 0 FHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000108533951 206035330 /nfs/dbraw/zinc/03/53/30/206035330.db2.gz JSRXKNRKPKDAGD-IEZWGBDMSA-N 1 0 352.469 3.749 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)cc1C ZINC000108535658 206034243 /nfs/dbraw/zinc/03/42/43/206034243.db2.gz BEHRMKSGQJKHDC-HXUWFJFHSA-N 1 0 366.509 3.719 40 0 FHABRO COc1cccc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)c1 ZINC000240745660 206117534 /nfs/dbraw/zinc/11/75/34/206117534.db2.gz ARKQUDZPPVJWQY-UHFFFAOYSA-N 1 0 363.465 3.869 40 0 FHABRO CC(C)Oc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224627991 206463027 /nfs/dbraw/zinc/46/30/27/206463027.db2.gz XOTZYIRWPUJEJM-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225723495 206495792 /nfs/dbraw/zinc/49/57/92/206495792.db2.gz MFRTUJJWHVWCIW-VGSWGCGISA-N 1 0 374.525 3.941 40 0 FHABRO CN(CCc1ccccn1)C(=O)c1ncccc1-c1cccc(C[NH+](C)C)c1 ZINC000257281116 206614828 /nfs/dbraw/zinc/61/48/28/206614828.db2.gz ONRUWWZLZJFKKL-UHFFFAOYSA-N 1 0 374.488 3.520 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000036741247 132940235 /nfs/dbraw/zinc/94/02/35/132940235.db2.gz ZPEYWJQWUCUFET-JXFKEZNVSA-N 1 0 358.526 3.777 40 0 FHABRO O[C@H](c1ccccn1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340683 136144531 /nfs/dbraw/zinc/14/45/31/136144531.db2.gz DJCZMTGTJWRGMA-NRFANRHFSA-N 1 0 365.502 3.547 40 0 FHABRO CCOC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039754536 263399599 /nfs/dbraw/zinc/39/95/99/263399599.db2.gz OVGVYGKUGWJIOW-UHFFFAOYSA-N 1 0 366.461 3.714 40 0 FHABRO COc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020456991 524482055 /nfs/dbraw/zinc/48/20/55/524482055.db2.gz SYHJOSMLLOPLMK-KRWDZBQOSA-N 1 0 352.478 3.857 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CN(C4CCCCC4)CCN3C(C)(C)C2)cc1 ZINC000253407374 560040257 /nfs/dbraw/zinc/04/02/57/560040257.db2.gz WDVMDMCFBZCFTL-OAQYLSRUSA-N 1 0 371.569 3.608 40 0 biogenic,in-vitro FHABRO O[C@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000025217797 568535715 /nfs/dbraw/zinc/53/57/15/568535715.db2.gz OLYOSAMUPWLZNO-GOSISDBHSA-N 1 0 368.374 3.700 40 0 FHABRO Cc1ccc(CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000223142033 568616572 /nfs/dbraw/zinc/61/65/72/568616572.db2.gz XKCYCQYPVSJTKJ-UHFFFAOYSA-N 1 0 350.506 3.801 40 0 FHABRO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223685523 568700634 /nfs/dbraw/zinc/70/06/34/568700634.db2.gz IOEUYYKIXAJZKC-UHFFFAOYSA-N 1 0 364.530 3.830 40 0 FHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)cs1 ZINC000096040174 570473045 /nfs/dbraw/zinc/47/30/45/570473045.db2.gz ZUGYZQHBLMXGKS-UXHICEINSA-N 1 0 358.507 3.731 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3nccs3)CC2)c2ccccc21 ZINC000096079469 570475056 /nfs/dbraw/zinc/47/50/56/570475056.db2.gz VSPBOGVYHJWTCY-MRXNPFEDSA-N 1 0 369.534 3.643 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096106773 570475913 /nfs/dbraw/zinc/47/59/13/570475913.db2.gz KXAXAPVMMGRVHO-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1cccc(COC[C@H]2CC3(CO2)CC[NH+](Cc2ccco2)CC3)n1 ZINC000096207297 570479046 /nfs/dbraw/zinc/47/90/46/570479046.db2.gz XCCLDRNSRLHJJW-HXUWFJFHSA-N 1 0 356.466 3.571 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096218011 570479630 /nfs/dbraw/zinc/47/96/30/570479630.db2.gz FEGQYWCLZVGNFL-HXUWFJFHSA-N 1 0 355.507 3.690 40 0 FHABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000096625625 570481814 /nfs/dbraw/zinc/48/18/14/570481814.db2.gz DMCZSBXWMPDUCP-UHFFFAOYSA-N 1 0 358.432 3.536 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2F)[C@@H]1Cc1cccc(C)c1 ZINC000585287004 570494656 /nfs/dbraw/zinc/49/46/56/570494656.db2.gz ZGWIEWKLCJDSHJ-SFTDATJTSA-N 1 0 372.459 3.985 40 0 FHABRO COc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccccc2C)[C@@H]1O ZINC000585288990 570495121 /nfs/dbraw/zinc/49/51/21/570495121.db2.gz MBPFOODCMIKUQH-VLCRHTCISA-N 1 0 355.478 3.796 40 0 FHABRO c1ccc(-c2nc3sc4c(c3c(N3CC[NH2+]CC3)n2)CCCC4)cc1 ZINC000013998061 570502296 /nfs/dbraw/zinc/50/22/96/570502296.db2.gz KBOHHPDLTRMPFU-UHFFFAOYSA-N 1 0 350.491 3.647 40 0 FHABRO Cc1ccc(-c2nc3sc4c(c3c(N3CC[NH2+]CC3)n2)CCCC4)cc1 ZINC000013998069 570502324 /nfs/dbraw/zinc/50/23/24/570502324.db2.gz LLTHKDXKZPFSGL-UHFFFAOYSA-N 1 0 364.518 3.955 40 0 FHABRO COC(=O)C(=O)c1c2ccccc2[nH]c1-c1ccc[n+](Cc2ccccc2)c1 ZINC000001708639 570505283 /nfs/dbraw/zinc/50/52/83/570505283.db2.gz HSOJUPKJXTTXMF-UHFFFAOYSA-O 1 0 371.416 3.526 40 0 FHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072369856 570546526 /nfs/dbraw/zinc/54/65/26/570546526.db2.gz PDKLILMNCBFZKF-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO OC1(COc2cccc(Cl)c2)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257243888 570627239 /nfs/dbraw/zinc/62/72/39/570627239.db2.gz IJABEDWGSQJSCT-UHFFFAOYSA-N 1 0 371.868 3.622 40 0 FHABRO CCOc1cc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)ccc1O ZINC000012119186 570720268 /nfs/dbraw/zinc/72/02/68/570720268.db2.gz WOUZYTWYUFCPQW-INIZCTEOSA-N 1 0 368.433 3.536 40 0 FHABRO COc1cccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1OC ZINC000012122147 570720801 /nfs/dbraw/zinc/72/08/01/570720801.db2.gz KWIWTTUNAJHMIU-UHFFFAOYSA-N 1 0 369.461 3.648 40 0 FHABRO COc1ccc2c(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)cn(C)c2c1 ZINC000012328833 570737328 /nfs/dbraw/zinc/73/73/28/570737328.db2.gz KCRITBFXLYNDMA-UHFFFAOYSA-N 1 0 364.489 3.979 40 0 FHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329442 570737414 /nfs/dbraw/zinc/73/74/14/570737414.db2.gz IPODWICUONHWCC-SFTDATJTSA-N 1 0 367.489 3.688 40 0 FHABRO CCOc1cc(C[N@@H+]2CCc3sccc3[C@@H]2CC)ccc1OCC(N)=O ZINC000012364218 570738779 /nfs/dbraw/zinc/73/87/79/570738779.db2.gz MCJVLNQHAYPOOD-INIZCTEOSA-N 1 0 374.506 3.520 40 0 FHABRO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009062737 570797033 /nfs/dbraw/zinc/79/70/33/570797033.db2.gz UPAOBEXWSQTBBR-INIZCTEOSA-N 1 0 370.468 3.924 40 0 FHABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@H](C)O)cc1OC ZINC000013991764 570801190 /nfs/dbraw/zinc/80/11/90/570801190.db2.gz FVULGZYTNNQZRB-INIZCTEOSA-N 1 0 366.461 3.635 40 0 FHABRO COCc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3C)ccc1OC(C)C ZINC000019713152 570858493 /nfs/dbraw/zinc/85/84/93/570858493.db2.gz LZZPXCDCJXSOMS-VQTJNVASSA-N 1 0 374.525 3.596 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019081978 570879817 /nfs/dbraw/zinc/87/98/17/570879817.db2.gz JZQPUGTZEMYQPR-PXNSSMCTSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1ccsc1C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@@H](C)O ZINC000019238602 570883480 /nfs/dbraw/zinc/88/34/80/570883480.db2.gz DZYFVYNEKGSSKR-OAHLLOKOSA-N 1 0 359.470 3.764 40 0 FHABRO [NH3+][C@@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(Cl)cc3)c2C1 ZINC000019341122 570886387 /nfs/dbraw/zinc/88/63/87/570886387.db2.gz CXTIVZBAHSEANS-CQSZACIVSA-N 1 0 351.841 3.752 40 0 FHABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000019369197 570888024 /nfs/dbraw/zinc/88/80/24/570888024.db2.gz LELXOLLQAHEFQB-YADHBBJMSA-N 1 0 370.537 3.720 40 0 FHABRO CCC[NH+]1CCC(C[C@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502595 570890666 /nfs/dbraw/zinc/89/06/66/570890666.db2.gz VRFYANCZHCBUIO-LJQANCHMSA-N 1 0 372.509 3.933 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1cnc(SC)nc1 ZINC000019527208 570892224 /nfs/dbraw/zinc/89/22/24/570892224.db2.gz MGPSTFITFIPPPK-INIZCTEOSA-N 1 0 362.568 3.747 40 0 FHABRO COc1ccc(OC)c(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1 ZINC000019551553 570892599 /nfs/dbraw/zinc/89/25/99/570892599.db2.gz HYKYCBKOJUVXNY-KCZVDYSFSA-N 1 0 370.468 3.563 40 0 FHABRO C[NH+](C)C[C@H]1CCCN(C(=O)CCn2c3ccccc3c3c2CCCC3)C1 ZINC000019582044 570895309 /nfs/dbraw/zinc/89/53/09/570895309.db2.gz XGVOBPDXHJLEEH-GOSISDBHSA-N 1 0 367.537 3.710 40 0 FHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000019694545 570899093 /nfs/dbraw/zinc/89/90/93/570899093.db2.gz DNABPEMDGRJQCV-GOSISDBHSA-N 1 0 366.509 3.808 40 0 FHABRO Cc1cccc2c(C(=O)N[C@@H](C)C[NH+]3CCCC3)cc(-c3cccnc3)nc12 ZINC000019716694 570899707 /nfs/dbraw/zinc/89/97/07/570899707.db2.gz KHMOXHQRLOXPNL-KRWDZBQOSA-N 1 0 374.488 3.819 40 0 FHABRO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000019719125 570900911 /nfs/dbraw/zinc/90/09/11/570900911.db2.gz BGMXYBJDXUXZLD-UHFFFAOYSA-N 1 0 361.873 3.908 40 0 FHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022513045 570945110 /nfs/dbraw/zinc/94/51/10/570945110.db2.gz DIBFEYJBEAVFAJ-HLIPFELVSA-N 1 0 360.542 3.945 40 0 FHABRO Cc1ccc(C)c(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000224027538 570974818 /nfs/dbraw/zinc/97/48/18/570974818.db2.gz WQOLZPMYAUGZDC-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 ZINC000224332829 570985447 /nfs/dbraw/zinc/98/54/47/570985447.db2.gz LSRFHJRKSXRTDX-SFHVURJKSA-N 1 0 352.478 3.727 40 0 FHABRO O=C(NCCOc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000224532176 570992380 /nfs/dbraw/zinc/99/23/80/570992380.db2.gz VWXYZOGFIMBHSH-UHFFFAOYSA-N 1 0 372.896 3.747 40 0 FHABRO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224551118 570992818 /nfs/dbraw/zinc/99/28/18/570992818.db2.gz HHIQPVSNXHLWMF-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787772 571000926 /nfs/dbraw/zinc/00/09/26/571000926.db2.gz OYCOFXJQYHGPAL-OAQYLSRUSA-N 1 0 370.468 3.895 40 0 FHABRO Cc1cccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1C ZINC000225210994 571022042 /nfs/dbraw/zinc/02/20/42/571022042.db2.gz ABDGTNMAHBYYKZ-UHFFFAOYSA-N 1 0 365.546 3.785 40 0 FHABRO Cc1cccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)c1Cl ZINC000225215858 571022517 /nfs/dbraw/zinc/02/25/17/571022517.db2.gz LCKXNELIROEQFJ-UHFFFAOYSA-N 1 0 369.987 3.858 40 0 FHABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039773252 571023910 /nfs/dbraw/zinc/02/39/10/571023910.db2.gz ZSOHRCJQZGHOHS-UHFFFAOYSA-N 1 0 366.461 3.714 40 0 FHABRO Fc1ccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306143363 571042642 /nfs/dbraw/zinc/04/26/42/571042642.db2.gz YAGFBKWJMFMSOZ-FQEVSTJZSA-N 1 0 369.465 3.926 40 0 FHABRO O=C(Nc1ccc(OCCC[NH+]2CCCC2)cc1)C(Cl)(Cl)Cl ZINC000225590278 571047650 /nfs/dbraw/zinc/04/76/50/571047650.db2.gz JLCZZYYCFMEKCE-UHFFFAOYSA-N 1 0 365.688 3.860 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225602868 571048530 /nfs/dbraw/zinc/04/85/30/571048530.db2.gz ZWCFTZKRMIGANJ-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 ZINC000225606295 571048955 /nfs/dbraw/zinc/04/89/55/571048955.db2.gz IPBFZCGSMXGTIB-HXUWFJFHSA-N 1 0 350.503 3.797 40 0 FHABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225623267 571050416 /nfs/dbraw/zinc/05/04/16/571050416.db2.gz JPHBDJRMZMMVMR-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225623246 571050458 /nfs/dbraw/zinc/05/04/58/571050458.db2.gz JPHBDJRMZMMVMR-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCCCC1 ZINC000225630570 571050745 /nfs/dbraw/zinc/05/07/45/571050745.db2.gz BIJXPWJQNOMMEA-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCCC1 ZINC000225628252 571050757 /nfs/dbraw/zinc/05/07/57/571050757.db2.gz YAEZNNNRZNOXJA-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 ZINC000225634913 571051390 /nfs/dbraw/zinc/05/13/90/571051390.db2.gz DBRNPDSYMXHYAD-UTKZUKDTSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225715591 571058454 /nfs/dbraw/zinc/05/84/54/571058454.db2.gz PTJFQWOYIGMKLQ-DYESRHJHSA-N 1 0 362.514 3.941 40 0 FHABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225720499 571059235 /nfs/dbraw/zinc/05/92/35/571059235.db2.gz ZTPODGQQDQSPKV-UHFFFAOYSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1cc(Nc2cc(C3CC3)nc(NCC[NH+](C)C)n2)ccc1C(C)C ZINC000328964058 571105345 /nfs/dbraw/zinc/10/53/45/571105345.db2.gz BSMSKQSUXJNOBM-UHFFFAOYSA-N 1 0 353.514 3.925 40 0 FHABRO COc1cccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328980873 571105883 /nfs/dbraw/zinc/10/58/83/571105883.db2.gz GQVKLQWVHOBUTA-UHFFFAOYSA-N 1 0 352.482 3.563 40 0 FHABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000247518336 571125507 /nfs/dbraw/zinc/12/55/07/571125507.db2.gz KORGUVCSUMMEOB-QGZVFWFLSA-N 1 0 360.429 3.654 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)n1 ZINC000247866467 571126241 /nfs/dbraw/zinc/12/62/41/571126241.db2.gz IYSSJTVVBYFMJD-LJQANCHMSA-N 1 0 367.493 3.625 40 0 FHABRO Cc1ccc(CN2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)o1 ZINC000248052921 571127568 /nfs/dbraw/zinc/12/75/68/571127568.db2.gz BLSMRTOYAXCJDU-FQEVSTJZSA-N 1 0 358.482 3.780 40 0 FHABRO CC(C)(CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCCCC1 ZINC000627015514 571145596 /nfs/dbraw/zinc/14/55/96/571145596.db2.gz SLOLWYIATGPJRD-DZGCQCFKSA-N 1 0 361.452 3.682 40 0 FHABRO Cc1cccnc1Nc1cc(C2CC[NH+](Cc3cn(C)cn3)CC2)ccn1 ZINC000257210297 571150253 /nfs/dbraw/zinc/15/02/53/571150253.db2.gz BUABCZYVYJJWGW-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1c(C)n(CCC(=O)N2CCCC[C@H]3[C@@H]2CC[N@H+]3C)c2ccccc12 ZINC000257222386 571151585 /nfs/dbraw/zinc/15/15/85/571151585.db2.gz DTBWKLYZJWCXGR-SFTDATJTSA-N 1 0 353.510 3.733 40 0 FHABRO Cc1cccnc1Nc1cc(C2CC[NH+](Cc3ccnn3C)CC2)ccn1 ZINC000257224450 571151905 /nfs/dbraw/zinc/15/19/05/571151905.db2.gz FBWMRTDPKBSBRF-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1cnc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cncs3)C2)s1 ZINC000257235828 571152794 /nfs/dbraw/zinc/15/27/94/571152794.db2.gz GZRUFIOIFWPSOY-CYBMUJFWSA-N 1 0 372.523 3.821 40 0 FHABRO CC[N@H+](C)[C@@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000257239219 571153434 /nfs/dbraw/zinc/15/34/34/571153434.db2.gz HOLBDFOSOPORRF-IBGZPJMESA-N 1 0 358.526 3.883 40 0 FHABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257244377 571153612 /nfs/dbraw/zinc/15/36/12/571153612.db2.gz ILAGVZWGDWOMEJ-OAHLLOKOSA-N 1 0 369.419 3.833 40 0 FHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccccc2F)c1 ZINC000257253936 571154712 /nfs/dbraw/zinc/15/47/12/571154712.db2.gz KAXSPLKGRFZQDB-UHFFFAOYSA-N 1 0 363.436 3.879 40 0 FHABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccccn3)CC1)[C@H]1CCCO[C@H]21 ZINC000257255386 571154799 /nfs/dbraw/zinc/15/47/99/571154799.db2.gz KHGHHWKRGKPZMB-AZUAARDMSA-N 1 0 366.461 3.682 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257256616 571155051 /nfs/dbraw/zinc/15/50/51/571155051.db2.gz KMFQGPVLCBLVMH-SFHVURJKSA-N 1 0 373.884 3.678 40 0 FHABRO COc1ccc2[nH]cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@H+](C)C4)c2c1 ZINC000257259389 571155418 /nfs/dbraw/zinc/15/54/18/571155418.db2.gz KYDWCAYHVYVDEO-COWZOJLOSA-N 1 0 367.493 3.654 40 0 FHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+]2CC2CCOCC2)nc(C)n1 ZINC000257304667 571159822 /nfs/dbraw/zinc/15/98/22/571159822.db2.gz SMQJLRBIGMHHBM-IBGZPJMESA-N 1 0 367.497 3.796 40 0 FHABRO Cc1noc(C)c1-c1cc(C2CC[NH+]([C@H]3CCCOCC3)CC2)nc(C)n1 ZINC000257329050 571162551 /nfs/dbraw/zinc/16/25/51/571162551.db2.gz XIEJDKQCSUKMGB-SFHVURJKSA-N 1 0 370.497 3.805 40 0 FHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000257338654 571162949 /nfs/dbraw/zinc/16/29/49/571162949.db2.gz YYJACDDOZZNRJL-DZJZLKLXSA-N 1 0 369.440 3.568 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257339764 571163201 /nfs/dbraw/zinc/16/32/01/571163201.db2.gz ZDBVNCJEHIXHHG-QGZVFWFLSA-N 1 0 366.534 3.606 40 0 FHABRO CSc1ncc(C[N@H+]2C[C@H]3[C@@H](C2)CCC[C@]3(O)c2ccc(C)cc2)cn1 ZINC000072340462 571179151 /nfs/dbraw/zinc/17/91/51/571179151.db2.gz KNBCWMOYTUBDJR-LMNJBCLMSA-N 1 0 369.534 3.627 40 0 FHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340445 571179158 /nfs/dbraw/zinc/17/91/58/571179158.db2.gz RENMGUPXFFASRP-WEYGHZABSA-N 1 0 369.484 3.859 40 0 FHABRO CCCn1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340444 571179337 /nfs/dbraw/zinc/17/93/37/571179337.db2.gz WQBSKAJHYXKTIA-YHYVQYDKSA-N 1 0 371.500 3.860 40 0 FHABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c1 ZINC000072348847 571180307 /nfs/dbraw/zinc/18/03/07/571180307.db2.gz LWFYWIVXDXEFHS-FQEVSTJZSA-N 1 0 372.472 3.622 40 0 FHABRO Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)C[NH+]3CCCC3)n2)cc1 ZINC000072358043 571183303 /nfs/dbraw/zinc/18/33/03/571183303.db2.gz JKPUHHBSVDVDIR-JOCHJYFZSA-N 1 0 363.505 3.740 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072359731 571184229 /nfs/dbraw/zinc/18/42/29/571184229.db2.gz HEESZNLIKPWLML-QGZVFWFLSA-N 1 0 367.884 3.910 40 0 FHABRO Cc1cnc(Nc2cc([C@@H]3CCC[N@@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360367 571184387 /nfs/dbraw/zinc/18/43/87/571184387.db2.gz ZHLBXUFIICMHJX-INIZCTEOSA-N 1 0 359.499 3.609 40 0 FHABRO COc1cccc(Oc2nccnc2C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000072362866 571184637 /nfs/dbraw/zinc/18/46/37/571184637.db2.gz RZQDUVDHSYATDL-UHFFFAOYSA-N 1 0 369.465 3.636 40 0 FHABRO Cc1ccc(OC[C@H](O)C[N@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000027531061 571184825 /nfs/dbraw/zinc/18/48/25/571184825.db2.gz IKQSZGYUGSPOJM-HXUWFJFHSA-N 1 0 371.521 3.527 40 0 FHABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3Cc3ccnn3C)c2)s1 ZINC000072372602 571185304 /nfs/dbraw/zinc/18/53/04/571185304.db2.gz JIYHBEFATVXGIY-SFHVURJKSA-N 1 0 368.510 3.969 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000072376862 571185994 /nfs/dbraw/zinc/18/59/94/571185994.db2.gz HKQSPLVJSPBWQH-LJQANCHMSA-N 1 0 363.440 3.987 40 0 FHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccccc1F ZINC000072380343 571188036 /nfs/dbraw/zinc/18/80/36/571188036.db2.gz WRTGOEQGSKOFFC-IBGZPJMESA-N 1 0 370.472 3.755 40 0 FHABRO Cc1cccc(C[NH+]2CCC(c3cncc(Oc4cccnc4)n3)CC2)n1 ZINC000072384175 571189055 /nfs/dbraw/zinc/18/90/55/571189055.db2.gz UYXUJAHBHMHPAT-UHFFFAOYSA-N 1 0 361.449 3.747 40 0 FHABRO CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1c2cccnc2[nH]c1C1CC1 ZINC000072395508 571190652 /nfs/dbraw/zinc/19/06/52/571190652.db2.gz YYSFNWAOLHCKLF-WOJBJXKFSA-N 1 0 374.488 3.544 40 0 FHABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CC1 ZINC000072398548 571190710 /nfs/dbraw/zinc/19/07/10/571190710.db2.gz YKWLJDCNBGOAHX-RXVVDRJESA-N 1 0 367.468 3.700 40 0 FHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](CC(C)C)C1 ZINC000072395926 571190872 /nfs/dbraw/zinc/19/08/72/571190872.db2.gz YRVPSDOXTZOMRF-QFIPXVFZSA-N 1 0 369.509 3.758 40 0 FHABRO COc1c(C)cccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257259336 571204622 /nfs/dbraw/zinc/20/46/22/571204622.db2.gz KXVXIPDWBXKBDR-MBOZVWFJSA-N 1 0 367.493 3.635 40 0 FHABRO Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccc2)c1 ZINC000306126959 571213093 /nfs/dbraw/zinc/21/30/93/571213093.db2.gz FJZVLXOGDOPUTC-XZOQPEGZSA-N 1 0 371.484 3.878 40 0 FHABRO O=C(c1ccncc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100696 571221297 /nfs/dbraw/zinc/22/12/97/571221297.db2.gz TWTOOAJMPTWONU-JOCHJYFZSA-N 1 0 367.468 3.882 40 0 FHABRO O=C(N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1)C1(F)CC1 ZINC000585100407 571221343 /nfs/dbraw/zinc/22/13/43/571221343.db2.gz QSKKZHPSDMUHDP-LJQANCHMSA-N 1 0 366.427 3.814 40 0 FHABRO COCC[N@@H+]1CCCC[C@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000585113203 571226499 /nfs/dbraw/zinc/22/64/99/571226499.db2.gz CHJWYIFCLULILF-NRFANRHFSA-N 1 0 358.526 3.657 40 0 FHABRO COc1cc2c(cc1OC)[C@H](C)[N@@H+]([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000012232924 571303470 /nfs/dbraw/zinc/30/34/70/571303470.db2.gz BXLVLBPVMABBGJ-WMZOPIPTSA-N 1 0 374.525 3.660 40 0 FHABRO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456787 571303948 /nfs/dbraw/zinc/30/39/48/571303948.db2.gz CCWNOGYVXNWTQL-AOMKIAJQSA-N 1 0 352.453 3.577 40 0 FHABRO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456891 571303990 /nfs/dbraw/zinc/30/39/90/571303990.db2.gz RAMNQILXCKTTEZ-AOMKIAJQSA-N 1 0 352.453 3.577 40 0 FHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000019525725 571304038 /nfs/dbraw/zinc/30/40/38/571304038.db2.gz AOMHEQYOLXBIKC-UCNVEGJOSA-N 1 0 369.484 3.688 40 0 FHABRO CC[N@H+](C)[C@H]1CN(C(=O)c2ccc(OCCOC)cc2)C2(C1)CCCCC2 ZINC000019703797 571304413 /nfs/dbraw/zinc/30/44/13/571304413.db2.gz FDCYICYIILUPOO-LJQANCHMSA-N 1 0 374.525 3.581 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4ccccc4F)[nH]n3)C2)s1 ZINC000019704319 571304490 /nfs/dbraw/zinc/30/44/90/571304490.db2.gz VJXOYXDQFYSJDQ-CQSZACIVSA-N 1 0 372.469 3.882 40 0 FHABRO COc1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712618 571304653 /nfs/dbraw/zinc/30/46/53/571304653.db2.gz RVYGVGROKTYQOD-MZKRTTBSSA-N 1 0 364.489 3.722 40 0 FHABRO O=C(NC1CCCC1)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241723 571304988 /nfs/dbraw/zinc/30/49/88/571304988.db2.gz LAWGWVIQGZMMCO-UHFFFAOYSA-N 1 0 363.505 3.681 40 0 FHABRO CC1CCN(c2ccc(C(=O)NC(C)(C)C[NH+]3CCCCC3)cc2)CC1 ZINC000141537938 571307266 /nfs/dbraw/zinc/30/72/66/571307266.db2.gz JEZPUHLWTKFXKN-UHFFFAOYSA-N 1 0 357.542 3.917 40 0 FHABRO Brc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842140 571327352 /nfs/dbraw/zinc/32/73/52/571327352.db2.gz SWYIISUVTWEOOY-BPQIPLTHSA-N 1 0 361.327 3.779 40 0 FHABRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1ccc(Br)cc1 ZINC000008300475 291076490 /nfs/dbraw/zinc/07/64/90/291076490.db2.gz ZVTILUSQLGIBAF-HEHGZKQESA-N 1 0 366.303 3.691 40 0 biogenic,in-vitro FHABRO COc1cc2cccnc2c(NC[C@](C)(O)C[N@H+](CC(C)C)C(C)C)c1 ZINC000001656135 204015787 /nfs/dbraw/zinc/01/57/87/204015787.db2.gz PMFHVABLBBJDLO-NRFANRHFSA-N 1 0 359.514 3.773 40 0 FHABRO C[N@@H+]1CC[C@@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1 ZINC000001672574 204016830 /nfs/dbraw/zinc/01/68/30/204016830.db2.gz SQHRAWGCFMHPMQ-FQEVSTJZSA-N 1 0 362.517 3.937 40 0 FHABRO COc1cc2cc3[n+](c(C)c2cc1OC)CCc1cc(OC)c(OC)cc1-3 ZINC000001727150 204017813 /nfs/dbraw/zinc/01/78/13/204017813.db2.gz KNNVLECBHFVMII-UHFFFAOYSA-N 1 0 366.437 3.693 40 0 FHABRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@H]32 ZINC000004097860 204120257 /nfs/dbraw/zinc/12/02/57/204120257.db2.gz ARQOGCYMPUOVHK-ZHHKINOHSA-N 1 0 354.494 3.726 40 0 endogenous,in-man FHABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 ZINC000006416308 204248903 /nfs/dbraw/zinc/24/89/03/204248903.db2.gz CEHZYXNQEJOFKB-UHFFFAOYSA-N 1 0 361.486 3.639 40 0 FHABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000006462767 204249612 /nfs/dbraw/zinc/24/96/12/204249612.db2.gz CDNYOZMPRWRUEN-UHFFFAOYSA-N 1 0 359.514 3.667 40 0 FHABRO CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447925 204297860 /nfs/dbraw/zinc/29/78/60/204297860.db2.gz YATNWUPYWDGFAF-UHFFFAOYSA-N 1 0 366.505 3.930 40 0 FHABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OC ZINC000006870214 204278547 /nfs/dbraw/zinc/27/85/47/204278547.db2.gz TVXMVPHWXNJBAL-UHFFFAOYSA-N 1 0 351.244 3.541 40 0 FHABRO CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007850205 204309226 /nfs/dbraw/zinc/30/92/26/204309226.db2.gz DATXBXFUJOIZFK-UHFFFAOYSA-N 1 0 366.505 3.930 40 0 FHABRO CCOc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000008254402 204323929 /nfs/dbraw/zinc/32/39/29/204323929.db2.gz ATCVWCZBPXLPGM-UHFFFAOYSA-N 1 0 362.514 3.801 40 0 FHABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008327041 204327551 /nfs/dbraw/zinc/32/75/51/204327551.db2.gz MBXWMTFETJIBKG-OAHLLOKOSA-N 1 0 367.848 3.927 40 0 FHABRO Cc1ccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(C)c1 ZINC000010156519 204391425 /nfs/dbraw/zinc/39/14/25/204391425.db2.gz RWRJHDKABHDLBS-UHFFFAOYSA-N 1 0 361.449 3.745 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C ZINC000010456489 204396650 /nfs/dbraw/zinc/39/66/50/204396650.db2.gz DQOLIXIXBYRYGU-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Fc1ccc(CC[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019341453 204677975 /nfs/dbraw/zinc/67/79/75/204677975.db2.gz MBJGPLJQEJICJL-UHFFFAOYSA-N 1 0 352.413 3.693 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cccc(OC)c1OC ZINC000019527217 204686793 /nfs/dbraw/zinc/68/67/93/204686793.db2.gz PFOCQSACHCROIP-HXUWFJFHSA-N 1 0 369.509 3.585 40 0 FHABRO Cc1ccc([C@@H](NC(=O)CC[N@H+]2CCCC[C@@H]2C)c2cccnc2)cc1 ZINC000036734476 205020569 /nfs/dbraw/zinc/02/05/69/205020569.db2.gz DSPBPKLMHZTKCQ-PGRDOPGGSA-N 1 0 351.494 3.860 40 0 FHABRO C[C@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000036719527 205021493 /nfs/dbraw/zinc/02/14/93/205021493.db2.gz WTNDVPBYVSXRMO-XLIONFOSSA-N 1 0 374.488 3.815 40 0 FHABRO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834776 205043580 /nfs/dbraw/zinc/04/35/80/205043580.db2.gz VBXHZWNUQHQSCD-INIZCTEOSA-N 1 0 372.440 3.694 40 0 FHABRO COc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044906906 205114688 /nfs/dbraw/zinc/11/46/88/205114688.db2.gz ADGBZXJWBOYKAW-UHFFFAOYSA-N 1 0 352.478 3.654 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000107728392 206023566 /nfs/dbraw/zinc/02/35/66/206023566.db2.gz QQTZKGMAIOOPOE-CTNGQTDRSA-N 1 0 356.441 3.680 40 0 FHABRO O=C1N(Cc2ccncc2)CCCC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000108527987 206033236 /nfs/dbraw/zinc/03/32/36/206033236.db2.gz RPKSMPGARQIXJB-LJQANCHMSA-N 1 0 353.510 3.643 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000049169375 206085830 /nfs/dbraw/zinc/08/58/30/206085830.db2.gz DBNPXYPXMLZLQB-SFHVURJKSA-N 1 0 362.433 3.685 40 0 biogenic,in-vitro FHABRO Cc1c(/C=C/c2cc[n+](C)cc2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000004932939 206185645 /nfs/dbraw/zinc/18/56/45/206185645.db2.gz FBYATUCAOBYVEQ-UHFFFAOYSA-N 1 0 360.481 3.567 40 0 FHABRO COc1ccc(C2(O)CC[NH+](CCCCOc3ccccc3)CC2)cc1 ZINC000004967523 206186226 /nfs/dbraw/zinc/18/62/26/206186226.db2.gz JNIDCDDMCZGKCX-UHFFFAOYSA-N 1 0 355.478 3.838 40 0 FHABRO COCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008469155 206248111 /nfs/dbraw/zinc/24/81/11/206248111.db2.gz DRGOPRYSOIQNJP-UHFFFAOYSA-N 1 0 353.821 3.803 40 0 FHABRO CC(C)c1cccc2cc(C[NH2+]CCc3ccc4c(c3)OCO4)c(=O)[nH]c21 ZINC000013998784 206307227 /nfs/dbraw/zinc/30/72/27/206307227.db2.gz DFYCCOKJZAUDMT-UHFFFAOYSA-N 1 0 364.445 3.713 40 0 FHABRO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000057698453 206384902 /nfs/dbraw/zinc/38/49/02/206384902.db2.gz GIUIVAMVPPCYOA-CRAIPNDOSA-N 1 0 370.946 3.533 40 0 FHABRO CCOc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@@H+]1CC ZINC000022931722 206396217 /nfs/dbraw/zinc/39/62/17/206396217.db2.gz XYDJCNBCBLODHK-OAQYLSRUSA-N 1 0 353.510 3.967 40 0 FHABRO CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000223154379 206433418 /nfs/dbraw/zinc/43/34/18/206433418.db2.gz GGGQAMJSEVJFQI-UHFFFAOYSA-N 1 0 362.524 3.888 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225626128 206490178 /nfs/dbraw/zinc/49/01/78/206490178.db2.gz NYKUOIMXMUDPAB-ROUUACIJSA-N 1 0 374.525 3.941 40 0 FHABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)COc3ccccc3Cl)CCC[C@@]21C ZINC000257339211 206627498 /nfs/dbraw/zinc/62/74/98/206627498.db2.gz ZASNOHVGCAOTQW-HKUYNNGSSA-N 1 0 350.890 3.584 40 0 FHABRO O=C1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc2N1c1cncnc1 ZINC000096080278 132218655 /nfs/dbraw/zinc/21/86/55/132218655.db2.gz HKDMCNGGRHNERQ-UHFFFAOYSA-N 1 0 374.444 3.672 40 0 FHABRO Cc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329021372 132372635 /nfs/dbraw/zinc/37/26/35/132372635.db2.gz OGTAECQCEKGKKQ-CQSZACIVSA-N 1 0 352.482 3.756 40 0 FHABRO CC[C@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C)[nH+]1 ZINC000329066918 132373308 /nfs/dbraw/zinc/37/33/08/132373308.db2.gz YEVCYGQOZGCTOY-AWEZNQCLSA-N 1 0 354.498 3.786 40 0 FHABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039743770 263399686 /nfs/dbraw/zinc/39/96/86/263399686.db2.gz FKWLZTMRYNZQME-UHFFFAOYSA-N 1 0 372.896 3.877 40 0 FHABRO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000223198119 568624816 /nfs/dbraw/zinc/62/48/16/568624816.db2.gz UKRKEHGIPIMFEF-UHFFFAOYSA-N 1 0 362.524 3.501 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)o1 ZINC000096040097 570472925 /nfs/dbraw/zinc/47/29/25/570472925.db2.gz NRNMFJVMMBDKMM-LEWJYISDSA-N 1 0 356.466 3.571 40 0 FHABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047624 570473845 /nfs/dbraw/zinc/47/38/45/570473845.db2.gz VODNQTIRZLLDHJ-TZIWHRDSSA-N 1 0 356.441 3.680 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053141 570474168 /nfs/dbraw/zinc/47/41/68/570474168.db2.gz CSJKULSSWBWSBR-QGZVFWFLSA-N 1 0 368.477 3.659 40 0 FHABRO Cc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)s1 ZINC000096052255 570474349 /nfs/dbraw/zinc/47/43/49/570474349.db2.gz NSGYEQMYCRFHSG-LJQANCHMSA-N 1 0 370.518 3.924 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC000096050573 570474490 /nfs/dbraw/zinc/47/44/90/570474490.db2.gz DDGSVEIXXDODSO-QHCPKHFHSA-N 1 0 364.489 3.628 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CCCN3C(=O)c3ccco3)CC2)cc1 ZINC000096049332 570474603 /nfs/dbraw/zinc/47/46/03/570474603.db2.gz BZOLESGKHAYVHO-UHFFFAOYSA-N 1 0 354.450 3.559 40 0 FHABRO COc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2=O)c1 ZINC000096050660 570474609 /nfs/dbraw/zinc/47/46/09/570474609.db2.gz QBRGDNOPCHCWNX-OAQYLSRUSA-N 1 0 370.518 3.690 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC000096057069 570474615 /nfs/dbraw/zinc/47/46/15/570474615.db2.gz KDSCUESDDWYUPH-IFMALSPDSA-N 1 0 368.477 3.540 40 0 FHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2)N1CC=CC1 ZINC000096075182 570474931 /nfs/dbraw/zinc/47/49/31/570474931.db2.gz APNHKRXPJBQMOG-UHFFFAOYSA-N 1 0 353.510 3.643 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)o1 ZINC000096106141 570475512 /nfs/dbraw/zinc/47/55/12/570475512.db2.gz XFHDZJKWSPKFTE-FQEVSTJZSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1ccsc1C[N@@H+]1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107307 570475539 /nfs/dbraw/zinc/47/55/39/570475539.db2.gz HDWUAYXTQDVIGE-QUCCMNQESA-N 1 0 358.507 3.792 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106752 570475607 /nfs/dbraw/zinc/47/56/07/570475607.db2.gz PPHMEFURWGYGDL-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1cccc(COC[C@@H]2CC3(CO2)CC[NH+](Cc2ccoc2)CC3)n1 ZINC000096207277 570479075 /nfs/dbraw/zinc/47/90/75/570479075.db2.gz QMUHTIIVIZYEDA-FQEVSTJZSA-N 1 0 356.466 3.571 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4csc(C)n4)C3)C2)c1 ZINC000096215576 570479431 /nfs/dbraw/zinc/47/94/31/570479431.db2.gz ZDPYZLFPSVWZAX-OAQYLSRUSA-N 1 0 371.550 3.948 40 0 FHABRO O=C(Nc1ccccc1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccnc2)C1 ZINC000096214626 570479584 /nfs/dbraw/zinc/47/95/84/570479584.db2.gz OSFDRNWAWDBANT-OAQYLSRUSA-N 1 0 350.466 3.744 40 0 FHABRO c1ccc(CN[C@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)nc1 ZINC000096242810 570480034 /nfs/dbraw/zinc/48/00/34/570480034.db2.gz XUQHUQVLGGJXNS-NRFANRHFSA-N 1 0 363.505 3.940 40 0 FHABRO c1nc(Nc2cncc(C[C@@H]3CCC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000585263028 570481301 /nfs/dbraw/zinc/48/13/01/570481301.db2.gz HXKMEOWDWKSBOQ-OAHLLOKOSA-N 1 0 365.506 3.698 40 0 FHABRO O=C(Nc1nc([C@@H]2CCC[NH2+]2)cs1)c1ccc(Br)cc1 ZINC000585266504 570482669 /nfs/dbraw/zinc/48/26/69/570482669.db2.gz AORMVLHBHKPNDW-NSHDSACASA-N 1 0 352.257 3.582 40 0 FHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2C[C@@]1(O)CC[C@H](c2ccccc2)CC1 ZINC000585282319 570493036 /nfs/dbraw/zinc/49/30/36/570493036.db2.gz DMGUBLPPFCOWNJ-ODAXIHTASA-N 1 0 370.537 3.551 40 0 FHABRO C[C@]12CCC[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)[C@H]1CCCC(=O)N2 ZINC000585283963 570493579 /nfs/dbraw/zinc/49/35/79/570493579.db2.gz PVNOJCAXNZSTCK-BAMDZGJYSA-N 1 0 370.537 3.599 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2F)[C@@H]1Cc1cccc(C)c1 ZINC000585285450 570494012 /nfs/dbraw/zinc/49/40/12/570494012.db2.gz JYGFHSOIYMYVAL-VXKWHMMOSA-N 1 0 354.469 3.846 40 0 FHABRO Cc1ccc(N2CCC(O)(C[N@@H+]3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)cc1 ZINC000585286613 570494662 /nfs/dbraw/zinc/49/46/62/570494662.db2.gz PFQJUXFXOJYKNL-NHCUHLMSSA-N 1 0 372.553 3.748 40 0 FHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000585289276 570495095 /nfs/dbraw/zinc/49/50/95/570495095.db2.gz HFALXIRDPGDLAL-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345973 570538028 /nfs/dbraw/zinc/53/80/28/570538028.db2.gz JMKFNPRLBRGUFB-MRXNPFEDSA-N 1 0 363.440 3.640 40 0 FHABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4F)C3)n2)cc1 ZINC000072369914 570546541 /nfs/dbraw/zinc/54/65/41/570546541.db2.gz WIGOQMNBEVAORZ-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(OC)c4)C3)n2)cc1 ZINC000072369924 570546748 /nfs/dbraw/zinc/54/67/48/570546748.db2.gz HGHOZMSIGOZAKC-KRWDZBQOSA-N 1 0 365.433 3.743 40 0 FHABRO C[NH+](C)CCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000242840116 570609385 /nfs/dbraw/zinc/60/93/85/570609385.db2.gz FVMPCKZVTITIAI-UHFFFAOYSA-N 1 0 365.456 3.868 40 0 FHABRO CCOc1cc([C@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1O ZINC000408918035 570699587 /nfs/dbraw/zinc/69/95/87/570699587.db2.gz FJMMWTHNOQKBRB-MRXNPFEDSA-N 1 0 368.824 3.745 40 0 FHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128490 570720727 /nfs/dbraw/zinc/72/07/27/570720727.db2.gz CGSBQWGGUSHRQJ-VQTJNVASSA-N 1 0 351.425 3.941 40 0 FHABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000012163178 570724383 /nfs/dbraw/zinc/72/43/83/570724383.db2.gz AOZDPYLWGJWJFF-INIZCTEOSA-N 1 0 359.901 3.873 40 0 FHABRO Cc1cc2occ(CC(=O)N(CC[NH+](C)C)Cc3cccnc3)c2cc1C ZINC000012223077 570729484 /nfs/dbraw/zinc/72/94/84/570729484.db2.gz ZCQUDWVTTAHHDE-UHFFFAOYSA-N 1 0 365.477 3.578 40 0 FHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239702 570730522 /nfs/dbraw/zinc/73/05/22/570730522.db2.gz GBGIAMASRSGOEJ-KRWDZBQOSA-N 1 0 357.523 3.652 40 0 FHABRO CCCn1nc(C)c(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)c1C ZINC000012242225 570730953 /nfs/dbraw/zinc/73/09/53/570730953.db2.gz WBJKJTCBYJGMJZ-NRFANRHFSA-N 1 0 359.489 3.923 40 0 FHABRO Cc1ccccc1C1(O)CC[NH+](C[C@@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012292583 570732264 /nfs/dbraw/zinc/73/22/64/570732264.db2.gz ODKSCRADHGZZPQ-JOCHJYFZSA-N 1 0 351.490 3.501 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2ccccc2c1 ZINC000012292291 570732322 /nfs/dbraw/zinc/73/23/22/570732322.db2.gz CMASPQHXKBFVGL-JOCHJYFZSA-N 1 0 365.448 3.996 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292062 570732394 /nfs/dbraw/zinc/73/23/94/570732394.db2.gz LVVWCHCVHBNFKM-SFHVURJKSA-N 1 0 365.395 3.722 40 0 FHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293762 570732831 /nfs/dbraw/zinc/73/28/31/570732831.db2.gz MCZKOYYYOZMNKA-PMACEKPBSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293459 570732834 /nfs/dbraw/zinc/73/28/34/570732834.db2.gz GHBIVWOYBSZXEM-PMACEKPBSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4C[C@@H](C)C[C@H](C)C4)n3)cc2)n1 ZINC000012337098 570737627 /nfs/dbraw/zinc/73/76/27/570737627.db2.gz JZXQZQOVXPWKTO-GJZGRUSLSA-N 1 0 363.465 3.980 40 0 FHABRO CCCO[C@@H]1CCC[N@H+](Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 ZINC000012364446 570738803 /nfs/dbraw/zinc/73/88/03/570738803.db2.gz GSLSGQLOTILTGT-LJQANCHMSA-N 1 0 371.525 3.557 40 0 FHABRO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC000012365946 570739268 /nfs/dbraw/zinc/73/92/68/570739268.db2.gz BGVIAVODRCHHEW-UHFFFAOYSA-N 1 0 364.489 3.771 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000013268244 570776048 /nfs/dbraw/zinc/77/60/48/570776048.db2.gz HFZXAAXJIWGISF-FUHWJXTLSA-N 1 0 350.466 3.780 40 0 FHABRO CC[NH2+][C@@H]1CN(C(=O)CCCOc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019703992 570857628 /nfs/dbraw/zinc/85/76/28/570857628.db2.gz IUDGNNVLEGTNSE-SFHVURJKSA-N 1 0 374.525 3.768 40 0 FHABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000018147554 570875534 /nfs/dbraw/zinc/87/55/34/570875534.db2.gz FAXNPALNPOBFEA-UHFFFAOYSA-N 1 0 352.478 3.790 40 0 FHABRO COc1ccc(C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ncccc1C ZINC000019133233 570880942 /nfs/dbraw/zinc/88/09/42/570880942.db2.gz MVIJRIXUBRTWSZ-DETIRCLXSA-N 1 0 366.505 3.827 40 0 FHABRO Cc1ccc([C@@H](NC(=O)CCC[NH+]2CCCC2)c2ccncc2)cc1C ZINC000019213524 570881848 /nfs/dbraw/zinc/88/18/48/570881848.db2.gz DXVOLAFJBRDXFN-QFIPXVFZSA-N 1 0 351.494 3.780 40 0 FHABRO c1nc2ccccc2n1CN1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000019314221 570885792 /nfs/dbraw/zinc/88/57/92/570885792.db2.gz YXFJNTCFNAAVPY-UHFFFAOYSA-N 1 0 350.510 3.580 40 0 FHABRO Fc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019348997 570886809 /nfs/dbraw/zinc/88/68/09/570886809.db2.gz WKVXUUXKSDMWMC-CYBMUJFWSA-N 1 0 361.371 3.581 40 0 FHABRO C[C@H](CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC000019455566 570889684 /nfs/dbraw/zinc/88/96/84/570889684.db2.gz PKNNMMVNPNQCHV-QZTJIDSGSA-N 1 0 362.489 3.708 40 0 FHABRO COc1ccc(C(=O)N2CCC(c3cc4c[nH+]ccc4[nH]3)CC2)cc1OC ZINC000019559826 570893033 /nfs/dbraw/zinc/89/30/33/570893033.db2.gz HSHPZGHLEPKXKA-UHFFFAOYSA-N 1 0 365.433 3.600 40 0 FHABRO COc1ccc(CN(C)CC[NH+]2CCCCC2)cc1Cc1c(C)noc1C ZINC000019581005 570895407 /nfs/dbraw/zinc/89/54/07/570895407.db2.gz PEPIGGNIBKVJJU-UHFFFAOYSA-N 1 0 371.525 3.809 40 0 FHABRO Cc1nc(C2CC[NH+](C)CC2)nc2c1CCCN2Cc1ccc(F)cc1 ZINC000019705754 570898868 /nfs/dbraw/zinc/89/88/68/570898868.db2.gz DKHRBNLNSQOVEC-UHFFFAOYSA-N 1 0 354.473 3.686 40 0 FHABRO Cc1ncc(C[NH+]2CCC(c3cc(-c4cncnc4)cc(C)n3)CC2)s1 ZINC000019692146 570899081 /nfs/dbraw/zinc/89/90/81/570899081.db2.gz JQSSGXOCLRDOMH-UHFFFAOYSA-N 1 0 365.506 3.992 40 0 FHABRO Cc1cc(C)c2nc(C)c(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2c1 ZINC000019715325 570899493 /nfs/dbraw/zinc/89/94/93/570899493.db2.gz YLCJXZNEDKXSKK-UHFFFAOYSA-N 1 0 351.494 3.860 40 0 FHABRO COc1ccc(CCC(=O)N2CCC([C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000019747104 570902202 /nfs/dbraw/zinc/90/22/02/570902202.db2.gz SYIBTWAVZGQIPT-FQEVSTJZSA-N 1 0 358.526 3.659 40 0 FHABRO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020037688 570909038 /nfs/dbraw/zinc/90/90/38/570909038.db2.gz AUHSZDQJJDKBSU-INIZCTEOSA-N 1 0 366.461 3.957 40 0 FHABRO O=C(NCCC[NH+]1CCCCC1)c1cc(Br)ccc1Cl ZINC000037977568 570935351 /nfs/dbraw/zinc/93/53/51/570935351.db2.gz WRIWTGZLYHUMQT-UHFFFAOYSA-N 1 0 359.695 3.708 40 0 FHABRO COC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022530949 570945924 /nfs/dbraw/zinc/94/59/24/570945924.db2.gz JKSKLVBIWDLNAF-MRXNPFEDSA-N 1 0 366.461 3.957 40 0 FHABRO CN(CCCOc1ccccc1)CC[N@H+](C)CCCOc1ccccc1 ZINC000022581211 570946790 /nfs/dbraw/zinc/94/67/90/570946790.db2.gz LYXARFOCZSZJSP-UHFFFAOYSA-N 1 0 356.510 3.788 40 0 FHABRO CCOc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224637834 570995603 /nfs/dbraw/zinc/99/56/03/570995603.db2.gz XAXJBRPQFVKWQM-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224989042 571008922 /nfs/dbraw/zinc/00/89/22/571008922.db2.gz DRVHXZLGESVDJA-IYBDPMFKSA-N 1 0 366.933 3.982 40 0 FHABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000039767132 571023444 /nfs/dbraw/zinc/02/34/44/571023444.db2.gz YGEUZYCKHWMLTN-UHFFFAOYSA-N 1 0 352.478 3.532 40 0 FHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039766452 571023606 /nfs/dbraw/zinc/02/36/06/571023606.db2.gz ZMZGKQHHLBEARS-UHFFFAOYSA-N 1 0 366.505 3.575 40 0 FHABRO COc1ccc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225318294 571028165 /nfs/dbraw/zinc/02/81/65/571028165.db2.gz WVOJMJSEMORPTG-UHFFFAOYSA-N 1 0 368.477 3.740 40 0 FHABRO Fc1ccccc1C[N@@H+]1CC[C@@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306138576 571040746 /nfs/dbraw/zinc/04/07/46/571040746.db2.gz SAZFRXITENAZET-QHCPKHFHSA-N 1 0 374.463 3.780 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306139169 571041117 /nfs/dbraw/zinc/04/11/17/571041117.db2.gz SRGIBSMHBJCYNV-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO O=S1(=O)c2ccc(-c3ccoc3)cc2[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000306140208 571041522 /nfs/dbraw/zinc/04/15/22/571041522.db2.gz UNABMRBKHZNBML-HKUYNNGSSA-N 1 0 371.483 3.763 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306142153 571042062 /nfs/dbraw/zinc/04/20/62/571042062.db2.gz WRNNJBVLUGFNET-FQEVSTJZSA-N 1 0 369.465 3.926 40 0 FHABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635004 571051522 /nfs/dbraw/zinc/05/15/22/571051522.db2.gz HDUUDDQKRIJQIP-UTKZUKDTSA-N 1 0 360.498 3.695 40 0 FHABRO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000031666883 571054952 /nfs/dbraw/zinc/05/49/52/571054952.db2.gz VVGRGELMCDPQSV-GOSISDBHSA-N 1 0 362.926 3.615 40 0 FHABRO C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000031524740 571055043 /nfs/dbraw/zinc/05/50/43/571055043.db2.gz JNTPLIBSPYANAX-SFHVURJKSA-N 1 0 352.478 3.756 40 0 FHABRO O=C(COc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462960 571057704 /nfs/dbraw/zinc/05/77/04/571057704.db2.gz HNVYEZCCUKNTOW-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462292 571057846 /nfs/dbraw/zinc/05/78/46/571057846.db2.gz FNHAGAOCZVWLSR-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(C2CC2)n1 ZINC000328963455 571105009 /nfs/dbraw/zinc/10/50/09/571105009.db2.gz BODLIRMQOYRYPR-UHFFFAOYSA-N 1 0 365.403 3.512 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812604 571123297 /nfs/dbraw/zinc/12/32/97/571123297.db2.gz HPNWLUCIFZUJJA-IERDGZPVSA-N 1 0 360.498 3.693 40 0 FHABRO Cc1cccc(COCC[C@H]2CCOC23CN(Cc2ccccc2F)C3)n1 ZINC000247889652 571126111 /nfs/dbraw/zinc/12/61/11/571126111.db2.gz UUECKFCQWYAFLI-IBGZPJMESA-N 1 0 370.468 3.727 40 0 FHABRO C[C@H]1CCCC[N@@H+]1CCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000255190603 571142480 /nfs/dbraw/zinc/14/24/80/571142480.db2.gz YHHSKMXBWODITL-NSHDSACASA-N 1 0 352.283 3.576 40 0 FHABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3nccs3)C2)n1 ZINC000257213036 571150972 /nfs/dbraw/zinc/15/09/72/571150972.db2.gz CFXQDHRWVKYRLN-HNNXBMFYSA-N 1 0 354.479 3.875 40 0 FHABRO Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@]2(C)[NH2+]CCCC[C@H]12 ZINC000257218546 571151282 /nfs/dbraw/zinc/15/12/82/571151282.db2.gz DDNHVZGEWDETFT-JXFKEZNVSA-N 1 0 370.522 3.650 40 0 FHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257223076 571151833 /nfs/dbraw/zinc/15/18/33/571151833.db2.gz DVUKGLIOMIYVMJ-QGZVFWFLSA-N 1 0 373.460 3.862 40 0 FHABRO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(OCC(C)C)cc1 ZINC000257255603 571154760 /nfs/dbraw/zinc/15/47/60/571154760.db2.gz KIDRPTLXTRSOTG-ZWKOTPCHSA-N 1 0 367.493 3.657 40 0 FHABRO CC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@@H]1CCCCC[N@@H+]2Cc1coc(C)n1 ZINC000257263075 571155677 /nfs/dbraw/zinc/15/56/77/571155677.db2.gz LOHACAUADQCCIK-FKBYEOEOSA-N 1 0 367.493 3.742 40 0 FHABRO c1csc(Nc2cc(CC3CC[NH+](Cc4cccnc4)CC3)ncn2)n1 ZINC000257268478 571156274 /nfs/dbraw/zinc/15/62/74/571156274.db2.gz MLVUZVGUTKJGIQ-UHFFFAOYSA-N 1 0 366.494 3.526 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)cn1 ZINC000257283982 571158140 /nfs/dbraw/zinc/15/81/40/571158140.db2.gz PATSDCSTPMTKOS-IBGZPJMESA-N 1 0 360.465 3.698 40 0 FHABRO Cc1cccc(Nc2cc(C3CC[NH+](Cc4cn(C)cn4)CC3)ccn2)n1 ZINC000257288400 571158394 /nfs/dbraw/zinc/15/83/94/571158394.db2.gz PUAXBRWJQWXIRR-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1cccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3C2CCOCC2)c1 ZINC000257298130 571159339 /nfs/dbraw/zinc/15/93/39/571159339.db2.gz RKHTWZGMQNNVBS-RTWAWAEBSA-N 1 0 356.510 3.520 40 0 FHABRO Cc1ccc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)cn1 ZINC000257317710 571161329 /nfs/dbraw/zinc/16/13/29/571161329.db2.gz VKVQWHMJNOOOPA-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+](Cc3ccnn3C)C2)ccn1 ZINC000257332771 571162571 /nfs/dbraw/zinc/16/25/71/571162571.db2.gz XYOJAALUTNUDQY-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257338730 571162813 /nfs/dbraw/zinc/16/28/13/571162813.db2.gz YYSWVOPBLLKBOC-HNNXBMFYSA-N 1 0 366.494 3.760 40 0 FHABRO Cc1cnc(Nc2cc(C3C[NH2+]C3)nc(-c3ccccc3Cl)n2)s1 ZINC000147078612 571177594 /nfs/dbraw/zinc/17/75/94/571177594.db2.gz OYOQQFFKGAWGII-UHFFFAOYSA-N 1 0 357.870 3.992 40 0 FHABRO COc1ccc(OC)c(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c1 ZINC000072334248 571178691 /nfs/dbraw/zinc/17/86/91/571178691.db2.gz COJZALNOCPGTCI-UHFFFAOYSA-N 1 0 369.461 3.648 40 0 FHABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000072342509 571179799 /nfs/dbraw/zinc/17/97/99/571179799.db2.gz BXLVLBPVMABBGJ-SJLPKXTDSA-N 1 0 374.525 3.660 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072348745 571180217 /nfs/dbraw/zinc/18/02/17/571180217.db2.gz HFLDCLUZYQISMQ-SFHVURJKSA-N 1 0 369.484 3.936 40 0 FHABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)n2)c1 ZINC000072358128 571183218 /nfs/dbraw/zinc/18/32/18/571183218.db2.gz XEYQAETWEXXLJU-JOCHJYFZSA-N 1 0 362.477 3.752 40 0 FHABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)nc1 ZINC000072377638 571186656 /nfs/dbraw/zinc/18/66/56/571186656.db2.gz WKJSWGXEDHLMGG-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO O=C(NC1CCCC1)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)n[nH]1 ZINC000072380522 571188115 /nfs/dbraw/zinc/18/81/15/571188115.db2.gz PPQJNBDYKBQJOE-INIZCTEOSA-N 1 0 370.472 3.601 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390035 571189700 /nfs/dbraw/zinc/18/97/00/571189700.db2.gz CTNPLZQFQPCOKQ-INIZCTEOSA-N 1 0 350.422 3.520 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c(OC)c1 ZINC000072395174 571190268 /nfs/dbraw/zinc/19/02/68/571190268.db2.gz YVJXWOMERAEZSV-VQTJNVASSA-N 1 0 363.461 3.810 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@]3(CCn4c(-c5cccs5)cnc43)C2)n1 ZINC000306127917 571213381 /nfs/dbraw/zinc/21/33/81/571213381.db2.gz GKPBUFNKVWBFHO-FQEVSTJZSA-N 1 0 350.491 3.862 40 0 FHABRO c1coc(C[NH+]2CCC(c3nnc4ccc(-c5ccsc5)nn43)CC2)c1 ZINC000306129816 571213729 /nfs/dbraw/zinc/21/37/29/571213729.db2.gz INUQUGTULMRDJM-UHFFFAOYSA-N 1 0 365.462 3.825 40 0 FHABRO c1cc(C[NH+]2CCC3(Cc4ncc(-c5cccnc5)n4C3)CC2)cs1 ZINC000306131765 571213757 /nfs/dbraw/zinc/21/37/57/571213757.db2.gz KPFSYXBAVRQMRX-UHFFFAOYSA-N 1 0 350.491 3.845 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306130315 571213873 /nfs/dbraw/zinc/21/38/73/571213873.db2.gz JCFGZLOQLPSGAK-IBGZPJMESA-N 1 0 359.433 3.764 40 0 FHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000306130922 571213924 /nfs/dbraw/zinc/21/39/24/571213924.db2.gz JSRXKNRKPKDAGD-HHXXYDBFSA-N 1 0 352.469 3.749 40 0 FHABRO c1csc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306133397 571214220 /nfs/dbraw/zinc/21/42/20/571214220.db2.gz MKGSYRVBGPWLLM-SFHVURJKSA-N 1 0 357.504 3.848 40 0 FHABRO C[NH+](C)CC[C@@H]1Cn2cccc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000585095554 571219793 /nfs/dbraw/zinc/21/97/93/571219793.db2.gz WQZIEELICNWMAG-QGZVFWFLSA-N 1 0 373.928 3.684 40 0 FHABRO Cc1ccccc1C(=O)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000585099880 571221891 /nfs/dbraw/zinc/22/18/91/571221891.db2.gz OUEYJKYZWKGQEY-UHFFFAOYSA-N 1 0 363.505 3.908 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)o1 ZINC000585104666 571224007 /nfs/dbraw/zinc/22/40/07/571224007.db2.gz KRJMOUWYUGDRAH-HXUWFJFHSA-N 1 0 370.493 3.961 40 0 FHABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)c3cc(C)on3)[C@H]2C1 ZINC000585109529 571224905 /nfs/dbraw/zinc/22/49/05/571224905.db2.gz AUKBRNHGDXASKY-HKVPTBLXSA-N 1 0 353.466 3.529 40 0 FHABRO Clc1ccc(Cl)c(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1 ZINC000228935524 571278267 /nfs/dbraw/zinc/27/82/67/571278267.db2.gz OXCOYFXTGRHPRG-UHFFFAOYSA-N 1 0 363.252 3.801 40 0 FHABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247941995 571290944 /nfs/dbraw/zinc/29/09/44/571290944.db2.gz NQPZJKOBDPBIBW-JZXOWHBKSA-N 1 0 368.525 3.767 40 0 FHABRO C[NH+]1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000005986052 571295061 /nfs/dbraw/zinc/29/50/61/571295061.db2.gz JXEKOWRYVMPZMZ-DHZHZOJOSA-N 1 0 355.869 3.744 40 0 FHABRO CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000019525928 571303994 /nfs/dbraw/zinc/30/39/94/571303994.db2.gz WQBSKAJHYXKTIA-MTNREXPMSA-N 1 0 371.500 3.860 40 0 FHABRO COc1ccc(F)cc1[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000019559129 571304004 /nfs/dbraw/zinc/30/40/04/571304004.db2.gz FFQFCTWXWGLSBF-KUHUBIRLSA-N 1 0 369.440 3.624 40 0 FHABRO CCN(C(C)=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703920 571304504 /nfs/dbraw/zinc/30/45/04/571304504.db2.gz QCRZMWJQCQQKEM-IBGZPJMESA-N 1 0 374.525 3.849 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044933113 571306247 /nfs/dbraw/zinc/30/62/47/571306247.db2.gz WDVLMUIGDYQGME-XLIONFOSSA-N 1 0 352.478 3.785 40 0 FHABRO CNC(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3ccccc3)ccc2c1N ZINC000257330864 571321738 /nfs/dbraw/zinc/32/17/38/571321738.db2.gz XQIQNNYQANXSIA-INIZCTEOSA-N 1 0 366.490 3.575 40 0 FHABRO C[C@H]1[C@H](CC[NH+]2CCCC2)COCCN1C(=O)c1ccc2ccccc2c1 ZINC000306141799 203792282 /nfs/dbraw/zinc/79/22/82/203792282.db2.gz WGUCPEAUZWJCAI-PGRDOPGGSA-N 1 0 366.505 3.803 40 0 FHABRO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007612695 203817055 /nfs/dbraw/zinc/81/70/55/203817055.db2.gz OCGDEGMUPQOUNB-GFCCVEGCSA-N 1 0 367.342 3.782 40 0 FHABRO CCC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000001677765 204016662 /nfs/dbraw/zinc/01/66/62/204016662.db2.gz FZZRPUCBLCDIJU-UHFFFAOYSA-N 1 0 355.825 3.600 40 0 FHABRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Nc1cc(OC)cc2cccnc21 ZINC000001729631 204018535 /nfs/dbraw/zinc/01/85/35/204018535.db2.gz PCCURHYZQJRWEO-OAHLLOKOSA-N 1 0 358.486 3.875 40 0 FHABRO O=C(COc1ccc(Cl)cc1)OCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000004214735 204126924 /nfs/dbraw/zinc/12/69/24/204126924.db2.gz PLSMXIQMWYSHIV-UHFFFAOYSA-N 1 0 363.885 3.820 40 0 in-man FHABRO C[C@@H]1C[C@]2(C[C@H](C[NH+](C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 ZINC000005495948 204211939 /nfs/dbraw/zinc/21/19/39/204211939.db2.gz NEYOBFYBCKOYGK-FPDPHYFHSA-N 1 0 363.498 3.591 40 0 FHABRO COc1cc2cccnc2c(NC[C@@H](O)C[N@H+](CC(C)C)C2CCCC2)c1 ZINC000005834715 204227365 /nfs/dbraw/zinc/22/73/65/204227365.db2.gz OIDQIVBIYSEUSN-LJQANCHMSA-N 1 0 371.525 3.917 40 0 FHABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)C1CCCCC1 ZINC000035316091 204238289 /nfs/dbraw/zinc/23/82/89/204238289.db2.gz MZCGEMZXPXSKDC-UHFFFAOYSA-N 1 0 354.545 3.635 40 0 FHABRO CCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 ZINC000007261295 204292822 /nfs/dbraw/zinc/29/28/22/204292822.db2.gz FNNXQIUGELOBNI-UHFFFAOYSA-N 1 0 350.503 3.659 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000008429985 204330840 /nfs/dbraw/zinc/33/08/40/204330840.db2.gz VUGYRMPMGKYCMK-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CCOc1ccccc1C[NH+]1CCC(c2nn(C)c3ncccc23)CC1 ZINC000012276012 204446049 /nfs/dbraw/zinc/44/60/49/204446049.db2.gz QCLZZLWJSODPOP-UHFFFAOYSA-N 1 0 350.466 3.747 40 0 FHABRO Cc1cc2oc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc(=O)c2cc1C ZINC000012205120 204442965 /nfs/dbraw/zinc/44/29/65/204442965.db2.gz VIAKKOUCRUKDOC-GJZGRUSLSA-N 1 0 370.493 3.508 40 0 FHABRO COc1cccc2ccc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)nc21 ZINC000012363570 204455336 /nfs/dbraw/zinc/45/53/36/204455336.db2.gz NPGIDMDOVGPWKF-UHFFFAOYSA-N 1 0 366.436 3.866 40 0 FHABRO CCOc1ccc([N+]2=C3CCCCN3[C@](O)(c3ccccc3C)C2)cc1 ZINC000026441490 204851301 /nfs/dbraw/zinc/85/13/01/204851301.db2.gz WVHGBNZUNVCUKH-JOCHJYFZSA-N 1 0 351.470 3.654 40 0 FHABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462561 204929458 /nfs/dbraw/zinc/92/94/58/204929458.db2.gz HUUNDNKTPFWJAC-OAQYLSRUSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000038772846 205042550 /nfs/dbraw/zinc/04/25/50/205042550.db2.gz KMSXHIJLYUFSCZ-QKLQHJQFSA-N 1 0 360.542 3.863 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000083552597 205106555 /nfs/dbraw/zinc/10/65/55/205106555.db2.gz DGRVYHJMFCAMPT-ZDUSSCGKSA-N 1 0 355.276 3.548 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000046374933 205135446 /nfs/dbraw/zinc/13/54/46/205135446.db2.gz RXFNSUXNZJRQGM-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO O=C(CSCc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374656 205135911 /nfs/dbraw/zinc/13/59/11/205135911.db2.gz UHTUXYZUZYAHCD-UHFFFAOYSA-N 1 0 354.519 3.832 40 0 FHABRO COc1ccccc1C1(O)CCN(CC(C)(C)C[NH+]2CCC(C)CC2)CC1 ZINC000057822778 205245376 /nfs/dbraw/zinc/24/53/76/205245376.db2.gz YBYALKQTHSOEOG-UHFFFAOYSA-N 1 0 374.569 3.737 40 0 FHABRO COc1ccc(C[NH+]2CCC(CNC(=O)c3c(F)cccc3F)CC2)cc1 ZINC000063263042 205292613 /nfs/dbraw/zinc/29/26/13/205292613.db2.gz JFPKNJPVMRWNJH-UHFFFAOYSA-N 1 0 374.431 3.615 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2cccc(C)n2)n1 ZINC000072375345 205522386 /nfs/dbraw/zinc/52/23/86/205522386.db2.gz BQVYDXPYELVUPF-IBGZPJMESA-N 1 0 362.481 3.908 40 0 FHABRO C[C@H](CCc1ccco1)[NH2+]Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392370 205525462 /nfs/dbraw/zinc/52/54/62/205525462.db2.gz PHILHLAQKAMLND-CQSZACIVSA-N 1 0 365.412 3.634 40 0 FHABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cn1 ZINC000072349976 205515666 /nfs/dbraw/zinc/51/56/66/205515666.db2.gz FWJVDBASXKDNGB-UHFFFAOYSA-N 1 0 364.468 3.925 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106694 205822792 /nfs/dbraw/zinc/82/27/92/205822792.db2.gz RTVDHDBIACQCAB-NRFANRHFSA-N 1 0 359.510 3.562 40 0 FHABRO O=C1N(Cc2cccnc2)CCCC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000108525800 206033128 /nfs/dbraw/zinc/03/31/28/206033128.db2.gz FQOZWZDPIUVYIQ-IBGZPJMESA-N 1 0 353.510 3.643 40 0 FHABRO C[N@H+](C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072363 206119472 /nfs/dbraw/zinc/11/94/72/206119472.db2.gz CMDQADNQFUBQEP-RKRCHRGQSA-N 1 0 365.558 3.614 40 0 FHABRO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000000889904 206138389 /nfs/dbraw/zinc/13/83/89/206138389.db2.gz CBTSSZQMNDUFKB-GOSISDBHSA-N 1 0 353.486 3.592 40 0 FHABRO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004325757 206173735 /nfs/dbraw/zinc/17/37/35/206173735.db2.gz SUTXCIMFRCHMFF-MDZRGWNJSA-N 1 0 356.466 3.659 40 0 FHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(Br)cc1)C2 ZINC000004887180 206183477 /nfs/dbraw/zinc/18/34/77/206183477.db2.gz SCKFSSSZHLIFAQ-ALOPSCKCSA-N 1 0 365.315 3.974 40 0 FHABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccccc2)on1)N1CCCCC1 ZINC000008623653 206215617 /nfs/dbraw/zinc/21/56/17/206215617.db2.gz LATYXWRWYGGWBY-OALUTQOASA-N 1 0 367.493 3.512 40 0 biogenic,in-vitro FHABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3CCCc3ccccc3)n2)c1 ZINC000015674379 206316144 /nfs/dbraw/zinc/31/61/44/206316144.db2.gz CZLWINAISHOUPX-UXHICEINSA-N 1 0 363.461 3.786 40 0 biogenic,in-vitro FHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)C2CCC(F)(F)CC2)ccn1 ZINC000257281846 206613906 /nfs/dbraw/zinc/61/39/06/206613906.db2.gz ORFHSEBYDLBCNQ-QGZVFWFLSA-N 1 0 351.441 3.632 40 0 FHABRO CC[C@@H](C)[NH2+][C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096242791 132223906 /nfs/dbraw/zinc/22/39/06/132223906.db2.gz GAIUIXIDXPVBKL-SJLPKXTDSA-N 1 0 352.482 3.728 40 0 FHABRO c1cnc(N2CCC3(C[C@H]([NH2+]Cc4cccnc4)c4ccccc43)CC2)nc1 ZINC000096241497 132224056 /nfs/dbraw/zinc/22/40/56/132224056.db2.gz XYZHSNAHPRRQKC-NRFANRHFSA-N 1 0 371.488 3.644 40 0 FHABRO CNc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329009704 132372328 /nfs/dbraw/zinc/37/23/28/132372328.db2.gz LXIYYFRYTWBPKM-UHFFFAOYSA-N 1 0 366.387 3.525 40 0 FHABRO Cc1nc([C@H]2CCC[N@H+]2CC(C)C)nc2c1CCCN2Cc1ccccn1 ZINC000072373747 136144755 /nfs/dbraw/zinc/14/47/55/136144755.db2.gz XKGWUOXOLPNKQB-HXUWFJFHSA-N 1 0 365.525 3.926 40 0 FHABRO COc1ccc(CCNC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039749705 263399332 /nfs/dbraw/zinc/39/93/32/263399332.db2.gz AVRWMYIFVRKXOY-UHFFFAOYSA-N 1 0 366.505 3.575 40 0 FHABRO CCCC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000020121562 521246203 /nfs/dbraw/zinc/24/62/03/521246203.db2.gz PPNAPUAUUJDADF-HXUWFJFHSA-N 1 0 374.577 3.970 40 0 FHABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000078578674 523783581 /nfs/dbraw/zinc/78/35/81/523783581.db2.gz ZYRDSRWXNZYRDQ-UHFFFAOYSA-N 1 0 358.869 3.743 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)C1 ZINC000020493272 524233246 /nfs/dbraw/zinc/23/32/46/524233246.db2.gz RVXXUIKOBBBIOO-MRXNPFEDSA-N 1 0 366.461 3.577 40 0 FHABRO C[NH+]1CCN(c2c3ccccc3nc(Cl)c2CNCc2ccco2)CC1 ZINC000005017430 536417443 /nfs/dbraw/zinc/41/74/43/536417443.db2.gz OBBQFXLLAQGGHL-UHFFFAOYSA-N 1 0 370.884 3.523 40 0 FHABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 ZINC000514290087 560030397 /nfs/dbraw/zinc/03/03/97/560030397.db2.gz YDOOYNYGONPDRK-JENIJYKNSA-N 1 0 352.544 3.577 40 0 biogenic,in-vitro FHABRO Cc1ccc2c(n1)N(C)[C@H](CO)CC[N@@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000225493568 560042493 /nfs/dbraw/zinc/04/24/93/560042493.db2.gz PKBOKDGCFCYPIA-NRFANRHFSA-N 1 0 353.510 3.716 40 0 biogenic,in-vitro FHABRO CCCC[C@]12Oc3c4c(ccc3OC)C[C@@H]3C(=CC=C1OC)[C@@]42CC[N@@H+]3C ZINC000096316392 560054009 /nfs/dbraw/zinc/05/40/09/560054009.db2.gz VIVDQLUAHPGFOS-VSDWSMLSSA-N 1 0 367.489 3.985 40 0 biogenic,in-vitro FHABRO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2CCCC2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111780 560061271 /nfs/dbraw/zinc/06/12/71/560061271.db2.gz WBUYBPCSAVRHKX-FPOVZHCZSA-N 1 0 362.473 3.998 40 0 biogenic,in-vitro FHABRO c1csc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)c1 ZINC000096037097 570472111 /nfs/dbraw/zinc/47/21/11/570472111.db2.gz OUHORFSKKKPQFH-UHFFFAOYSA-N 1 0 364.518 3.706 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC000096047021 570473197 /nfs/dbraw/zinc/47/31/97/570473197.db2.gz GZSDCSKNJIVVJA-OAQYLSRUSA-N 1 0 370.518 3.885 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)s1 ZINC000096046665 570473324 /nfs/dbraw/zinc/47/33/24/570473324.db2.gz ZUXZHDDSPIOABM-UHFFFAOYSA-N 1 0 355.507 3.580 40 0 FHABRO Fc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047879 570473592 /nfs/dbraw/zinc/47/35/92/570473592.db2.gz VDSIUEWTRBAYFJ-FQEVSTJZSA-N 1 0 356.441 3.561 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cc1 ZINC000096049419 570474157 /nfs/dbraw/zinc/47/41/57/570474157.db2.gz GCWIGWPEYHWWON-UHFFFAOYSA-N 1 0 364.489 3.852 40 0 FHABRO COc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2=O)c1 ZINC000096050659 570474459 /nfs/dbraw/zinc/47/44/59/570474459.db2.gz QBRGDNOPCHCWNX-NRFANRHFSA-N 1 0 370.518 3.690 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)cc1 ZINC000096056435 570474481 /nfs/dbraw/zinc/47/44/81/570474481.db2.gz ZFKVYADPDHMPRF-NJDAHSKKSA-N 1 0 356.441 3.559 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COc3ccccn3)C2)cc1 ZINC000096057070 570474504 /nfs/dbraw/zinc/47/45/04/570474504.db2.gz KDSCUESDDWYUPH-RBBKRZOGSA-N 1 0 368.477 3.540 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CCC(CC(=O)N(C)C)CC3)CC2)cc1 ZINC000096049274 570474514 /nfs/dbraw/zinc/47/45/14/570474514.db2.gz NZXNDLSKFFOXTI-UHFFFAOYSA-N 1 0 358.526 3.946 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053254 570474556 /nfs/dbraw/zinc/47/45/56/570474556.db2.gz PMGJYDFPGRVGJS-QGZVFWFLSA-N 1 0 368.477 3.625 40 0 FHABRO Cc1cccc(CN2CC[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077346 570475129 /nfs/dbraw/zinc/47/51/29/570475129.db2.gz SNGOTXBYCFKBPD-QFIPXVFZSA-N 1 0 352.453 3.759 40 0 FHABRO Fc1ccc(CN2CCOC[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062402 570475147 /nfs/dbraw/zinc/47/51/47/570475147.db2.gz WQPRAKNFAVDELK-HXUWFJFHSA-N 1 0 360.498 3.612 40 0 FHABRO Cc1nc(CO[C@H]2CO[C@@]3(CC[N@H+](Cc4cccc(C)c4)C3)C2)cs1 ZINC000096107788 570475751 /nfs/dbraw/zinc/47/57/51/570475751.db2.gz WKLVCUUIDWEAKT-UXHICEINSA-N 1 0 358.507 3.710 40 0 FHABRO Cc1cccc(CO[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)n1 ZINC000096206194 570478900 /nfs/dbraw/zinc/47/89/00/570478900.db2.gz PGMUGGAVPSULSV-UXHICEINSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1nc(-c2ccccc2)nc2c1COC[C@]21CC[N@H+](Cc2cccnc2)C1 ZINC000096244652 570480030 /nfs/dbraw/zinc/48/00/30/570480030.db2.gz BXHGOTKHDZBRSN-HSZRJFAPSA-N 1 0 372.472 3.521 40 0 FHABRO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585283527 570493159 /nfs/dbraw/zinc/49/31/59/570493159.db2.gz ROULMTVREKICDO-IBGZPJMESA-N 1 0 371.880 3.644 40 0 FHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([N@H+](C)CCOc2ccccc2)[C@H]1O ZINC000585289946 570495457 /nfs/dbraw/zinc/49/54/57/570495457.db2.gz YAYDFYLKIXZFEN-KSEOMHKRSA-N 1 0 355.478 3.667 40 0 FHABRO C[N@H+](CCc1ccccn1)[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O ZINC000585290344 570495971 /nfs/dbraw/zinc/49/59/71/570495971.db2.gz VCBMMSCLFVRMSD-XUVXKRRUSA-N 1 0 360.885 3.570 40 0 FHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 ZINC000100750195 570507594 /nfs/dbraw/zinc/50/75/94/570507594.db2.gz JRDPLIJOZOLNLR-ZRCGQRJVSA-N 1 0 365.521 3.850 40 0 FHABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216401 570533281 /nfs/dbraw/zinc/53/32/81/570533281.db2.gz YSSHLLJSJYFFPZ-GOSISDBHSA-N 1 0 374.529 3.684 40 0 FHABRO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 ZINC000072369872 570546773 /nfs/dbraw/zinc/54/67/73/570546773.db2.gz XYCBSQIVDBWDEL-QGZVFWFLSA-N 1 0 365.433 3.743 40 0 FHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012119172 570720076 /nfs/dbraw/zinc/72/00/76/570720076.db2.gz FMQCTBHGIGJLOY-SFHVURJKSA-N 1 0 359.429 3.980 40 0 FHABRO CCc1c(C)sc2ncn(C3CC[NH+](Cc4ccncc4)CC3)c(=O)c12 ZINC000012145452 570722442 /nfs/dbraw/zinc/72/24/42/570722442.db2.gz QAZDCNRJUWMTJL-UHFFFAOYSA-N 1 0 368.506 3.561 40 0 FHABRO Cc1cccc(C2(O)CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)c1 ZINC000012147582 570723255 /nfs/dbraw/zinc/72/32/55/570723255.db2.gz COENFPJFUUIFFJ-UHFFFAOYSA-N 1 0 353.491 3.930 40 0 FHABRO COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc[nH+]cc3)c2C)C1=O ZINC000409245389 570745033 /nfs/dbraw/zinc/74/50/33/570745033.db2.gz SAZDONZKUQNCKZ-SFQUDFHCSA-N 1 0 371.462 3.562 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)c(C)c1C ZINC000012734482 570758578 /nfs/dbraw/zinc/75/85/78/570758578.db2.gz NRFMWHYHHPDKJB-UXHICEINSA-N 1 0 358.526 3.781 40 0 FHABRO NC(=O)C1CC[NH+](Cc2cc(-c3ccccc3)cnc2-c2ccncc2)CC1 ZINC000013267203 570776015 /nfs/dbraw/zinc/77/60/15/570776015.db2.gz OSCOGDVPOUVQCQ-UHFFFAOYSA-N 1 0 372.472 3.508 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373217 570842302 /nfs/dbraw/zinc/84/23/02/570842302.db2.gz XNXJVORMCRDQEW-UGKGYDQZSA-N 1 0 353.506 3.928 40 0 FHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(C)cn2)cc1 ZINC000019215708 570881637 /nfs/dbraw/zinc/88/16/37/570881637.db2.gz CNENXFOFFMTBJF-QIDMFYOTSA-N 1 0 352.478 3.518 40 0 FHABRO Cc1ccc2c(c1)CN(C(=O)c1cccs1)CC1(CC[NH+](C)CC1)O2 ZINC000019219529 570882530 /nfs/dbraw/zinc/88/25/30/570882530.db2.gz GVTHDXSKSHTQDS-UHFFFAOYSA-N 1 0 356.491 3.556 40 0 FHABRO CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019235248 570882969 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/nfs/dbraw/zinc/89/47/57/570894757.db2.gz KVCXOWUYMVOHDD-UHFFFAOYSA-N 1 0 368.525 3.541 40 0 FHABRO Cc1nn(C(C)C)c(C)c1CN1CC[NH+](CC2(c3ccccc3)CC2)CC1 ZINC000019577476 570894788 /nfs/dbraw/zinc/89/47/88/570894788.db2.gz FKBREBUBGOKIFU-UHFFFAOYSA-N 1 0 366.553 3.930 40 0 FHABRO COCCC[N@H+](Cc1ccccn1)Cc1ccc2cccc(OC)c2n1 ZINC000019593278 570895870 /nfs/dbraw/zinc/89/58/70/570895870.db2.gz PPYCJPOSCYIWEO-UHFFFAOYSA-N 1 0 351.450 3.677 40 0 FHABRO C[NH+](C)C1(CNC(=O)c2ccc3c(c2)nnn3C2CCCCC2)CCCC1 ZINC000019659412 570897237 /nfs/dbraw/zinc/89/72/37/570897237.db2.gz XKDPWROWSMZQEJ-UHFFFAOYSA-N 1 0 369.513 3.541 40 0 FHABRO COc1ccccc1CN1CCCc2c(C)nc(C3CC[NH+](C)CC3)nc21 ZINC000019705755 570898768 /nfs/dbraw/zinc/89/87/68/570898768.db2.gz WGLRXUMCWYFDSB-UHFFFAOYSA-N 1 0 366.509 3.556 40 0 FHABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019714578 570899498 /nfs/dbraw/zinc/89/94/98/570899498.db2.gz CXXVPWCXLOLEAF-KRWDZBQOSA-N 1 0 359.477 3.909 40 0 FHABRO Cc1ccc(C(=O)N[C@H](C)CC[NH+]2CCCCCC2)cc1N1CCCC1 ZINC000019716224 570899731 /nfs/dbraw/zinc/89/97/31/570899731.db2.gz SOARKECBZGVDFO-LJQANCHMSA-N 1 0 357.542 3.980 40 0 FHABRO Cc1nccn1CC1CC[NH+](Cc2cnc(-c3ccc(C)cc3)nc2)CC1 ZINC000019715866 570899848 /nfs/dbraw/zinc/89/98/48/570899848.db2.gz IVYOSHFWWYEAMQ-UHFFFAOYSA-N 1 0 361.493 3.869 40 0 FHABRO C[N@H+](CCn1cncc1-c1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC000019719683 570900900 /nfs/dbraw/zinc/90/09/00/570900900.db2.gz FCLRUUYUPCUVOV-UHFFFAOYSA-N 1 0 353.445 3.749 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1cccc2nccnc12 ZINC000022931798 570953293 /nfs/dbraw/zinc/95/32/93/570953293.db2.gz ZSAQNCGEPAUDBR-HXUWFJFHSA-N 1 0 361.493 3.511 40 0 FHABRO O=C(CSCc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114476 570972376 /nfs/dbraw/zinc/97/23/76/570972376.db2.gz ISMKSGDDHRAKPV-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C)CC2)cc1 ZINC000224530776 570992301 /nfs/dbraw/zinc/99/23/01/570992301.db2.gz PJHKMCUENSFQGP-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO COc1cc(OC)cc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224647203 570996080 /nfs/dbraw/zinc/99/60/80/570996080.db2.gz TTYAYGYVHOGAQE-UHFFFAOYSA-N 1 0 368.477 3.620 40 0 FHABRO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224802103 571001353 /nfs/dbraw/zinc/00/13/53/571001353.db2.gz JOWNMJIOGCYXKV-UHFFFAOYSA-N 1 0 366.505 3.848 40 0 FHABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224851236 571002771 /nfs/dbraw/zinc/00/27/71/571002771.db2.gz ATLYPPBWMFGZLG-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224990489 571009405 /nfs/dbraw/zinc/00/94/05/571009405.db2.gz AYCYBCUALMGSGP-GJZGRUSLSA-N 1 0 352.906 3.592 40 0 FHABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039761625 571023032 /nfs/dbraw/zinc/02/30/32/571023032.db2.gz UKDNOCXPEVUKGQ-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134157 571039203 /nfs/dbraw/zinc/03/92/03/571039203.db2.gz NEULACFYEOXMDG-PMACEKPBSA-N 1 0 359.473 3.863 40 0 FHABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@H]12 ZINC000306139891 571041532 /nfs/dbraw/zinc/04/15/32/571041532.db2.gz UDMSCPZDEJHFCF-GMAHTHKFSA-N 1 0 363.505 3.625 40 0 FHABRO Fc1ccc(C[NH+]2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cc1F ZINC000306142267 571042052 /nfs/dbraw/zinc/04/20/52/571042052.db2.gz WUUMPNRAWXHEAD-UHFFFAOYSA-N 1 0 369.419 3.660 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c(OC)c1 ZINC000225581208 571047218 /nfs/dbraw/zinc/04/72/18/571047218.db2.gz ANBDSRVIBSHBDZ-MRXNPFEDSA-N 1 0 365.543 3.645 40 0 FHABRO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036753024 571081831 /nfs/dbraw/zinc/08/18/31/571081831.db2.gz PJSVDKMZZISKCI-INIZCTEOSA-N 1 0 359.477 3.904 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329032833 571107836 /nfs/dbraw/zinc/10/78/36/571107836.db2.gz QQEODEBZAWJQQL-VQIMIIECSA-N 1 0 368.525 3.980 40 0 FHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC000098213780 571122100 /nfs/dbraw/zinc/12/21/00/571122100.db2.gz UBEVIRCFUVYYBY-UHFFFAOYSA-N 1 0 358.404 3.933 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812590 571123426 /nfs/dbraw/zinc/12/34/26/571123426.db2.gz HARNXYQCPWWREI-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)n1 ZINC000247866464 571125869 /nfs/dbraw/zinc/12/58/69/571125869.db2.gz IYSSJTVVBYFMJD-IBGZPJMESA-N 1 0 367.493 3.625 40 0 FHABRO COc1cccc(CN2Cc3cccn3[C@@H](COCc3ccccn3)C2)c1 ZINC000247922759 571126189 /nfs/dbraw/zinc/12/61/89/571126189.db2.gz YGEZRDGYKJVVPS-OAQYLSRUSA-N 1 0 363.461 3.665 40 0 FHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOc1cccnc1 ZINC000248056043 571127545 /nfs/dbraw/zinc/12/75/45/571127545.db2.gz UIOBHPMZTYQRKK-KRWDZBQOSA-N 1 0 373.522 3.687 40 0 FHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3cccc(F)c3)no1)C2 ZINC000257203985 571149402 /nfs/dbraw/zinc/14/94/02/571149402.db2.gz ASMZJKJGFCJXKG-RMYQPGKMSA-N 1 0 369.440 3.568 40 0 FHABRO Cc1cccc(Nc2cc(C3CC[NH+](Cc4ccnn4C)CC3)ccn2)n1 ZINC000257233299 571152438 /nfs/dbraw/zinc/15/24/38/571152438.db2.gz GORAWBAXCFGVOI-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO CCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)cc1C[NH+](C)C ZINC000257235896 571152922 /nfs/dbraw/zinc/15/29/22/571152922.db2.gz GZZWEXXHSNLHOC-YVNJGZBMSA-N 1 0 374.525 3.672 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)nc1 ZINC000257249719 571154024 /nfs/dbraw/zinc/15/40/24/571154024.db2.gz JJMUQAHHFBJBAY-SFHVURJKSA-N 1 0 363.465 3.831 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257257266 571155099 /nfs/dbraw/zinc/15/50/99/571155099.db2.gz KOVCXWTZWXMSJY-GOSISDBHSA-N 1 0 373.884 3.678 40 0 FHABRO Cc1ncsc1C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257267461 571156022 /nfs/dbraw/zinc/15/60/22/571156022.db2.gz MHKUCUPKARQAHQ-UHFFFAOYSA-N 1 0 366.494 3.760 40 0 FHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2F)n1 ZINC000257265574 571156029 /nfs/dbraw/zinc/15/60/29/571156029.db2.gz LZFXBUHWBUOTBV-SJFMBGHLSA-N 1 0 353.441 3.659 40 0 FHABRO CC(C)[NH+]1CCC(Cc2cc(N3CC4(CCCCC4)OC3=O)ncn2)CC1 ZINC000257286101 571158049 /nfs/dbraw/zinc/15/80/49/571158049.db2.gz PKGSTEPKQZBRFE-UHFFFAOYSA-N 1 0 372.513 3.799 40 0 FHABRO C[C@]12C[C@@H](c3ccc(F)cc3)[N@H+](Cc3ccccn3)[C@H]1CCCCC(=O)N2 ZINC000257288612 571158427 /nfs/dbraw/zinc/15/84/27/571158427.db2.gz PUXZYOPZTBZIQW-ONTIZHBOSA-N 1 0 367.468 3.985 40 0 FHABRO c1n[nH]cc1-c1cccc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)n1 ZINC000257290045 571158768 /nfs/dbraw/zinc/15/87/68/571158768.db2.gz QBHWIWXMUZNTDF-QFIPXVFZSA-N 1 0 371.444 3.593 40 0 FHABRO Cc1csc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000257304851 571159841 /nfs/dbraw/zinc/15/98/41/571159841.db2.gz SNJXCPHBUWGPQE-INIZCTEOSA-N 1 0 366.494 3.678 40 0 FHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]2[N@H+](C)CCC[C@@]21C ZINC000257330361 571162537 /nfs/dbraw/zinc/16/25/37/571162537.db2.gz XOAULSCAHMIOQW-JXFKEZNVSA-N 1 0 370.522 3.602 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccc(Cc4ccc(F)cc4)nc3)[C@@H]1CCC[NH2+]2 ZINC000257334487 571162887 /nfs/dbraw/zinc/16/28/87/571162887.db2.gz YGDZMRCYIYVMRC-IRLDBZIGSA-N 1 0 367.468 3.558 40 0 FHABRO CC(=O)N[C@@H]1C[C@H](c2ccccc2OCCC[NH+](C)C)O[C@@H]2CCCC[C@@H]12 ZINC000257339608 571163255 /nfs/dbraw/zinc/16/32/55/571163255.db2.gz ZCLVHJZXQKEEDF-RGMHLJPOSA-N 1 0 374.525 3.542 40 0 FHABRO Cc1cccc(-c2cccc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348766 571180296 /nfs/dbraw/zinc/18/02/96/571180296.db2.gz RVIAGKIXRJTLAM-HXUWFJFHSA-N 1 0 363.505 3.859 40 0 FHABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350507 571181805 /nfs/dbraw/zinc/18/18/05/571181805.db2.gz KILBUPKPLHTYPZ-KRWDZBQOSA-N 1 0 365.456 3.743 40 0 FHABRO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072353597 571181977 /nfs/dbraw/zinc/18/19/77/571181977.db2.gz DWCMGPDPUKQWQJ-LJQANCHMSA-N 1 0 373.504 3.851 40 0 FHABRO CCCN1CC[N@H+](CC2CC2)[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351565 571181998 /nfs/dbraw/zinc/18/19/98/571181998.db2.gz MCIJGXBZQIAJGY-JOCHJYFZSA-N 1 0 363.505 3.624 40 0 FHABRO O=C(CC1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355184 571182304 /nfs/dbraw/zinc/18/23/04/571182304.db2.gz JOTQBHNCVRSSGB-FQEVSTJZSA-N 1 0 369.553 3.907 40 0 FHABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2cccc(Cc3ccccc3)n2)CC1 ZINC000072358184 571183186 /nfs/dbraw/zinc/18/31/86/571183186.db2.gz LAONGVPNLUKESG-HSZRJFAPSA-N 1 0 363.505 3.820 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cn1 ZINC000072358124 571183295 /nfs/dbraw/zinc/18/32/95/571183295.db2.gz RPLOBJNDBGRDAS-OAQYLSRUSA-N 1 0 350.441 3.882 40 0 FHABRO COCC[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358510 571183499 /nfs/dbraw/zinc/18/34/99/571183499.db2.gz BXYLYBPDOPCOEB-OAHLLOKOSA-N 1 0 365.399 3.988 40 0 FHABRO COCC[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359358 571183924 /nfs/dbraw/zinc/18/39/24/571183924.db2.gz BHGLLPYLRIZMOS-HNNXBMFYSA-N 1 0 365.399 3.988 40 0 FHABRO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072359748 571184044 /nfs/dbraw/zinc/18/40/44/571184044.db2.gz NYDOGADTXGZKQP-QGZVFWFLSA-N 1 0 353.466 3.511 40 0 FHABRO Cc1cnc(Nc2cc([C@H]3CCC[N@@H+]3C3CCOCC3)nc(C)n2)s1 ZINC000072360368 571184404 /nfs/dbraw/zinc/18/44/04/571184404.db2.gz ZHLBXUFIICMHJX-MRXNPFEDSA-N 1 0 359.499 3.609 40 0 FHABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)n2)cc1 ZINC000072369929 571184868 /nfs/dbraw/zinc/18/48/68/571184868.db2.gz LCRHIQNXMYUPGT-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@@H+]1CC1CC1 ZINC000072370284 571184900 /nfs/dbraw/zinc/18/49/00/571184900.db2.gz MOMLBOTWLHMPOW-MRXNPFEDSA-N 1 0 372.534 3.694 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377422 571186068 /nfs/dbraw/zinc/18/60/68/571186068.db2.gz HFLVOVGDAWMXSC-INIZCTEOSA-N 1 0 364.428 3.529 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1F ZINC000072390043 571189694 /nfs/dbraw/zinc/18/96/94/571189694.db2.gz WGOSBQHAZUUDME-CQSZACIVSA-N 1 0 356.376 3.789 40 0 FHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@H+](CC(C)C)C1 ZINC000072395927 571190598 /nfs/dbraw/zinc/19/05/98/571190598.db2.gz YRVPSDOXTZOMRF-JOCHJYFZSA-N 1 0 369.509 3.758 40 0 FHABRO c1coc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306126641 571213046 /nfs/dbraw/zinc/21/30/46/571213046.db2.gz FASSEMJKYNJRFZ-SFHVURJKSA-N 1 0 359.433 3.764 40 0 FHABRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306126957 571213101 /nfs/dbraw/zinc/21/31/01/571213101.db2.gz FJZVLXOGDOPUTC-GOTSBHOMSA-N 1 0 371.484 3.878 40 0 FHABRO c1csc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124110 571213125 /nfs/dbraw/zinc/21/31/25/571213125.db2.gz BGHCPONYBNOAJD-KRWDZBQOSA-N 1 0 361.474 3.842 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1cccs1 ZINC000306129280 571213884 /nfs/dbraw/zinc/21/38/84/571213884.db2.gz HZESFJZYERNBNZ-ZWKOTPCHSA-N 1 0 369.515 3.693 40 0 FHABRO c1cncc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306129715 571213941 /nfs/dbraw/zinc/21/39/41/571213941.db2.gz IKVOQIJZPXQKLY-FQEVSTJZSA-N 1 0 370.460 3.566 40 0 FHABRO C[NH+](C)CC[C@H]1Cn2cccc2CN(C(=O)CCc2ccccc2Cl)C1 ZINC000585095553 571219784 /nfs/dbraw/zinc/21/97/84/571219784.db2.gz WQZIEELICNWMAG-KRWDZBQOSA-N 1 0 373.928 3.684 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)o1 ZINC000585103397 571223413 /nfs/dbraw/zinc/22/34/13/571223413.db2.gz AWVNBXTUUBEBEK-GOSISDBHSA-N 1 0 356.466 3.823 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)co1 ZINC000585105492 571223705 /nfs/dbraw/zinc/22/37/05/571223705.db2.gz XVTAPJISRVRBAD-HXUWFJFHSA-N 1 0 356.466 3.653 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cc2c1OCO2 ZINC000585104709 571223856 /nfs/dbraw/zinc/22/38/56/571223856.db2.gz LGQFZWGUOGADNZ-IBGZPJMESA-N 1 0 373.493 3.603 40 0 FHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104809 571224233 /nfs/dbraw/zinc/22/42/33/571224233.db2.gz SXELTGKCEFUTEE-TZIWHRDSSA-N 1 0 370.537 3.738 40 0 FHABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000585109526 571224742 /nfs/dbraw/zinc/22/47/42/571224742.db2.gz VZSJKUVLCHUQNZ-XYJFISCASA-N 1 0 355.507 3.576 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)C1 ZINC000247950273 571290915 /nfs/dbraw/zinc/29/09/15/571290915.db2.gz QMGLMUCBHRPOGI-VIZSFHNOSA-N 1 0 368.521 3.864 40 0 FHABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCCC[C@H]1c1ccn(C)n1 ZINC000248094234 571291089 /nfs/dbraw/zinc/29/10/89/571291089.db2.gz CUCHGCHVFURNDD-APWZRJJASA-N 1 0 355.482 3.945 40 0 FHABRO CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019695726 571304296 /nfs/dbraw/zinc/30/42/96/571304296.db2.gz YTWLLOURGVRFHS-GOSISDBHSA-N 1 0 353.510 3.966 40 0 FHABRO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)n[nH]2)cc1 ZINC000019704841 571304546 /nfs/dbraw/zinc/30/45/46/571304546.db2.gz DPEGXQZVHQGKTC-INIZCTEOSA-N 1 0 352.413 3.512 40 0 FHABRO COc1cc(C[N@@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3C)ccc1OC(C)C ZINC000019713706 571304828 /nfs/dbraw/zinc/30/48/28/571304828.db2.gz SHOCKDQIXWQUAC-IFMALSPDSA-N 1 0 374.525 3.848 40 0 FHABRO CC(C)(C)NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241778 571304996 /nfs/dbraw/zinc/30/49/96/571304996.db2.gz MFSIZTIUJGXUBO-UHFFFAOYSA-N 1 0 365.521 3.533 40 0 FHABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000252514278 571319705 /nfs/dbraw/zinc/31/97/05/571319705.db2.gz BRRGQCIVCSWALV-OAGGEKHMSA-N 1 0 356.274 3.508 40 0 FHABRO CCOc1ccc(-c2nnc([C@@H]([NH3+])Cc3ccccc3)[nH]2)cc1OCC ZINC000095534937 571331384 /nfs/dbraw/zinc/33/13/84/571331384.db2.gz KSZCRRSTDICFDG-INIZCTEOSA-N 1 0 352.438 3.512 40 0 FHABRO CC(C)C(=[NH2+])N[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003109673 204078569 /nfs/dbraw/zinc/07/85/69/204078569.db2.gz RICNYAJJWJTAOJ-LBPRGKRZSA-N 1 0 371.095 3.989 40 0 FHABRO CCN1c2ccccc2C[C@@](CC[NH+](CC)CC)(C(N)=O)c2ccccc21 ZINC000005389808 204206738 /nfs/dbraw/zinc/20/67/38/204206738.db2.gz JHDLOPHYLHYSIX-HSZRJFAPSA-N 1 0 365.521 3.856 40 0 FHABRO CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004886300 204173683 /nfs/dbraw/zinc/17/36/83/204173683.db2.gz VWBHMZCLPVINSK-AYHJJNSGSA-N 1 0 369.465 3.995 40 0 FHABRO CCn1c(COc2cccc(C)c2)nnc1SCC[NH+]1CCCCC1 ZINC000004936972 204178680 /nfs/dbraw/zinc/17/86/80/204178680.db2.gz IAWVCHSQKGEYOV-UHFFFAOYSA-N 1 0 360.527 3.763 40 0 FHABRO O=C(C[NH2+]CCc1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000035291627 204230329 /nfs/dbraw/zinc/23/03/29/204230329.db2.gz JTRNRFSWJNGKMH-UHFFFAOYSA-N 1 0 355.438 3.720 40 0 FHABRO O=C(COc1ccccc1F)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007696796 204303525 /nfs/dbraw/zinc/30/35/25/204303525.db2.gz UZFGRNRDEOJXGL-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000019719681 204704065 /nfs/dbraw/zinc/70/40/65/204704065.db2.gz CQFNADHZVVWXTF-GOSISDBHSA-N 1 0 353.445 3.922 40 0 FHABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000020460146 204724505 /nfs/dbraw/zinc/72/45/05/204724505.db2.gz NCXURNMKMGPOJD-IRXDYDNUSA-N 1 0 354.494 3.946 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189612 204816503 /nfs/dbraw/zinc/81/65/03/204816503.db2.gz JHRURTKGSYOUJK-MRXNPFEDSA-N 1 0 356.441 3.505 40 0 FHABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038834959 205043448 /nfs/dbraw/zinc/04/34/48/205043448.db2.gz IMSBDKWKWHEUBL-MRXNPFEDSA-N 1 0 372.440 3.694 40 0 FHABRO CC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038858348 205044769 /nfs/dbraw/zinc/04/47/69/205044769.db2.gz HRERUBWYSNPFQB-SFHVURJKSA-N 1 0 354.425 3.879 40 0 FHABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044873136 205112561 /nfs/dbraw/zinc/11/25/61/205112561.db2.gz VQXWYOLCEDMIAA-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO CCOc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044912583 205114657 /nfs/dbraw/zinc/11/46/57/205114657.db2.gz ZSJNCLHOTWCRLT-IBGZPJMESA-N 1 0 370.468 3.753 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933201 205114727 /nfs/dbraw/zinc/11/47/27/205114727.db2.gz CQWZUCZOPYPKQP-VQIMIIECSA-N 1 0 370.468 3.924 40 0 FHABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072359072 205517300 /nfs/dbraw/zinc/51/73/00/205517300.db2.gz KQISKZSOZKGPJP-INIZCTEOSA-N 1 0 353.466 3.511 40 0 FHABRO O=C(c1cscn1)N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096203015 205849379 /nfs/dbraw/zinc/84/93/79/205849379.db2.gz CEQIFNIFWCEYEI-UHFFFAOYSA-N 1 0 361.898 3.535 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(COc4ccc(F)cc4)o3)C2)o1 ZINC000049170392 206085919 /nfs/dbraw/zinc/08/59/19/206085919.db2.gz CMMZPYYKBVYNTP-AWEZNQCLSA-N 1 0 357.385 3.679 40 0 biogenic,in-vitro FHABRO C[C@H]([NH2+]C[C@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@@]3(C)[C@H](O)[C@@H]21)c1ccccc1 ZINC000004028412 206164120 /nfs/dbraw/zinc/16/41/20/206164120.db2.gz YSIINEYFHDVBCW-DOGNXMAMSA-N 1 0 369.505 3.622 40 0 FHABRO COc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000013152602 206301891 /nfs/dbraw/zinc/30/18/91/206301891.db2.gz FDLCAYMOZUDADK-YQQQUEKLSA-N 1 0 350.462 3.621 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1 ZINC000013993969 206306952 /nfs/dbraw/zinc/30/69/52/206306952.db2.gz KVEZMONWOHMJJR-NRFANRHFSA-N 1 0 356.441 3.965 40 0 FHABRO O=c1ccc(-c2cccnc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503452 206337016 /nfs/dbraw/zinc/33/70/16/206337016.db2.gz DRZONTVMFRCCDE-DOTOQJQBSA-N 1 0 363.486 3.591 40 0 biogenic,in-vitro FHABRO CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000216346236 206357623 /nfs/dbraw/zinc/35/76/23/206357623.db2.gz JOFNYKXKXRKBTK-NRFANRHFSA-N 1 0 366.505 3.805 40 0 FHABRO [NH3+]C[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218645992 206372620 /nfs/dbraw/zinc/37/26/20/206372620.db2.gz CCBRIIRNEXJGBX-ARFHVFGLSA-N 1 0 356.274 3.508 40 0 FHABRO [NH3+]C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218647020 206372847 /nfs/dbraw/zinc/37/28/47/206372847.db2.gz BRRGQCIVCSWALV-ARFHVFGLSA-N 1 0 356.274 3.508 40 0 FHABRO CCC[C@@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C2CCCCC2)CC1 ZINC000022928746 206395206 /nfs/dbraw/zinc/39/52/06/206395206.db2.gz MKMSPXRTXAXRHZ-SFHVURJKSA-N 1 0 362.566 3.610 40 0 FHABRO NC(=O)c1sc2ncccc2c1C1CC[NH+](Cc2ccccc2)CC1 ZINC000257264722 206611835 /nfs/dbraw/zinc/61/18/35/206611835.db2.gz LVUDKBNKANKQSC-UHFFFAOYSA-N 1 0 351.475 3.775 40 0 FHABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000328968057 132371807 /nfs/dbraw/zinc/37/18/07/132371807.db2.gz CXEKUFIAVUXAQN-IBGZPJMESA-N 1 0 368.525 3.766 40 0 FHABRO C[NH+](C)CCNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)n1 ZINC000328984136 132371979 /nfs/dbraw/zinc/37/19/79/132371979.db2.gz HLVBCRRJXQECGO-UHFFFAOYSA-N 1 0 365.525 3.625 40 0 FHABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NC(C)C)[nH+]1 ZINC000329071596 132373207 /nfs/dbraw/zinc/37/32/07/132373207.db2.gz ZRHAHIBNTQQBFB-UHFFFAOYSA-N 1 0 361.287 3.931 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(OC)c1 ZINC000039741289 263399341 /nfs/dbraw/zinc/39/93/41/263399341.db2.gz CTQAHFKIUSDUAS-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039754271 263399625 /nfs/dbraw/zinc/39/96/25/263399625.db2.gz DYKCNAPWCRAKGA-UHFFFAOYSA-N 1 0 370.468 3.705 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000089223553 518812897 /nfs/dbraw/zinc/81/28/97/518812897.db2.gz SUGRDCYKGDSWBM-AWEZNQCLSA-N 1 0 369.303 3.796 40 0 FHABRO CCCC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000020121564 521106193 /nfs/dbraw/zinc/10/61/93/521106193.db2.gz PPNAPUAUUJDADF-FQEVSTJZSA-N 1 0 374.577 3.970 40 0 FHABRO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000020041716 523999814 /nfs/dbraw/zinc/99/98/14/523999814.db2.gz CJGLRXSYQCXVCI-UHFFFAOYSA-N 1 0 368.477 3.572 40 0 FHABRO C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000222592136 568543182 /nfs/dbraw/zinc/54/31/82/568543182.db2.gz NITPBPHDNPWEKE-ZMYBRWDISA-N 1 0 361.474 3.857 40 0 FHABRO CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222818477 568567173 /nfs/dbraw/zinc/56/71/73/568567173.db2.gz DUGVFTPLYIFLSJ-RBUKOAKNSA-N 1 0 363.490 3.648 40 0 FHABRO CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222870216 568574371 /nfs/dbraw/zinc/57/43/71/568574371.db2.gz XOBJBZJATGLLBH-NRFANRHFSA-N 1 0 368.477 3.956 40 0 FHABRO O=C(CSCc1ccc(Cl)cc1F)NCCC[NH+]1CCCCC1 ZINC000223028508 568594271 /nfs/dbraw/zinc/59/42/71/568594271.db2.gz BAULIRMHTXIBDX-UHFFFAOYSA-N 1 0 358.910 3.705 40 0 FHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000223179859 568622592 /nfs/dbraw/zinc/62/25/92/568622592.db2.gz MMVREYJUZGZLCW-GOSISDBHSA-N 1 0 358.526 3.571 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSC3CCCC3)CC2)c1 ZINC000223270013 568632408 /nfs/dbraw/zinc/63/24/08/568632408.db2.gz FONCPPCGCWWTTB-UHFFFAOYSA-N 1 0 360.567 3.999 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC000096040086 570472626 /nfs/dbraw/zinc/47/26/26/570472626.db2.gz QBORJASJTLBCMH-PMACEKPBSA-N 1 0 358.507 3.731 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040222 570473149 /nfs/dbraw/zinc/47/31/49/570473149.db2.gz IMVTZFCPCLNRMK-UXHICEINSA-N 1 0 358.507 3.731 40 0 FHABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC000096047283 570473775 /nfs/dbraw/zinc/47/37/75/570473775.db2.gz XLEHPLDVWBRXCD-UHFFFAOYSA-N 1 0 361.536 3.723 40 0 FHABRO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 ZINC000096047538 570473789 /nfs/dbraw/zinc/47/37/89/570473789.db2.gz PQWOGPMKXQMBSI-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096049551 570474139 /nfs/dbraw/zinc/47/41/39/570474139.db2.gz TVCMRNMMMSHAMW-HXUWFJFHSA-N 1 0 357.523 3.571 40 0 FHABRO O=C(Nc1ccccc1)[C@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052248 570474466 /nfs/dbraw/zinc/47/44/66/570474466.db2.gz FCOXYCLYFWLNRY-GOSISDBHSA-N 1 0 356.491 3.615 40 0 FHABRO O=C([C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)N1CCCC1 ZINC000096079324 570475050 /nfs/dbraw/zinc/47/50/50/570475050.db2.gz OVDHDDKJTQOJLP-HXUWFJFHSA-N 1 0 364.489 3.923 40 0 FHABRO CC(=O)N1CCC2(CC1)C[C@H]([NH2+]Cc1ccsc1)c1ccccc1O2 ZINC000096079708 570475135 /nfs/dbraw/zinc/47/51/35/570475135.db2.gz LOLYXKQYFQZMGM-SFHVURJKSA-N 1 0 356.491 3.743 40 0 FHABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096071756 570475218 /nfs/dbraw/zinc/47/52/18/570475218.db2.gz RNBVFIMWOSYDCF-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO Fc1ccc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)cc1 ZINC000096062403 570475263 /nfs/dbraw/zinc/47/52/63/570475263.db2.gz WQPRAKNFAVDELK-FQEVSTJZSA-N 1 0 360.498 3.612 40 0 FHABRO Fc1ccccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096106774 570475725 /nfs/dbraw/zinc/47/57/25/570475725.db2.gz YPSIYXUFTPVHDE-IBGZPJMESA-N 1 0 356.441 3.561 40 0 FHABRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](N(C)Cc2ccccc2)[C@H]1O ZINC000585261339 570480582 /nfs/dbraw/zinc/48/05/82/570480582.db2.gz SDFRFHHOLJJFRR-DNVJHFABSA-N 1 0 352.522 3.921 40 0 FHABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216403 570533344 /nfs/dbraw/zinc/53/33/44/570533344.db2.gz FSTUIIBEZZWSAD-GOSISDBHSA-N 1 0 374.529 3.686 40 0 FHABRO Nc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)ccn1 ZINC000072357461 570542661 /nfs/dbraw/zinc/54/26/61/570542661.db2.gz QMCXMSTYYGFBRX-IBGZPJMESA-N 1 0 361.493 3.866 40 0 FHABRO CC(C)(C)OC(=O)N1CCC2(CC[C@@H](COCc3ccccc3)[NH2+]2)CC1 ZINC000095829415 570636833 /nfs/dbraw/zinc/63/68/33/570636833.db2.gz IBPUOPZDGOEOMN-SFHVURJKSA-N 1 0 360.498 3.725 40 0 FHABRO Cc1ccc(C[N@H+](Cc2cccn2-c2ccc(C)cn2)C[C@H](C)O)s1 ZINC000012147977 570723271 /nfs/dbraw/zinc/72/32/71/570723271.db2.gz QBYMVZVVJJSUQW-INIZCTEOSA-N 1 0 355.507 3.934 40 0 FHABRO CCN(CC)C(=O)C[NH+]1CCC2(C=Cc3cc(Cl)c(C)cc3O2)CC1 ZINC000012187973 570725259 /nfs/dbraw/zinc/72/52/59/570725259.db2.gz CAEFYDCEKJPVCP-UHFFFAOYSA-N 1 0 362.901 3.757 40 0 FHABRO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000012198418 570726847 /nfs/dbraw/zinc/72/68/47/570726847.db2.gz YJUBIOYIVGXTOR-HNNXBMFYSA-N 1 0 359.426 3.575 40 0 FHABRO Cc1cccc(Nc2nc(CC(=O)N(C)CC[NH+]3CCCCC3)cs2)c1 ZINC000012238152 570730297 /nfs/dbraw/zinc/73/02/97/570730297.db2.gz XPPJCDFSTFOOPQ-UHFFFAOYSA-N 1 0 372.538 3.682 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCCC2 ZINC000012292609 570732351 /nfs/dbraw/zinc/73/23/51/570732351.db2.gz VVDQKUXSOXMJEU-JOCHJYFZSA-N 1 0 369.480 3.722 40 0 FHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1C ZINC000012293490 570732772 /nfs/dbraw/zinc/73/27/72/570732772.db2.gz TVUCETDCRVUAOQ-RTWAWAEBSA-N 1 0 367.489 3.688 40 0 FHABRO O[C@@H](C[N@H+]1CC=C(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 ZINC000012330562 570737437 /nfs/dbraw/zinc/73/74/37/570737437.db2.gz VLKIBWHKOJQQJN-FQEVSTJZSA-N 1 0 369.436 3.810 40 0 FHABRO Cc1ccc2scc(CC(=O)N(CC[NH+](C)C)Cc3cccnc3)c2c1 ZINC000012360928 570738694 /nfs/dbraw/zinc/73/86/94/570738694.db2.gz QXWGXXXOQRKLNT-UHFFFAOYSA-N 1 0 367.518 3.738 40 0 FHABRO FC(F)(F)c1cc(C2CC[NH+](Cc3cccs3)CC2)nc2ncnn21 ZINC000013266461 570775848 /nfs/dbraw/zinc/77/58/48/570775848.db2.gz WMFRGNXZTYVYPS-UHFFFAOYSA-N 1 0 367.400 3.584 40 0 FHABRO COc1ccccc1/C=C/C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000015139968 570834766 /nfs/dbraw/zinc/83/47/66/570834766.db2.gz WKISSRFVYGJXSB-OUKQBFOZSA-N 1 0 350.462 3.621 40 0 FHABRO CC1(C)CCCC(C)(C)[NH+]1C[C@H](O)COCCOc1ccc(F)cc1 ZINC000041690233 570859402 /nfs/dbraw/zinc/85/94/02/570859402.db2.gz YNNYDKWLKIMXDU-KRWDZBQOSA-N 1 0 353.478 3.625 40 0 FHABRO CSCC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1coc2ccc(C)cc2c1=O ZINC000019219849 570882252 /nfs/dbraw/zinc/88/22/52/570882252.db2.gz UXJIEXJRIZVFQR-ZWKOTPCHSA-N 1 0 372.534 3.503 40 0 FHABRO Brc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019361748 570887491 /nfs/dbraw/zinc/88/74/91/570887491.db2.gz RYOUYIJYULFNQK-SQNIBIBYSA-N 1 0 361.327 3.779 40 0 FHABRO OCC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019373575 570887917 /nfs/dbraw/zinc/88/79/17/570887917.db2.gz WLUGVQIVOLACTM-UXHICEINSA-N 1 0 352.478 3.510 40 0 FHABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3nn(C)c4nccnc34)C2)c1 ZINC000019450875 570889245 /nfs/dbraw/zinc/88/92/45/570889245.db2.gz LOBIIJOYXGJJKQ-KRWDZBQOSA-N 1 0 365.481 3.530 40 0 FHABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019551535 570892593 /nfs/dbraw/zinc/89/25/93/570892593.db2.gz FPKATSSZPDMEBI-INIZCTEOSA-N 1 0 351.450 3.960 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(OC)c1 ZINC000019552291 570892642 /nfs/dbraw/zinc/89/26/42/570892642.db2.gz LAHDYYNMZFHNOU-INIZCTEOSA-N 1 0 351.450 3.960 40 0 FHABRO CN(C(=O)[C@@H]1CC=CCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586702 570895164 /nfs/dbraw/zinc/89/51/64/570895164.db2.gz FVRJNBSBXUXQIG-BWDFOLQRSA-N 1 0 354.494 3.665 40 0 FHABRO CC[C@@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654563 570896685 /nfs/dbraw/zinc/89/66/85/570896685.db2.gz XPRSNXVLEHABDQ-SFHVURJKSA-N 1 0 357.502 3.535 40 0 FHABRO Cc1c(-c2cncn2CCC[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000019654438 570896724 /nfs/dbraw/zinc/89/67/24/570896724.db2.gz FZMYXHGQEJTMAH-UHFFFAOYSA-N 1 0 363.509 3.979 40 0 FHABRO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660117 570897352 /nfs/dbraw/zinc/89/73/52/570897352.db2.gz SMHRNQRLPHTDOM-QGZVFWFLSA-N 1 0 354.416 3.771 40 0 FHABRO C[NH+](C)CCC1CCN(C(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)CC1 ZINC000019664319 570897760 /nfs/dbraw/zinc/89/77/60/570897760.db2.gz KEPYCRPVSPLGEJ-MRXNPFEDSA-N 1 0 361.530 3.630 40 0 FHABRO C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000019663389 570897794 /nfs/dbraw/zinc/89/77/94/570897794.db2.gz GJYXTDRLPDTDKE-GOSISDBHSA-N 1 0 368.868 3.763 40 0 FHABRO COc1cccc([C@H]2CCC[N@@H+]2Cc2sc(N3CCOCC3)nc2C)c1 ZINC000019715763 570899857 /nfs/dbraw/zinc/89/98/57/570899857.db2.gz DGPKSPGLGILZIY-GOSISDBHSA-N 1 0 373.522 3.634 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000020490484 570918097 /nfs/dbraw/zinc/91/80/97/570918097.db2.gz SNFPUROPGGJRBV-INIZCTEOSA-N 1 0 366.461 3.942 40 0 FHABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224008302 570974626 /nfs/dbraw/zinc/97/46/26/570974626.db2.gz WTOVEHHXEUQIHG-UHFFFAOYSA-N 1 0 352.478 3.708 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccccc3)cc2)C1 ZINC000224332778 570985437 /nfs/dbraw/zinc/98/54/37/570985437.db2.gz LSRFHJRKSXRTDX-GOSISDBHSA-N 1 0 352.478 3.727 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)cc1 ZINC000224531816 570992334 /nfs/dbraw/zinc/99/23/34/570992334.db2.gz NHBVAOXYDDXEPE-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO C[NH+]1CCC(Oc2ccc(NC(=O)CCc3ccccc3F)cc2)CC1 ZINC000224632544 570995538 /nfs/dbraw/zinc/99/55/38/570995538.db2.gz ISSVFIYSCKSPPL-UHFFFAOYSA-N 1 0 356.441 3.870 40 0 FHABRO O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000224801631 571001297 /nfs/dbraw/zinc/00/12/97/571001297.db2.gz OYKAKZQQPXVVJV-UHFFFAOYSA-N 1 0 360.860 3.934 40 0 FHABRO COc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225017095 571010543 /nfs/dbraw/zinc/01/05/43/571010543.db2.gz QZMXYQXOUUUCTL-SJLPKXTDSA-N 1 0 370.468 3.924 40 0 FHABRO S=C(Nc1ccccc1Cl)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225210072 571021947 /nfs/dbraw/zinc/02/19/47/571021947.db2.gz UNMUESQFYPMLLI-UHFFFAOYSA-N 1 0 371.937 3.822 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)c1 ZINC000039758815 571026245 /nfs/dbraw/zinc/02/62/45/571026245.db2.gz UROGVHBARYHSIS-UHFFFAOYSA-N 1 0 366.461 3.617 40 0 FHABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1Cl ZINC000225399469 571033296 /nfs/dbraw/zinc/03/32/96/571033296.db2.gz FZNZTOWUTPUAGJ-UHFFFAOYSA-N 1 0 355.935 3.901 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4ccsc4)C[C@@H]2C3)cc1 ZINC000306138487 571040770 /nfs/dbraw/zinc/04/07/70/571040770.db2.gz RYSZQEBCAVUKDB-ZWKOTPCHSA-N 1 0 365.502 3.925 40 0 FHABRO Fc1ccccc1C[N@@H+]1CC[C@@]2(CN(Cc3ccccn3)c3cccnc32)C1 ZINC000306139289 571041091 /nfs/dbraw/zinc/04/10/91/571041091.db2.gz SUBNZJOZMQSWOX-QHCPKHFHSA-N 1 0 374.463 3.780 40 0 FHABRO Cc1cccc(COCC[C@H]2CO[C@H]3C[N@H+](Cc4ccccc4F)C[C@@H]23)n1 ZINC000306138681 571041104 /nfs/dbraw/zinc/04/11/04/571041104.db2.gz SEDWGPUHQCJHQY-VCOUNFBDSA-N 1 0 370.468 3.583 40 0 FHABRO Cc1cc(OC(=O)[C@H]2CC[C@H](C[NH3+])CC2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000101325454 571050679 /nfs/dbraw/zinc/05/06/79/571050679.db2.gz JWWMDJINDCECMT-GASCZTMLSA-N 1 0 369.461 3.651 40 0 FHABRO CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225702795 571057256 /nfs/dbraw/zinc/05/72/56/571057256.db2.gz SPXFOWFURWNOOG-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000033222356 571062795 /nfs/dbraw/zinc/06/27/95/571062795.db2.gz GNNHVBUWGCBMHA-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C)[nH+]1 ZINC000328989754 571106565 /nfs/dbraw/zinc/10/65/65/571106565.db2.gz IMJMWYONHCNZIU-UHFFFAOYSA-N 1 0 352.360 3.678 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C[C@@H]2C)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329032829 571107831 /nfs/dbraw/zinc/10/78/31/571107831.db2.gz QQEODEBZAWJQQL-LPHOPBHVSA-N 1 0 368.525 3.980 40 0 FHABRO Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4ccsc4)[C@H]3C2)n1 ZINC000247896733 571126311 /nfs/dbraw/zinc/12/63/11/571126311.db2.gz XODIJQKKRQVUFQ-IHPCNDPISA-N 1 0 358.507 3.648 40 0 FHABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 ZINC000257212934 571150881 /nfs/dbraw/zinc/15/08/81/571150881.db2.gz CFMOVGUOYCPGNB-AWEZNQCLSA-N 1 0 369.419 3.600 40 0 FHABRO Cc1csc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000257304852 571159854 /nfs/dbraw/zinc/15/98/54/571159854.db2.gz SNJXCPHBUWGPQE-MRXNPFEDSA-N 1 0 366.494 3.678 40 0 FHABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)c1 ZINC000257320708 571161635 /nfs/dbraw/zinc/16/16/35/571161635.db2.gz VYEFIRNNGRIYSB-CQSZACIVSA-N 1 0 352.413 3.682 40 0 FHABRO Cc1cccnc1Nc1nccnc1[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257338957 571162846 /nfs/dbraw/zinc/16/28/46/571162846.db2.gz YZPSRGGCURCEMS-HNNXBMFYSA-N 1 0 366.494 3.760 40 0 FHABRO Cc1csc(Nc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)n1 ZINC000257333864 571162935 /nfs/dbraw/zinc/16/29/35/571162935.db2.gz YDKSNTAYBCEBBU-UHFFFAOYSA-N 1 0 358.511 3.949 40 0 FHABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000257338958 571162989 /nfs/dbraw/zinc/16/29/89/571162989.db2.gz YZPSRGGCURCEMS-OAHLLOKOSA-N 1 0 366.494 3.760 40 0 FHABRO Cc1cccc(C[NH+]2CCC(c3cncc(Nc4cnccn4)n3)CC2)c1 ZINC000257340249 571163286 /nfs/dbraw/zinc/16/32/86/571163286.db2.gz ZFERSGYUDXQRIX-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(Br)c2)CC1 ZINC000035942496 571174350 /nfs/dbraw/zinc/17/43/50/571174350.db2.gz VUVQLTINLBNMJM-UHFFFAOYSA-N 1 0 369.303 3.938 40 0 FHABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000072337766 571179261 /nfs/dbraw/zinc/17/92/61/571179261.db2.gz BESPTAZEFHQBGC-WMZOPIPTSA-N 1 0 373.497 3.762 40 0 FHABRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)c1 ZINC000072340974 571179389 /nfs/dbraw/zinc/17/93/89/571179389.db2.gz HYMIIRVRJSDLIF-ZEYPLWLESA-N 1 0 367.489 3.824 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345944 571179937 /nfs/dbraw/zinc/17/99/37/571179937.db2.gz IJWSPPVTEOHGSZ-QGZVFWFLSA-N 1 0 363.440 3.640 40 0 FHABRO CCN(CC)C(=O)C[NH+]1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072348755 571180333 /nfs/dbraw/zinc/18/03/33/571180333.db2.gz OKWDYNRQGNZQAG-UHFFFAOYSA-N 1 0 365.521 3.720 40 0 FHABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072350506 571181630 /nfs/dbraw/zinc/18/16/30/571181630.db2.gz KILBUPKPLHTYPZ-QGZVFWFLSA-N 1 0 365.456 3.743 40 0 FHABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072358578 571183542 /nfs/dbraw/zinc/18/35/42/571183542.db2.gz LQNFRZZWVXJNRM-SFHVURJKSA-N 1 0 360.461 3.927 40 0 FHABRO CCn1cc(C[NH+]2CCC(c3cccc(Nc4cc(C)on4)n3)CC2)cn1 ZINC000072376172 571185678 /nfs/dbraw/zinc/18/56/78/571185678.db2.gz SFHBIKUDAXPWQD-UHFFFAOYSA-N 1 0 366.469 3.718 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1cccs1 ZINC000306129279 571213532 /nfs/dbraw/zinc/21/35/32/571213532.db2.gz HZESFJZYERNBNZ-ROUUACIJSA-N 1 0 369.515 3.693 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1cccs1 ZINC000306129278 571213615 /nfs/dbraw/zinc/21/36/15/571213615.db2.gz HZESFJZYERNBNZ-QZTJIDSGSA-N 1 0 369.515 3.693 40 0 FHABRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100295 571221469 /nfs/dbraw/zinc/22/14/69/571221469.db2.gz JUEBDCDWFSSSRP-LJQANCHMSA-N 1 0 368.880 3.586 40 0 FHABRO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103147 571223423 /nfs/dbraw/zinc/22/34/23/571223423.db2.gz DOKSTYXWDQIQNN-CTNGQTDRSA-N 1 0 370.537 3.738 40 0 FHABRO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000248125526 571291180 /nfs/dbraw/zinc/29/11/80/571291180.db2.gz WUTXIZZJCLRCEZ-IIBYNOLFSA-N 1 0 368.525 3.611 40 0 FHABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000009062974 571302375 /nfs/dbraw/zinc/30/23/75/571302375.db2.gz RYJGRIVTKAVZAF-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000012291608 571303491 /nfs/dbraw/zinc/30/34/91/571303491.db2.gz ZPEYWJQWUCUFET-OXQOHEQNSA-N 1 0 358.526 3.777 40 0 FHABRO CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019704193 571304487 /nfs/dbraw/zinc/30/44/87/571304487.db2.gz ULYFOBHGKXTIAR-SFHVURJKSA-N 1 0 374.525 3.502 40 0 FHABRO COc1ccccc1/C=C/C[N@@H+]1CC[C@@]2(C)[C@@H]1CCCCCN2C(C)=O ZINC000019713324 571304659 /nfs/dbraw/zinc/30/46/59/571304659.db2.gz IZDNNASDIAKKEU-QOWAQPQZSA-N 1 0 356.510 3.964 40 0 FHABRO FC(F)(F)c1ccccc1Nc1ncnc2c1cnn2C1CC[NH2+]CC1 ZINC000230481264 571307921 /nfs/dbraw/zinc/30/79/21/571307921.db2.gz KJYUGAFEJQBXGO-UHFFFAOYSA-N 1 0 362.359 3.513 40 0 FHABRO Cc1cc(-c2cnc(N)nc2)cc(C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000019691960 571327140 /nfs/dbraw/zinc/32/71/40/571327140.db2.gz VQVSPVDEHACJSF-UHFFFAOYSA-N 1 0 359.477 3.809 40 0 FHABRO O=C(Cc1cccs1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257339205 210002077 /nfs/dbraw/zinc/00/20/77/210002077.db2.gz ZARKQFDJUDKITJ-LJQANCHMSA-N 1 0 355.507 3.645 40 0 FHABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257343753 210005498 /nfs/dbraw/zinc/00/54/98/210005498.db2.gz ZUGRSVJKTVIBIP-LJQANCHMSA-N 1 0 362.481 3.908 40 0 FHABRO CC(C)[NH+]1CCC(c2cncc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257344052 210004710 /nfs/dbraw/zinc/00/47/10/210004710.db2.gz ZVNZSVRLPXAXBO-UHFFFAOYSA-N 1 0 358.486 3.724 40 0 FHABRO CN(C)C(=O)c1sc2nccnc2c1C1CC[NH+](C2CCCC2)CC1 ZINC000257254971 209979347 /nfs/dbraw/zinc/97/93/47/209979347.db2.gz KFNYMGCVDKMJCZ-UHFFFAOYSA-N 1 0 358.511 3.515 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 ZINC000224335076 209781893 /nfs/dbraw/zinc/78/18/93/209781893.db2.gz GPTPEMCSZJGGAW-KRWDZBQOSA-N 1 0 370.468 3.866 40 0 FHABRO Cc1c(F)cccc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108531831 209288437 /nfs/dbraw/zinc/28/84/37/209288437.db2.gz BMRQTRNRPIWTRB-SFHVURJKSA-N 1 0 370.472 3.550 40 0 FHABRO COc1c(C)cccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750296 209218201 /nfs/dbraw/zinc/21/82/01/209218201.db2.gz KXVXIPDWBXKBDR-QKLQHJQFSA-N 1 0 367.493 3.635 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000098213810 209207010 /nfs/dbraw/zinc/20/70/10/209207010.db2.gz RQMIIWSSYIGKLM-UHFFFAOYSA-N 1 0 358.404 3.976 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216131 209135614 /nfs/dbraw/zinc/13/56/14/209135614.db2.gz AVXBVSFSBGYLSI-QHCPKHFHSA-N 1 0 365.521 3.887 40 0 FHABRO O=C(c1cscn1)N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096203017 209133481 /nfs/dbraw/zinc/13/34/81/209133481.db2.gz QHKANBYJSBGTIB-UHFFFAOYSA-N 1 0 361.898 3.535 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)cs1 ZINC000096106139 209113259 /nfs/dbraw/zinc/11/32/59/209113259.db2.gz ZRZSGNVTKCBVIY-LJQANCHMSA-N 1 0 358.507 3.731 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)cc1 ZINC000096100291 209111286 /nfs/dbraw/zinc/11/12/86/209111286.db2.gz KOBACNAFXYSRGS-NRFANRHFSA-N 1 0 364.489 3.533 40 0 FHABRO COCC[NH+]1CCC2(C[C@H](NCc3csc(C)n3)c3ccccc32)CC1 ZINC000096079000 209108787 /nfs/dbraw/zinc/10/87/87/209108787.db2.gz POSNRBHBWGCZAU-FQEVSTJZSA-N 1 0 371.550 3.666 40 0 FHABRO O=C(c1cscn1)N1CC[C@@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071072 209106098 /nfs/dbraw/zinc/10/60/98/209106098.db2.gz INRJOWJJGAUNQR-SFHVURJKSA-N 1 0 361.898 3.677 40 0 FHABRO CC[NH+](CC)CCCN(C(C)=O)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005657014 207110460 /nfs/dbraw/zinc/11/04/60/207110460.db2.gz FZPIMZDJRNFOPS-SFHVURJKSA-N 1 0 361.530 3.519 40 0 FHABRO Cc1cccc2c(C(=O)N[C@H](C)C[NH+]3CCCC3)cc(-c3ccccn3)nc12 ZINC000035316657 207131890 /nfs/dbraw/zinc/13/18/90/207131890.db2.gz PVJNWOMEJKYDEU-QGZVFWFLSA-N 1 0 374.488 3.819 40 0 FHABRO Cc1ccc(SCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008430273 207233557 /nfs/dbraw/zinc/23/35/57/207233557.db2.gz MFIGCJSVPWXDBN-UHFFFAOYSA-N 1 0 354.519 3.999 40 0 FHABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc1Cl ZINC000008430044 207233904 /nfs/dbraw/zinc/23/39/04/207233904.db2.gz DDFUCWWQDBMFPV-UHFFFAOYSA-N 1 0 372.896 3.939 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C ZINC000010280805 207298547 /nfs/dbraw/zinc/29/85/47/207298547.db2.gz ZDEQOJPMTPVKAA-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO COc1ccc2cc(C[N@H+](C)[C@@H](C)Cc3ccccn3)c(OC)nc2c1 ZINC000012148176 207343703 /nfs/dbraw/zinc/34/37/03/207343703.db2.gz KDPUDVQJKPYIQY-HNNXBMFYSA-N 1 0 351.450 3.710 40 0 FHABRO OC1(c2ccc(F)cc2)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012147690 207344024 /nfs/dbraw/zinc/34/40/24/207344024.db2.gz YZMBZDMBAJXLKA-UHFFFAOYSA-N 1 0 357.454 3.761 40 0 FHABRO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2C)C[C@@H](C)O)cc1OC ZINC000012185540 207344731 /nfs/dbraw/zinc/34/47/31/207344731.db2.gz OWPZRJNRXHONRH-OAHLLOKOSA-N 1 0 368.477 3.877 40 0 FHABRO CCc1ncc(C[NH+]2CCC(c3nc4ccc(F)cc4cc3N)CC2)cn1 ZINC000012087927 207337649 /nfs/dbraw/zinc/33/76/49/207337649.db2.gz WQMLTBCKTZYWSS-UHFFFAOYSA-N 1 0 365.456 3.688 40 0 FHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000012119256 207339835 /nfs/dbraw/zinc/33/98/35/207339835.db2.gz QYAWVMGXGZWVDK-SFHVURJKSA-N 1 0 362.429 3.707 40 0 FHABRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000012148562 207343320 /nfs/dbraw/zinc/34/33/20/207343320.db2.gz NOHCKYNWPQTKGP-MRXNPFEDSA-N 1 0 357.523 3.564 40 0 FHABRO COc1cc2c(cc1C[NH+]1CCC(O)(c3ccccc3F)CC1)CCC2 ZINC000012240578 207352063 /nfs/dbraw/zinc/35/20/63/207352063.db2.gz OYNNEOXSBQGEFW-UHFFFAOYSA-N 1 0 355.453 3.807 40 0 FHABRO CCc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012276672 207354572 /nfs/dbraw/zinc/35/45/72/207354572.db2.gz VRXGGAOPRSYOAS-UHFFFAOYSA-N 1 0 363.465 3.777 40 0 FHABRO COc1ccc(CN2Cc3ccccc3O[C@@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407694 207372560 /nfs/dbraw/zinc/37/25/60/207372560.db2.gz HDLGSJIMOLOHNW-FQEVSTJZSA-N 1 0 354.494 3.637 40 0 FHABRO COc1cccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)c1 ZINC000012329719 207363299 /nfs/dbraw/zinc/36/32/99/207363299.db2.gz ZPAAPPKZXUFBGA-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(Cl)cc1 ZINC000012329739 207363868 /nfs/dbraw/zinc/36/38/68/207363868.db2.gz AFKAZPMURQQVBP-RBUKOAKNSA-N 1 0 373.880 3.724 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000012365382 207365973 /nfs/dbraw/zinc/36/59/73/207365973.db2.gz HQJVSZRXLCSHRS-QHCPKHFHSA-N 1 0 364.489 3.505 40 0 FHABRO O=C(NCc1ccccc1)[C@@]1(Cc2ccccc2-c2cccnc2)CC[NH2+]C1 ZINC000019372652 207666166 /nfs/dbraw/zinc/66/61/66/207666166.db2.gz AQMODGPHQMSAJV-XMMPIXPASA-N 1 0 371.484 3.587 40 0 FHABRO O=C(CSCc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189313 207861849 /nfs/dbraw/zinc/86/18/49/207861849.db2.gz VOOQDMCUTIEOAX-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO C[C@@H]1C[C@@H](OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000026781179 207922325 /nfs/dbraw/zinc/92/23/25/207922325.db2.gz DBIRBMRBTJPLEL-BPQIPLTHSA-N 1 0 355.563 3.593 40 0 FHABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1Br ZINC000030555699 208002045 /nfs/dbraw/zinc/00/20/45/208002045.db2.gz CTUVIJABOBCILT-UHFFFAOYSA-N 1 0 373.294 3.975 40 0 FHABRO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031666889 208015670 /nfs/dbraw/zinc/01/56/70/208015670.db2.gz ZQCBFAAEASIQQB-SFHVURJKSA-N 1 0 362.926 3.615 40 0 FHABRO c1ccc([C@@]2(N3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000031960028 208020709 /nfs/dbraw/zinc/02/07/09/208020709.db2.gz GACFZQUGMQKXMO-GVAUOCQISA-N 1 0 369.488 3.640 40 0 FHABRO C[C@@H]1C[C@@H](OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000035031471 208118333 /nfs/dbraw/zinc/11/83/33/208118333.db2.gz DBIRBMRBTJPLEL-KBAYOESNSA-N 1 0 355.563 3.593 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000044873115 208319033 /nfs/dbraw/zinc/31/90/33/208319033.db2.gz DHZDBHOBYAQTMQ-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872832 208320816 /nfs/dbraw/zinc/32/08/16/208320816.db2.gz YITPYQJBKCWXEZ-SFHVURJKSA-N 1 0 366.505 3.929 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044908393 208323440 /nfs/dbraw/zinc/32/34/40/208323440.db2.gz LDUZISMNLSIYOP-OAQYLSRUSA-N 1 0 368.525 3.624 40 0 FHABRO CN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061439 209103885 /nfs/dbraw/zinc/10/38/85/209103885.db2.gz QMLFRBVPKGGRHG-FQEVSTJZSA-N 1 0 352.453 3.806 40 0 FHABRO O=C(COc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000058136457 208557479 /nfs/dbraw/zinc/55/74/79/208557479.db2.gz AFALOZFFGKBAKM-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051153 209102367 /nfs/dbraw/zinc/10/23/67/209102367.db2.gz BYYHAUHQAKUCIF-IBGZPJMESA-N 1 0 361.411 3.958 40 0 FHABRO O=C(Nc1ccccc1)[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052257 209101999 /nfs/dbraw/zinc/10/19/99/209101999.db2.gz FSKHDJIYPWPPMY-FQEVSTJZSA-N 1 0 368.452 3.693 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC[C@H]3NC(=O)c3ccn(C)c3)CC2)s1 ZINC000096051697 209101953 /nfs/dbraw/zinc/10/19/53/209101953.db2.gz XIGJNUXPMPKGDF-GOSISDBHSA-N 1 0 357.523 3.570 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)c1 ZINC000096040085 209098414 /nfs/dbraw/zinc/09/84/14/209098414.db2.gz QBORJASJTLBCMH-WOJBJXKFSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221031 132222608 /nfs/dbraw/zinc/22/26/08/132222608.db2.gz ALJWKZORBYEDIY-FQEVSTJZSA-N 1 0 351.494 3.650 40 0 FHABRO CC[C@H](C)Nc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C)[nH+]1 ZINC000243548060 132249879 /nfs/dbraw/zinc/24/98/79/132249879.db2.gz OIQSMIMAVWFEIU-ZDUSSCGKSA-N 1 0 356.470 3.575 40 0 FHABRO CCc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328966244 132371927 /nfs/dbraw/zinc/37/19/27/132371927.db2.gz CJUWXBMKOQPKRN-LJQANCHMSA-N 1 0 368.525 3.809 40 0 FHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC(C)C)[nH+]c(C(C)C)n1)C2 ZINC000329002359 132372325 /nfs/dbraw/zinc/37/23/25/132372325.db2.gz KHTDQOFBBATLLR-UHFFFAOYSA-N 1 0 368.481 3.770 40 0 FHABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329064302 132372960 /nfs/dbraw/zinc/37/29/60/132372960.db2.gz XISWJIMNUGSYLC-UHFFFAOYSA-N 1 0 364.371 3.821 40 0 FHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329062401 132373084 /nfs/dbraw/zinc/37/30/84/132373084.db2.gz WXTJWIQULQRMFU-UHFFFAOYSA-N 1 0 373.932 3.790 40 0 FHABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 ZINC000019719982 132891542 /nfs/dbraw/zinc/89/15/42/132891542.db2.gz OWAAAMIFACXZHI-IBGZPJMESA-N 1 0 368.529 3.623 40 0 FHABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000039750690 263399383 /nfs/dbraw/zinc/39/93/83/263399383.db2.gz IHBVOJCAUQJUPA-UHFFFAOYSA-N 1 0 369.440 3.635 40 0 FHABRO c1c(CC2([NH2+]CC3CCCCC3)COC2)noc1COc1ccccc1 ZINC000067898154 560050018 /nfs/dbraw/zinc/05/00/18/560050018.db2.gz KFMUTGKXCKWYHN-UHFFFAOYSA-N 1 0 356.466 3.735 40 0 biogenic,in-vitro FHABRO COc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccccc2C)C3)cc1 ZINC000096269257 560054097 /nfs/dbraw/zinc/05/40/97/560054097.db2.gz HJMJQIUEZRFEAU-FQEVSTJZSA-N 1 0 363.461 3.556 40 0 biogenic,in-vitro FHABRO C[NH+]1CCC(NC(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000219847890 568307539 /nfs/dbraw/zinc/30/75/39/568307539.db2.gz DHBJBVNMSCWPMT-UHFFFAOYSA-N 1 0 358.869 3.743 40 0 FHABRO C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000222690043 568554063 /nfs/dbraw/zinc/55/40/63/568554063.db2.gz GMYAZBGSNZKYBN-INIZCTEOSA-N 1 0 366.461 3.545 40 0 FHABRO COc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000223083482 568607385 /nfs/dbraw/zinc/60/73/85/568607385.db2.gz YEARRXNUEHCGLY-UHFFFAOYSA-N 1 0 354.450 3.729 40 0 FHABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000223111819 568612125 /nfs/dbraw/zinc/61/21/25/568612125.db2.gz SORTWPFPXXKRPC-QFIPXVFZSA-N 1 0 372.553 3.961 40 0 FHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000223179913 568622571 /nfs/dbraw/zinc/62/25/71/568622571.db2.gz MMVREYJUZGZLCW-SFHVURJKSA-N 1 0 358.526 3.571 40 0 FHABRO CCCC(CCC)[N@@H+]1CCOC[C@@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284620 570493964 /nfs/dbraw/zinc/49/39/64/570493964.db2.gz YWIUUMGPYMDASY-LJQANCHMSA-N 1 0 355.906 3.751 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]CCc2cccc(F)c2)[C@H](Cc2ccc(F)cc2)C1 ZINC000585284780 570494150 /nfs/dbraw/zinc/49/41/50/570494150.db2.gz HRKUJZXRJSPYOZ-KNQAVFIVSA-N 1 0 372.459 3.577 40 0 FHABRO CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)cc1 ZINC000585288512 570496436 /nfs/dbraw/zinc/49/64/36/570496436.db2.gz CPZPAJVPWZXWBN-PWRODBHTSA-N 1 0 359.441 3.675 40 0 FHABRO CC[NH+](CC)C[C@@H](O)c1cc(Br)cc(Br)c1 ZINC000006382468 570646241 /nfs/dbraw/zinc/64/62/41/570646241.db2.gz GKEFJYGSBIPDAM-GFCCVEGCSA-N 1 0 351.082 3.587 40 0 FHABRO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000006576889 570681669 /nfs/dbraw/zinc/68/16/69/570681669.db2.gz SUTXCIMFRCHMFF-FCEWJHQRSA-N 1 0 356.466 3.659 40 0 FHABRO CC(C)c1ccc(OCC(=O)Nc2ccccc2N2CC[NH+](C)CC2)cc1 ZINC000036783563 570698677 /nfs/dbraw/zinc/69/86/77/570698677.db2.gz JGLXOJDKKGPDLL-UHFFFAOYSA-N 1 0 367.493 3.579 40 0 FHABRO CCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010369432 570700370 /nfs/dbraw/zinc/70/03/70/570700370.db2.gz BKSOUEATGQTNJW-UHFFFAOYSA-N 1 0 365.477 3.675 40 0 FHABRO CC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCC(C(C)(C)C)CC3)ccc21 ZINC000012291258 570732349 /nfs/dbraw/zinc/73/23/49/570732349.db2.gz XJZKVLDHCCDACP-OAQYLSRUSA-N 1 0 358.526 3.777 40 0 FHABRO CCc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000005950098 570778064 /nfs/dbraw/zinc/77/80/64/570778064.db2.gz QVNYPITXWSLCNB-UHFFFAOYSA-N 1 0 367.518 3.972 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1OC ZINC000009063467 570797776 /nfs/dbraw/zinc/79/77/76/570797776.db2.gz DVLDBQCZLXRIHF-UHFFFAOYSA-N 1 0 372.440 3.694 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(C)c1 ZINC000016507419 570857616 /nfs/dbraw/zinc/85/76/16/570857616.db2.gz INWBRNPUMUWEME-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO O=C(COc1ccc(F)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000016507792 570857650 /nfs/dbraw/zinc/85/76/50/570857650.db2.gz ZPVJUSWDUDXGQJ-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339085 570886157 /nfs/dbraw/zinc/88/61/57/570886157.db2.gz ZOXCYARNKYOZTC-KRWDZBQOSA-N 1 0 368.481 3.512 40 0 FHABRO O=C(Nc1ccccc1C[NH+]1CCCCC1)c1cc(C(F)(F)F)[nH]n1 ZINC000019349084 570886882 /nfs/dbraw/zinc/88/68/82/570886882.db2.gz DJDBJBIUWUOKFU-UHFFFAOYSA-N 1 0 352.360 3.667 40 0 FHABRO Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc(C)c1O ZINC000019569949 570894035 /nfs/dbraw/zinc/89/40/35/570894035.db2.gz CHJIWMQDTYXCOI-QIDMFYOTSA-N 1 0 352.478 3.524 40 0 FHABRO COc1ccccc1CN(C(=O)C1[C@@H]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000019588148 570894961 /nfs/dbraw/zinc/89/49/61/570894961.db2.gz LLMXNIHECUUSQX-PMSBKCLSSA-N 1 0 356.510 3.554 40 0 FHABRO COc1ccc(CN(C(=O)C2[C@@H]3CCCC[C@H]23)C2CC[NH+](C)CC2)cc1 ZINC000019588137 570895044 /nfs/dbraw/zinc/89/50/44/570895044.db2.gz WPTAPHDKNNHVOQ-WCRBZPEASA-N 1 0 356.510 3.554 40 0 FHABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3Cc3ccccc3Cl)ncc2C1 ZINC000019590349 570895652 /nfs/dbraw/zinc/89/56/52/570895652.db2.gz QYYRBQWKPSLHOL-LJQANCHMSA-N 1 0 356.901 3.845 40 0 FHABRO CC1CCN(c2ccc(C(=O)N3CCC(CC[NH+](C)C)CC3)cc2)CC1 ZINC000019664213 570897913 /nfs/dbraw/zinc/89/79/13/570897913.db2.gz UNZJPCWGEYOQOX-UHFFFAOYSA-N 1 0 357.542 3.727 40 0 FHABRO Cc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCCCCC2)cc1N1CCCC1 ZINC000019716223 570899824 /nfs/dbraw/zinc/89/98/24/570899824.db2.gz SOARKECBZGVDFO-IBGZPJMESA-N 1 0 357.542 3.980 40 0 FHABRO C[C@H](NC(=O)CC1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000019748824 570902263 /nfs/dbraw/zinc/90/22/63/570902263.db2.gz CNIROYVPGBIZEA-SFHVURJKSA-N 1 0 351.494 3.604 40 0 FHABRO CCN(CCOc1ccccc1)CC[N@H+](CC)CCOc1ccccc1 ZINC000022581216 570946692 /nfs/dbraw/zinc/94/66/92/570946692.db2.gz BBGLIPLEMLVXGZ-UHFFFAOYSA-N 1 0 356.510 3.788 40 0 FHABRO c1ccc(OCCCN2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000022580962 570947041 /nfs/dbraw/zinc/94/70/41/570947041.db2.gz DNWSNLLGGOBYQN-UHFFFAOYSA-N 1 0 354.494 3.542 40 0 FHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000224265964 570982589 /nfs/dbraw/zinc/98/25/89/570982589.db2.gz AUMVLAWHWLKFGS-MSOLQXFVSA-N 1 0 358.526 3.571 40 0 FHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000224489310 570991484 /nfs/dbraw/zinc/99/14/84/570991484.db2.gz RYBIELRACLVJJD-GOSISDBHSA-N 1 0 358.526 3.715 40 0 FHABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039768449 571023998 /nfs/dbraw/zinc/02/39/98/571023998.db2.gz UZQDGUZWCCVSNN-UHFFFAOYSA-N 1 0 366.505 3.874 40 0 FHABRO Fc1cc(Br)ccc1NC(=S)NCCC[NH+]1CCCCC1 ZINC000225410400 571033532 /nfs/dbraw/zinc/03/35/32/571033532.db2.gz NNNVDZYIAHOVOK-UHFFFAOYSA-N 1 0 374.323 3.751 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306134544 571039082 /nfs/dbraw/zinc/03/90/82/571039082.db2.gz NRAQIDKPUFETEM-IBGZPJMESA-N 1 0 373.435 3.920 40 0 FHABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306135558 571039416 /nfs/dbraw/zinc/03/94/16/571039416.db2.gz OURLJPGCAREQQP-LJQANCHMSA-N 1 0 370.460 3.566 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225644578 571052174 /nfs/dbraw/zinc/05/21/74/571052174.db2.gz FJSULGHVPIXIBA-VGSWGCGISA-N 1 0 374.525 3.941 40 0 FHABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000225709012 571058116 /nfs/dbraw/zinc/05/81/16/571058116.db2.gz ZOMBIBZVFDQDNT-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO C[NH+](C)CCNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)n1 ZINC000328988367 571106282 /nfs/dbraw/zinc/10/62/82/571106282.db2.gz IGHIYNVYCJYSAZ-UHFFFAOYSA-N 1 0 371.916 3.544 40 0 FHABRO COc1cc2c(cc1OC)CN(C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000057523201 571122177 /nfs/dbraw/zinc/12/21/77/571122177.db2.gz BPEBDHKSWQJONU-UHFFFAOYSA-N 1 0 366.505 3.727 40 0 FHABRO C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000260772322 571122492 /nfs/dbraw/zinc/12/24/92/571122492.db2.gz NITPBPHDNPWEKE-NIKGAXFTSA-N 1 0 361.474 3.857 40 0 FHABRO COc1ccc(C2([NH2+]Cc3ccnc(N4CCCC4)n3)CCCC2)cc1 ZINC000057822860 571123139 /nfs/dbraw/zinc/12/31/39/571123139.db2.gz OOKGWTHFARKBIO-UHFFFAOYSA-N 1 0 352.482 3.645 40 0 FHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812418 571123233 /nfs/dbraw/zinc/12/32/33/571123233.db2.gz BFBBFILPLDMGKM-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO c1nc(Nc2cccc(C[C@@H]3C[NH2+]CCOC3)n2)sc1-c1ccccc1 ZINC000585263396 571125577 /nfs/dbraw/zinc/12/55/77/571125577.db2.gz YGRYEPULEZWLFG-OAHLLOKOSA-N 1 0 366.490 3.727 40 0 FHABRO c1cc2c(cccc2C[NH+]2CC3(C2)C[C@@H](OCc2ccccn2)CS3)[nH]1 ZINC000247846117 571125905 /nfs/dbraw/zinc/12/59/05/571125905.db2.gz MSPVFVUSNLBNEB-GOSISDBHSA-N 1 0 365.502 3.840 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@H](COCc4cccnc4)CC[C@@H]32)s1 ZINC000248113451 571127875 /nfs/dbraw/zinc/12/78/75/571127875.db2.gz RPOKHDYDPWYAEF-YSIASYRMSA-N 1 0 358.507 3.648 40 0 FHABRO CCOc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1OCC ZINC000059018163 571134035 /nfs/dbraw/zinc/13/40/35/571134035.db2.gz PXMODOBJRDSWGB-IAGOWNOFSA-N 1 0 362.514 3.582 40 0 FHABRO CC(C)(CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CCCCC1 ZINC000627015517 571145702 /nfs/dbraw/zinc/14/57/02/571145702.db2.gz SLOLWYIATGPJRD-ZFWWWQNUSA-N 1 0 361.452 3.682 40 0 FHABRO Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)[nH+]1 ZINC000257209523 571150122 /nfs/dbraw/zinc/15/01/22/571150122.db2.gz BQTBPDZAIFPFNL-OAHLLOKOSA-N 1 0 351.441 3.597 40 0 FHABRO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@H+](Cc4cccc5[nH]ccc54)C3)n2)n1 ZINC000257213620 571150923 /nfs/dbraw/zinc/15/09/23/571150923.db2.gz CIJJMZQLZCTXFQ-INIZCTEOSA-N 1 0 372.476 3.803 40 0 FHABRO Fc1ccc(Cc2cnc([C@@H]3CCC[N@H+](Cc4cnccn4)C3)o2)cc1 ZINC000257213784 571150985 /nfs/dbraw/zinc/15/09/85/571150985.db2.gz CJBGBNZVPWPIAE-MRXNPFEDSA-N 1 0 352.413 3.574 40 0 FHABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)[N@H+]2Cc2cccnc2)N1 ZINC000257238407 571153096 /nfs/dbraw/zinc/15/30/96/571153096.db2.gz HKWGFDDSHRGUOO-AABGKKOBSA-N 1 0 353.441 3.595 40 0 FHABRO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C4CCCCC4)no3)C2)n1 ZINC000257237234 571153158 /nfs/dbraw/zinc/15/31/58/571153158.db2.gz HFRTZVZQZUCNIG-INIZCTEOSA-N 1 0 356.470 3.784 40 0 FHABRO CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000257258739 571155114 /nfs/dbraw/zinc/15/51/14/571155114.db2.gz KVHNIALNDDKLTJ-LJQANCHMSA-N 1 0 355.457 3.914 40 0 FHABRO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257274991 571156904 /nfs/dbraw/zinc/15/69/04/571156904.db2.gz NNNJZLHEHPOQKT-INIZCTEOSA-N 1 0 373.526 3.591 40 0 FHABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCCC[C@@H]2[NH2+]CC[C@@]21C ZINC000257275169 571156977 /nfs/dbraw/zinc/15/69/77/571156977.db2.gz NOENWLULQHJNOH-UNMCSNQZSA-N 1 0 353.510 3.850 40 0 FHABRO Fc1ccc(F)c(C[NH+]2CCC(c3nccnc3-c3ncc[nH]3)CC2)c1 ZINC000257287822 571158353 /nfs/dbraw/zinc/15/83/53/571158353.db2.gz PRQUFSGZXCAIOH-UHFFFAOYSA-N 1 0 355.392 3.525 40 0 FHABRO Cc1cnccc1C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257317838 571161418 /nfs/dbraw/zinc/16/14/18/571161418.db2.gz VLJWACSPBVYNEZ-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1csc(Nc2cccc(C3CCN(Cc4ncc[nH]4)CC3)n2)n1 ZINC000257319086 571161422 /nfs/dbraw/zinc/16/14/22/571161422.db2.gz VQQVMRTVSTXIKZ-UHFFFAOYSA-N 1 0 354.483 3.693 40 0 FHABRO c1c[nH]c(-c2cncc(C[C@@H]3CCC[N@H+](Cc4ccc5cc[nH]c5c4)C3)n2)n1 ZINC000257322767 571162011 /nfs/dbraw/zinc/16/20/11/571162011.db2.gz WHIJFJAYSRFRRR-INIZCTEOSA-N 1 0 372.476 3.803 40 0 FHABRO CC(C)[NH+]1CCC(Cc2nccnc2N2CC3(CCCCC3)OC2=O)CC1 ZINC000257328092 571162496 /nfs/dbraw/zinc/16/24/96/571162496.db2.gz XEBRKCXMIDRBPZ-UHFFFAOYSA-N 1 0 372.513 3.799 40 0 FHABRO C[N@@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccccc3F)c2)C1 ZINC000257332201 571162677 /nfs/dbraw/zinc/16/26/77/571162677.db2.gz XWFNGWSJYHYJLB-MRXNPFEDSA-N 1 0 351.429 3.642 40 0 FHABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000072345882 571179626 /nfs/dbraw/zinc/17/96/26/571179626.db2.gz UTLFRDUQTJDYNQ-MRXNPFEDSA-N 1 0 352.482 3.856 40 0 FHABRO 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Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)n1 ZINC000096239566 209141861 /nfs/dbraw/zinc/14/18/61/209141861.db2.gz UHLYBTAAYWKNNY-LJQANCHMSA-N 1 0 358.436 3.523 40 0 FHABRO c1ccc(CN[C@@H]2CC3(CC[NH+](CC4CC4)CC3)Oc3ccccc32)nc1 ZINC000096242809 209142960 /nfs/dbraw/zinc/14/29/60/209142960.db2.gz XUQHUQVLGGJXNS-OAQYLSRUSA-N 1 0 363.505 3.940 40 0 FHABRO Cc1nc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2c(C)noc2C)C3)cs1 ZINC000096215987 209136761 /nfs/dbraw/zinc/13/67/61/209136761.db2.gz LYXZCBLGJWQMFO-IBGZPJMESA-N 1 0 360.527 3.544 40 0 FHABRO Cc1noc(C)c1CN1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216278 209136048 /nfs/dbraw/zinc/13/60/48/209136048.db2.gz DYSNMLCHGORSGO-JOCHJYFZSA-N 1 0 369.509 3.658 40 0 FHABRO CCC[NH+]1CCC2(CN(C(=O)c3cccnc3)c3ccc(F)cc32)CC1 ZINC000096161058 209127401 /nfs/dbraw/zinc/12/74/01/209127401.db2.gz RGSPIISPDLIVJO-UHFFFAOYSA-N 1 0 353.441 3.625 40 0 FHABRO O=C(CSCc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1 ZINC000013673406 220082803 /nfs/dbraw/zinc/08/28/03/220082803.db2.gz 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O[C@@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCCC1 ZINC000004194894 207006395 /nfs/dbraw/zinc/00/63/95/207006395.db2.gz LAOSKVNPBIXSAK-RXXSEBCPSA-N 1 0 355.522 3.990 40 0 FHABRO COc1c2occc2c2occ(C)c2c1OC[C@H](O)C[NH+]1CCCCC1 ZINC000006523526 207145169 /nfs/dbraw/zinc/14/51/69/207145169.db2.gz ZYHCHTRKHCAAPA-CQSZACIVSA-N 1 0 359.422 3.722 40 0 FHABRO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)NC(C)(C)C ZINC000006882430 207174974 /nfs/dbraw/zinc/17/49/74/207174974.db2.gz VSAXRCUNWVOXBT-UHFFFAOYSA-N 1 0 362.514 3.801 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000007447797 207196653 /nfs/dbraw/zinc/19/66/53/207196653.db2.gz BHPWYMHTCORLBJ-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000010281097 207298436 /nfs/dbraw/zinc/29/84/36/207298436.db2.gz GCVAJNPRPFPWDA-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO COc1ccccc1CN(Cc1cncn1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000012116739 207339595 /nfs/dbraw/zinc/33/95/95/207339595.db2.gz STOLTVSEPPFRPH-UHFFFAOYSA-N 1 0 370.541 3.740 40 0 FHABRO CC[NH+](CC)CCNc1ncc(-c2cc(C)no2)c(-c2cccs2)n1 ZINC000012154284 207343106 /nfs/dbraw/zinc/34/31/06/207343106.db2.gz RYXILANAUNJUJW-UHFFFAOYSA-N 1 0 357.483 3.922 40 0 FHABRO OC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000012240554 207350887 /nfs/dbraw/zinc/35/08/87/207350887.db2.gz NLUXXNHWAXJNRN-UHFFFAOYSA-N 1 0 354.469 3.910 40 0 FHABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293759 207352354 /nfs/dbraw/zinc/35/23/54/207352354.db2.gz MCZKOYYYOZMNKA-VQTJNVASSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1C ZINC000012293493 207352624 /nfs/dbraw/zinc/35/26/24/207352624.db2.gz TVUCETDCRVUAOQ-SFTDATJTSA-N 1 0 367.489 3.688 40 0 FHABRO COc1cccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)c1 ZINC000012329722 207362464 /nfs/dbraw/zinc/36/24/64/207362464.db2.gz PWCOBIWVGDFXSX-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO CCCCc1ncc(C[NH2+]CC2(c3ccccc3F)CCOCC2)cn1 ZINC000019502383 207674686 /nfs/dbraw/zinc/67/46/86/207674686.db2.gz SQNOBGBDYNRYDN-UHFFFAOYSA-N 1 0 357.473 3.796 40 0 FHABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030867638 208006031 /nfs/dbraw/zinc/00/60/31/208006031.db2.gz SABPNMJUZZHYGV-NUJGCVRESA-N 1 0 366.933 3.982 40 0 FHABRO Cc1nccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000030854634 208006863 /nfs/dbraw/zinc/00/68/63/208006863.db2.gz NKVHEFMQIZMOOQ-UHFFFAOYSA-N 1 0 374.488 3.707 40 0 FHABRO COc1ccc(OC)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038834750 208206069 /nfs/dbraw/zinc/20/60/69/208206069.db2.gz XEQPSOGRTHTYIT-KRWDZBQOSA-N 1 0 354.450 3.555 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000044873128 208319974 /nfs/dbraw/zinc/31/99/74/208319974.db2.gz NBZUZZFCAXIGOT-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044873161 208320219 /nfs/dbraw/zinc/32/02/19/208320219.db2.gz DONCPNSYNUILQY-HXUWFJFHSA-N 1 0 370.468 3.895 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(F)cc1 ZINC000044899987 208320848 /nfs/dbraw/zinc/32/08/48/208320848.db2.gz JLVGFYLSRBOWKS-SFHVURJKSA-N 1 0 352.519 3.830 40 0 FHABRO CCOc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044919763 208321257 /nfs/dbraw/zinc/32/12/57/208321257.db2.gz IYXYOKWPJXPRAG-IBGZPJMESA-N 1 0 370.468 3.753 40 0 FHABRO O=C(NCc1ccccc1-n1ccnc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044932400 208321602 /nfs/dbraw/zinc/32/16/02/208321602.db2.gz LIXGCYSWKRHLJR-UHFFFAOYSA-N 1 0 374.488 3.788 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000044934641 208321742 /nfs/dbraw/zinc/32/17/42/208321742.db2.gz OOOFOACGTNFHHM-MRXNPFEDSA-N 1 0 368.477 3.791 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cn2ccnc2C)cc1 ZINC000044908396 208323095 /nfs/dbraw/zinc/32/30/95/208323095.db2.gz LDUZISMNLSIYOP-NRFANRHFSA-N 1 0 368.525 3.624 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053247 209102998 /nfs/dbraw/zinc/10/29/98/209102998.db2.gz LYBXZCYWUJPCML-QGZVFWFLSA-N 1 0 370.518 3.785 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)s1 ZINC000096049552 209102343 /nfs/dbraw/zinc/10/23/43/209102343.db2.gz TVCMRNMMMSHAMW-FQEVSTJZSA-N 1 0 357.523 3.571 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)cc1 ZINC000096050574 209102125 /nfs/dbraw/zinc/10/21/25/209102125.db2.gz DDGSVEIXXDODSO-HSZRJFAPSA-N 1 0 364.489 3.628 40 0 FHABRO O=C1CCC2(CC[NH+](Cc3ccc(F)cc3)CC2)N1Cc1ccccc1 ZINC000096049418 209101948 /nfs/dbraw/zinc/10/19/48/209101948.db2.gz LORQCSCOMBWSBX-UHFFFAOYSA-N 1 0 352.453 3.983 40 0 FHABRO c1cncc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 ZINC000096038251 209098616 /nfs/dbraw/zinc/09/86/16/209098616.db2.gz RCQROCAYDAITRT-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccco3)CC2)N1Cc1cccc(F)c1 ZINC000096047545 209099408 /nfs/dbraw/zinc/09/94/08/209099408.db2.gz WGWQBNVVMOTPSX-NRFANRHFSA-N 1 0 356.441 3.966 40 0 FHABRO CCSc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113958564 132247235 /nfs/dbraw/zinc/24/72/35/132247235.db2.gz FVUWAPGJKLVHJH-UHFFFAOYSA-N 1 0 355.507 3.803 40 0 FHABRO CNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(C2CC2)[nH+]1 ZINC000329022994 132372566 /nfs/dbraw/zinc/37/25/66/132372566.db2.gz OPWDZALQVUYRSA-UHFFFAOYSA-N 1 0 364.371 3.857 40 0 FHABRO COc1ccc2c(c1)CCN(c1cc(C(C)C)[nH+]c(NC3CCCC3)n1)C2 ZINC000329043648 132372823 /nfs/dbraw/zinc/37/28/23/132372823.db2.gz STGUSFMVGCGINA-UHFFFAOYSA-N 1 0 366.509 3.948 40 0 FHABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039744357 263399583 /nfs/dbraw/zinc/39/95/83/263399583.db2.gz YBEXSMWHZPWNRY-UHFFFAOYSA-N 1 0 370.468 3.705 40 0 FHABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000019932303 523050124 /nfs/dbraw/zinc/05/01/24/523050124.db2.gz UMNZVWBRVIPMBS-GOSISDBHSA-N 1 0 352.906 3.736 40 0 FHABRO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020488454 523969076 /nfs/dbraw/zinc/96/90/76/523969076.db2.gz YQUQBLWCFQLVEO-GOSISDBHSA-N 1 0 366.505 3.900 40 0 FHABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289976 560031183 /nfs/dbraw/zinc/03/11/83/560031183.db2.gz RYCFCZUAKWLYAM-CNNODRBYSA-N 1 0 358.526 3.515 40 0 biogenic,in-vitro FHABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]Cc3cccnc3)C=C2C)o1 ZINC000035442628 560079705 /nfs/dbraw/zinc/07/97/05/560079705.db2.gz LGUDFBPLFTXUMY-UFYCRDLUSA-N 1 0 354.498 3.960 40 0 biogenic,in-vitro FHABRO Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](C[NH2+]Cc3ccncc3)C=C2C)o1 ZINC000035442629 560079869 /nfs/dbraw/zinc/07/98/69/560079869.db2.gz MKZSWWNXODCULS-UFYCRDLUSA-N 1 0 354.498 3.960 40 0 biogenic,in-vitro FHABRO CC(C)C[C@@H]1[NH2+][C@H](C(=O)NC2CCCC2)Cc2cn(C)c3cccc1c23 ZINC000049171495 560084302 /nfs/dbraw/zinc/08/43/02/560084302.db2.gz WQGWTDIXECYXJE-OALUTQOASA-N 1 0 353.510 3.839 40 0 biogenic,in-vitro FHABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216324801 568118126 /nfs/dbraw/zinc/11/81/26/568118126.db2.gz IQZFMELLLJIXEM-XHSDSOJGSA-N 1 0 352.906 3.592 40 0 FHABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000022075288 568203696 /nfs/dbraw/zinc/20/36/96/568203696.db2.gz WDKHZQJBDNYBKM-UHFFFAOYSA-N 1 0 360.473 3.845 40 0 FHABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)s1 ZINC000585262560 570481598 /nfs/dbraw/zinc/48/15/98/570481598.db2.gz FFSCTAMYSNGRSE-MRXNPFEDSA-N 1 0 368.510 3.703 40 0 FHABRO OC1(COc2ccc(F)cc2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271211 570485477 /nfs/dbraw/zinc/48/54/77/570485477.db2.gz UNQNUXLACOWJHB-UHFFFAOYSA-N 1 0 354.425 3.713 40 0 FHABRO C[C@]12CC[N@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)[C@H]1CCCCC(=O)N2 ZINC000585282158 570492603 /nfs/dbraw/zinc/49/26/03/570492603.db2.gz BBDDZCYNIMUUHZ-BAMDZGJYSA-N 1 0 370.537 3.599 40 0 FHABRO CC1(C)CCC([N@@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281231 570492616 /nfs/dbraw/zinc/49/26/16/570492616.db2.gz HPUIUSTUBBPBDF-FQEVSTJZSA-N 1 0 367.917 3.751 40 0 FHABRO CC1(C)CCC([N@@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CC1 ZINC000585281232 570492623 /nfs/dbraw/zinc/49/26/23/570492623.db2.gz HPUIUSTUBBPBDF-HXUWFJFHSA-N 1 0 367.917 3.751 40 0 FHABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358355 570546037 /nfs/dbraw/zinc/54/60/37/570546037.db2.gz AOIOYKJCYGNADW-HXUWFJFHSA-N 1 0 372.472 3.622 40 0 FHABRO NC(=O)c1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000072358354 570546235 /nfs/dbraw/zinc/54/62/35/570546235.db2.gz AOIOYKJCYGNADW-FQEVSTJZSA-N 1 0 372.472 3.622 40 0 FHABRO C=C1[NH+]=C(SC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408989430 570708277 /nfs/dbraw/zinc/70/82/77/570708277.db2.gz KSOBTRRDFNWWHU-ZDUSSCGKSA-N 1 0 369.284 3.650 40 0 FHABRO O=C(c1cccc(F)c1)N1CCCc2cc([C@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291541 570732295 /nfs/dbraw/zinc/73/22/95/570732295.db2.gz VIYUCNNHJFVVGO-OAQYLSRUSA-N 1 0 368.452 3.548 40 0 FHABRO Cc1cccc(C2(O)CC[NH+](C[C@H](O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012292592 570732343 /nfs/dbraw/zinc/73/23/43/570732343.db2.gz CIUFZPWETZAFBZ-QFIPXVFZSA-N 1 0 351.490 3.501 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2ccccc2F)CC1)c1ccc2ccccc2c1 ZINC000012292290 570732358 /nfs/dbraw/zinc/73/23/58/570732358.db2.gz CMASPQHXKBFVGL-QFIPXVFZSA-N 1 0 365.448 3.996 40 0 FHABRO C[C@H]1[C@H]([NH2+]C[C@@H](O)COCCOc2ccc(Cl)cc2)CCC[C@@H]1C ZINC000012549376 570814215 /nfs/dbraw/zinc/81/42/15/570814215.db2.gz OSISLWGQAJWPLM-BUIAKZPTSA-N 1 0 355.906 3.511 40 0 FHABRO O=C(NCC[NH+]1CCCCC1)c1cccnc1-c1nc2ccccc2s1 ZINC000016807791 570862887 /nfs/dbraw/zinc/86/28/87/570862887.db2.gz OJMPUEBECYDWAB-UHFFFAOYSA-N 1 0 366.490 3.574 40 0 FHABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)c1 ZINC000019019517 570879418 /nfs/dbraw/zinc/87/94/18/570879418.db2.gz SZUOUVJUHNQAHJ-ACRUOGEOSA-N 1 0 370.518 3.593 40 0 FHABRO Cc1ccc(CN2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1C ZINC000019213986 570881932 /nfs/dbraw/zinc/88/19/32/570881932.db2.gz XSSUOCDDCMSFKV-NRFANRHFSA-N 1 0 350.510 3.809 40 0 FHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccc(F)cc1 ZINC000019238573 570883676 /nfs/dbraw/zinc/88/36/76/570883676.db2.gz QUEGWZFCULVJQP-UHFFFAOYSA-N 1 0 362.514 3.920 40 0 FHABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000019346434 570886904 /nfs/dbraw/zinc/88/69/04/570886904.db2.gz ZEALJAJREGDOGB-QIDMFYOTSA-N 1 0 365.452 3.734 40 0 FHABRO O=C(c1cc(C2CC[NH+](CCc3ccccc3)CC2)no1)N1CCCCC1 ZINC000019371236 570887895 /nfs/dbraw/zinc/88/78/95/570887895.db2.gz FYIALUBZSAKJPU-UHFFFAOYSA-N 1 0 367.493 3.723 40 0 FHABRO CCOc1ccc(NC(=O)[C@H]([C@@H](C)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366267 570888066 /nfs/dbraw/zinc/88/80/66/570888066.db2.gz JFEFUMYXQVSUMX-NQIIRXRSSA-N 1 0 373.541 3.753 40 0 FHABRO C[C@@H]1C[C@H]1C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000019462805 570890155 /nfs/dbraw/zinc/89/01/55/570890155.db2.gz IMPPOBNSPPUYNM-GDBMZVCRSA-N 1 0 354.498 3.907 40 0 FHABRO CCn1nc2c(c1C(=O)Nc1cccc(C[NH+]3CCCC3)c1)CCCC2 ZINC000019524112 570891635 /nfs/dbraw/zinc/89/16/35/570891635.db2.gz MBCGXDXPXIJBJV-UHFFFAOYSA-N 1 0 352.482 3.630 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019687294 570898448 /nfs/dbraw/zinc/89/84/48/570898448.db2.gz XIXLQAHMGHFNLG-OAQYLSRUSA-N 1 0 365.521 3.720 40 0 FHABRO NC(=O)c1[nH]c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)nc1-c1ccccc1 ZINC000019698970 570898914 /nfs/dbraw/zinc/89/89/14/570898914.db2.gz UITZJFORXFMDGY-LJQANCHMSA-N 1 0 374.488 3.598 40 0 FHABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019714418 570899475 /nfs/dbraw/zinc/89/94/75/570899475.db2.gz QFJULPHQKRCUAK-OAHLLOKOSA-N 1 0 373.497 3.958 40 0 FHABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1[nH]c2ccc(C)cc2c1C ZINC000019719534 570900788 /nfs/dbraw/zinc/90/07/88/570900788.db2.gz VNUPLDOOTDZYIY-QGZVFWFLSA-N 1 0 352.482 3.932 40 0 FHABRO C[C@@H]1CN(CCOC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C(C)(C)C ZINC000022584717 570946887 /nfs/dbraw/zinc/94/68/87/570946887.db2.gz UMQSCSIFZSHZAJ-CQSZACIVSA-N 1 0 353.894 3.693 40 0 FHABRO O=C(NCCOCc1ccccc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095875 570976949 /nfs/dbraw/zinc/97/69/49/570976949.db2.gz HYPQGFFUDHJSOX-UHFFFAOYSA-N 1 0 352.478 3.619 40 0 FHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000224525914 570991689 /nfs/dbraw/zinc/99/16/89/570991689.db2.gz UDVNJOUFJVCDKG-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224786962 571000892 /nfs/dbraw/zinc/00/08/92/571000892.db2.gz JWRVPDXGXYEBIZ-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO Cc1cc(NC(=S)NCCC[NH+]2CCCC2)ccc1Br ZINC000225433183 571035042 /nfs/dbraw/zinc/03/50/42/571035042.db2.gz FQXRAKVYWKLWIE-UHFFFAOYSA-N 1 0 356.333 3.530 40 0 FHABRO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039773338 571024060 /nfs/dbraw/zinc/02/40/60/571024060.db2.gz DMVZDKAVRNTAQZ-UHFFFAOYSA-N 1 0 372.459 3.926 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c(OC)c1 ZINC000039771966 571024112 /nfs/dbraw/zinc/02/41/12/571024112.db2.gz UXVVQYXSWJWPLX-UHFFFAOYSA-N 1 0 372.440 3.694 40 0 FHABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000039755760 571025144 /nfs/dbraw/zinc/02/51/44/571025144.db2.gz GPGYWABJHUQPDL-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137565 571040429 /nfs/dbraw/zinc/04/04/29/571040429.db2.gz QZZHRJLEPFRTOR-NRFANRHFSA-N 1 0 365.452 3.816 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)cc1 ZINC000306142154 571041886 /nfs/dbraw/zinc/04/18/86/571041886.db2.gz WRNNJBVLUGFNET-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO c1coc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141097 571042071 /nfs/dbraw/zinc/04/20/71/571042071.db2.gz VLFKGJMKHYVNHZ-SFHVURJKSA-N 1 0 359.433 3.764 40 0 FHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225602833 571048628 /nfs/dbraw/zinc/04/86/28/571048628.db2.gz ZWCFTZKRMIGANJ-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 ZINC000225606325 571048871 /nfs/dbraw/zinc/04/88/71/571048871.db2.gz IPBFZCGSMXGTIB-FQEVSTJZSA-N 1 0 350.503 3.797 40 0 FHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225611843 571049580 /nfs/dbraw/zinc/04/95/80/571049580.db2.gz LSBMFNIZVNXNGC-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225644054 571052192 /nfs/dbraw/zinc/05/21/92/571052192.db2.gz LGAXDMIVXQIKSE-OAQYLSRUSA-N 1 0 360.498 3.695 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225643873 571052318 /nfs/dbraw/zinc/05/23/18/571052318.db2.gz HPNWLUCIFZUJJA-HRAATJIYSA-N 1 0 360.498 3.693 40 0 FHABRO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225692456 571056235 /nfs/dbraw/zinc/05/62/35/571056235.db2.gz ALYSUBABTDWLPE-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225706622 571057648 /nfs/dbraw/zinc/05/76/48/571057648.db2.gz WNABILZORNQPAT-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225723462 571059538 /nfs/dbraw/zinc/05/95/38/571059538.db2.gz MFRTUJJWHVWCIW-VGOFRKELSA-N 1 0 374.525 3.941 40 0 FHABRO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225730004 571060076 /nfs/dbraw/zinc/06/00/76/571060076.db2.gz ITSCJCVZTSILQN-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO COc1cccc(NC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225764070 571063334 /nfs/dbraw/zinc/06/33/34/571063334.db2.gz ZIVXKIWUJIWVLF-UHFFFAOYSA-N 1 0 355.438 3.812 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(c2cccc(Br)c2)CC1 ZINC000079033377 571090078 /nfs/dbraw/zinc/09/00/78/571090078.db2.gz QPLCXRHUMKRDAE-UHFFFAOYSA-N 1 0 355.276 3.634 40 0 FHABRO CNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(-c2ccccc2)n1 ZINC000328986124 571106358 /nfs/dbraw/zinc/10/63/58/571106358.db2.gz HWLNVBCKWOUTLB-UHFFFAOYSA-N 1 0 360.339 3.671 40 0 FHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260790417 571122986 /nfs/dbraw/zinc/12/29/86/571122986.db2.gz AUMVLAWHWLKFGS-ZWKOTPCHSA-N 1 0 358.526 3.571 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812326 571123305 /nfs/dbraw/zinc/12/33/05/571123305.db2.gz AMILESRALIBYPF-HRAATJIYSA-N 1 0 360.498 3.551 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818199 571124076 /nfs/dbraw/zinc/12/40/76/571124076.db2.gz XLABUFNTSCBZLZ-KRWDZBQOSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1ccc(CN2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)o1 ZINC000248052924 571127524 /nfs/dbraw/zinc/12/75/24/571127524.db2.gz BLSMRTOYAXCJDU-HXUWFJFHSA-N 1 0 358.482 3.780 40 0 FHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 ZINC000248056047 571127557 /nfs/dbraw/zinc/12/75/57/571127557.db2.gz UIOBHPMZTYQRKK-QGZVFWFLSA-N 1 0 373.522 3.687 40 0 FHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000253599703 571138867 /nfs/dbraw/zinc/13/88/67/571138867.db2.gz SVRSSAHSTMDHIL-MRXNPFEDSA-N 1 0 353.553 3.560 40 0 FHABRO NC(=O)O[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@@H]2CCCC[C@H]12 ZINC000001846336 571145942 /nfs/dbraw/zinc/14/59/42/571145942.db2.gz RVPQELWEPXXXPC-YQVWRLOYSA-N 1 0 362.445 3.517 40 0 FHABRO Cc1ccc2c(C(=O)N3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)csc2c1 ZINC000333296875 571148421 /nfs/dbraw/zinc/14/84/21/571148421.db2.gz PLRJPCLGXCNTQZ-CRAIPNDOSA-N 1 0 358.507 3.568 40 0 FHABRO C[N@@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc2cc(F)ccc2[nH]1 ZINC000257211882 571150609 /nfs/dbraw/zinc/15/06/09/571150609.db2.gz CAXQOXCLJSBVNW-DZJZLKLXSA-N 1 0 355.457 3.784 40 0 FHABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)c1 ZINC000257212935 571150966 /nfs/dbraw/zinc/15/09/66/571150966.db2.gz CFMOVGUOYCPGNB-CQSZACIVSA-N 1 0 369.419 3.600 40 0 FHABRO Cc1cc(C)nc(Nc2ccc([C@H]3C[N@@H+](C4CCCCC4)CCO3)nc2)n1 ZINC000257230020 571152513 /nfs/dbraw/zinc/15/25/13/571152513.db2.gz GAKHFGXCYGBGII-HXUWFJFHSA-N 1 0 367.497 3.938 40 0 FHABRO CC(C)[N@@H+]1CC[C@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257302910 571159844 /nfs/dbraw/zinc/15/98/44/571159844.db2.gz SEYBDRLQGKSHJD-LBPRGKRZSA-N 1 0 351.376 3.832 40 0 FHABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4cccc(F)c4)no3)CCC[C@@]21C ZINC000257307786 571160502 /nfs/dbraw/zinc/16/05/02/571160502.db2.gz TUCYWPRYAVGARI-FPOVZHCZSA-N 1 0 371.456 3.960 40 0 FHABRO C[NH+]1CCC(Cc2cccc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 ZINC000257314452 571160952 /nfs/dbraw/zinc/16/09/52/571160952.db2.gz UXAIXYQBRLBFEK-HXUWFJFHSA-N 1 0 365.477 3.534 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nc1 ZINC000257315931 571161045 /nfs/dbraw/zinc/16/10/45/571161045.db2.gz VDILITZBAZYYAD-LJQANCHMSA-N 1 0 363.465 3.831 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000067801292 571174403 /nfs/dbraw/zinc/17/44/03/571174403.db2.gz UDNCJGVTDHTJNA-OAHLLOKOSA-N 1 0 369.303 3.938 40 0 FHABRO CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340460 571179318 /nfs/dbraw/zinc/17/93/18/571179318.db2.gz KNBCWMOYTUBDJR-CUWPLCDZSA-N 1 0 369.534 3.627 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348747 571180163 /nfs/dbraw/zinc/18/01/63/571180163.db2.gz MNYNWZLXXWVLPU-KRWDZBQOSA-N 1 0 369.484 3.936 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000072349975 571181291 /nfs/dbraw/zinc/18/12/91/571181291.db2.gz WDMHBJWIQHYPOF-LJQANCHMSA-N 1 0 364.468 3.925 40 0 FHABRO Cc1nc([C@H]2CC[N@@H+](C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351977 571182068 /nfs/dbraw/zinc/18/20/68/571182068.db2.gz TVIHJZFAZSGFFF-AWEZNQCLSA-N 1 0 358.873 3.888 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cn1 ZINC000072359730 571184067 /nfs/dbraw/zinc/18/40/67/571184067.db2.gz HEESZNLIKPWLML-KRWDZBQOSA-N 1 0 367.884 3.910 40 0 FHABRO Cc1cccnc1Nc1cccc([C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072376051 571185658 /nfs/dbraw/zinc/18/56/58/571185658.db2.gz QWHNHQIQSUUXAV-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cccc(-n4ccnc4C)n3)C2)cc1 ZINC000072379120 571187805 /nfs/dbraw/zinc/18/78/05/571187805.db2.gz ZQCWNXUUQIQYMY-IBGZPJMESA-N 1 0 362.477 3.964 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389985 571189341 /nfs/dbraw/zinc/18/93/41/571189341.db2.gz BIYHTYDJFVMFGF-KRWDZBQOSA-N 1 0 350.422 3.520 40 0 FHABRO COc1cccc(C[N@H+]2C[C@@H](c3cn(C)c4ccccc34)[C@H](N(C)C)C2)c1 ZINC000072395135 571190223 /nfs/dbraw/zinc/19/02/23/571190223.db2.gz PUAIZSKZBPRPDR-JTHBVZDNSA-N 1 0 363.505 3.717 40 0 FHABRO Cc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257231940 571203771 /nfs/dbraw/zinc/20/37/71/571203771.db2.gz GIUFFZPTHDNBES-IPJJNNNSSA-N 1 0 351.494 3.555 40 0 FHABRO Cc1cccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000257242047 571204023 /nfs/dbraw/zinc/20/40/23/571204023.db2.gz IAVMHKVDDWJUKA-SFGWALBWSA-N 1 0 351.494 3.555 40 0 FHABRO [NH3+]C[C@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218645835 571212474 /nfs/dbraw/zinc/21/24/74/571212474.db2.gz CCBRIIRNEXJGBX-HRCADAONSA-N 1 0 356.274 3.508 40 0 FHABRO Cc1ncsc1CN1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](C)CC2)C1 ZINC000306123897 571213210 /nfs/dbraw/zinc/21/32/10/571213210.db2.gz AZYHUCFAOAEZNG-UHFFFAOYSA-N 1 0 373.570 3.517 40 0 FHABRO c1cncc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306129716 571213934 /nfs/dbraw/zinc/21/39/34/571213934.db2.gz IKVOQIJZPXQKLY-HXUWFJFHSA-N 1 0 370.460 3.566 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 ZINC000585099981 571221751 /nfs/dbraw/zinc/22/17/51/571221751.db2.gz BWAULUFHEDOSFA-QFIPXVFZSA-N 1 0 368.477 3.949 40 0 FHABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104209 571223061 /nfs/dbraw/zinc/22/30/61/571223061.db2.gz KVOGVFDFGQFHAG-VGOFRKELSA-N 1 0 368.452 3.642 40 0 FHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)s1 ZINC000585103367 571223554 /nfs/dbraw/zinc/22/35/54/571223554.db2.gz AVHRHJFSLLSLKV-INIZCTEOSA-N 1 0 353.553 3.560 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000083264806 571278000 /nfs/dbraw/zinc/27/80/00/571278000.db2.gz YVAWAKKBNUBKIK-AWEZNQCLSA-N 1 0 369.303 3.938 40 0 FHABRO C[C@H](Cc1ccccn1)NC(=O)[C@H](c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000253608649 571291858 /nfs/dbraw/zinc/29/18/58/571291858.db2.gz SUAITDBMAAHHOH-OPYAIIAOSA-N 1 0 351.494 3.745 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2ccco2)CC1 ZINC000009062914 571302362 /nfs/dbraw/zinc/30/23/62/571302362.db2.gz JDNBOJITTDTTRA-UHFFFAOYSA-N 1 0 372.534 3.850 40 0 FHABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062986 571302391 /nfs/dbraw/zinc/30/23/91/571302391.db2.gz GOYZKGSIPWHHTM-UHFFFAOYSA-N 1 0 366.505 3.874 40 0 FHABRO c1csc(-c2nc(N3CC[N@@H+]4CCC[C@H]4C3)ncc2-c2ccccn2)c1 ZINC000013268024 571303579 /nfs/dbraw/zinc/30/35/79/571303579.db2.gz PBHKONYQZRFLEG-HNNXBMFYSA-N 1 0 363.490 3.552 40 0 FHABRO CC[N@H+](C)[C@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(C1)CCCCC2 ZINC000019703811 571304555 /nfs/dbraw/zinc/30/45/55/571304555.db2.gz XYNCYXWNQSXTGJ-MRXNPFEDSA-N 1 0 372.509 3.976 40 0 FHABRO CC[NH2+][C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)CC(C)C)CC2)C1 ZINC000019712747 571327138 /nfs/dbraw/zinc/32/71/38/571327138.db2.gz VJOVILPLJIWFHC-PMACEKPBSA-N 1 0 358.526 3.924 40 0 FHABRO Brc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842137 571327362 /nfs/dbraw/zinc/32/73/62/571327362.db2.gz SWYIISUVTWEOOY-NJAFHUGGSA-N 1 0 361.327 3.779 40 0 FHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+](Cc3ccnn3C)C2)ccn1 ZINC000257332772 210002894 /nfs/dbraw/zinc/00/28/94/210002894.db2.gz XYOJAALUTNUDQY-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1ncsc1-c1ccc(C(=O)N2CCC[C@]3(C)[NH2+]CCCC[C@H]23)cn1 ZINC000257236302 209973155 /nfs/dbraw/zinc/97/31/55/209973155.db2.gz HBNSPVHCZCQMOB-PXNSSMCTSA-N 1 0 370.522 3.650 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 ZINC000225634888 209824614 /nfs/dbraw/zinc/82/46/14/209824614.db2.gz DBRNPDSYMXHYAD-DYESRHJHSA-N 1 0 362.514 3.941 40 0 FHABRO CCc1ccccc1NC(=S)N1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000225212358 209804292 /nfs/dbraw/zinc/80/42/92/209804292.db2.gz LIZHBSWLHQPQEA-UHFFFAOYSA-N 1 0 365.546 3.731 40 0 FHABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787032 209792325 /nfs/dbraw/zinc/79/23/25/209792325.db2.gz BBLIVHWBMKBSFV-SFHVURJKSA-N 1 0 366.505 3.929 40 0 FHABRO C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000224551237 209789140 /nfs/dbraw/zinc/78/91/40/209789140.db2.gz PLWLAAUILPGLOJ-QGZVFWFLSA-N 1 0 354.469 3.958 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1F ZINC000049169821 209333525 /nfs/dbraw/zinc/33/35/25/209333525.db2.gz QTRAYGNPQZVKQK-INIZCTEOSA-N 1 0 355.388 3.928 40 0 biogenic,in-vitro FHABRO c1csc(NC[C@H]2CO[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1 ZINC000107790682 209280043 /nfs/dbraw/zinc/28/00/43/209280043.db2.gz ODTCPRFBVSPXNF-ICSRJNTNSA-N 1 0 357.523 3.669 40 0 FHABRO CCOc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750298 209218043 /nfs/dbraw/zinc/21/80/43/209218043.db2.gz XQPLZJZQYOWTNX-FVJLSDCUSA-N 1 0 367.493 3.717 40 0 FHABRO CCCC[C@@]12Oc3c4c(ccc3OC)C[C@@H]3C(=CC=C1OC)[C@@]42CC[N@@H+]3C ZINC000096316391 209149682 /nfs/dbraw/zinc/14/96/82/209149682.db2.gz VIVDQLUAHPGFOS-MQNAVGNWSA-N 1 0 367.489 3.985 40 0 biogenic,in-vitro FHABRO c1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccnc5)cn4n3)CC2)nc1 ZINC000096267274 209147239 /nfs/dbraw/zinc/14/72/39/209147239.db2.gz LNPHDILYKQCBIS-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO Cc1ncsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cnccc2C)C1 ZINC000096208798 209135956 /nfs/dbraw/zinc/13/59/56/209135956.db2.gz ZRMBSXZQLQKMKN-QUCCMNQESA-N 1 0 357.523 3.974 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]23CCCN(C(=O)CCc2cccnc2)C3)o1 ZINC000096214593 209136508 /nfs/dbraw/zinc/13/65/08/209136508.db2.gz LUSLUNMMPSDTOX-QFIPXVFZSA-N 1 0 367.493 3.573 40 0 FHABRO COC[C@H]1CCC2(CCN(C(=O)c3csc4ccccc34)CC2)[N@@H+]1C ZINC000096207884 209134066 /nfs/dbraw/zinc/13/40/66/209134066.db2.gz RDGQFFZMGGWFCP-OAHLLOKOSA-N 1 0 358.507 3.617 40 0 FHABRO Cn1cccc1C[NH+]1CCC2(CCN(C(=O)c3ccsc3)CC2)CC1 ZINC000096158429 209127610 /nfs/dbraw/zinc/12/76/10/209127610.db2.gz ORHKRKRCMMTVGV-UHFFFAOYSA-N 1 0 357.523 3.605 40 0 FHABRO Fc1cccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)c1 ZINC000096106767 209113376 /nfs/dbraw/zinc/11/33/76/209113376.db2.gz XQLMRKQQIRXMPR-HXUWFJFHSA-N 1 0 356.441 3.561 40 0 FHABRO c1csc(N2CCC3(CC[C@@H]([NH+]4CCOCC4)c4ccccc43)CC2)n1 ZINC000096079676 209109847 /nfs/dbraw/zinc/10/98/47/209109847.db2.gz PHJIDPLJSCCXJA-LJQANCHMSA-N 1 0 369.534 3.848 40 0 FHABRO c1ccc(C[NH+]2CCC3(CN(C[C@@H]4CCCO4)c4ccccc43)CC2)nc1 ZINC000096078840 209108432 /nfs/dbraw/zinc/10/84/32/209108432.db2.gz DEBHNDPWFQRVLZ-FQEVSTJZSA-N 1 0 363.505 3.614 40 0 FHABRO C[C@@H]1CCCC[N@@H+]1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019496375 220261048 /nfs/dbraw/zinc/26/10/48/220261048.db2.gz SDSGIDKAYNAHTH-CYBMUJFWSA-N 1 0 368.403 3.719 40 0 FHABRO O=C(c1cscn1)N1CC[C@]2(CCC[N@H+]2Cc2cccc(Cl)c2)C1 ZINC000096071073 209106903 /nfs/dbraw/zinc/10/69/03/209106903.db2.gz INRJOWJJGAUNQR-GOSISDBHSA-N 1 0 361.898 3.677 40 0 FHABRO CCCCOCCOCC[NH+](CCOCCCC)CCOCCCC ZINC000005420200 207099299 /nfs/dbraw/zinc/09/92/99/207099299.db2.gz VOYMFFCLVRAYIK-UHFFFAOYSA-N 1 0 361.567 3.755 40 0 FHABRO CCOC(=O)Nc1cc2c(c(N)[nH+]1)N=C(c1ccc3ccccc3c1)CN2 ZINC000005463816 207101567 /nfs/dbraw/zinc/10/15/67/207101567.db2.gz JKAYWEXACKGUEA-UHFFFAOYSA-N 1 0 361.405 3.932 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC(=O)Nc4ccccc4)CC3)[nH]c2cc1C ZINC000035311821 207130600 /nfs/dbraw/zinc/13/06/00/207130600.db2.gz HRMATUXWZXQEIY-UHFFFAOYSA-N 1 0 362.477 3.998 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000007447863 207196128 /nfs/dbraw/zinc/19/61/28/207196128.db2.gz QSPPZQKLJXQRMX-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)ccc1Cl ZINC000008011901 207215986 /nfs/dbraw/zinc/21/59/86/207215986.db2.gz GKKJPRPTLHYSDB-UHFFFAOYSA-N 1 0 372.896 3.939 40 0 FHABRO COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2sccc2C)C[C@@H](C)O)cc1 ZINC000012147046 207343927 /nfs/dbraw/zinc/34/39/27/207343927.db2.gz RZMPZJMLAGPTCD-OAHLLOKOSA-N 1 0 371.506 3.838 40 0 FHABRO CC(C)(CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2)C[NH+]1CCCC1 ZINC000012219977 207348890 /nfs/dbraw/zinc/34/88/90/207348890.db2.gz LKHAVFFYQQRAJM-VSOVRNOCSA-N 1 0 360.517 3.762 40 0 FHABRO COc1ccc2nc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)ccc2c1 ZINC000012240641 207351749 /nfs/dbraw/zinc/35/17/49/207351749.db2.gz MQUFYIMDDKTWCX-UHFFFAOYSA-N 1 0 366.436 3.866 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239705 207351893 /nfs/dbraw/zinc/35/18/93/207351893.db2.gz GBGIAMASRSGOEJ-QGZVFWFLSA-N 1 0 357.523 3.652 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000012292075 207353613 /nfs/dbraw/zinc/35/36/13/207353613.db2.gz KSNFOADMXOIHEX-GOSISDBHSA-N 1 0 365.395 3.722 40 0 FHABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329437 207362354 /nfs/dbraw/zinc/36/23/54/207362354.db2.gz IPODWICUONHWCC-RTWAWAEBSA-N 1 0 367.489 3.688 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccccc2N2CCCC2)CC1 ZINC000012328601 207363905 /nfs/dbraw/zinc/36/39/05/207363905.db2.gz ONTUUOBSRVTQLW-UHFFFAOYSA-N 1 0 366.505 3.779 40 0 FHABRO COc1ccc(CN2Cc3ccccc3O[C@H](C[NH+](C)C)C2)c(C)c1C ZINC000012407693 207371991 /nfs/dbraw/zinc/37/19/91/207371991.db2.gz HDLGSJIMOLOHNW-HXUWFJFHSA-N 1 0 354.494 3.637 40 0 FHABRO Brc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 ZINC000019361746 207663224 /nfs/dbraw/zinc/66/32/24/207663224.db2.gz RYOUYIJYULFNQK-FGTMMUONSA-N 1 0 361.327 3.779 40 0 FHABRO Cc1c(C[N@@H+]2CC[C@@](O)(c3ccc(C)cc3)C2)c(-c2ccccc2)nn1C ZINC000019715878 207702053 /nfs/dbraw/zinc/70/20/53/207702053.db2.gz XPZGPHHWFOAFDS-QHCPKHFHSA-N 1 0 361.489 3.797 40 0 FHABRO C[C@H]1C[C@H](OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000035031468 208116708 /nfs/dbraw/zinc/11/67/08/208116708.db2.gz DBIRBMRBTJPLEL-JQHSSLGASA-N 1 0 355.563 3.593 40 0 FHABRO Cn1cc(CN(Cc2ccccc2F)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740476 208170951 /nfs/dbraw/zinc/17/09/51/208170951.db2.gz JYZOCRUMSIBGJQ-UHFFFAOYSA-N 1 0 358.505 3.871 40 0 FHABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044911449 208321767 /nfs/dbraw/zinc/32/17/67/208321767.db2.gz QGYSTIFJPAOATR-UHFFFAOYSA-N 1 0 366.461 3.714 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)s1 ZINC000096055546 209105568 /nfs/dbraw/zinc/10/55/68/209105568.db2.gz XODLUZWKOYXKFN-IOMROCGXSA-N 1 0 372.534 3.956 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096052582 209102360 /nfs/dbraw/zinc/10/23/60/209102360.db2.gz GZWRRZOWKBNNGM-SFHVURJKSA-N 1 0 366.480 3.983 40 0 FHABRO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2ccsc2)CC12CCOCC2 ZINC000096052247 209102190 /nfs/dbraw/zinc/10/21/90/209102190.db2.gz FCOXYCLYFWLNRY-SFHVURJKSA-N 1 0 356.491 3.615 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(C)c4)C3=O)C2)s1 ZINC000096050572 209101971 /nfs/dbraw/zinc/10/19/71/209101971.db2.gz WJSNWCPRSCEGPR-OAQYLSRUSA-N 1 0 354.519 3.990 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)cc1 ZINC000096047022 209100531 /nfs/dbraw/zinc/10/05/31/209100531.db2.gz GZSDCSKNJIVVJA-NRFANRHFSA-N 1 0 370.518 3.885 40 0 FHABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047625 209100834 /nfs/dbraw/zinc/10/08/34/209100834.db2.gz VODNQTIRZLLDHJ-PZJWPPBQSA-N 1 0 356.441 3.680 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)c1 ZINC000096040224 209098028 /nfs/dbraw/zinc/09/80/28/209098028.db2.gz IMVTZFCPCLNRMK-PMACEKPBSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC000096221033 132222621 /nfs/dbraw/zinc/22/26/21/132222621.db2.gz ALJWKZORBYEDIY-HXUWFJFHSA-N 1 0 351.494 3.650 40 0 FHABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CC2)[nH+]1 ZINC000329026084 132372851 /nfs/dbraw/zinc/37/28/51/132372851.db2.gz PJTFPMNZKVLMJM-UHFFFAOYSA-N 1 0 364.371 3.821 40 0 FHABRO COc1cc2c(cc1OC)CN(c1cc(NC3CC3)[nH+]c(C(C)C)n1)CC2 ZINC000329039747 132372895 /nfs/dbraw/zinc/37/28/95/132372895.db2.gz RZNVDYQUFBMYAX-UHFFFAOYSA-N 1 0 368.481 3.754 40 0 FHABRO Cc1ccc(C)c(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)c1 ZINC000022609063 132906275 /nfs/dbraw/zinc/90/62/75/132906275.db2.gz RWPSHTWSGLHIAM-UHFFFAOYSA-N 1 0 350.510 3.739 40 0 FHABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020460261 523050796 /nfs/dbraw/zinc/05/07/96/523050796.db2.gz KOXNZHOWHBGVCW-JTDSTZFVSA-N 1 0 366.933 3.982 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)cc1 ZINC000225487819 560042690 /nfs/dbraw/zinc/04/26/90/560042690.db2.gz HFMIRPUHVGXFRU-SFHVURJKSA-N 1 0 352.434 3.735 40 0 biogenic,in-vitro FHABRO OC[C@]1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCC[NH2+]C1 ZINC000585263392 570481906 /nfs/dbraw/zinc/48/19/06/570481906.db2.gz YFTKPTBRWCFDMS-FQEVSTJZSA-N 1 0 366.490 3.562 40 0 FHABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000585290077 570495502 /nfs/dbraw/zinc/49/55/02/570495502.db2.gz ZOXAJIGHLJLPMH-PWRODBHTSA-N 1 0 359.441 3.545 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1cccc(C)c1C)C1CCCCC1 ZINC000001710834 570505294 /nfs/dbraw/zinc/50/52/94/570505294.db2.gz PLNDOSVUFDEAFR-JOCHJYFZSA-N 1 0 361.526 3.956 40 0 FHABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345952 570538251 /nfs/dbraw/zinc/53/82/51/570538251.db2.gz XNRRKZXLHWVZJW-KRWDZBQOSA-N 1 0 363.440 3.640 40 0 FHABRO COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000072659555 570621589 /nfs/dbraw/zinc/62/15/89/570621589.db2.gz XLTHLDILRPMXCA-SCTDSRPQSA-N 1 0 374.525 3.611 40 0 FHABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000005499402 570628559 /nfs/dbraw/zinc/62/85/59/570628559.db2.gz ZTARBFNFLZKCMN-UHFFFAOYSA-N 1 0 371.506 3.994 40 0 FHABRO COc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004888018 570672740 /nfs/dbraw/zinc/67/27/40/570672740.db2.gz QQCCGLWWFGZOMU-AYHJJNSGSA-N 1 0 369.465 3.995 40 0 FHABRO C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625708 570679847 /nfs/dbraw/zinc/67/98/47/570679847.db2.gz MOXRYBHQKVVXBZ-CQSZACIVSA-N 1 0 374.916 3.797 40 0 FHABRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@H](O)COCCOc1ccc(Cl)cc1 ZINC000006640849 570681693 /nfs/dbraw/zinc/68/16/93/570681693.db2.gz OSISLWGQAJWPLM-HIRMHNASSA-N 1 0 355.906 3.511 40 0 FHABRO c1csc(-c2cnc(N3CC[N@@H+]4CCC[C@@H]4C3)nc2-c2nccs2)c1 ZINC000012251474 570731472 /nfs/dbraw/zinc/73/14/72/570731472.db2.gz FMAPMGBAPLAYEK-CYBMUJFWSA-N 1 0 369.519 3.613 40 0 FHABRO CSc1ccc(C[N@@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012667490 570756375 /nfs/dbraw/zinc/75/63/75/570756375.db2.gz DSWBONLFJHBUBU-INIZCTEOSA-N 1 0 367.522 3.721 40 0 FHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)cc1 ZINC000006548104 570783428 /nfs/dbraw/zinc/78/34/28/570783428.db2.gz XFUGLZPQYDTOCB-UHFFFAOYSA-N 1 0 357.454 3.548 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CCCOc2ccc(Cl)cc2)CC1 ZINC000013675804 570783990 /nfs/dbraw/zinc/78/39/90/570783990.db2.gz XFJWPRHLPGKLMF-UHFFFAOYSA-N 1 0 352.906 3.737 40 0 FHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000009062613 570797376 /nfs/dbraw/zinc/79/73/76/570797376.db2.gz DMGCMSUCPCDJER-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO CC1CC[NH+](CCCNC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000010540200 570804032 /nfs/dbraw/zinc/80/40/32/570804032.db2.gz KBRCDCNAYSAQTD-UHFFFAOYSA-N 1 0 359.297 3.610 40 0 FHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000044847795 570868027 /nfs/dbraw/zinc/86/80/27/570868027.db2.gz QGLPVVUUDCRGQV-YESZJQIVSA-N 1 0 364.555 3.660 40 0 FHABRO C[C@@H]1Cc2cc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2O1 ZINC000019498165 570872890 /nfs/dbraw/zinc/87/28/90/570872890.db2.gz KFAQMCUSCMTESQ-LHGIQQMGSA-N 1 0 364.489 3.525 40 0 FHABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1cccc(F)c1 ZINC000019017758 570879524 /nfs/dbraw/zinc/87/95/24/570879524.db2.gz MGDMWCCHVCTMBP-YPAWHYETSA-N 1 0 370.443 3.944 40 0 FHABRO Cc1ccc([C@@H](C)CC[NH+]2CCC(O)(Cn3ccc4ccncc43)CC2)o1 ZINC000019216279 570881736 /nfs/dbraw/zinc/88/17/36/570881736.db2.gz JHJVTFBCUWPLMO-KRWDZBQOSA-N 1 0 367.493 3.958 40 0 FHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]CCc3ccc(C)cc3)cc12 ZINC000019210111 570881927 /nfs/dbraw/zinc/88/19/27/570881927.db2.gz UKHRXEVFQCJSPO-UHFFFAOYSA-N 1 0 372.472 3.663 40 0 FHABRO Cc1cccc(-c2cc(C[NH2+]C[C@@H](C)c3ccccc3)c3nnnn3c2)c1 ZINC000019235289 570883107 /nfs/dbraw/zinc/88/31/07/570883107.db2.gz FLLZCFRGKBHFRY-QGZVFWFLSA-N 1 0 357.461 3.993 40 0 FHABRO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cccs2)nc(-c2ccccn2)[nH]1 ZINC000019402761 570888710 /nfs/dbraw/zinc/88/87/10/570888710.db2.gz APVVLQULSOTBME-QGZVFWFLSA-N 1 0 352.463 3.621 40 0 FHABRO CCC[NH+]1CCC(C[C@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)CC1 ZINC000019502607 570890705 /nfs/dbraw/zinc/89/07/05/570890705.db2.gz FHDIGGKYNQPFLX-GOSISDBHSA-N 1 0 372.509 3.933 40 0 FHABRO CCCn1nc(C)c(CN(Cc2ccccn2)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000019525839 570891508 /nfs/dbraw/zinc/89/15/08/570891508.db2.gz AAIROKZFBDGWML-NRFANRHFSA-N 1 0 369.557 3.791 40 0 FHABRO CCCn1nc(C)c(CN(Cc2ccccn2)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000019525840 570891615 /nfs/dbraw/zinc/89/16/15/570891615.db2.gz AAIROKZFBDGWML-OAQYLSRUSA-N 1 0 369.557 3.791 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccccn1 ZINC000019527153 570892072 /nfs/dbraw/zinc/89/20/72/570892072.db2.gz QBHGCPOOLWIGCX-LJQANCHMSA-N 1 0 355.530 3.589 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c(C)nc2sccn12)Cc1ccccn1 ZINC000019527147 570892080 /nfs/dbraw/zinc/89/20/80/570892080.db2.gz OVJLTTMCMMEUDM-GOSISDBHSA-N 1 0 369.538 3.586 40 0 FHABRO CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1)OCO2 ZINC000019532561 570892130 /nfs/dbraw/zinc/89/21/30/570892130.db2.gz SPKPJKXBALXQGD-WMLDXEAASA-N 1 0 358.438 3.611 40 0 FHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557232 570892602 /nfs/dbraw/zinc/89/26/02/570892602.db2.gz AAZWNJPWIMCQEI-RBUKOAKNSA-N 1 0 351.425 3.941 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019555050 570892657 /nfs/dbraw/zinc/89/26/57/570892657.db2.gz VWWBFBQDWBDVAN-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO Cc1nn(C[C@@H](C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)c(C)c1C ZINC000019556916 570892722 /nfs/dbraw/zinc/89/27/22/570892722.db2.gz YXJLAUFTKJCLLG-QGZVFWFLSA-N 1 0 374.573 3.749 40 0 FHABRO COCCC[N@H+](Cc1ccccn1)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000019566871 570894142 /nfs/dbraw/zinc/89/41/42/570894142.db2.gz XYVPHLPUNVAPKQ-UHFFFAOYSA-N 1 0 364.493 3.923 40 0 FHABRO COc1ccc2c(C[NH+]3CCC(n4nc(C)cc4C)CC3)cn(C)c2c1 ZINC000019658746 570896786 /nfs/dbraw/zinc/89/67/86/570896786.db2.gz HPSUOZLTDBJGDN-UHFFFAOYSA-N 1 0 352.482 3.837 40 0 FHABRO Cn1cnc2ccc(NC(=O)CC3CC[NH+](C4CCCCC4)CC3)cc21 ZINC000019748329 570902208 /nfs/dbraw/zinc/90/22/08/570902208.db2.gz CXENZKFRZVARST-UHFFFAOYSA-N 1 0 354.498 3.947 40 0 FHABRO Cc1ccc(OCCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000023134133 570956826 /nfs/dbraw/zinc/95/68/26/570956826.db2.gz OMLVNAZAEVACEP-UHFFFAOYSA-N 1 0 367.493 3.545 40 0 FHABRO O=C(CCCOc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024115111 570972171 /nfs/dbraw/zinc/97/21/71/570972171.db2.gz CSSZVWRSIZFXMK-UHFFFAOYSA-N 1 0 352.478 3.758 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000024189347 570972587 /nfs/dbraw/zinc/97/25/87/570972587.db2.gz SIJMZKZXXVTGDY-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000224531771 570992115 /nfs/dbraw/zinc/99/21/15/570992115.db2.gz LICMBKFEVGLWCT-UHFFFAOYSA-N 1 0 352.478 3.992 40 0 FHABRO O=C(CSCc1ccccc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224635564 570995639 /nfs/dbraw/zinc/99/56/39/570995639.db2.gz FQLIQDWCDPFFOE-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039761845 571022884 /nfs/dbraw/zinc/02/28/84/571022884.db2.gz DDAHUIAQZZRDFY-MRXNPFEDSA-N 1 0 370.468 3.924 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OC ZINC000039759215 571026131 /nfs/dbraw/zinc/02/61/31/571026131.db2.gz DVKVTBJRPRXROG-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccs4)C[C@@H]2C3)cc1 ZINC000306135168 571038933 /nfs/dbraw/zinc/03/89/33/571038933.db2.gz OJSVPQZBCAVOEE-DLBZAZTESA-N 1 0 365.502 3.925 40 0 FHABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306135557 571039704 /nfs/dbraw/zinc/03/97/04/571039704.db2.gz OURLJPGCAREQQP-IBGZPJMESA-N 1 0 370.460 3.566 40 0 FHABRO CCc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)cc1 ZINC000306138977 571041132 /nfs/dbraw/zinc/04/11/32/571041132.db2.gz SMDCHZVORPAGBR-UHFFFAOYSA-N 1 0 370.518 3.520 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(Br)c1 ZINC000225620819 571050270 /nfs/dbraw/zinc/05/02/70/571050270.db2.gz MDCXRPLGNVXIIK-QGZVFWFLSA-N 1 0 367.331 3.762 40 0 FHABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225635062 571051410 /nfs/dbraw/zinc/05/14/10/571051410.db2.gz HDUUDDQKRIJQIP-UWJYYQICSA-N 1 0 360.498 3.695 40 0 FHABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC(C)CC1 ZINC000225668403 571054421 /nfs/dbraw/zinc/05/44/21/571054421.db2.gz IVWTXAMCGTTXGH-UHFFFAOYSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225689081 571056208 /nfs/dbraw/zinc/05/62/08/571056208.db2.gz UMHFYTCIOBEAMF-HXUWFJFHSA-N 1 0 350.503 3.797 40 0 FHABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225727093 571059554 /nfs/dbraw/zinc/05/95/54/571059554.db2.gz XRTBTIRJUPZAFG-QGZVFWFLSA-N 1 0 362.514 3.941 40 0 FHABRO Clc1nnc2c(C[N@@H+](Cc3ccccc3)C[C@@H]3CCCO3)c[nH]cc1-2 ZINC000057811024 571123150 /nfs/dbraw/zinc/12/31/50/571123150.db2.gz SVOGFUOETIBZJE-INIZCTEOSA-N 1 0 356.857 3.793 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@H]32)s1 ZINC000248113448 571127868 /nfs/dbraw/zinc/12/78/68/571127868.db2.gz RPOKHDYDPWYAEF-MISYRCLQSA-N 1 0 358.507 3.648 40 0 FHABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3ccnc(C)n3)CC2)ccn1 ZINC000257242910 571153715 /nfs/dbraw/zinc/15/37/15/571153715.db2.gz IERMICSBGOBVNA-UHFFFAOYSA-N 1 0 363.465 3.831 40 0 FHABRO Cc1cccnc1Nc1nccnc1[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000257248503 571154075 /nfs/dbraw/zinc/15/40/75/571154075.db2.gz JDXPTWSQPDZQEP-GOSISDBHSA-N 1 0 367.497 3.530 40 0 FHABRO c1ncc(C[N@H+]2CCC[C@H](Cc3cc(Nc4ccccn4)ncn3)C2)s1 ZINC000257259305 571155406 /nfs/dbraw/zinc/15/54/06/571155406.db2.gz KXSODSRWSDKXFP-OAHLLOKOSA-N 1 0 366.494 3.526 40 0 FHABRO Cc1cccnc1C[N@@H+]1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000257265934 571155915 /nfs/dbraw/zinc/15/59/15/571155915.db2.gz MAXUFVNIZUUSHA-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO C[NH+](C)Cc1cccc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 ZINC000257270079 571156432 /nfs/dbraw/zinc/15/64/32/571156432.db2.gz MSRMNTJJADPYLR-KRWDZBQOSA-N 1 0 355.507 3.671 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2Br)C1 ZINC000067801301 571174283 /nfs/dbraw/zinc/17/42/83/571174283.db2.gz BQHSQMQLYLXFGR-AWEZNQCLSA-N 1 0 369.303 3.938 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 ZINC000072358126 571183274 /nfs/dbraw/zinc/18/32/74/571183274.db2.gz PGTGUYPLEWASDS-OAQYLSRUSA-N 1 0 350.441 3.882 40 0 FHABRO NC(=O)c1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1 ZINC000072358340 571183588 /nfs/dbraw/zinc/18/35/88/571183588.db2.gz ONHWJZLTQAWGQN-GOSISDBHSA-N 1 0 364.493 3.755 40 0 FHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369890 571185005 /nfs/dbraw/zinc/18/50/05/571185005.db2.gz VXAOGPVVMXTIIZ-KRWDZBQOSA-N 1 0 365.433 3.614 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376038 571185727 /nfs/dbraw/zinc/18/57/27/571185727.db2.gz JPPUMDZBIXZKKQ-QGZVFWFLSA-N 1 0 362.481 3.642 40 0 FHABRO Fc1ccc(OCC[N@@H+]2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378805 571187389 /nfs/dbraw/zinc/18/73/89/571187389.db2.gz RCMFNLKINOSOFM-KRWDZBQOSA-N 1 0 366.440 3.665 40 0 FHABRO Cc1ccsc1C[NH+]1CCC(c2cc(=O)[nH]c(-c3cccnc3)n2)CC1 ZINC000072392767 571190334 /nfs/dbraw/zinc/19/03/34/571190334.db2.gz OHEWNLVYUMJMQC-UHFFFAOYSA-N 1 0 366.490 3.994 40 0 FHABRO c1cncc(-c2ccc3nc([C@@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306131392 571213879 /nfs/dbraw/zinc/21/38/79/571213879.db2.gz KDCYUZSIJVQSIM-HXUWFJFHSA-N 1 0 370.460 3.566 40 0 FHABRO c1cc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)cs1 ZINC000306132371 571214167 /nfs/dbraw/zinc/21/41/67/571214167.db2.gz LGUWBIIHCZYVNQ-NRFANRHFSA-N 1 0 362.502 3.702 40 0 FHABRO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@@H](CCNc2ccccn2)C1 ZINC000585095063 571219829 /nfs/dbraw/zinc/21/98/29/571219829.db2.gz CKCAUVRHKAUTPM-KRWDZBQOSA-N 1 0 367.522 3.782 40 0 FHABRO O=C(c1ccc2ccccc2c1)N1CCC[C@@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585101761 571222036 /nfs/dbraw/zinc/22/20/36/571222036.db2.gz DWYRCNGAGPJNNT-JTHBVZDNSA-N 1 0 364.489 3.699 40 0 FHABRO Fc1cccnc1O[C@H]1CSC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000585104010 571222585 /nfs/dbraw/zinc/22/25/85/571222585.db2.gz FMXRGUZRDDIWEH-OAHLLOKOSA-N 1 0 369.465 3.841 40 0 FHABRO CC(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000585103009 571223124 /nfs/dbraw/zinc/22/31/24/571223124.db2.gz KTMRCBIURVMTNG-UHFFFAOYSA-N 1 0 352.425 3.844 40 0 FHABRO c1cc2c(cccc2C[NH+]2CC3(C2)C[C@@H](Oc2cccnc2)CS3)[nH]1 ZINC000585103363 571223451 /nfs/dbraw/zinc/22/34/51/571223451.db2.gz AVFIBUANWNCEPK-QGZVFWFLSA-N 1 0 351.475 3.702 40 0 FHABRO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccncc1 ZINC000585109818 571225099 /nfs/dbraw/zinc/22/50/99/571225099.db2.gz WXKXLPRNJJJWIU-RJGXRXQPSA-N 1 0 369.468 3.782 40 0 FHABRO COCC[N@@H+]1CCCC[C@@H]1C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000585113204 571226542 /nfs/dbraw/zinc/22/65/42/571226542.db2.gz CHJWYIFCLULILF-OAQYLSRUSA-N 1 0 358.526 3.657 40 0 FHABRO Cc1c[nH]c(-c2cc(C[C@H]3CC[N@H+](Cc4cccc5[nH]ccc54)C3)ncn2)n1 ZINC000585182523 571238211 /nfs/dbraw/zinc/23/82/11/571238211.db2.gz AHDOZWVMBULGLP-MRXNPFEDSA-N 1 0 372.476 3.721 40 0 FHABRO c1c[nH]c(-c2cnc(C[C@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)cn2)n1 ZINC000585182390 571238409 /nfs/dbraw/zinc/23/84/09/571238409.db2.gz GDKRSPIFVNRRAP-MRXNPFEDSA-N 1 0 372.476 3.803 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000083264777 571278012 /nfs/dbraw/zinc/27/80/12/571278012.db2.gz SQEYYOTXYIGUHR-OAHLLOKOSA-N 1 0 369.303 3.938 40 0 FHABRO Fc1cc(CN2CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000199737680 571278115 /nfs/dbraw/zinc/27/81/15/571278115.db2.gz RFXJKFXVCWSWGF-UHFFFAOYSA-N 1 0 363.274 3.906 40 0 FHABRO C[C@H](Cc1ccccn1)NC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000253608646 571291846 /nfs/dbraw/zinc/29/18/46/571291846.db2.gz SUAITDBMAAHHOH-DBXWQHBBSA-N 1 0 351.494 3.745 40 0 FHABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063604 571302637 /nfs/dbraw/zinc/30/26/37/571302637.db2.gz VYLWOWGXEQBHOI-UHFFFAOYSA-N 1 0 369.440 3.635 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1cccc(F)c1 ZINC000019712595 571304670 /nfs/dbraw/zinc/30/46/70/571304670.db2.gz RFQXYFNYFOGLNR-VWPQPMDRSA-N 1 0 352.453 3.853 40 0 FHABRO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044933111 571306311 /nfs/dbraw/zinc/30/63/11/571306311.db2.gz WDVLMUIGDYQGME-PXNSSMCTSA-N 1 0 352.478 3.785 40 0 FHABRO c1csc(-c2ccc(N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nn2)c1 ZINC000409430511 931630836 /nfs/dbraw/zinc/63/08/36/931630836.db2.gz WJOUWGRPDZGMHO-ROUUACIJSA-N 1 0 362.502 3.773 40 0 FHABRO c1csc(-c2ccc(N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nn2)c1 ZINC000409430510 931630885 /nfs/dbraw/zinc/63/08/85/931630885.db2.gz WJOUWGRPDZGMHO-QZTJIDSGSA-N 1 0 362.502 3.773 40 0 FHABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260529548 941405194 /nfs/dbraw/zinc/40/51/94/941405194.db2.gz IFJFHGQVMURPJP-XLIONFOSSA-N 1 0 362.514 3.623 40 0 FHABRO Cc1ncc(-c2cccc(C3CC[NH+](Cc4cncs4)CC3)n2)n1C ZINC000257339297 210001763 /nfs/dbraw/zinc/00/17/63/210001763.db2.gz ZBCWBSMBAKXMOC-UHFFFAOYSA-N 1 0 353.495 3.627 40 0 FHABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NC3CC[NH2+]CC3)c1O)OC2(C)C ZINC000257336663 210003368 /nfs/dbraw/zinc/00/33/68/210003368.db2.gz YPKPIGVMLGZLFI-KBRIMQKVSA-N 1 0 372.509 3.565 40 0 FHABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257338731 210002366 /nfs/dbraw/zinc/00/23/66/210002366.db2.gz YYSWVOPBLLKBOC-OAHLLOKOSA-N 1 0 366.494 3.760 40 0 FHABRO COc1ccc2[nH]c(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@@H+]4C)cc2c1 ZINC000257277900 209986224 /nfs/dbraw/zinc/98/62/24/209986224.db2.gz NZYZBVKOHDYSFS-FPOVZHCZSA-N 1 0 355.482 3.656 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224790967 209792200 /nfs/dbraw/zinc/79/22/00/209792200.db2.gz JJTQNZYMJHKHSI-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000224553630 209788093 /nfs/dbraw/zinc/78/80/93/209788093.db2.gz KUEQAHVFQWVZKL-UHFFFAOYSA-N 1 0 356.441 3.823 40 0 FHABRO CC[C@@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008326317 209511895 /nfs/dbraw/zinc/51/18/95/209511895.db2.gz XMWMUOAWBIIXIC-KRWDZBQOSA-N 1 0 364.283 3.889 40 0 FHABRO C[NH+](C)CCCNc1nc(NCc2ccccn2)cc(-c2ccccc2)n1 ZINC000243783085 209366440 /nfs/dbraw/zinc/36/64/40/209366440.db2.gz QGKBVFHKHRPUTL-UHFFFAOYSA-N 1 0 362.481 3.514 40 0 FHABRO Cc1cc2c(cc1C)[n+](C[C@H](O)COc1ccc3ccccc3c1)cn2C ZINC000000889918 209379959 /nfs/dbraw/zinc/37/99/59/209379959.db2.gz QKTBEIYLSCDSPD-FQEVSTJZSA-N 1 0 361.465 3.676 40 0 FHABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)o2)cc1 ZINC000049170107 209333682 /nfs/dbraw/zinc/33/36/82/209333682.db2.gz PZAYSPDHWATIHV-INIZCTEOSA-N 1 0 353.397 3.874 40 0 biogenic,in-vitro FHABRO C[NH+]1CCC(CCNC(=O)c2cccc(OCc3ccccc3)c2)CC1 ZINC000110066404 209318907 /nfs/dbraw/zinc/31/89/07/209318907.db2.gz DMDLBWUONMMBEC-UHFFFAOYSA-N 1 0 352.478 3.727 40 0 FHABRO Cc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@H]2CC=CCC2)CC3)n1 ZINC000108527745 209288241 /nfs/dbraw/zinc/28/82/41/209288241.db2.gz JCROWQNVLMUBSC-IBGZPJMESA-N 1 0 353.510 3.561 40 0 FHABRO Cn1ccnc1C[NH+]1CCC2(CN(c3cccnc3)c3ccccc32)CC1 ZINC000096241292 209143650 /nfs/dbraw/zinc/14/36/50/209143650.db2.gz MJAQIZZLSZYXQQ-UHFFFAOYSA-N 1 0 359.477 3.501 40 0 FHABRO Cn1cncc1C[NH+]1CCC2(CN(c3cccnc3)c3ccccc32)CC1 ZINC000096241293 209143103 /nfs/dbraw/zinc/14/31/03/209143103.db2.gz HSGNIAPCPBGJPM-UHFFFAOYSA-N 1 0 359.477 3.501 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3cccs3)CC2)N1Cc1ccncc1 ZINC000096218086 209138178 /nfs/dbraw/zinc/13/81/78/209138178.db2.gz XKRUOMQAKFVGPT-FQEVSTJZSA-N 1 0 355.507 3.690 40 0 FHABRO Cc1noc(C)c1CN1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216275 209136465 /nfs/dbraw/zinc/13/64/65/209136465.db2.gz DYSNMLCHGORSGO-QFIPXVFZSA-N 1 0 369.509 3.658 40 0 FHABRO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@H]3COCc3ccccn3)C2)c1 ZINC000096160960 209126945 /nfs/dbraw/zinc/12/69/45/209126945.db2.gz QHSRJAMPMPODCL-PXNSSMCTSA-N 1 0 358.507 3.731 40 0 FHABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096081063 209109479 /nfs/dbraw/zinc/10/94/79/209109479.db2.gz KABBIPMQJNHTOO-CALCHBBNSA-N 1 0 355.869 3.936 40 0 FHABRO CC(C)C(=[NH2+])N[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl ZINC000003109672 206957526 /nfs/dbraw/zinc/95/75/26/206957526.db2.gz RICNYAJJWJTAOJ-GFCCVEGCSA-N 1 0 371.095 3.989 40 0 FHABRO CCOc1ccc(NC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000004429621 207019854 /nfs/dbraw/zinc/01/98/54/207019854.db2.gz IVBGOSVLURUGPB-IBGZPJMESA-N 1 0 352.478 3.979 40 0 FHABRO Cc1cccc2c(C(=O)N[C@@H](C)C[NH+]3CCCC3)cc(-c3ccccn3)nc12 ZINC000035316655 207132306 /nfs/dbraw/zinc/13/23/06/207132306.db2.gz PVJNWOMEJKYDEU-KRWDZBQOSA-N 1 0 374.488 3.819 40 0 FHABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000006462776 207140286 /nfs/dbraw/zinc/14/02/86/207140286.db2.gz BICWFYLWWFIDBC-UHFFFAOYSA-N 1 0 372.444 3.541 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007696792 207201992 /nfs/dbraw/zinc/20/19/92/207201992.db2.gz IMLSRBRTGPZTJI-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO COc1cccc(CNCCC[NH+](C)C)c1OCc1ccccc1Cl ZINC000008373902 207230977 /nfs/dbraw/zinc/23/09/77/207230977.db2.gz CRXVSTXZKILNTH-UHFFFAOYSA-N 1 0 362.901 3.969 40 0 FHABRO COc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000008406290 207233001 /nfs/dbraw/zinc/23/30/01/207233001.db2.gz GQVJOADFBSQQIM-JLHYYAGUSA-N 1 0 350.462 3.621 40 0 FHABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCC[NH+]1Cc2ccccc2C1 ZINC000012147204 207344359 /nfs/dbraw/zinc/34/43/59/207344359.db2.gz YGZQYJWFTILSMY-UHFFFAOYSA-N 1 0 360.461 3.521 40 0 FHABRO COc1ccccc1C[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCO1 ZINC000012187560 207345964 /nfs/dbraw/zinc/34/59/64/207345964.db2.gz NRGWFUMYWKMQCA-NRFANRHFSA-N 1 0 368.477 3.835 40 0 FHABRO CSc1ccc(C[N@@H+]2CCC[C@@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012086798 207336452 /nfs/dbraw/zinc/33/64/52/207336452.db2.gz ZKWDGGSAXVAMNG-NRFANRHFSA-N 1 0 368.502 3.566 40 0 FHABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000012119116 207339224 /nfs/dbraw/zinc/33/92/24/207339224.db2.gz JNWQBDJYDCYTPV-QGZVFWFLSA-N 1 0 352.434 3.830 40 0 FHABRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128510 207341650 /nfs/dbraw/zinc/34/16/50/207341650.db2.gz WSXMGCOQYDZWDR-LEWJYISDSA-N 1 0 363.461 3.810 40 0 FHABRO O=c1oc2ccccc2n1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000012143880 207342587 /nfs/dbraw/zinc/34/25/87/207342587.db2.gz NINPTHFFEOIPFX-UHFFFAOYSA-N 1 0 359.429 3.980 40 0 FHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccccc1 ZINC000012293324 207352432 /nfs/dbraw/zinc/35/24/32/207352432.db2.gz OSRVTZRKUNSAPD-MOPGFXCFSA-N 1 0 373.880 3.724 40 0 FHABRO Cc1ccc(C2(O)CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1 ZINC000012330689 207362616 /nfs/dbraw/zinc/36/26/16/207362616.db2.gz DJIVAVGIMMYYQV-UHFFFAOYSA-N 1 0 365.452 3.803 40 0 FHABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1OC ZINC000012329294 207363705 /nfs/dbraw/zinc/36/37/05/207363705.db2.gz WWULQMSBMWWTIV-GPHNJDIKSA-N 1 0 357.494 3.912 40 0 FHABRO O=C(NCc1ccccc1)[C@]1(Cc2ccccc2-c2cccnc2)CC[NH2+]C1 ZINC000019372653 207665675 /nfs/dbraw/zinc/66/56/75/207665675.db2.gz AQMODGPHQMSAJV-DEOSSOPVSA-N 1 0 371.484 3.587 40 0 FHABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)n1 ZINC000019572894 207683625 /nfs/dbraw/zinc/68/36/25/207683625.db2.gz ZIPBHABVJLPPRW-UXHICEINSA-N 1 0 360.546 3.708 40 0 FHABRO CC[C@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556142 208001730 /nfs/dbraw/zinc/00/17/30/208001730.db2.gz KPLIUQZULFTERG-NRFANRHFSA-N 1 0 352.478 3.756 40 0 FHABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000030752776 208003740 /nfs/dbraw/zinc/00/37/40/208003740.db2.gz NQGUWQQWSKTMPG-OAQYLSRUSA-N 1 0 354.494 3.989 40 0 FHABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCCC1 ZINC000030758143 208003965 /nfs/dbraw/zinc/00/39/65/208003965.db2.gz BHZADZIUMJHRNX-FQEVSTJZSA-N 1 0 354.494 3.989 40 0 FHABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030946125 208008731 /nfs/dbraw/zinc/00/87/31/208008731.db2.gz ZNIWWLJFSFKPMR-LJQANCHMSA-N 1 0 370.468 3.705 40 0 FHABRO C[C@@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 ZINC000036719528 208172078 /nfs/dbraw/zinc/17/20/78/208172078.db2.gz NBDFZZHBQPJTOU-HKUYNNGSSA-N 1 0 374.488 3.815 40 0 FHABRO COCCC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1 ZINC000036743639 208172693 /nfs/dbraw/zinc/17/26/93/208172693.db2.gz LRNVOTJGFDZIAF-UHFFFAOYSA-N 1 0 350.934 3.804 40 0 FHABRO COc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848814 208207916 /nfs/dbraw/zinc/20/79/16/208207916.db2.gz YYFTXJSOXGETMZ-SFHVURJKSA-N 1 0 372.896 3.877 40 0 FHABRO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000038834749 208205977 /nfs/dbraw/zinc/20/59/77/208205977.db2.gz XEQPSOGRTHTYIT-QGZVFWFLSA-N 1 0 354.450 3.555 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000083552567 208311404 /nfs/dbraw/zinc/31/14/04/208311404.db2.gz PRMNJZYGYAPRJX-CQSZACIVSA-N 1 0 355.276 3.548 40 0 FHABRO CN(Cc1ccco1)[C@@H]1C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO[C@H]12 ZINC000096057144 209103989 /nfs/dbraw/zinc/10/39/89/209103989.db2.gz LRSFRBQZLJKHQT-WMQCIHAUSA-N 1 0 358.457 3.530 40 0 FHABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1nccs1)CC2 ZINC000096047222 209100091 /nfs/dbraw/zinc/10/00/91/209100091.db2.gz HMOYXMCVYSSZMR-UHFFFAOYSA-N 1 0 361.536 3.723 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053233 209103269 /nfs/dbraw/zinc/10/32/69/209103269.db2.gz GXXTVHAYCDYHED-LJQANCHMSA-N 1 0 368.521 3.810 40 0 FHABRO Fc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047878 209100711 /nfs/dbraw/zinc/10/07/11/209100711.db2.gz VDSIUEWTRBAYFJ-HXUWFJFHSA-N 1 0 356.441 3.561 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)s1 ZINC000096047119 209100495 /nfs/dbraw/zinc/10/04/95/209100495.db2.gz NYLYVZMGXXVUDU-OAQYLSRUSA-N 1 0 369.534 3.509 40 0 FHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@H+](Cc3ccc4ncccc4c3)C[C@H]21 ZINC000072392522 208844409 /nfs/dbraw/zinc/84/44/09/208844409.db2.gz QOHAXFXWJLMYLQ-MZKRTTBSSA-N 1 0 359.473 3.668 40 0 FHABRO c1cc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)co1 ZINC000096038242 209098256 /nfs/dbraw/zinc/09/82/56/209098256.db2.gz OACGDSVERWLODH-UHFFFAOYSA-N 1 0 359.433 3.764 40 0 FHABRO Cc1ccc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)o1 ZINC000096038270 209098452 /nfs/dbraw/zinc/09/84/52/209098452.db2.gz LPQMGHUSNGEWGW-UHFFFAOYSA-N 1 0 365.481 3.611 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 ZINC000096040234 209098182 /nfs/dbraw/zinc/09/81/82/209098182.db2.gz CVVMBBBQWHFGPD-NHCUHLMSSA-N 1 0 356.466 3.571 40 0 FHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)cs1 ZINC000096040176 209098123 /nfs/dbraw/zinc/09/81/23/209098123.db2.gz ZUGYZQHBLMXGKS-PMACEKPBSA-N 1 0 358.507 3.731 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cc1 ZINC000096046952 209099848 /nfs/dbraw/zinc/09/98/48/209099848.db2.gz NJAOWTPPKYPKKH-JOCHJYFZSA-N 1 0 351.494 3.578 40 0 FHABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329007251 132372320 /nfs/dbraw/zinc/37/23/20/132372320.db2.gz LKCMEXSKMINCRO-UHFFFAOYSA-N 1 0 364.371 3.821 40 0 FHABRO CC[C@@H](C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C)[nH+]1 ZINC000329066919 132373262 /nfs/dbraw/zinc/37/32/62/132373262.db2.gz YEVCYGQOZGCTOY-CQSZACIVSA-N 1 0 354.498 3.786 40 0 FHABRO Cc1cccc(C[NH2+]C[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)n1 ZINC000096296368 560060276 /nfs/dbraw/zinc/06/02/76/560060276.db2.gz CDCCHHNHWRJRJP-SFHVURJKSA-N 1 0 368.868 3.596 40 0 biogenic,in-vitro FHABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000216199520 568111825 /nfs/dbraw/zinc/11/18/25/568111825.db2.gz KMSXHIJLYUFSCZ-MBOZVWFJSA-N 1 0 360.542 3.863 40 0 FHABRO CCN(CC)CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000022075274 568203716 /nfs/dbraw/zinc/20/37/16/568203716.db2.gz WMDBQNHBLDCRGM-UHFFFAOYSA-N 1 0 360.473 3.845 40 0 FHABRO C[NH+](C)CCN(Cc1cccs1)Cc1cc2c(cc1Cl)OCO2 ZINC000023247851 568394122 /nfs/dbraw/zinc/39/41/22/568394122.db2.gz ILTORWHGAOULIK-UHFFFAOYSA-N 1 0 352.887 3.694 40 0 FHABRO CCc1ccc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000223705811 568706732 /nfs/dbraw/zinc/70/67/32/568706732.db2.gz SLZBOSSXTQTREW-UHFFFAOYSA-N 1 0 352.478 3.903 40 0 FHABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC000585272447 570486854 /nfs/dbraw/zinc/48/68/54/570486854.db2.gz IUTOKCFSYFYTCO-JOCHJYFZSA-N 1 0 355.478 3.805 40 0 FHABRO COc1cccc(C[NH2+][C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)c1 ZINC000585286863 570494688 /nfs/dbraw/zinc/49/46/88/570494688.db2.gz VWMWPIFFJBTSKG-GOTSBHOMSA-N 1 0 366.505 3.715 40 0 FHABRO C[N@H+](CCc1ccccn1)[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289380 570494995 /nfs/dbraw/zinc/49/49/95/570494995.db2.gz IVFOCDSXRBBJJW-XUVXKRRUSA-N 1 0 360.885 3.570 40 0 FHABRO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H](Oc3cccc(C)c3)[C@@H]2O)c1 ZINC000585289903 570495487 /nfs/dbraw/zinc/49/54/87/570495487.db2.gz WWDJFKWULZAEHD-BHDDXSALSA-N 1 0 355.478 3.796 40 0 FHABRO CCCOC(C(=O)OC1CC[NH+](C)CC1)(c1ccccc1)c1ccccc1 ZINC000001530934 570501826 /nfs/dbraw/zinc/50/18/26/570501826.db2.gz QPCVHQBVMYCJOM-UHFFFAOYSA-N 1 0 367.489 3.994 40 0 world FHABRO CC[NH+](CC)C[C@H](O)c1cc(Br)cc(Br)c1 ZINC000001718249 570505522 /nfs/dbraw/zinc/50/55/22/570505522.db2.gz GKEFJYGSBIPDAM-LBPRGKRZSA-N 1 0 351.082 3.587 40 0 FHABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216461 570533436 /nfs/dbraw/zinc/53/34/36/570533436.db2.gz WHBKVIBZPMSGON-GOSISDBHSA-N 1 0 374.529 3.684 40 0 FHABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(OC)c4)C3)n2)cc1 ZINC000072369923 570546722 /nfs/dbraw/zinc/54/67/22/570546722.db2.gz HGHOZMSIGOZAKC-QGZVFWFLSA-N 1 0 365.433 3.743 40 0 FHABRO CC(C)(C)OC(=O)NCC1(c2cccc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000079034435 570697144 /nfs/dbraw/zinc/69/71/44/570697144.db2.gz PMACSCUBVLCSED-UHFFFAOYSA-N 1 0 358.404 3.851 40 0 FHABRO CCOc1cc([C@@H]2C=C(c3ccc(Cl)cc3)[NH+]=C3N=CNN32)ccc1O ZINC000408918034 570699579 /nfs/dbraw/zinc/69/95/79/570699579.db2.gz FJMMWTHNOQKBRB-INIZCTEOSA-N 1 0 368.824 3.745 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012292600 570732365 /nfs/dbraw/zinc/73/23/65/570732365.db2.gz RLMWXUHCCWPNBR-QFIPXVFZSA-N 1 0 369.480 3.722 40 0 FHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000006548107 570783131 /nfs/dbraw/zinc/78/31/31/570783131.db2.gz LJGFIOHSIZSEBK-UHFFFAOYSA-N 1 0 371.481 3.938 40 0 FHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1F ZINC000006548322 570783344 /nfs/dbraw/zinc/78/33/44/570783344.db2.gz MFJPUAOWNDKYMO-UHFFFAOYSA-N 1 0 371.481 3.938 40 0 FHABRO CC1CC[NH+](CCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000010540955 570803859 /nfs/dbraw/zinc/80/38/59/570803859.db2.gz KLENZXADOANXJC-UHFFFAOYSA-N 1 0 357.542 3.524 40 0 FHABRO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc(C)c1Cl ZINC000010541005 570804426 /nfs/dbraw/zinc/80/44/26/570804426.db2.gz MSKWKPQDNSPDRA-KRWDZBQOSA-N 1 0 366.933 3.962 40 0 FHABRO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc2c1OCO2 ZINC000013993342 570840518 /nfs/dbraw/zinc/84/05/18/570840518.db2.gz WYEGNDCKPGASIA-SFHVURJKSA-N 1 0 355.434 3.605 40 0 FHABRO CC1CC[NH+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373060 570842309 /nfs/dbraw/zinc/84/23/09/570842309.db2.gz SSVNURBAVCWUAX-JOCHJYFZSA-N 1 0 353.506 3.928 40 0 FHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019019503 570879489 /nfs/dbraw/zinc/87/94/89/570879489.db2.gz OIFRQQARQQJNKF-UFYCRDLUSA-N 1 0 358.482 3.724 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000019019746 570879509 /nfs/dbraw/zinc/87/95/09/570879509.db2.gz CTOYQLVRUVAXLO-QFIPXVFZSA-N 1 0 368.452 3.601 40 0 FHABRO CC(C)(C)c1ccc(C(=O)Nc2ccccc2C[NH+]2CCCCC2)c(=O)[nH]1 ZINC000019084412 570880192 /nfs/dbraw/zinc/88/01/92/570880192.db2.gz PHQVMPRWFSUMTL-UHFFFAOYSA-N 1 0 367.493 3.911 40 0 FHABRO Cc1ccc(C)c(N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000019133736 570880741 /nfs/dbraw/zinc/88/07/41/570880741.db2.gz VZYOEZCTRYVAES-QFIPXVFZSA-N 1 0 367.468 3.779 40 0 FHABRO Cc1nc2cccnc2n1C1CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000019286767 570883979 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/nfs/dbraw/zinc/99/23/72/570992372.db2.gz CVEOPGDOMCEFFF-UHFFFAOYSA-N 1 0 372.896 3.747 40 0 FHABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224597561 570993807 /nfs/dbraw/zinc/99/38/07/570993807.db2.gz CIWCFCPWYUAHJV-MRXNPFEDSA-N 1 0 370.468 3.924 40 0 FHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224699414 570997789 /nfs/dbraw/zinc/99/77/89/570997789.db2.gz XHOPNVMOVVTGAE-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224791181 571000958 /nfs/dbraw/zinc/00/09/58/571000958.db2.gz KLGDUGMOKMOYAD-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1cccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000224828498 571001939 /nfs/dbraw/zinc/00/19/39/571001939.db2.gz GBBIHVAEABDZHG-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224990448 571009258 /nfs/dbraw/zinc/00/92/58/571009258.db2.gz AYCYBCUALMGSGP-GASCZTMLSA-N 1 0 352.906 3.592 40 0 FHABRO Fc1ccc(NC(=S)N2CC[NH+](C3CCSCC3)CC2)cc1Cl ZINC000225216788 571022435 /nfs/dbraw/zinc/02/24/35/571022435.db2.gz JBIMQBGONLEQDN-UHFFFAOYSA-N 1 0 373.950 3.689 40 0 FHABRO CC(=O)c1ccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000225230865 571023134 /nfs/dbraw/zinc/02/31/34/571023134.db2.gz QGGCQGJUZYSONV-UHFFFAOYSA-N 1 0 373.547 3.902 40 0 FHABRO Cc1ccnc(NC(=S)NCCNc2cc(C)[nH+]c3ccc(C)cc23)c1 ZINC000225227532 571023224 /nfs/dbraw/zinc/02/32/24/571023224.db2.gz MCILSOZVAZOSCR-UHFFFAOYSA-N 1 0 365.506 3.954 40 0 FHABRO COc1ccc(C[N@H+]2C[C@H]3Cc4ncc(-c5ccccc5)n4C[C@@H]3C2)cc1 ZINC000306134158 571038998 /nfs/dbraw/zinc/03/89/98/571038998.db2.gz NEULACFYEOXMDG-UXHICEINSA-N 1 0 359.473 3.863 40 0 FHABRO c1csc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306139703 571041488 /nfs/dbraw/zinc/04/14/88/571041488.db2.gz TXYVAICYHNAMIS-GOSISDBHSA-N 1 0 357.504 3.848 40 0 FHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225611453 571049490 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FHABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)s1 ZINC000248113445 571127794 /nfs/dbraw/zinc/12/77/94/571127794.db2.gz RPOKHDYDPWYAEF-DFQSSKMNSA-N 1 0 358.507 3.648 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4F)c3)[C@@H]1CCC[NH2+]2 ZINC000257239091 571153302 /nfs/dbraw/zinc/15/33/02/571153302.db2.gz HNXUDDZVOJIYHJ-IRLDBZIGSA-N 1 0 367.468 3.558 40 0 FHABRO CC[N@H+](C)[C@H]1C[C@@H](c2ccccc2)OC2(CCN(C(=O)C(C)C)CC2)C1 ZINC000257256626 571155035 /nfs/dbraw/zinc/15/50/35/571155035.db2.gz KMGLYKBKROCLNF-PMACEKPBSA-N 1 0 358.526 3.876 40 0 FHABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1 ZINC000257271614 571156622 /nfs/dbraw/zinc/15/66/22/571156622.db2.gz MZBDGTAVWBFCMW-ZDUSSCGKSA-N 1 0 352.413 3.682 40 0 FHABRO Cc1cccc(Nc2cnc([C@H]3CCC[N@H+](Cc4cncs4)C3)cn2)n1 ZINC000257284135 571158028 /nfs/dbraw/zinc/15/80/28/571158028.db2.gz PBIXSZPBJPJZIL-HNNXBMFYSA-N 1 0 366.494 3.760 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(Nc4ncccn4)c3)C2)nc1 ZINC000257289903 571158605 /nfs/dbraw/zinc/15/86/05/571158605.db2.gz QASJOJYHCHHOOF-INIZCTEOSA-N 1 0 364.428 3.529 40 0 FHABRO CCC[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1cccc(OC)c1)CN2C(=O)C1CCCC1 ZINC000072330693 571178687 /nfs/dbraw/zinc/17/86/87/571178687.db2.gz GEIPWNRPWVASBU-YPAWHYETSA-N 1 0 370.537 3.912 40 0 FHABRO Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000072353598 571181994 /nfs/dbraw/zinc/18/19/94/571181994.db2.gz DWCMGPDPUKQWQJ-IBGZPJMESA-N 1 0 373.504 3.851 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)cn1 ZINC000072358125 571183287 /nfs/dbraw/zinc/18/32/87/571183287.db2.gz RPLOBJNDBGRDAS-NRFANRHFSA-N 1 0 350.441 3.882 40 0 FHABRO COc1cccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072358159 571183317 /nfs/dbraw/zinc/18/33/17/571183317.db2.gz HRGAFWCJSLTFBR-JOCHJYFZSA-N 1 0 352.478 3.997 40 0 FHABRO COc1cccc(-c2cncc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072359430 571184053 /nfs/dbraw/zinc/18/40/53/571184053.db2.gz XGVLPUKZZCZATC-SFHVURJKSA-N 1 0 360.461 3.927 40 0 FHABRO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)c1 ZINC000072359749 571184063 /nfs/dbraw/zinc/18/40/63/571184063.db2.gz NYDOGADTXGZKQP-KRWDZBQOSA-N 1 0 353.466 3.511 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392693 571190353 /nfs/dbraw/zinc/19/03/53/571190353.db2.gz QAYQFIDIFDZLBR-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395789 571190602 /nfs/dbraw/zinc/19/06/02/571190602.db2.gz CCWNOGYVXNWTQL-OPAMFIHVSA-N 1 0 352.453 3.577 40 0 FHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2cccs2)Cc2ccccc21 ZINC000306123493 571212778 /nfs/dbraw/zinc/21/27/78/571212778.db2.gz AOWKTXYAYJEAJL-IBGZPJMESA-N 1 0 353.491 3.739 40 0 FHABRO c1csc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306123052 571212812 /nfs/dbraw/zinc/21/28/12/571212812.db2.gz ADMHQNACDXMBAO-KRWDZBQOSA-N 1 0 361.474 3.842 40 0 FHABRO Cc1nc2c(n1C(C)C)CN(Cc1ccccc1F)CC21CC[NH+](C)CC1 ZINC000306127066 571213575 /nfs/dbraw/zinc/21/35/75/571213575.db2.gz FNQXIANJUPJBQO-UHFFFAOYSA-N 1 0 370.516 3.891 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306131770 571213830 /nfs/dbraw/zinc/21/38/30/571213830.db2.gz KPIDZIHNMRTPPN-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO CC(C)C[N@@H+]1CCO[C@]2(CCCC[C@H]2NC(=O)/C=C/c2cccs2)C1 ZINC000306132714 571214194 /nfs/dbraw/zinc/21/41/94/571214194.db2.gz LQBGODNFXGGIAW-NREOILKTSA-N 1 0 362.539 3.547 40 0 FHABRO O=C(N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1)C1(F)CC1 ZINC000585100406 571221492 /nfs/dbraw/zinc/22/14/92/571221492.db2.gz QSKKZHPSDMUHDP-IBGZPJMESA-N 1 0 366.427 3.814 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)co1 ZINC000585105491 571223755 /nfs/dbraw/zinc/22/37/55/571223755.db2.gz XVTAPJISRVRBAD-FQEVSTJZSA-N 1 0 356.466 3.653 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)o1 ZINC000585105282 571224455 /nfs/dbraw/zinc/22/44/55/571224455.db2.gz SEOPSSLYXLGYBW-FQEVSTJZSA-N 1 0 370.493 3.961 40 0 FHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000248197427 571291258 /nfs/dbraw/zinc/29/12/58/571291258.db2.gz RENMGUPXFFASRP-UCNVEGJOSA-N 1 0 369.484 3.859 40 0 FHABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009063004 571302373 /nfs/dbraw/zinc/30/23/73/571302373.db2.gz SZOSMXNOLPGPEF-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000009063101 571302511 /nfs/dbraw/zinc/30/25/11/571302511.db2.gz IRKBBQKELXRVRI-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)n[nH]2)cc1 ZINC000019704840 571304396 /nfs/dbraw/zinc/30/43/96/571304396.db2.gz DPEGXQZVHQGKTC-MRXNPFEDSA-N 1 0 352.413 3.512 40 0 FHABRO c1ccc(COc2cccc(CN3CC[C@@H]4[NH2+]CCCCC[C@H]43)c2)nc1 ZINC000019712064 571304716 /nfs/dbraw/zinc/30/47/16/571304716.db2.gz CDLOSLBXNGKYJS-FCHUYYIVSA-N 1 0 351.494 3.767 40 0 FHABRO CC(C)n1c2ccccc2nc1C[NH+]1CCC2(CC1)CC=CCN(C)C2=O ZINC000019744772 571304753 /nfs/dbraw/zinc/30/47/53/571304753.db2.gz OYWPVVJESNFNGJ-UHFFFAOYSA-N 1 0 366.509 3.618 40 0 FHABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257208571 571321731 /nfs/dbraw/zinc/32/17/31/571321731.db2.gz BMSINXRDYJOIEM-UHFFFAOYSA-N 1 0 351.837 3.791 40 0 FHABRO Cc1noc(C)c1-c1cc(C2CC[NH+]([C@@H]3CCCOCC3)CC2)nc(C)n1 ZINC000257329049 210000725 /nfs/dbraw/zinc/00/07/25/210000725.db2.gz XIEJDKQCSUKMGB-GOSISDBHSA-N 1 0 370.497 3.805 40 0 FHABRO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224517144 209786077 /nfs/dbraw/zinc/78/60/77/209786077.db2.gz OZLVOWMVONBTDE-UHFFFAOYSA-N 1 0 366.505 3.848 40 0 FHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@]12CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000108533944 209290308 /nfs/dbraw/zinc/29/03/08/209290308.db2.gz JSRXKNRKPKDAGD-VDZJLULYSA-N 1 0 352.469 3.749 40 0 FHABRO Cc1c(F)cccc1C[NH+]1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108531834 209289163 /nfs/dbraw/zinc/28/91/63/209289163.db2.gz BMRQTRNRPIWTRB-GOSISDBHSA-N 1 0 370.472 3.550 40 0 FHABRO COc1ccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000107728473 209279033 /nfs/dbraw/zinc/27/90/33/209279033.db2.gz XNHUGRVAURQNRN-YLJYHZDGSA-N 1 0 358.507 3.911 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccccc2C(F)(F)F)CC1 ZINC000098213863 209207226 /nfs/dbraw/zinc/20/72/26/209207226.db2.gz NUWAIWKGEXSMDS-UHFFFAOYSA-N 1 0 358.404 3.976 40 0 FHABRO Cc1nc(CN2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220979 209137718 /nfs/dbraw/zinc/13/77/18/209137718.db2.gz RVBKKEJLMGBPLE-HXUWFJFHSA-N 1 0 371.550 3.707 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccs3)CC2)N1Cc1ccncc1 ZINC000096218084 209137242 /nfs/dbraw/zinc/13/72/42/209137242.db2.gz XKRUOMQAKFVGPT-HXUWFJFHSA-N 1 0 355.507 3.690 40 0 FHABRO c1ccc2nc(C[NH+]3CCC4(C[C@H](OCC5CC5)CO4)CC3)ccc2c1 ZINC000096205998 209134009 /nfs/dbraw/zinc/13/40/09/209134009.db2.gz DESUUDVVJMVKCB-FQEVSTJZSA-N 1 0 352.478 3.785 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CN(C(=O)Cc4ccc(Cl)cc4)C3)CC2)o1 ZINC000096203011 209132957 /nfs/dbraw/zinc/13/29/57/209132957.db2.gz RYENHRYGAWATEF-UHFFFAOYSA-N 1 0 372.896 3.909 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)CC(F)(F)F)C3)CC2)cc1 ZINC000096157627 209126752 /nfs/dbraw/zinc/12/67/52/209126752.db2.gz RGGPEUFXKMBCMP-UHFFFAOYSA-N 1 0 354.416 3.762 40 0 FHABRO COc1ccc(CN2CCC3(CC2)c2cc(OC)ccc2CC[N@H+]3C)cc1 ZINC000096100216 209111996 /nfs/dbraw/zinc/11/19/96/209111996.db2.gz QGDFPBNJATXFID-UHFFFAOYSA-N 1 0 366.505 3.683 40 0 FHABRO c1cn(-c2ccc(-c3noc([C@@H]4CCC[N@@H+]4C4CCCCC4)n3)cn2)cn1 ZINC000035425737 207164232 /nfs/dbraw/zinc/16/42/32/207164232.db2.gz ABQVCZYYENUVRP-KRWDZBQOSA-N 1 0 364.453 3.787 40 0 biogenic,in-vitro FHABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccccc4C)C3)oc21 ZINC000035446960 207179467 /nfs/dbraw/zinc/17/94/67/207179467.db2.gz QLYHJIMSFRMHCH-INIZCTEOSA-N 1 0 350.418 3.912 40 0 biogenic,in-vitro FHABRO CC[C@H](CO)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008337049 207229953 /nfs/dbraw/zinc/22/99/53/207229953.db2.gz WSTHPKHOQGLTKK-CQSZACIVSA-N 1 0 367.848 3.927 40 0 FHABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](Cc2ccccc2F)CC1 ZINC000012163200 207345576 /nfs/dbraw/zinc/34/55/76/207345576.db2.gz ULCHRERLBXHWHX-UHFFFAOYSA-N 1 0 373.859 3.856 40 0 FHABRO CC[NH2+]Cc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186507 207345800 /nfs/dbraw/zinc/34/58/00/207345800.db2.gz NPCUNXBYBHSMDQ-UHFFFAOYSA-N 1 0 362.408 3.629 40 0 FHABRO Cc1cc(C)n(C[C@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012187477 207346194 /nfs/dbraw/zinc/34/61/94/207346194.db2.gz AKUGWKBYXCZQNR-AWEZNQCLSA-N 1 0 370.884 3.687 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000012087205 207337402 /nfs/dbraw/zinc/33/74/02/207337402.db2.gz DIBCLEKILFKQMJ-JOCHJYFZSA-N 1 0 368.452 3.601 40 0 FHABRO CSc1ccc(C[N@@H+]2CCC[C@]3(C2)CNC(=O)c2ccccc2O3)cc1 ZINC000012086797 207337447 /nfs/dbraw/zinc/33/74/47/207337447.db2.gz ZKWDGGSAXVAMNG-OAQYLSRUSA-N 1 0 368.502 3.566 40 0 FHABRO COc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)cc1OC ZINC000012122124 207339686 /nfs/dbraw/zinc/33/96/86/207339686.db2.gz CNBSFALCMQGFLN-UHFFFAOYSA-N 1 0 369.461 3.648 40 0 FHABRO CC(C)Oc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1 ZINC000012134986 207341198 /nfs/dbraw/zinc/34/11/98/207341198.db2.gz HBZYLPHEUVFRFD-TYABSZSSSA-N 1 0 366.505 3.989 40 0 FHABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3OC)C[C@H]2c2cc[nH]n2)cc1 ZINC000012128505 207341371 /nfs/dbraw/zinc/34/13/71/207341371.db2.gz RTMGOOZICDAMME-VQTJNVASSA-N 1 0 363.461 3.810 40 0 FHABRO COc1ccc(C[N@@H+]2CCc3sccc3[C@H]2C)cc1CN1CCOCC1 ZINC000012241060 207351830 /nfs/dbraw/zinc/35/18/30/207351830.db2.gz GXNNYJUIGJTLDU-MRXNPFEDSA-N 1 0 372.534 3.708 40 0 FHABRO COc1ccc2nc(C[NH+]3CCC(O)(c4ccccc4F)CC3)ccc2c1 ZINC000012240438 207351866 /nfs/dbraw/zinc/35/18/66/207351866.db2.gz QMKAIISWBMUOPE-UHFFFAOYSA-N 1 0 366.436 3.866 40 0 FHABRO COc1ccccc1/C=C/C[NH+]1CCC(O)(c2ccccc2OC)CC1 ZINC000012293075 207353598 /nfs/dbraw/zinc/35/35/98/207353598.db2.gz KSCAEZIEGYVKQO-VQHVLOKHSA-N 1 0 353.462 3.701 40 0 FHABRO C[NH+](C)[C@H](CNC(=O)c1cc(-c2cccs2)no1)c1ccc(F)cc1 ZINC000012198422 207348094 /nfs/dbraw/zinc/34/80/94/207348094.db2.gz YJUBIOYIVGXTOR-OAHLLOKOSA-N 1 0 359.426 3.575 40 0 FHABRO Cc1cccc(C2(O)CC[NH+](Cc3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000012330687 207363889 /nfs/dbraw/zinc/36/38/89/207363889.db2.gz MNKKIHFIZHFHOL-UHFFFAOYSA-N 1 0 365.452 3.803 40 0 FHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cc1 ZINC000012361601 207364535 /nfs/dbraw/zinc/36/45/35/207364535.db2.gz NQBTVEXWNSQKSA-DETIRCLXSA-N 1 0 367.489 3.824 40 0 FHABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000012360893 207366576 /nfs/dbraw/zinc/36/65/76/207366576.db2.gz VRCKLBIYELYSPO-KRWDZBQOSA-N 1 0 357.473 3.635 40 0 FHABRO Cc1cccc(-c2cc(C[NH2+]CCc3ccc(F)cc3)c3nnnn3c2)c1 ZINC000019235292 207649368 /nfs/dbraw/zinc/64/93/68/207649368.db2.gz HCBIQQVUDSDVCX-UHFFFAOYSA-N 1 0 361.424 3.571 40 0 FHABRO CCOc1ccc(NC(=O)[C@@H]([C@@H](C)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366266 207664991 /nfs/dbraw/zinc/66/49/91/207664991.db2.gz JFEFUMYXQVSUMX-WIYYLYMNSA-N 1 0 373.541 3.753 40 0 FHABRO CC[C@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462563 208028388 /nfs/dbraw/zinc/02/83/88/208028388.db2.gz HUUNDNKTPFWJAC-NRFANRHFSA-N 1 0 352.478 3.756 40 0 FHABRO C[C@@H]1C[C@H](OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000035031466 208116257 /nfs/dbraw/zinc/11/62/57/208116257.db2.gz DBIRBMRBTJPLEL-NXHRZFHOSA-N 1 0 355.563 3.593 40 0 FHABRO C[C@@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000036719526 208172184 /nfs/dbraw/zinc/17/21/84/208172184.db2.gz WTNDVPBYVSXRMO-PXNSSMCTSA-N 1 0 374.488 3.815 40 0 FHABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH3+])C=C3C)nc2c1 ZINC000072321012 208185755 /nfs/dbraw/zinc/18/57/55/208185755.db2.gz LFELCBRJUYDDOA-ULQDDVLXSA-N 1 0 355.482 3.705 40 0 biogenic,in-vitro FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000044899872 208319331 /nfs/dbraw/zinc/31/93/31/208319331.db2.gz YGDPWPHHMVDSEE-NVXWUHKLSA-N 1 0 352.906 3.878 40 0 FHABRO Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)s1 ZINC000096058344 209105109 /nfs/dbraw/zinc/10/51/09/209105109.db2.gz XXBYRFJDOWRXHA-ACRUOGEOSA-N 1 0 354.519 3.659 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)s1 ZINC000096061687 209104186 /nfs/dbraw/zinc/10/41/86/209104186.db2.gz JFOXTNMTIDRJHA-RTWAWAEBSA-N 1 0 356.535 3.574 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(F)c4)C3=O)C2)s1 ZINC000096050623 209102987 /nfs/dbraw/zinc/10/29/87/209102987.db2.gz XMHWAZOJBMGDMK-FQEVSTJZSA-N 1 0 358.482 3.820 40 0 FHABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051156 209103273 /nfs/dbraw/zinc/10/32/73/209103273.db2.gz MDDAPVNHNAKFCS-FQEVSTJZSA-N 1 0 373.447 3.828 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096052564 209101598 /nfs/dbraw/zinc/10/15/98/209101598.db2.gz VCDZIDAUHMHVOO-INIZCTEOSA-N 1 0 354.519 3.905 40 0 FHABRO COc1ccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000096047623 209100639 /nfs/dbraw/zinc/10/06/39/209100639.db2.gz XNHUGRVAURQNRN-FXAWDEMLSA-N 1 0 358.507 3.911 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)o1 ZINC000096040235 209098044 /nfs/dbraw/zinc/09/80/44/209098044.db2.gz CVVMBBBQWHFGPD-LEWJYISDSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1nc(CN2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)cs1 ZINC000096047201 209099351 /nfs/dbraw/zinc/09/93/51/209099351.db2.gz GKYOWUJOEABFLO-UHFFFAOYSA-N 1 0 356.539 3.725 40 0 FHABRO COc1cccc([C@@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000095951537 209089900 /nfs/dbraw/zinc/08/99/00/209089900.db2.gz MGBLMIZYLJHQES-XJUOHMSHSA-N 1 0 364.489 3.722 40 0 FHABRO c1cnc(N2CCC3(C[C@@H]([NH2+]Cc4cccnc4)c4ccccc43)CC2)nc1 ZINC000096241496 132224082 /nfs/dbraw/zinc/22/40/82/132224082.db2.gz XYZHSNAHPRRQKC-OAQYLSRUSA-N 1 0 371.488 3.644 40 0 FHABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000329039119 132372788 /nfs/dbraw/zinc/37/27/88/132372788.db2.gz RVOFXMSUZLMPCS-UHFFFAOYSA-N 1 0 373.298 3.939 40 0 FHABRO COc1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C)n1)C2 ZINC000329036470 132372812 /nfs/dbraw/zinc/37/28/12/132372812.db2.gz RJDZEXTWDMYQKW-UHFFFAOYSA-N 1 0 360.461 3.968 40 0 FHABRO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329045495 132373092 /nfs/dbraw/zinc/37/30/92/132373092.db2.gz TVWKOKVMMKEXGY-GOSISDBHSA-N 1 0 354.498 3.555 40 0 FHABRO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329069405 132373320 /nfs/dbraw/zinc/37/33/20/132373320.db2.gz YWXYFYQJYDJHGT-SFHVURJKSA-N 1 0 354.498 3.512 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)c1 ZINC000039745537 263399410 /nfs/dbraw/zinc/39/94/10/263399410.db2.gz OJIWZJWPFRYMSR-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000039750367 263399666 /nfs/dbraw/zinc/39/96/66/263399666.db2.gz IPZZRRVUNYFUFI-UHFFFAOYSA-N 1 0 352.478 3.532 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000020457058 523168454 /nfs/dbraw/zinc/16/84/54/523168454.db2.gz SRPCWYIPCBTALJ-IAGOWNOFSA-N 1 0 364.555 3.947 40 0 FHABRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CC2CC2)CC[C@@]1(C)O ZINC000514289933 560031522 /nfs/dbraw/zinc/03/15/22/560031522.db2.gz OREHEZIHFYWYAU-CMKODMSKSA-N 1 0 364.555 3.577 40 0 biogenic,in-vitro FHABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216324843 568118070 /nfs/dbraw/zinc/11/80/70/568118070.db2.gz IQZFMELLLJIXEM-BZUAXINKSA-N 1 0 352.906 3.592 40 0 FHABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000223111765 568612101 /nfs/dbraw/zinc/61/21/01/568612101.db2.gz SORTWPFPXXKRPC-JOCHJYFZSA-N 1 0 372.553 3.961 40 0 FHABRO CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223499718 568662344 /nfs/dbraw/zinc/66/23/44/568662344.db2.gz OONXRMFWTXLVOU-GFCCVEGCSA-N 1 0 362.524 3.744 40 0 FHABRO Cc1cc(C)c(C)c(OC[C@@]2(O)COCC[N@@H+](C3CCCCCC3)C2)c1 ZINC000585282661 570493089 /nfs/dbraw/zinc/49/30/89/570493089.db2.gz MIWYLNWJBLNKBW-QFIPXVFZSA-N 1 0 361.526 3.777 40 0 FHABRO COc1ccc(C[NH2+][C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)cc1 ZINC000585284772 570494277 /nfs/dbraw/zinc/49/42/77/570494277.db2.gz HQBFWZCNYMMYRZ-GOTSBHOMSA-N 1 0 366.505 3.715 40 0 FHABRO Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCOc2ccccc2)[C@H]1O ZINC000585289374 570495084 /nfs/dbraw/zinc/49/50/84/570495084.db2.gz QKMMCYXIKNWRQA-KSEOMHKRSA-N 1 0 355.478 3.715 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccccc1Cl ZINC000585290099 570495997 /nfs/dbraw/zinc/49/59/97/570495997.db2.gz RWIZSKPAEAUKIA-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO Brc1cc(Br)c(NC2=[NH+]CCN2)c2ccccc12 ZINC000001668967 570503929 /nfs/dbraw/zinc/50/39/29/570503929.db2.gz SIZJOATXXVGWLW-UHFFFAOYSA-N 1 0 369.060 3.736 40 0 FHABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)n2)cc1 ZINC000072369913 570546821 /nfs/dbraw/zinc/54/68/21/570546821.db2.gz WIGOQMNBEVAORZ-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO COc1cc2c(cc1OC)CN(c1cc(C)[nH+]c(NC3CCCC3)n1)CC2 ZINC000242781508 570609341 /nfs/dbraw/zinc/60/93/41/570609341.db2.gz DXCXGPMHCUKTHJ-UHFFFAOYSA-N 1 0 368.481 3.719 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000260408986 570625101 /nfs/dbraw/zinc/62/51/01/570625101.db2.gz YGDPWPHHMVDSEE-DOTOQJQBSA-N 1 0 352.906 3.878 40 0 FHABRO CO[C@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000257310253 570627621 /nfs/dbraw/zinc/62/76/21/570627621.db2.gz UEJNXLLIIRBETP-OAQYLSRUSA-N 1 0 359.441 3.981 40 0 FHABRO Cc1nn(-c2cccc(C(=O)N(C)CC[NH+]3CCCCC3)c2)c(C)c1Cl ZINC000012206188 570727695 /nfs/dbraw/zinc/72/76/95/570727695.db2.gz GDZQLQZKJLEDCD-UHFFFAOYSA-N 1 0 374.916 3.700 40 0 FHABRO O=C(C1CCCC1)N1CCCc2cc([C@@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291622 570732363 /nfs/dbraw/zinc/73/23/63/570732363.db2.gz BNDPOGVNZJOCEF-NRFANRHFSA-N 1 0 356.510 3.675 40 0 FHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cnn(-c3ccc(C)cc3)c2)on1 ZINC000012366559 570739172 /nfs/dbraw/zinc/73/91/72/570739172.db2.gz BFTXGXFPVJUPQS-GHTZIAJQSA-N 1 0 350.466 3.978 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 ZINC000006629897 570784082 /nfs/dbraw/zinc/78/40/82/570784082.db2.gz DBQYXRZFTLSNNM-UHFFFAOYSA-N 1 0 371.506 3.664 40 0 FHABRO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063493 570797609 /nfs/dbraw/zinc/79/76/09/570797609.db2.gz FAWAUJJXZPRWIZ-UHFFFAOYSA-N 1 0 352.519 3.686 40 0 FHABRO CCC[C@@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC ZINC000017061363 570865334 /nfs/dbraw/zinc/86/53/34/570865334.db2.gz LFZYBLRISRNIIY-OHZRUPMASA-N 1 0 373.493 3.913 40 0 FHABRO C[C@H]1Cc2cc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3cccnc3)ccc2O1 ZINC000019498166 570872825 /nfs/dbraw/zinc/87/28/25/570872825.db2.gz KFAQMCUSCMTESQ-DGLRVSLGSA-N 1 0 364.489 3.525 40 0 FHABRO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](C4CCCCC4)C[C@@H]32)c1 ZINC000019019402 570879254 /nfs/dbraw/zinc/87/92/54/570879254.db2.gz GGJBIJQDHLMQDO-YPAWHYETSA-N 1 0 356.510 3.664 40 0 FHABRO CC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2Cc1ccccn1 ZINC000019017596 570879614 /nfs/dbraw/zinc/87/96/14/570879614.db2.gz LWOHMXRMKOMQKE-DNVJHFABSA-N 1 0 363.505 3.841 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019078012 570879790 /nfs/dbraw/zinc/87/97/90/570879790.db2.gz QCSRFBTZDMDDQU-CQSZACIVSA-N 1 0 367.424 3.876 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000019082085 570879844 /nfs/dbraw/zinc/87/98/44/570879844.db2.gz QTKBKTVCQVGVPY-HXUWFJFHSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1ccc(C)c(N2CC[NH+](C[C@@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1 ZINC000019133732 570881007 /nfs/dbraw/zinc/88/10/07/570881007.db2.gz VZYOEZCTRYVAES-JOCHJYFZSA-N 1 0 367.468 3.779 40 0 FHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1OC ZINC000019287278 570884542 /nfs/dbraw/zinc/88/45/42/570884542.db2.gz NVDHWQJIGBHMKE-UBBRYJJRSA-N 1 0 367.493 3.864 40 0 FHABRO C[C@@H](CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC000019455568 570889757 /nfs/dbraw/zinc/88/97/57/570889757.db2.gz PKNNMMVNPNQCHV-ROUUACIJSA-N 1 0 362.489 3.708 40 0 FHABRO CC[C@@H]([NH2+]Cc1cnc(N2CCC(C)CC2)nc1)c1ccc(OC)cc1 ZINC000019500521 570890646 /nfs/dbraw/zinc/89/06/46/570890646.db2.gz AQGQZMOKTBKICM-HXUWFJFHSA-N 1 0 354.498 3.962 40 0 FHABRO CCn1c(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cnc1SC ZINC000019524182 570891589 /nfs/dbraw/zinc/89/15/89/570891589.db2.gz YUXOGBZWGVUDIA-HNNXBMFYSA-N 1 0 355.511 3.881 40 0 FHABRO CCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](CC2CC2)C1 ZINC000019529120 570892203 /nfs/dbraw/zinc/89/22/03/570892203.db2.gz QGAVMAKZPRFBQG-HSZRJFAPSA-N 1 0 363.505 3.529 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)CC1=Cc2ccccc2OC1 ZINC000019527210 570892231 /nfs/dbraw/zinc/89/22/31/570892231.db2.gz AAFPQTYXLAXXPI-QFIPXVFZSA-N 1 0 363.505 3.844 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2cc3c(cc2OC)CCC3)CC1 ZINC000019569249 570894114 /nfs/dbraw/zinc/89/41/14/570894114.db2.gz GCJBGVMVQYZNPV-UHFFFAOYSA-N 1 0 367.489 3.676 40 0 FHABRO Cc1noc(C)c1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019580111 570894524 /nfs/dbraw/zinc/89/45/24/570894524.db2.gz OTFXHKWCBIDYRH-SFHLNBCPSA-N 1 0 367.493 3.774 40 0 FHABRO Cc1noc(C)c1CCC(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019580616 570894774 /nfs/dbraw/zinc/89/47/74/570894774.db2.gz UXJWDRMBYCJGLE-UHFFFAOYSA-N 1 0 352.438 3.507 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182120 570972510 /nfs/dbraw/zinc/97/25/10/570972510.db2.gz WIRLBZIJIHQFBM-QGZVFWFLSA-N 1 0 370.468 3.895 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccccc3)cc2)CC1 ZINC000224330728 570984820 /nfs/dbraw/zinc/98/48/20/570984820.db2.gz ZRJWKURDLQZNKZ-UHFFFAOYSA-N 1 0 352.478 3.727 40 0 FHABRO C[C@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685141 570997112 /nfs/dbraw/zinc/99/71/12/570997112.db2.gz DTJDYCJGOFUJER-SFHVURJKSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3ccco3)CC2)c1 ZINC000039765616 571023623 /nfs/dbraw/zinc/02/36/23/571023623.db2.gz KJBQRZBJPUALRN-UHFFFAOYSA-N 1 0 372.534 3.850 40 0 FHABRO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039755361 571024917 /nfs/dbraw/zinc/02/49/17/571024917.db2.gz JFEKZCOAQFPOSQ-UHFFFAOYSA-N 1 0 358.507 3.541 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)c1 ZINC000039757840 571026152 /nfs/dbraw/zinc/02/61/52/571026152.db2.gz BHJQOIGUYWDHID-UHFFFAOYSA-N 1 0 352.434 3.574 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)co1 ZINC000306134967 571039058 /nfs/dbraw/zinc/03/90/58/571039058.db2.gz ODAVYHJFNPOGIZ-IBGZPJMESA-N 1 0 359.433 3.764 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](CCc3ccccc3)C[C@@H]2N1Cc1ccccc1 ZINC000306137650 571039985 /nfs/dbraw/zinc/03/99/85/571039985.db2.gz RCKKTKNZQWLFJP-GOTSBHOMSA-N 1 0 371.484 3.612 40 0 FHABRO c1coc(C[NH+]2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)c1 ZINC000306139125 571040875 /nfs/dbraw/zinc/04/08/75/571040875.db2.gz SPZKTHGTQHLJLG-UHFFFAOYSA-N 1 0 359.433 3.764 40 0 FHABRO CC(C)[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000306139890 571041437 /nfs/dbraw/zinc/04/14/37/571041437.db2.gz UDMSCPZDEJHFCF-GGAORHGYSA-N 1 0 363.505 3.625 40 0 FHABRO Cc1nc(CN2CCc3cc(Oc4ccccc4)nnc3CC2)cs1 ZINC000306140515 571041716 /nfs/dbraw/zinc/04/17/16/571041716.db2.gz UVZFRIYCHLRPPA-UHFFFAOYSA-N 1 0 352.463 3.635 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225626071 571050711 /nfs/dbraw/zinc/05/07/11/571050711.db2.gz NYKUOIMXMUDPAB-HDICACEKSA-N 1 0 374.525 3.941 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 ZINC000225634940 571051608 /nfs/dbraw/zinc/05/16/08/571051608.db2.gz DBRNPDSYMXHYAD-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225647773 571052690 /nfs/dbraw/zinc/05/26/90/571052690.db2.gz PIXZPTCNSGFWIF-UHFFFAOYSA-N 1 0 362.514 3.941 40 0 FHABRO CCCSc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000225659824 571053357 /nfs/dbraw/zinc/05/33/57/571053357.db2.gz ZWBVXCPWUWNCNE-UHFFFAOYSA-N 1 0 362.524 3.888 40 0 FHABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225734228 571060490 /nfs/dbraw/zinc/06/04/90/571060490.db2.gz CMJFGQFUARNYRH-HXUWFJFHSA-N 1 0 350.503 3.797 40 0 FHABRO Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329002873 571106836 /nfs/dbraw/zinc/10/68/36/571106836.db2.gz KKJOQSQMSKYMHX-UHFFFAOYSA-N 1 0 373.932 3.575 40 0 FHABRO OCC1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC[NH2+]CC1 ZINC000143328093 571113904 /nfs/dbraw/zinc/11/39/04/571113904.db2.gz JOEMUYYSDFIBLO-UHFFFAOYSA-N 1 0 366.490 3.562 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCCC1 ZINC000260812556 571123461 /nfs/dbraw/zinc/12/34/61/571123461.db2.gz GGOGBNIWUPQZMW-QGZVFWFLSA-N 1 0 360.498 3.838 40 0 FHABRO Fc1cccnc1OCC[C@@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000247495312 571125353 /nfs/dbraw/zinc/12/53/53/571125353.db2.gz CWYMGKCYBVWHNS-MRXNPFEDSA-N 1 0 360.429 3.654 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@H]32)s1 ZINC000248106106 571127847 /nfs/dbraw/zinc/12/78/47/571127847.db2.gz PFSNEYAEYKKSAY-QGPMSJSTSA-N 1 0 364.536 3.709 40 0 FHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000072238837 571128226 /nfs/dbraw/zinc/12/82/26/571128226.db2.gz OOGFLUIOEMMFGW-KKEHIWFPSA-N 1 0 365.558 3.612 40 0 FHABRO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)cs2)nc1 ZINC000257199743 571149044 /nfs/dbraw/zinc/14/90/44/571149044.db2.gz AARCMZVFQIIOCD-MRXNPFEDSA-N 1 0 368.510 3.703 40 0 FHABRO CC(C)C[N@H+](C(c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000575422270 571149861 /nfs/dbraw/zinc/14/98/61/571149861.db2.gz UKPALTDGINZVAY-HXUWFJFHSA-N 1 0 357.519 3.921 40 0 FHABRO C[C@@]12C[C@H]3CN(C(=O)c4cc(-c5ccc(F)cc5)no4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257207528 571149860 /nfs/dbraw/zinc/14/98/60/571149860.db2.gz BIEPFQUWYDVOAX-RMYQPGKMSA-N 1 0 369.440 3.616 40 0 FHABRO Cc1cccc(Nc2cccc(C3CC[NH+](Cc4cnn(C)c4)CC3)n2)n1 ZINC000257221104 571151574 /nfs/dbraw/zinc/15/15/74/571151574.db2.gz DNNAPSJCSRDKEY-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4cn(C)cn4)C3)ccn2)n1 ZINC000257222963 571151890 /nfs/dbraw/zinc/15/18/90/571151890.db2.gz DVHMWZFMCSGWSL-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257232499 571152388 /nfs/dbraw/zinc/15/23/88/571152388.db2.gz GLCFYUSOKQDYGX-KRWDZBQOSA-N 1 0 366.534 3.606 40 0 FHABRO Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCC[N@H+]2C ZINC000257255804 571154724 /nfs/dbraw/zinc/15/47/24/571154724.db2.gz KIXQUXNZMGKABA-JXFKEZNVSA-N 1 0 370.522 3.602 40 0 FHABRO CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)c2cccc(F)c2)n1 ZINC000257258738 571155043 /nfs/dbraw/zinc/15/50/43/571155043.db2.gz KVHNIALNDDKLTJ-IBGZPJMESA-N 1 0 355.457 3.914 40 0 FHABRO Cc1cccnc1C[N@@H+]1CCC[C@H](c2ccnc(Nc3ncccn3)c2)C1 ZINC000257265935 571155919 /nfs/dbraw/zinc/15/59/19/571155919.db2.gz MAXUFVNIZUUSHA-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4ncccn4)c3)C2)cn1 ZINC000257283983 571158088 /nfs/dbraw/zinc/15/80/88/571158088.db2.gz PATSDCSTPMTKOS-LJQANCHMSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257292675 571159034 /nfs/dbraw/zinc/15/90/34/571159034.db2.gz QMMYZORCGRWUCT-QGZVFWFLSA-N 1 0 365.456 3.996 40 0 FHABRO Cc1cccc(Nc2cc(C3CC[NH+](Cc4cncn4C)CC3)ccn2)n1 ZINC000257308464 571160407 /nfs/dbraw/zinc/16/04/07/571160407.db2.gz TWUSXAXOCCMHIQ-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO CC(C)c1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340446 571179127 /nfs/dbraw/zinc/17/91/27/571179127.db2.gz RENMGUPXFFASRP-ZNLUXHQJSA-N 1 0 369.484 3.859 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 ZINC000072348746 571180247 /nfs/dbraw/zinc/18/02/47/571180247.db2.gz HFLDCLUZYQISMQ-GOSISDBHSA-N 1 0 369.484 3.936 40 0 FHABRO COc1ccc(-c2cccc([C@@H]3CCC[N@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072350005 571181487 /nfs/dbraw/zinc/18/14/87/571181487.db2.gz UKCXJZTZUSHCBY-GOSISDBHSA-N 1 0 362.477 3.870 40 0 FHABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350560 571181779 /nfs/dbraw/zinc/18/17/79/571181779.db2.gz XQBQJKHNSNICIS-SFHVURJKSA-N 1 0 362.481 3.560 40 0 FHABRO COc1ccc(Oc2nccnc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000072362844 571184779 /nfs/dbraw/zinc/18/47/79/571184779.db2.gz ADAILIAEIFPQBV-MRXNPFEDSA-N 1 0 369.465 3.636 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375347 571185653 /nfs/dbraw/zinc/18/56/53/571185653.db2.gz PGUSQXUEUACNAT-IBGZPJMESA-N 1 0 362.481 3.908 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccsc3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392761 571190237 /nfs/dbraw/zinc/19/02/37/571190237.db2.gz BJZBLGLYECYNPV-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO CC(C)Oc1ccccc1C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392675 571190259 /nfs/dbraw/zinc/19/02/59/571190259.db2.gz FSTVTVSAODSJQE-UHFFFAOYSA-N 1 0 373.460 3.868 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3cccs3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392741 571190340 /nfs/dbraw/zinc/19/03/40/571190340.db2.gz JQGHSYOQNCURMC-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO CCNC(=O)[C@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C(C)C)C1 ZINC000072395936 571190819 /nfs/dbraw/zinc/19/08/19/571190819.db2.gz QMNJPKAERDBZSS-NRFANRHFSA-N 1 0 355.482 3.511 40 0 FHABRO CC/C=C/C(=O)OC[C@@H](O)[C@H](C)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000026897350 571203006 /nfs/dbraw/zinc/20/30/06/571203006.db2.gz SNWDNTBUZZDBJP-HRUPEFEASA-N 1 0 367.489 3.948 40 0 FHABRO C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 ZINC000257251533 571204516 /nfs/dbraw/zinc/20/45/16/571204516.db2.gz JRDPLIJOZOLNLR-TXTKFYIRSA-N 1 0 365.521 3.850 40 0 FHABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4cccnc4)C3)c3ncccc32)cc1 ZINC000306126726 571213073 /nfs/dbraw/zinc/21/30/73/571213073.db2.gz FDKPUYOXHRKGSY-HSZRJFAPSA-N 1 0 356.473 3.641 40 0 FHABRO c1csc(C[N@@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306124395 571213081 /nfs/dbraw/zinc/21/30/81/571213081.db2.gz BOMFDQSWGCVNIX-MRXNPFEDSA-N 1 0 367.522 3.771 40 0 FHABRO c1csc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306124394 571213107 /nfs/dbraw/zinc/21/31/07/571213107.db2.gz BOMFDQSWGCVNIX-INIZCTEOSA-N 1 0 367.522 3.771 40 0 FHABRO CC(C)C[N@@H+]1CCO[C@]2(CCCC[C@@H]2NC(=O)/C=C/c2cccs2)C1 ZINC000306132713 571214184 /nfs/dbraw/zinc/21/41/84/571214184.db2.gz LQBGODNFXGGIAW-LAYSSIRVSA-N 1 0 362.539 3.547 40 0 FHABRO CC(C)C[N@@H+]1CC[C@@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102039 571222093 /nfs/dbraw/zinc/22/20/93/571222093.db2.gz ONRIYRNFAMBJOW-HSZRJFAPSA-N 1 0 366.505 3.942 40 0 FHABRO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)c1 ZINC000585103153 571223375 /nfs/dbraw/zinc/22/33/75/571223375.db2.gz DOKSTYXWDQIQNN-TZIWHRDSSA-N 1 0 370.537 3.738 40 0 FHABRO Cc1ccc(CN2CC3(C2)CC[C@H](C[N@@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105341 571223671 /nfs/dbraw/zinc/22/36/71/571223671.db2.gz UKDQCYOGZVLIJH-LJQANCHMSA-N 1 0 371.550 3.565 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)o1 ZINC000585105283 571224406 /nfs/dbraw/zinc/22/44/06/571224406.db2.gz SEOPSSLYXLGYBW-HXUWFJFHSA-N 1 0 370.493 3.961 40 0 FHABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H]5O[C@@H]5C[C@@]43C)[C@@H]1C[C@@H]([NH+]1CCCC1)[C@@H]2O ZINC000090398600 571237471 /nfs/dbraw/zinc/23/74/71/571237471.db2.gz OPYVYACKKDTREB-WYBQPQOXSA-N 1 0 359.554 3.842 40 0 FHABRO C[N@@H+]1CC[C@H](CC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)C1 ZINC000001672576 571248604 /nfs/dbraw/zinc/24/86/04/571248604.db2.gz SQHRAWGCFMHPMQ-HXUWFJFHSA-N 1 0 362.517 3.937 40 0 FHABRO Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000248125521 571291148 /nfs/dbraw/zinc/29/11/48/571291148.db2.gz WUTXIZZJCLRCEZ-IERDGZPVSA-N 1 0 368.525 3.611 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000012291609 571303461 /nfs/dbraw/zinc/30/34/61/571303461.db2.gz ZPEYWJQWUCUFET-OXJNMPFZSA-N 1 0 358.526 3.777 40 0 FHABRO CC(C)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019447185 571303944 /nfs/dbraw/zinc/30/39/44/571303944.db2.gz KRKJPDTVPQGZFJ-QFBILLFUSA-N 1 0 357.523 3.982 40 0 FHABRO CNc1cc(CC2CC[NH+](Cc3ccnc4ccccc34)CC2)nc(C)n1 ZINC000019758390 571304904 /nfs/dbraw/zinc/30/49/04/571304904.db2.gz MIFFFWKDIPXXPH-UHFFFAOYSA-N 1 0 361.493 3.830 40 0 FHABRO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000257207625 571321775 /nfs/dbraw/zinc/32/17/75/571321775.db2.gz BINRWFNOTWHGIG-CYBMUJFWSA-N 1 0 350.388 3.695 40 0 FHABRO Cc1nc(Nc2ccccn2)cc([C@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257291061 209989017 /nfs/dbraw/zinc/98/90/17/209989017.db2.gz QFLALJLXQOLARE-SFHVURJKSA-N 1 0 367.497 3.530 40 0 FHABRO CC[NH+](CC)CC[C@@H](C)N[C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188781 209949241 /nfs/dbraw/zinc/94/92/41/209949241.db2.gz LOMZMUNJURXOMN-RTBURBONSA-N 1 0 372.561 3.686 40 0 FHABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225738962 209832332 /nfs/dbraw/zinc/83/23/32/209832332.db2.gz WEKBVPDVEJAPIB-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787071 209792129 /nfs/dbraw/zinc/79/21/29/209792129.db2.gz BBLIVHWBMKBSFV-GOSISDBHSA-N 1 0 366.505 3.929 40 0 FHABRO CCOc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224801904 209791436 /nfs/dbraw/zinc/79/14/36/209791436.db2.gz PWUPFBOKDDMYGQ-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO COc1ccc([C@@]2(O)CN(c3cccc(Cl)c3)C3=[N+]2CCCCC3)cc1 ZINC000027525084 209776813 /nfs/dbraw/zinc/77/68/13/209776813.db2.gz SOWLIQVULXEGAZ-NRFANRHFSA-N 1 0 371.888 3.999 40 0 FHABRO Cc1cccc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257252441 223038630 /nfs/dbraw/zinc/03/86/30/223038630.db2.gz JUTYSRSENCJAKD-HNNXBMFYSA-N 1 0 366.494 3.760 40 0 FHABRO c1ccc(-n2c(SCC[NH+]3CCCCC3)nnc2-c2cccnc2)cc1 ZINC000000892488 209379765 /nfs/dbraw/zinc/37/97/65/209379765.db2.gz NUBKMAIRGSYMHP-UHFFFAOYSA-N 1 0 365.506 3.907 40 0 FHABRO CCn1c(C)[n+](C[C@@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 ZINC000000781049 209375776 /nfs/dbraw/zinc/37/57/76/209375776.db2.gz JUNMZRQPVHCEQK-LJQANCHMSA-N 1 0 353.486 3.820 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4OC)o3)C2)cc1 ZINC000049169984 209334401 /nfs/dbraw/zinc/33/44/01/209334401.db2.gz SVJWSGHWEUYVCC-INIZCTEOSA-N 1 0 365.433 3.743 40 0 biogenic,in-vitro FHABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)cc1C ZINC000108535654 209290267 /nfs/dbraw/zinc/29/02/67/209290267.db2.gz BEHRMKSGQJKHDC-FQEVSTJZSA-N 1 0 366.509 3.719 40 0 FHABRO Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)c1 ZINC000108531916 209289006 /nfs/dbraw/zinc/28/90/06/209289006.db2.gz SHOOHWXJWPSYAL-SFHVURJKSA-N 1 0 370.472 3.550 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712392 209278863 /nfs/dbraw/zinc/27/88/63/209278863.db2.gz ZUZCLTRYPZAVFM-UXHICEINSA-N 1 0 358.507 3.731 40 0 FHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](CCCc3ccccc3)[C@@H]2C1 ZINC000107249350 209275160 /nfs/dbraw/zinc/27/51/60/209275160.db2.gz LARNIUFPZLBEBH-TZIWHRDSSA-N 1 0 368.908 3.658 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096239611 209141982 /nfs/dbraw/zinc/14/19/82/209141982.db2.gz FATVPHHEOZMEKI-IBGZPJMESA-N 1 0 358.436 3.523 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096239677 209142326 /nfs/dbraw/zinc/14/23/26/209142326.db2.gz FZSLZHLVQZUCNA-KRWDZBQOSA-N 1 0 364.465 3.584 40 0 FHABRO O=C(Nc1ccccc1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccnc2)C1 ZINC000096214625 209135711 /nfs/dbraw/zinc/13/57/11/209135711.db2.gz OSFDRNWAWDBANT-NRFANRHFSA-N 1 0 350.466 3.744 40 0 FHABRO COC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)[N@@H+]1C ZINC000096208271 209134991 /nfs/dbraw/zinc/13/49/91/209134991.db2.gz WBYSCFCGFCQILS-INIZCTEOSA-N 1 0 358.507 3.617 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000013613759 220079174 /nfs/dbraw/zinc/07/91/74/220079174.db2.gz FOFNIRKYJOUSMY-ZIAGYGMSSA-N 1 0 353.304 3.547 40 0 FHABRO Cc1occc1C(=O)N1CCC2(CCC[N@H+](Cc3ccccn3)C2)CC1 ZINC000096158496 209128098 /nfs/dbraw/zinc/12/80/98/209128098.db2.gz NCCXYWQQARJHNX-UHFFFAOYSA-N 1 0 353.466 3.501 40 0 FHABRO [NH3+]C[C@H]1CCC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)CO1 ZINC000096157041 209126141 /nfs/dbraw/zinc/12/61/41/209126141.db2.gz UHRYABRLKODCGX-GOSISDBHSA-N 1 0 370.518 3.775 40 0 FHABRO C[C@H]1Cc2cc([C@H](O)C[N@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497835 220263377 /nfs/dbraw/zinc/26/33/77/220263377.db2.gz DJGIJPOUZSNHIL-KSFYIVLOSA-N 1 0 364.489 3.540 40 0 FHABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000004522428 207024725 /nfs/dbraw/zinc/02/47/25/207024725.db2.gz ASNCKFJWFVCYMZ-WHSLLNHNSA-N 1 0 357.498 3.527 40 0 FHABRO Cc1ccc([C@H](CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000005616236 207109406 /nfs/dbraw/zinc/10/94/06/207109406.db2.gz ALGBIQNSNSQKKV-HNJRGHQBSA-N 1 0 354.494 3.955 40 0 FHABRO O=C(C[NH+]1CCCC1)Nc1ccc(NC(=O)Nc2ccc(F)cc2)cc1 ZINC000035315268 207130978 /nfs/dbraw/zinc/13/09/78/207130978.db2.gz GEMJDHMXVLZRHN-UHFFFAOYSA-N 1 0 356.401 3.504 40 0 FHABRO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000035313151 207131429 /nfs/dbraw/zinc/13/14/29/207131429.db2.gz QJGCSAUREVGEFQ-UHFFFAOYSA-N 1 0 355.409 3.692 40 0 FHABRO COCCOc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000035425399 207161465 /nfs/dbraw/zinc/16/14/65/207161465.db2.gz VWXDVNGDMXNWNF-KRWDZBQOSA-N 1 0 372.469 3.626 40 0 biogenic,in-vitro FHABRO Cc1ccccc1OCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447739 207196779 /nfs/dbraw/zinc/19/67/79/207196779.db2.gz HHNKLTLUIROHPL-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000007696795 207201782 /nfs/dbraw/zinc/20/17/82/207201782.db2.gz UCFCSUZHGRDIMP-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO O=C(COc1ccc(F)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000007850585 207210645 /nfs/dbraw/zinc/21/06/45/207210645.db2.gz YSVYPHNAHMRABG-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012188415 207346008 /nfs/dbraw/zinc/34/60/08/207346008.db2.gz KEZUOKGHUINGQQ-HXUWFJFHSA-N 1 0 372.896 3.501 40 0 FHABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(F)cc4)[C@H]3C2)cc1 ZINC000012188390 207346496 /nfs/dbraw/zinc/34/64/96/207346496.db2.gz FBSGIJTUTJWHNX-NQIIRXRSSA-N 1 0 368.452 3.571 40 0 FHABRO CCOc1ccc(C[N@@H+]2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119121 207340186 /nfs/dbraw/zinc/34/01/86/207340186.db2.gz RCIYSFJSMKMOJC-KRWDZBQOSA-N 1 0 352.434 3.830 40 0 FHABRO COc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(C)c1C ZINC000012135012 207341007 /nfs/dbraw/zinc/34/10/07/207341007.db2.gz QKXHCYCASSYFCZ-TYABSZSSSA-N 1 0 366.505 3.827 40 0 FHABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(F)c2F)C3)nc1 ZINC000012135285 207341291 /nfs/dbraw/zinc/34/12/91/207341291.db2.gz BTMVVBSLBKEEMF-QRTHJKPMSA-N 1 0 358.432 3.788 40 0 FHABRO Cc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccc(F)c(F)c2)C3)nc1 ZINC000012135277 207341678 /nfs/dbraw/zinc/34/16/78/207341678.db2.gz JRTPFWMTUQRAGQ-QRTHJKPMSA-N 1 0 358.432 3.788 40 0 FHABRO CC(C)CC(=O)N1C[C@H]2CCC[N@H+](Cc3ccnc4ccccc34)[C@H]2C1 ZINC000012220124 207349133 /nfs/dbraw/zinc/34/91/33/207349133.db2.gz MOEPTMZKFCVASX-NQIIRXRSSA-N 1 0 351.494 3.704 40 0 FHABRO CCOc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1OC ZINC000012221261 207349360 /nfs/dbraw/zinc/34/93/60/207349360.db2.gz OMHSUVAPADYATO-UHFFFAOYSA-N 1 0 366.465 3.745 40 0 FHABRO Cc1cc(-c2cnc(NCC[NH+]3CCCCC3)nc2-c2ccoc2C)on1 ZINC000012251503 207351796 /nfs/dbraw/zinc/35/17/96/207351796.db2.gz YBRLFBRSYWPDBO-UHFFFAOYSA-N 1 0 367.453 3.906 40 0 FHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012329240 207363560 /nfs/dbraw/zinc/36/35/60/207363560.db2.gz DTQALJQSFYPEBS-NHCUHLMSSA-N 1 0 367.489 3.688 40 0 FHABRO c1cncc(-c2noc([C@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)c1 ZINC000019347293 207665021 /nfs/dbraw/zinc/66/50/21/207665021.db2.gz ULWWSJOIHUAKPE-SFHVURJKSA-N 1 0 357.417 3.669 40 0 FHABRO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019748479 207707174 /nfs/dbraw/zinc/70/71/74/207707174.db2.gz XMORHHDMAOSGFV-MRXNPFEDSA-N 1 0 368.525 3.549 40 0 FHABRO Cn1c2ccc(NC(=O)CC3CC[NH+](C4CCCCC4)CC3)cc2oc1=O ZINC000019748855 207709285 /nfs/dbraw/zinc/70/92/85/207709285.db2.gz NFQGYFQUPMRHMT-UHFFFAOYSA-N 1 0 371.481 3.505 40 0 FHABRO Cc1ccc(-c2nc3sc4ccccc4n3c2CN2CC[NH2+]CC2)cc1 ZINC000022465206 207806909 /nfs/dbraw/zinc/80/69/09/207806909.db2.gz AKEBTSZCPNFFQI-UHFFFAOYSA-N 1 0 362.502 3.930 40 0 FHABRO COc1cc(C)ccc1CN1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000022887853 207826348 /nfs/dbraw/zinc/82/63/48/207826348.db2.gz HDBRZPDDTYYNEQ-KCZVDYSFSA-N 1 0 354.469 3.863 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189396 207863583 /nfs/dbraw/zinc/86/35/83/207863583.db2.gz ZFNNCDNBHXWGHR-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO Cc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000026842945 207922737 /nfs/dbraw/zinc/92/27/37/207922737.db2.gz RZJSVFCCHIWMCB-UHFFFAOYSA-N 1 0 372.534 3.686 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000033223360 208075309 /nfs/dbraw/zinc/07/53/09/208075309.db2.gz OURPZYJVLVUYRB-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO C[C@H]1C[C@@H](OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000035031474 208116263 /nfs/dbraw/zinc/11/62/63/208116263.db2.gz DBIRBMRBTJPLEL-CGTJXYLNSA-N 1 0 355.563 3.593 40 0 FHABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 ZINC000036734964 208170558 /nfs/dbraw/zinc/17/05/58/208170558.db2.gz HSZPDAJYRIMOHM-AEFFLSMTSA-N 1 0 352.482 3.639 40 0 FHABRO COc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038848868 208207136 /nfs/dbraw/zinc/20/71/36/208207136.db2.gz KASBDJSNBPCSCW-SFHVURJKSA-N 1 0 372.896 3.877 40 0 FHABRO Cc1ccc(C)c(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000044222104 208313547 /nfs/dbraw/zinc/31/35/47/208313547.db2.gz MYGSREMQSADPHH-UHFFFAOYSA-N 1 0 354.523 3.649 40 0 FHABRO CN(CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000047301915 208375389 /nfs/dbraw/zinc/37/53/89/208375389.db2.gz DINFIFRHMNBPCF-UHFFFAOYSA-N 1 0 365.521 3.541 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4cccnc4)CC[C@@H]32)s1 ZINC000096055299 209105656 /nfs/dbraw/zinc/10/56/56/209105656.db2.gz RPOKHDYDPWYAEF-YZGWKJHDSA-N 1 0 358.507 3.648 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)s1 ZINC000096055329 209103582 /nfs/dbraw/zinc/10/35/82/209103582.db2.gz PFSNEYAEYKKSAY-UWWQBHOKSA-N 1 0 364.536 3.709 40 0 FHABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096047275 209100261 /nfs/dbraw/zinc/10/02/61/209100261.db2.gz ZDSHIOCHOSEFKJ-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO Cn1cc(C[NH+]2CCC(c3nc4ccc(-c5ccccc5)cn4n3)CC2)cn1 ZINC000096038171 209098936 /nfs/dbraw/zinc/09/89/36/209098936.db2.gz ILYGEHSUXHKFMA-UHFFFAOYSA-N 1 0 372.476 3.509 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000096047628 209099278 /nfs/dbraw/zinc/09/92/78/209099278.db2.gz FTYOTOMNKQDXBK-UGKGYDQZSA-N 1 0 368.477 3.549 40 0 FHABRO CC[C@H](C)[NH2+][C@@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096242792 132223953 /nfs/dbraw/zinc/22/39/53/132223953.db2.gz GAIUIXIDXPVBKL-FUHWJXTLSA-N 1 0 352.482 3.728 40 0 FHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(OC)c(OC)cc3C2)cc(C)[nH+]1 ZINC000243548059 132249921 /nfs/dbraw/zinc/24/99/21/132249921.db2.gz OIQSMIMAVWFEIU-CYBMUJFWSA-N 1 0 356.470 3.575 40 0 FHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C[C@@H]2C)n1 ZINC000328996662 132372393 /nfs/dbraw/zinc/37/23/93/132372393.db2.gz JLCNDHWXRMHGGR-INIZCTEOSA-N 1 0 353.514 3.525 40 0 FHABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001664910 263144377 /nfs/dbraw/zinc/14/43/77/263144377.db2.gz QXTBLOXGYKAAAG-UHFFFAOYSA-N 1 0 355.438 3.829 40 0 FHABRO Cc1nc(NC(=[NH2+])Nc2ccccc2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000017075527 263372292 /nfs/dbraw/zinc/37/22/92/263372292.db2.gz RZMWLYAHMOMGLW-UHFFFAOYSA-N 1 0 367.840 3.781 40 0 FHABRO CCC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020121549 520811426 /nfs/dbraw/zinc/81/14/26/520811426.db2.gz HQNQTSAPKVHHSO-FQEVSTJZSA-N 1 0 374.577 3.970 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Sc1ccc(OC)cc1 ZINC000020457059 523021228 /nfs/dbraw/zinc/02/12/28/523021228.db2.gz SRPCWYIPCBTALJ-SJORKVTESA-N 1 0 364.555 3.947 40 0 FHABRO CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000514288695 560034094 /nfs/dbraw/zinc/03/40/94/560034094.db2.gz UPGXAQKZVPHJPA-ZBFHGGJFSA-N 1 0 370.415 3.659 40 0 biogenic,in-vitro FHABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccnc3ccccc23)COC1 ZINC000096112721 560060625 /nfs/dbraw/zinc/06/06/25/560060625.db2.gz PMEJXXSEKWKLMP-INIZCTEOSA-N 1 0 362.408 3.585 40 0 biogenic,in-vitro FHABRO C[NH+](C)[C@H]1CCc2[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc3c2C1 ZINC000013831212 560220704 /nfs/dbraw/zinc/22/07/04/560220704.db2.gz GKWHICIUSVVNGX-INIZCTEOSA-N 1 0 351.425 3.978 40 0 in-vitro FHABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000215995599 568099654 /nfs/dbraw/zinc/09/96/54/568099654.db2.gz DVQKKJLAHZBQCH-HKUYNNGSSA-N 1 0 350.478 3.754 40 0 FHABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Br)c1OCC ZINC000022076033 568204121 /nfs/dbraw/zinc/20/41/21/568204121.db2.gz SGQQPMDVVPLMIW-UHFFFAOYSA-N 1 0 373.335 3.678 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSC2CCCC2)CC1 ZINC000223713059 568709397 /nfs/dbraw/zinc/70/93/97/568709397.db2.gz WSLZYIZJQDTNHG-UHFFFAOYSA-N 1 0 360.567 3.999 40 0 FHABRO OC[C@@]1(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CCC[NH2+]C1 ZINC000585263394 570481779 /nfs/dbraw/zinc/48/17/79/570481779.db2.gz YFTKPTBRWCFDMS-HXUWFJFHSA-N 1 0 366.490 3.562 40 0 FHABRO CC(=O)N1CCCC[C@H]2C[N@H+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC[C@H]21 ZINC000585285419 570494230 /nfs/dbraw/zinc/49/42/30/570494230.db2.gz YLMZMAKVZPFXEM-ITTUMRLJSA-N 1 0 364.574 3.677 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000585289831 570495533 /nfs/dbraw/zinc/49/55/33/570495533.db2.gz OGLUEUJSQLWSRQ-XUVXKRRUSA-N 1 0 361.869 3.669 40 0 FHABRO FC(F)(F)c1nc(-c2cccc(C3CC[NH+](CC4CC4)CC3)n2)no1 ZINC000585289878 570495556 /nfs/dbraw/zinc/49/55/56/570495556.db2.gz LUNXBYNNSBQDAE-UHFFFAOYSA-N 1 0 352.360 3.740 40 0 FHABRO COc1cc2cccnc2c(NC[C@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000001591924 570502436 /nfs/dbraw/zinc/50/24/36/570502436.db2.gz JSXONVWYLGHYDM-SFHVURJKSA-N 1 0 359.514 3.630 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000260408990 570624900 /nfs/dbraw/zinc/62/49/00/570624900.db2.gz YGDPWPHHMVDSEE-RDJZCZTQSA-N 1 0 352.906 3.878 40 0 FHABRO C[NH+](C)CCCNc1c2c(nc3cc(-c4cccc(F)c4)nn31)CCCC2 ZINC000004980755 570676028 /nfs/dbraw/zinc/67/60/28/570676028.db2.gz YGZXGJYNJLMMAH-UHFFFAOYSA-N 1 0 367.472 3.778 40 0 FHABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4ccoc4)CC3)cc(N)n2n1 ZINC000012120854 570720903 /nfs/dbraw/zinc/72/09/03/570720903.db2.gz LYROADQPGGPRGV-UHFFFAOYSA-N 1 0 353.470 3.582 40 0 FHABRO CC[NH+]1CCN(c2ncc(-c3ccsc3)c(-c3nc(C)cs3)n2)CC1 ZINC000012275128 570731947 /nfs/dbraw/zinc/73/19/47/570731947.db2.gz RAICZIUGEUOPAN-UHFFFAOYSA-N 1 0 371.535 3.779 40 0 FHABRO CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)CC1 ZINC000012326752 570737257 /nfs/dbraw/zinc/73/72/57/570737257.db2.gz STTTVKVONMZWIJ-FQEVSTJZSA-N 1 0 358.526 3.777 40 0 FHABRO Cc1ccc(-n2cc(C[NH+]3CCC(O)(c4ccc(C)cc4)CC3)cn2)cc1 ZINC000012344549 570738334 /nfs/dbraw/zinc/73/83/34/570738334.db2.gz LHGXLHWVLLDKFA-UHFFFAOYSA-N 1 0 361.489 3.973 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1Br ZINC000013669585 570783414 /nfs/dbraw/zinc/78/34/14/570783414.db2.gz WTLLDWUZGRRFHM-AWEZNQCLSA-N 1 0 353.304 3.834 40 0 FHABRO COc1ccc(C[N@@H+](Cc2ccc3ncccc3c2)C[C@@H](C)O)cc1OC ZINC000013991761 570800885 /nfs/dbraw/zinc/80/08/85/570800885.db2.gz FVULGZYTNNQZRB-MRXNPFEDSA-N 1 0 366.461 3.635 40 0 FHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000040373370 570842252 /nfs/dbraw/zinc/84/22/52/570842252.db2.gz JNKGYBZKGHMWNG-RXVVDRJESA-N 1 0 357.494 3.917 40 0 FHABRO CC1CC[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373057 570842350 /nfs/dbraw/zinc/84/23/50/570842350.db2.gz SSVNURBAVCWUAX-QFIPXVFZSA-N 1 0 353.506 3.928 40 0 FHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000040373376 570842384 /nfs/dbraw/zinc/84/23/84/570842384.db2.gz JNKGYBZKGHMWNG-NQIIRXRSSA-N 1 0 357.494 3.917 40 0 FHABRO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@H+](CC4CC4)C[C@@H]32)c1 ZINC000019081605 570880006 /nfs/dbraw/zinc/88/00/06/570880006.db2.gz IAEVPPVYYSQBDL-NJDAHSKKSA-N 1 0 370.537 3.768 40 0 FHABRO CC(=O)N1C[C@H](c2cccc(C)c2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019235244 570882891 /nfs/dbraw/zinc/88/28/91/570882891.db2.gz PNZLSDRPTIDXQR-NJDAHSKKSA-N 1 0 354.519 3.893 40 0 FHABRO FC(F)(F)c1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000019333793 570886362 /nfs/dbraw/zinc/88/63/62/570886362.db2.gz ZGQZMKXDHLAHIM-UHFFFAOYSA-N 1 0 361.371 3.751 40 0 FHABRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019364694 570887601 /nfs/dbraw/zinc/88/76/01/570887601.db2.gz XZCBNFPCVYRZNI-IIBYNOLFSA-N 1 0 368.525 3.508 40 0 FHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CC2)CC1)c1cc(F)cc(F)c1 ZINC000019369717 570888050 /nfs/dbraw/zinc/88/80/50/570888050.db2.gz JZDLRJUJKDCBRK-UHFFFAOYSA-N 1 0 370.443 3.891 40 0 FHABRO c1ccc2c(C[N@@H+]3CC[C@@H](c4nc(-c5cccnc5)no4)C3)ccnc2c1 ZINC000019376058 570888494 /nfs/dbraw/zinc/88/84/94/570888494.db2.gz LXQANRQSOKTLIM-QGZVFWFLSA-N 1 0 357.417 3.669 40 0 FHABRO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019456851 570889706 /nfs/dbraw/zinc/88/97/06/570889706.db2.gz CUCHGCHVFURNDD-VQIMIIECSA-N 1 0 355.482 3.945 40 0 FHABRO CC1CC[NH+]([C@H](CNC(=O)CCc2ccncc2)c2ccccc2)CC1 ZINC000019496805 570890303 /nfs/dbraw/zinc/89/03/03/570890303.db2.gz SVMNVCGIJVGCRP-OAQYLSRUSA-N 1 0 351.494 3.604 40 0 FHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1csc(C)c1)Cc1ccccc1O2 ZINC000019571954 570894675 /nfs/dbraw/zinc/89/46/75/570894675.db2.gz KSZLBBADADPNAB-UHFFFAOYSA-N 1 0 370.518 3.992 40 0 FHABRO C[N@@H+](Cc1c2cccnc2[nH]c1C1CCOCC1)C[C@H](O)c1ccccc1 ZINC000019586378 570894984 /nfs/dbraw/zinc/89/49/84/570894984.db2.gz LRLVZVRISXACIY-FQEVSTJZSA-N 1 0 365.477 3.622 40 0 FHABRO COCCc1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019593866 570895727 /nfs/dbraw/zinc/89/57/27/570895727.db2.gz YKSBZZSRYMGFJO-SEIRJHJZSA-N 1 0 351.494 3.728 40 0 FHABRO CCN(C(=O)c1sc(-c2ccccc2F)nc1C)C1CC[NH+](C)CC1 ZINC000019666240 570897751 /nfs/dbraw/zinc/89/77/51/570897751.db2.gz WOGSFQXQLDPESN-UHFFFAOYSA-N 1 0 361.486 3.814 40 0 FHABRO C[NH+](C)[C@@H](CNC(=O)Cc1cccc2cccnc21)c1cccc(Cl)c1 ZINC000019662686 570897768 /nfs/dbraw/zinc/89/77/68/570897768.db2.gz LDQOKVPRFIOICP-IBGZPJMESA-N 1 0 367.880 3.850 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 ZINC000019687296 570898487 /nfs/dbraw/zinc/89/84/87/570898487.db2.gz XIXLQAHMGHFNLG-NRFANRHFSA-N 1 0 365.521 3.720 40 0 FHABRO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715691 570899796 /nfs/dbraw/zinc/89/97/96/570899796.db2.gz MPJDCGZFGLEPII-IBGZPJMESA-N 1 0 357.523 3.934 40 0 FHABRO CN(C)c1ccc(CCNC(=O)CC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000019748587 570902156 /nfs/dbraw/zinc/90/21/56/570902156.db2.gz HKELCWIAMXLTQN-UHFFFAOYSA-N 1 0 371.569 3.846 40 0 FHABRO CC(C)C(=O)N1CCC(CC(=O)Nc2ccccc2C[NH+]2CCCC2)CC1 ZINC000019748182 570902241 /nfs/dbraw/zinc/90/22/41/570902241.db2.gz OGXZFZYKOXFIMD-UHFFFAOYSA-N 1 0 371.525 3.506 40 0 FHABRO C[C@H](CNC(=O)c1cccc(OCc2ccccc2Cl)c1)C[NH+](C)C ZINC000022258304 570942242 /nfs/dbraw/zinc/94/22/42/570942242.db2.gz JPSWDGDWJYAGSW-OAHLLOKOSA-N 1 0 360.885 3.847 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114998 570972138 /nfs/dbraw/zinc/97/21/38/570972138.db2.gz NCQJYGPGIHTHPB-INIZCTEOSA-N 1 0 356.441 3.505 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000024189614 570972571 /nfs/dbraw/zinc/97/25/71/570972571.db2.gz JHRURTKGSYOUJK-INIZCTEOSA-N 1 0 356.441 3.505 40 0 FHABRO Cc1ccccc1OCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000224095790 570977095 /nfs/dbraw/zinc/97/70/95/570977095.db2.gz UEVDRFZRKIEMHW-UHFFFAOYSA-N 1 0 352.478 3.790 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSC3CCCC3)CC2)cc1 ZINC000224176920 570980022 /nfs/dbraw/zinc/98/00/22/570980022.db2.gz BHGKFDUZZCNNEQ-UHFFFAOYSA-N 1 0 360.567 3.999 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 ZINC000224333961 570985204 /nfs/dbraw/zinc/98/52/04/570985204.db2.gz YEIVDJANXKQOOT-LJQANCHMSA-N 1 0 366.505 3.865 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)CC1 ZINC000224331613 570985305 /nfs/dbraw/zinc/98/53/05/570985305.db2.gz BSPQDCURJNOVSU-UHFFFAOYSA-N 1 0 366.505 3.865 40 0 FHABRO CC1CC[NH+](CCCNC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000028067977 570998654 /nfs/dbraw/zinc/99/86/54/570998654.db2.gz PBELOQOAURWKQM-UHFFFAOYSA-N 1 0 373.722 3.954 40 0 FHABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224786916 571000827 /nfs/dbraw/zinc/00/08/27/571000827.db2.gz JWRVPDXGXYEBIZ-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO Cc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c(C)c1 ZINC000225209868 571022062 /nfs/dbraw/zinc/02/20/62/571022062.db2.gz QWZFDUMUOXGBHV-UHFFFAOYSA-N 1 0 365.546 3.785 40 0 FHABRO COc1ccc(C)cc1NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039773255 571024019 /nfs/dbraw/zinc/02/40/19/571024019.db2.gz IVMXXYZDMABNCE-UHFFFAOYSA-N 1 0 356.441 3.993 40 0 FHABRO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221022 571027800 /nfs/dbraw/zinc/02/78/00/571027800.db2.gz JYQFBHCQLHCHJR-IBGZPJMESA-N 1 0 356.897 3.911 40 0 FHABRO O=C(NCCOc1ccc(F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000029299911 571038443 /nfs/dbraw/zinc/03/84/43/571038443.db2.gz AYWRWAZWMRCZQU-UHFFFAOYSA-N 1 0 356.441 3.620 40 0 FHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2cccc(F)c2)Cc2ccccc21 ZINC000306137566 571039925 /nfs/dbraw/zinc/03/99/25/571039925.db2.gz QZZHRJLEPFRTOR-OAQYLSRUSA-N 1 0 365.452 3.816 40 0 FHABRO c1csc(C[NH2+][C@H]2CCc3nc(NCc4ccccc4)ncc3C2)c1 ZINC000306137015 571040134 /nfs/dbraw/zinc/04/01/34/571040134.db2.gz QIZURQBXUFHONH-KRWDZBQOSA-N 1 0 350.491 3.797 40 0 FHABRO c1coc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306141096 571041863 /nfs/dbraw/zinc/04/18/63/571041863.db2.gz VLFKGJMKHYVNHZ-GOSISDBHSA-N 1 0 359.433 3.764 40 0 FHABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635032 571051380 /nfs/dbraw/zinc/05/13/80/571051380.db2.gz HDUUDDQKRIJQIP-DYESRHJHSA-N 1 0 360.498 3.695 40 0 FHABRO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225730035 571060055 /nfs/dbraw/zinc/06/00/55/571060055.db2.gz ITSCJCVZTSILQN-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO CCOc1cccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000225743474 571061303 /nfs/dbraw/zinc/06/13/03/571061303.db2.gz ALXYNEMVMAKWLB-UHFFFAOYSA-N 1 0 369.534 3.820 40 0 FHABRO Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OCC[NH+](C)C)nc2)cc1 ZINC000225943077 571081019 /nfs/dbraw/zinc/08/10/19/571081019.db2.gz ADKCDUGJKRJBLT-UHFFFAOYSA-N 1 0 355.482 3.538 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260812485 571123443 /nfs/dbraw/zinc/12/34/43/571123443.db2.gz CTSZYFRDWITRSD-KRWDZBQOSA-N 1 0 360.498 3.695 40 0 FHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818200 571123885 /nfs/dbraw/zinc/12/38/85/571123885.db2.gz XQWNQTBWYQCCGV-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH+](Cc1ccco1)CC2 ZINC000247495306 571125501 /nfs/dbraw/zinc/12/55/01/571125501.db2.gz CWYMGKCYBVWHNS-INIZCTEOSA-N 1 0 360.429 3.654 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)n1 ZINC000247874876 571126273 /nfs/dbraw/zinc/12/62/73/571126273.db2.gz NJHPSJZNOXPCIG-LJQANCHMSA-N 1 0 367.493 3.625 40 0 FHABRO Cc1ncsc1CN1Cc2cccn2[C@H](CCOCc2cccnc2)C1 ZINC000248013931 571126911 /nfs/dbraw/zinc/12/69/11/571126911.db2.gz GVMIRSHJEQIPOZ-LJQANCHMSA-N 1 0 368.506 3.812 40 0 FHABRO Cc1ncc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCC[N@H+]3C)c(C)n1 ZINC000257211327 571150679 /nfs/dbraw/zinc/15/06/79/571150679.db2.gz BYMKVPXKZCYOON-NJYVYQBISA-N 1 0 364.493 3.534 40 0 FHABRO C[N@@H+]1CCCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)n[nH]3)CCC[C@@]21C ZINC000257217866 571151263 /nfs/dbraw/zinc/15/12/63/571151263.db2.gz DAXWULTZTBKTNQ-FPOVZHCZSA-N 1 0 370.472 3.695 40 0 FHABRO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000257228302 571152103 /nfs/dbraw/zinc/15/21/03/571152103.db2.gz FTIJUPAGJYQFJM-HNNXBMFYSA-N 1 0 352.413 3.512 40 0 FHABRO Cc1ncsc1CN1CCCC[C@H]1c1cc(-c2ncc[nH]2)nc(C)n1 ZINC000257238514 571153068 /nfs/dbraw/zinc/15/30/68/571153068.db2.gz HLJJBBJQRPIITM-INIZCTEOSA-N 1 0 354.483 3.667 40 0 FHABRO c1ncc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4ccccn4)ncn3)C2)s1 ZINC000257259304 571155340 /nfs/dbraw/zinc/15/53/40/571155340.db2.gz KXSODSRWSDKXFP-HNNXBMFYSA-N 1 0 366.494 3.526 40 0 FHABRO CC(C)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330471 571178675 /nfs/dbraw/zinc/17/86/75/571178675.db2.gz ZRRGUCMWVIAMDN-OFNKIYASSA-N 1 0 365.521 3.850 40 0 FHABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 ZINC000072349532 571181121 /nfs/dbraw/zinc/18/11/21/571181121.db2.gz PMOJHVBQRVNGJQ-QGZVFWFLSA-N 1 0 371.912 3.593 40 0 FHABRO COc1ccccc1-c1cccc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072349957 571181378 /nfs/dbraw/zinc/18/13/78/571181378.db2.gz RAPOQJPYAXNCIZ-GOSISDBHSA-N 1 0 362.477 3.870 40 0 FHABRO CCc1nccn1-c1nccnc1C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072350505 571181659 /nfs/dbraw/zinc/18/16/59/571181659.db2.gz FAPMEODZERTBNO-UHFFFAOYSA-N 1 0 365.456 3.743 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350129 571181707 /nfs/dbraw/zinc/18/17/07/571181707.db2.gz AUOIKTKQBVCZQQ-QGZVFWFLSA-N 1 0 371.912 3.593 40 0 FHABRO O=C(C1CCCCC1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355087 571182497 /nfs/dbraw/zinc/18/24/97/571182497.db2.gz QSXQGFZNWAWDOM-LJQANCHMSA-N 1 0 369.553 3.907 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358173 571183133 /nfs/dbraw/zinc/18/31/33/571183133.db2.gz SOZGZTHCARPPQY-IBGZPJMESA-N 1 0 357.885 3.551 40 0 FHABRO Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)C[NH+]3CCCC3)n2)cc1 ZINC000072358042 571183321 /nfs/dbraw/zinc/18/33/21/571183321.db2.gz JKPUHHBSVDVDIR-QFIPXVFZSA-N 1 0 363.505 3.740 40 0 FHABRO COc1cccc(-c2cncc(C3CC[NH+](C4CCOCC4)CC3)n2)c1 ZINC000072359747 571184226 /nfs/dbraw/zinc/18/42/26/571184226.db2.gz PVHWOSMRUCNSGW-UHFFFAOYSA-N 1 0 353.466 3.511 40 0 FHABRO COc1ccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000072369915 571184975 /nfs/dbraw/zinc/18/49/75/571184975.db2.gz LSRUHKGFXWUREN-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO c1ccc(CCC[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377925 571187020 /nfs/dbraw/zinc/18/70/20/571187020.db2.gz NUWVSEHCDVMSJX-LJQANCHMSA-N 1 0 374.492 3.822 40 0 FHABRO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384264 571188958 /nfs/dbraw/zinc/18/89/58/571188958.db2.gz WFWYYZOHFXTYCF-KRWDZBQOSA-N 1 0 355.438 3.593 40 0 FHABRO c1csc(-c2cnc(NCC[NH+]3CCCC3)nc2-c2nccs2)c1 ZINC000072396535 571190890 /nfs/dbraw/zinc/19/08/90/571190890.db2.gz LNJWUVBYTFFXDB-UHFFFAOYSA-N 1 0 357.508 3.836 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CCn4c(-c5cccs5)cnc43)C2)n1 ZINC000306127918 571213631 /nfs/dbraw/zinc/21/36/31/571213631.db2.gz GKPBUFNKVWBFHO-HXUWFJFHSA-N 1 0 350.491 3.862 40 0 FHABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306131707 571213867 /nfs/dbraw/zinc/21/38/67/571213867.db2.gz KNKQQKWESRIDRI-FQEVSTJZSA-N 1 0 369.465 3.926 40 0 FHABRO CC(C)C[N@@H+]1CCO[C@@]2(CCCC[C@@H]2NC(=O)/C=C/c2cccs2)C1 ZINC000306132715 571214117 /nfs/dbraw/zinc/21/41/17/571214117.db2.gz LQBGODNFXGGIAW-VSQWLSRBSA-N 1 0 362.539 3.547 40 0 FHABRO CCOc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257330922 571216477 /nfs/dbraw/zinc/21/64/77/571216477.db2.gz XQPLZJZQYOWTNX-FIKGOQFSSA-N 1 0 367.493 3.717 40 0 FHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099275 571221972 /nfs/dbraw/zinc/22/19/72/571221972.db2.gz AJJCCLSMDNYTAL-FQEVSTJZSA-N 1 0 361.555 3.765 40 0 FHABRO Cn1cncc1-c1cncc(C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000585182579 571238425 /nfs/dbraw/zinc/23/84/25/571238425.db2.gz ZBTIXQJNZWSAHB-UHFFFAOYSA-N 1 0 372.476 3.738 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000083264811 571277988 /nfs/dbraw/zinc/27/79/88/571277988.db2.gz SQEYYOTXYIGUHR-HNNXBMFYSA-N 1 0 369.303 3.938 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000083264775 571278084 /nfs/dbraw/zinc/27/80/84/571278084.db2.gz CQAFCJUKRLQFIK-OAHLLOKOSA-N 1 0 369.303 3.938 40 0 FHABRO CC[NH+](CC)CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000007612696 571284108 /nfs/dbraw/zinc/28/41/08/571284108.db2.gz OCGDEGMUPQOUNB-LBPRGKRZSA-N 1 0 367.342 3.782 40 0 FHABRO COc1ccccc1CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000248125659 571291212 /nfs/dbraw/zinc/29/12/12/571291212.db2.gz LLMXNIHECUUSQX-KXTWHKPSSA-N 1 0 356.510 3.554 40 0 FHABRO C[C@@]12CC[N@H+](CC3=CCCOC3)[C@@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713386 571304820 /nfs/dbraw/zinc/30/48/20/571304820.db2.gz UDZPYLOAAANBOC-FYYLOGMGSA-N 1 0 368.521 3.769 40 0 FHABRO Cn1ccnc1C(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000019713537 571304917 /nfs/dbraw/zinc/30/49/17/571304917.db2.gz FMJMJEXLSDXZKJ-IPJJNNNSSA-N 1 0 366.509 3.640 40 0 FHABRO [NH3+]C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000242437477 571322545 /nfs/dbraw/zinc/32/25/45/571322545.db2.gz CCBRIIRNEXJGBX-OAGGEKHMSA-N 1 0 356.274 3.508 40 0 FHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1F ZINC000224703279 209789682 /nfs/dbraw/zinc/78/96/82/209789682.db2.gz GDEBFBIYWMISPK-UHFFFAOYSA-N 1 0 356.441 3.750 40 0 FHABRO S=C(Nc1cccnc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208213739 209623736 /nfs/dbraw/zinc/62/37/36/209623736.db2.gz YNNDBOMTKAJCIE-ONCXSQPRSA-N 1 0 368.550 3.673 40 0 FHABRO C[NH+](C)CCNc1nc(Nc2cccc(F)c2)cc(-c2ccccc2)n1 ZINC000244064052 209365455 /nfs/dbraw/zinc/36/54/55/209365455.db2.gz UAJNZUTXEYPSOY-UHFFFAOYSA-N 1 0 351.429 4.000 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4ccc(OC)cc4)CO3)C2)cc1 ZINC000107728500 209279122 /nfs/dbraw/zinc/27/91/22/209279122.db2.gz FTYOTOMNKQDXBK-DENIHFKCSA-N 1 0 368.477 3.549 40 0 FHABRO Cc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100749985 209218109 /nfs/dbraw/zinc/21/81/09/209218109.db2.gz GIUFFZPTHDNBES-XQBPLPMBSA-N 1 0 351.494 3.555 40 0 FHABRO COc1ccc(NC(=O)[C@H]2CC3(CC[NH+](C)CC3)c3ccccc32)cc1 ZINC000096241652 209143304 /nfs/dbraw/zinc/14/33/04/209143304.db2.gz CORXAYFUBNYPLZ-IBGZPJMESA-N 1 0 350.462 3.785 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@H](OCc4cccnc4)CO3)C2)s1 ZINC000096209067 209136846 /nfs/dbraw/zinc/13/68/46/209136846.db2.gz NGDDBTSICRPLHN-ICSRJNTNSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)o1 ZINC000096215922 209136075 /nfs/dbraw/zinc/13/60/75/209136075.db2.gz OXTYRIPOIZUXSS-OAQYLSRUSA-N 1 0 356.466 3.926 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096161223 209127158 /nfs/dbraw/zinc/12/71/58/209127158.db2.gz JVNLUOXIEWPNOD-KRWDZBQOSA-N 1 0 352.478 3.779 40 0 FHABRO O=C(Cc1cccnc1)N1CCC2(CC[N@H+](CC3CCCCC3)C2)CC1 ZINC000096157672 209125397 /nfs/dbraw/zinc/12/53/97/209125397.db2.gz WMVRASGRSCNIPR-UHFFFAOYSA-N 1 0 355.526 3.519 40 0 FHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2)N1CCCC1 ZINC000096159369 209126980 /nfs/dbraw/zinc/12/69/80/209126980.db2.gz ORPHSXQRENNARW-UHFFFAOYSA-N 1 0 355.526 3.867 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)C4CCC4)CC3)CC2)c1 ZINC000096158421 209126632 /nfs/dbraw/zinc/12/66/32/209126632.db2.gz GYVRKEIONVCLKQ-UHFFFAOYSA-N 1 0 356.510 3.700 40 0 FHABRO Cc1nc(COC[C@@]23CCC[C@@H]2C[N@H+](Cc2cccc(C)n2)C3)cs1 ZINC000096109272 209114688 /nfs/dbraw/zinc/11/46/88/209114688.db2.gz ZEADYKZUMWXDTO-XLIONFOSSA-N 1 0 357.523 3.974 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)s1 ZINC000096107297 209113676 /nfs/dbraw/zinc/11/36/76/209113676.db2.gz UFPNMIIHRQTJHZ-QUCCMNQESA-N 1 0 358.507 3.792 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106695 209113462 /nfs/dbraw/zinc/11/34/62/209113462.db2.gz RTVDHDBIACQCAB-OAQYLSRUSA-N 1 0 359.510 3.562 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccccn4)CO3)CC2)cc1 ZINC000096106884 209112716 /nfs/dbraw/zinc/11/27/16/209112716.db2.gz UUSNNYWNAWKXNS-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(C)s3)C[C@@H]12 ZINC000096100383 209111586 /nfs/dbraw/zinc/11/15/86/209111586.db2.gz ITLKYKOGCOJECH-NHCUHLMSSA-N 1 0 354.519 3.821 40 0 FHABRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC000096073282 209105993 /nfs/dbraw/zinc/10/59/93/209105993.db2.gz AZNWOVLNDBLNSK-IBGZPJMESA-N 1 0 358.526 3.705 40 0 FHABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@H+](CC(C)C)C(C)C)c1 ZINC000005834723 207119261 /nfs/dbraw/zinc/11/92/61/207119261.db2.gz PMFHVABLBBJDLO-OAQYLSRUSA-N 1 0 359.514 3.773 40 0 FHABRO COc1ccc(C[NH2+]CC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000035311550 207130837 /nfs/dbraw/zinc/13/08/37/207130837.db2.gz YCZNHJSWGNMFBV-UHFFFAOYSA-N 1 0 360.457 3.691 40 0 FHABRO Cc1cc(C)cc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000008011851 207216039 /nfs/dbraw/zinc/21/60/39/207216039.db2.gz KHLFMLBMWLVTQI-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1OC ZINC000007849955 207210533 /nfs/dbraw/zinc/21/05/33/207210533.db2.gz DIJZVDXRVQXUEI-UHFFFAOYSA-N 1 0 368.477 3.620 40 0 FHABRO O=C(NCCSCc1ccco1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691368 207304067 /nfs/dbraw/zinc/30/40/67/207304067.db2.gz XLMOVSLMKKSTRO-UHFFFAOYSA-N 1 0 358.507 3.929 40 0 FHABRO COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CCN(Cc2ccccc2)CC1 ZINC000012142659 207342812 /nfs/dbraw/zinc/34/28/12/207342812.db2.gz BCUVXNBDAPTXPR-UHFFFAOYSA-N 1 0 361.489 3.814 40 0 FHABRO Cn1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)c2cc(F)ccc21 ZINC000012240496 207350984 /nfs/dbraw/zinc/35/09/84/207350984.db2.gz LROYTZBGBJYNSD-UHFFFAOYSA-N 1 0 356.416 3.940 40 0 FHABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4cccc(Cl)c4)CC3)no2)cn1 ZINC000012337367 207363406 /nfs/dbraw/zinc/36/34/06/207363406.db2.gz RTJDKQAHKUCELX-UHFFFAOYSA-N 1 0 369.856 3.868 40 0 FHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1OC ZINC000012329291 207363539 /nfs/dbraw/zinc/36/35/39/207363539.db2.gz WWULQMSBMWWTIV-KSCDAYEDSA-N 1 0 357.494 3.912 40 0 FHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012362898 207364869 /nfs/dbraw/zinc/36/48/69/207364869.db2.gz LTPYSCWDHASMKS-SFHVURJKSA-N 1 0 371.550 3.960 40 0 FHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2OC)C3)cc1 ZINC000012361587 207365366 /nfs/dbraw/zinc/36/53/66/207365366.db2.gz LXZHQNNIAJELBU-DETIRCLXSA-N 1 0 367.489 3.824 40 0 FHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2ccccc2F)C3)cc1 ZINC000012361579 207366803 /nfs/dbraw/zinc/36/68/03/207366803.db2.gz ULLFTEMKNGHRGW-QIDMFYOTSA-N 1 0 355.453 3.954 40 0 FHABRO C[C@H](CC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)n1cnc2ccccc21 ZINC000019455279 207671230 /nfs/dbraw/zinc/67/12/30/207671230.db2.gz PNNRPLQSUTUBNO-RTBURBONSA-N 1 0 368.525 3.854 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cc2c(cc1OC)OCCCO2 ZINC000019719951 207705862 /nfs/dbraw/zinc/70/58/62/207705862.db2.gz KLPIIHBKUZIIQI-MRXNPFEDSA-N 1 0 371.481 3.767 40 0 FHABRO N[C@@H](c1ccc(Br)cc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000034256742 208101789 /nfs/dbraw/zinc/10/17/89/208101789.db2.gz XURRKKYAGFWNPT-KBPBESRZSA-N 1 0 370.088 3.911 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 ZINC000038849360 208207720 /nfs/dbraw/zinc/20/77/20/208207720.db2.gz IYYDQSOWIFIAMO-OAHLLOKOSA-N 1 0 352.434 3.900 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000083552598 208311797 /nfs/dbraw/zinc/31/17/97/208311797.db2.gz DGRVYHJMFCAMPT-CYBMUJFWSA-N 1 0 355.276 3.548 40 0 FHABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)cc1C ZINC000044222065 208312862 /nfs/dbraw/zinc/31/28/62/208312862.db2.gz BJPNUBCRPWHEED-UHFFFAOYSA-N 1 0 354.523 3.649 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044933109 208321145 /nfs/dbraw/zinc/32/11/45/208321145.db2.gz WDVLMUIGDYQGME-YLJYHZDGSA-N 1 0 352.478 3.785 40 0 FHABRO O=C(NCCCc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906507 208321925 /nfs/dbraw/zinc/32/19/25/208321925.db2.gz PQBZOLJDLAXSHU-LJQANCHMSA-N 1 0 372.459 3.926 40 0 FHABRO CN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096061438 209104141 /nfs/dbraw/zinc/10/41/41/209104141.db2.gz QMLFRBVPKGGRHG-HXUWFJFHSA-N 1 0 352.453 3.806 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(CCN(Cc4cccc(F)c4)C3=O)C2)s1 ZINC000096050624 209103257 /nfs/dbraw/zinc/10/32/57/209103257.db2.gz XMHWAZOJBMGDMK-HXUWFJFHSA-N 1 0 358.482 3.820 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096053142 209101901 /nfs/dbraw/zinc/10/19/01/209101901.db2.gz CSJKULSSWBWSBR-KRWDZBQOSA-N 1 0 368.477 3.659 40 0 FHABRO c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccccn3)C2)cs1 ZINC000096040228 209097396 /nfs/dbraw/zinc/09/73/96/209097396.db2.gz YPRXXSKNFOKYLV-PMACEKPBSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329013583 132372665 /nfs/dbraw/zinc/37/26/65/132372665.db2.gz MQVOHJGFGLVGHF-UHFFFAOYSA-N 1 0 366.509 3.930 40 0 FHABRO O[C@@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340474 136144548 /nfs/dbraw/zinc/14/45/48/136144548.db2.gz GPJXGGSMVKOMGM-GOSISDBHSA-N 1 0 371.531 3.609 40 0 FHABRO O[C@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340641 136144630 /nfs/dbraw/zinc/14/46/30/136144630.db2.gz FGQWEHGBRRYSPJ-OAQYLSRUSA-N 1 0 365.502 3.547 40 0 FHABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020458353 522896785 /nfs/dbraw/zinc/89/67/85/522896785.db2.gz LHSHFXLTRPUTNP-KRWDZBQOSA-N 1 0 352.906 3.736 40 0 FHABRO Cn1cc(C[NH2+]C[C@H]2Cn3c(-c4ccccc4)cnc3CO2)c2ccccc21 ZINC000096296462 560060298 /nfs/dbraw/zinc/06/02/98/560060298.db2.gz NMWGYGZGDXZKEH-IBGZPJMESA-N 1 0 372.472 3.730 40 0 biogenic,in-vitro FHABRO Clc1ccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccc2)OC3)cc1 ZINC000096112924 560061203 /nfs/dbraw/zinc/06/12/03/560061203.db2.gz MYDNASZYUCTTMH-SFHVURJKSA-N 1 0 353.853 3.892 40 0 biogenic,in-vitro FHABRO C[C@H]1CCC[N@H+](CCCNC(=O)CSCc2ccc(Cl)cc2F)C1 ZINC000223229825 568628475 /nfs/dbraw/zinc/62/84/75/568628475.db2.gz REXGVWDNKZBJJT-AWEZNQCLSA-N 1 0 372.937 3.951 40 0 FHABRO Cc1ccc(OC[C@@]2(O)CCC[N@H+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000585271402 570485496 /nfs/dbraw/zinc/48/54/96/570485496.db2.gz YCRSAZOGAKLBMJ-JOCHJYFZSA-N 1 0 365.477 3.667 40 0 FHABRO Cc1ccccc1N1CCC(O)(C[N@@H+]2CCC[C@H]3OC(C)(C)CC[C@H]32)CC1 ZINC000585282742 570493045 /nfs/dbraw/zinc/49/30/45/570493045.db2.gz AIAQYUXIUPUDFA-NHCUHLMSSA-N 1 0 372.553 3.748 40 0 FHABRO CCN1c2ccccc2C[C@](CC[NH+](CC)CC)(C(N)=O)c2ccccc21 ZINC000001565844 570501759 /nfs/dbraw/zinc/50/17/59/570501759.db2.gz JHDLOPHYLHYSIX-QHCPKHFHSA-N 1 0 365.521 3.856 40 0 FHABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345971 570538172 /nfs/dbraw/zinc/53/81/72/570538172.db2.gz JPHDDEAOKQYZHE-MRXNPFEDSA-N 1 0 363.440 3.640 40 0 FHABRO CSc1ccccc1C(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408612300 570581254 /nfs/dbraw/zinc/58/12/54/570581254.db2.gz VHFKSWSAXNBYQM-SFHVURJKSA-N 1 0 352.503 3.681 40 0 FHABRO CO[C@@]1(COc2ccccc2F)CCC[N@H+](Cc2ccc(O)cc2)CC1 ZINC000257310252 570627128 /nfs/dbraw/zinc/62/71/28/570627128.db2.gz UEJNXLLIIRBETP-NRFANRHFSA-N 1 0 359.441 3.981 40 0 FHABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Br)cc1 ZINC000004886665 570672735 /nfs/dbraw/zinc/67/27/35/570672735.db2.gz QMICLPQCRGCPHT-ZXFUBFMLSA-N 1 0 363.299 3.727 40 0 FHABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000006857342 570786976 /nfs/dbraw/zinc/78/69/76/570786976.db2.gz XYAXZAVCGPGQPX-UHFFFAOYSA-N 1 0 356.894 3.517 40 0 FHABRO Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000015360792 570838011 /nfs/dbraw/zinc/83/80/11/570838011.db2.gz AZMIELWCZJUTJQ-UHFFFAOYSA-N 1 0 372.534 3.768 40 0 FHABRO COc1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)cc2c1OCO2 ZINC000013993345 570840664 /nfs/dbraw/zinc/84/06/64/570840664.db2.gz WYEGNDCKPGASIA-GOSISDBHSA-N 1 0 355.434 3.605 40 0 FHABRO CCN(C(C)=O)[C@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703997 570857437 /nfs/dbraw/zinc/85/74/37/570857437.db2.gz RVAFIYLMJSLNQF-OAQYLSRUSA-N 1 0 371.525 3.791 40 0 FHABRO CCN(C(C)=O)[C@@H]1C[N@H+](Cc2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019703996 570857472 /nfs/dbraw/zinc/85/74/72/570857472.db2.gz RVAFIYLMJSLNQF-NRFANRHFSA-N 1 0 371.525 3.791 40 0 FHABRO C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1 ZINC000019014342 570879569 /nfs/dbraw/zinc/87/95/69/570879569.db2.gz XKBHAUROYYDXAC-XEYRCQSKSA-N 1 0 372.472 3.725 40 0 FHABRO COc1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccc(C)cn1 ZINC000019215726 570881969 /nfs/dbraw/zinc/88/19/69/570881969.db2.gz NPDXQYGWODGFKQ-QIDMFYOTSA-N 1 0 352.478 3.518 40 0 FHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)c1ccc(C)s1)Cc1ccccc1O2 ZINC000019217068 570882471 /nfs/dbraw/zinc/88/24/71/570882471.db2.gz BHKSXOUZCCNJED-UHFFFAOYSA-N 1 0 370.518 3.992 40 0 FHABRO COc1c(C)cccc1CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019235986 570883047 /nfs/dbraw/zinc/88/30/47/570883047.db2.gz PLHKEGCMEHVSMV-FQEVSTJZSA-N 1 0 366.509 3.509 40 0 FHABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)no1 ZINC000019339080 570886129 /nfs/dbraw/zinc/88/61/29/570886129.db2.gz ZOXCYARNKYOZTC-QGZVFWFLSA-N 1 0 368.481 3.512 40 0 FHABRO Nc1cc([C@H]2CCC[N@H+](Cc3ccoc3)C2)nc2cc(-c3ccco3)nn21 ZINC000019342517 570886255 /nfs/dbraw/zinc/88/62/55/570886255.db2.gz IGPXCJSCCTVIAO-HNNXBMFYSA-N 1 0 363.421 3.544 40 0 FHABRO O=C(c1ccccc1)N1C[C@@H]2CCCC[N@@H+](CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019368952 570887978 /nfs/dbraw/zinc/88/79/78/570887978.db2.gz HZJWSSRYGCXADY-RBBKRZOGSA-N 1 0 366.480 3.995 40 0 FHABRO O=C(c1ccnc(N2CCCCC2)c1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019403674 570888603 /nfs/dbraw/zinc/88/86/03/570888603.db2.gz OTPYJYRXAKNLMG-FQEVSTJZSA-N 1 0 370.541 3.553 40 0 FHABRO CC(C)c1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453294 570889230 /nfs/dbraw/zinc/88/92/30/570889230.db2.gz KKKWXRLONGCNRA-LJQANCHMSA-N 1 0 350.510 3.625 40 0 FHABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000019456067 570889654 /nfs/dbraw/zinc/88/96/54/570889654.db2.gz HRMBPBHXLNGPTO-HTAPYJJXSA-N 1 0 351.494 3.775 40 0 FHABRO CC[C@H]([NH2+]Cc1cnc(N2CCC(C)CC2)nc1)c1ccc(OC)cc1 ZINC000019500522 570890756 /nfs/dbraw/zinc/89/07/56/570890756.db2.gz AQGQZMOKTBKICM-FQEVSTJZSA-N 1 0 354.498 3.962 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)CC1=Cc2ccccc2OC1 ZINC000019527209 570892178 /nfs/dbraw/zinc/89/21/78/570892178.db2.gz AAFPQTYXLAXXPI-JOCHJYFZSA-N 1 0 363.505 3.844 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 ZINC000019527213 570892199 /nfs/dbraw/zinc/89/21/99/570892199.db2.gz APBQJIKDUCKRJY-HXUWFJFHSA-N 1 0 369.509 3.585 40 0 FHABRO Cc1noc(C)c1C(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2[NH2+]CCCCC[C@H]21 ZINC000019580157 570894753 /nfs/dbraw/zinc/89/47/53/570894753.db2.gz KZTSFOHXJNWTQM-NSHGMRRFSA-N 1 0 371.456 3.571 40 0 FHABRO C[N@@H+](Cc1c2cccnc2[nH]c1C1CCOCC1)C[C@@H](O)c1ccccc1 ZINC000019586376 570895001 /nfs/dbraw/zinc/89/50/01/570895001.db2.gz LRLVZVRISXACIY-HXUWFJFHSA-N 1 0 365.477 3.622 40 0 FHABRO C[NH+](C)CCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)Cc1ccccn1 ZINC000019582619 570895359 /nfs/dbraw/zinc/89/53/59/570895359.db2.gz BGLNFCSGHBTOOE-UHFFFAOYSA-N 1 0 369.900 3.689 40 0 FHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)C[C@H]1C=CCC1)Cc1ccccc1O2 ZINC000019591996 570895748 /nfs/dbraw/zinc/89/57/48/570895748.db2.gz XFVZBLIGSXGZNV-QXAHSBQVSA-N 1 0 354.494 3.665 40 0 FHABRO C[N@@H+]1CCc2nc([C@@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 ZINC000019590326 570895758 /nfs/dbraw/zinc/89/57/58/570895758.db2.gz BOMQWZNWDMCQGK-IBGZPJMESA-N 1 0 374.891 3.984 40 0 FHABRO COCc1c(C)onc1C(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000019666814 570898529 /nfs/dbraw/zinc/89/85/29/570898529.db2.gz YRFIXVRYZHHWTI-UHFFFAOYSA-N 1 0 357.454 3.758 40 0 FHABRO COc1cccc([C@@H]2CCC[N@@H+]2Cc2sc(N3CCOCC3)nc2C)c1 ZINC000019715762 570899907 /nfs/dbraw/zinc/89/99/07/570899907.db2.gz DGPKSPGLGILZIY-SFHVURJKSA-N 1 0 373.522 3.634 40 0 FHABRO C[C@@H](Cn1cncc1-c1cnn(Cc2ccccc2)c1)[NH+]1CCC(C)CC1 ZINC000019719504 570900759 /nfs/dbraw/zinc/90/07/59/570900759.db2.gz IPTCXXPTDUUFSD-IBGZPJMESA-N 1 0 363.509 3.915 40 0 FHABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2c(C)nn(-c3ccc(F)cc3)c2C)n1 ZINC000019719802 570900921 /nfs/dbraw/zinc/90/09/21/570900921.db2.gz IEBQMQAJIQJSDY-UHFFFAOYSA-N 1 0 369.488 3.964 40 0 FHABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCC2)ncc1C(=O)N1CCCCC1 ZINC000019765731 570902115 /nfs/dbraw/zinc/90/21/15/570902115.db2.gz ZPMICKCDXHATML-LJQANCHMSA-N 1 0 356.514 3.881 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000020107105 570910292 /nfs/dbraw/zinc/91/02/92/570910292.db2.gz YXVUYVIQKGZSLJ-MRXNPFEDSA-N 1 0 363.461 3.517 40 0 FHABRO CCc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000224525775 570991857 /nfs/dbraw/zinc/99/18/57/570991857.db2.gz OXDWOCPGYCDFFQ-UHFFFAOYSA-N 1 0 366.505 3.656 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224626558 570995185 /nfs/dbraw/zinc/99/51/85/570995185.db2.gz NKSSZNRKBABUQB-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccccc1CS(=O)(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224828435 571001871 /nfs/dbraw/zinc/00/18/71/571001871.db2.gz QFDMROJOPITJDW-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039742477 571024622 /nfs/dbraw/zinc/02/46/22/571024622.db2.gz GLXNFHVKLYFJOL-UHFFFAOYSA-N 1 0 372.852 3.919 40 0 FHABRO C[NH+]1CCC(Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2)CC1 ZINC000225441448 571035694 /nfs/dbraw/zinc/03/56/94/571035694.db2.gz GZCSNHKWOYAMSJ-UHFFFAOYSA-N 1 0 358.869 3.994 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cc1 ZINC000306139170 571040888 /nfs/dbraw/zinc/04/08/88/571040888.db2.gz SRGIBSMHBJCYNV-QHCPKHFHSA-N 1 0 374.463 3.780 40 0 FHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccsc2)Cc2ccccc21 ZINC000306142719 571042476 /nfs/dbraw/zinc/04/24/76/571042476.db2.gz XHJAEQKUVRQRFY-IBGZPJMESA-N 1 0 353.491 3.739 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)cc1OC ZINC000225581090 571047012 /nfs/dbraw/zinc/04/70/12/571047012.db2.gz HOZSYFKUMMUUPV-HNNXBMFYSA-N 1 0 365.543 3.645 40 0 FHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225611419 571049585 /nfs/dbraw/zinc/04/95/85/571049585.db2.gz HAGFSFHRMRRAFN-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000225644022 571052110 /nfs/dbraw/zinc/05/21/10/571052110.db2.gz DOECGXLOFRJRNQ-YVHKJVDXSA-N 1 0 374.525 3.797 40 0 FHABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225699427 571057017 /nfs/dbraw/zinc/05/70/17/571057017.db2.gz DSZWFNUMERBJQO-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225735579 571060358 /nfs/dbraw/zinc/06/03/58/571060358.db2.gz LUQZEPJJLKQWLS-CYBMUJFWSA-N 1 0 370.360 3.858 40 0 FHABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)c2cccnc12 ZINC000225738389 571060795 /nfs/dbraw/zinc/06/07/95/571060795.db2.gz MBLWRSNXZLZLAX-OAHLLOKOSA-N 1 0 372.538 3.652 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)C1 ZINC000036741246 571081404 /nfs/dbraw/zinc/08/14/04/571081404.db2.gz ZPEYWJQWUCUFET-UZLBHIALSA-N 1 0 358.526 3.777 40 0 FHABRO Cc1ccc(CN(CCC[NH+](C)C)Cc2c[nH]nc2-c2cccs2)o1 ZINC000057810845 571122924 /nfs/dbraw/zinc/12/29/24/571122924.db2.gz YOFXXLIYQCBRDC-UHFFFAOYSA-N 1 0 358.511 3.994 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260812609 571123324 /nfs/dbraw/zinc/12/33/24/571123324.db2.gz HPNWLUCIFZUJJA-IIBYNOLFSA-N 1 0 360.498 3.693 40 0 FHABRO c1nc(Nc2cccc(C[C@H]3C[NH2+]CCOC3)n2)sc1-c1ccccc1 ZINC000585263395 571125358 /nfs/dbraw/zinc/12/53/58/571125358.db2.gz YGRYEPULEZWLFG-HNNXBMFYSA-N 1 0 366.490 3.727 40 0 FHABRO Cc1cc(Nc2ncc(CC(F)(F)F)s2)nc(C2CC[NH2+]CC2)n1 ZINC000585262940 571125421 /nfs/dbraw/zinc/12/54/21/571125421.db2.gz FNPPOVOLXJXWPG-UHFFFAOYSA-N 1 0 357.405 3.557 40 0 FHABRO CCOc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1OCC ZINC000059018161 571134047 /nfs/dbraw/zinc/13/40/47/571134047.db2.gz PXMODOBJRDSWGB-CALCHBBNSA-N 1 0 362.514 3.582 40 0 FHABRO Cc1noc(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCC[N@H+]2C ZINC000257202374 571149490 /nfs/dbraw/zinc/14/94/90/571149490.db2.gz ALMFJUCMGIBZFJ-PCCBWWKXSA-N 1 0 367.493 3.660 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccno3)[C@H](c3ccccc3)C[C@@]21C ZINC000257208460 571150159 /nfs/dbraw/zinc/15/01/59/571150159.db2.gz BMFWANLWYSOJEZ-CUWPLCDZSA-N 1 0 353.466 3.895 40 0 FHABRO Cc1cccc(Nc2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257216321 571151145 /nfs/dbraw/zinc/15/11/45/571151145.db2.gz CTZQPDNMYIRZRQ-UHFFFAOYSA-N 1 0 366.494 3.760 40 0 FHABRO COCC(=O)N1CCC[C@H](c2cc(Nc3ccc(F)cc3)cc(C)[nH+]2)C1 ZINC000257250300 571154289 /nfs/dbraw/zinc/15/42/89/571154289.db2.gz JLYYWZSKLZDBKK-HNNXBMFYSA-N 1 0 357.429 3.625 40 0 FHABRO Cc1ccsc1C[NH+]1CCC(c2nccnc2-c2cncn2C)CC1 ZINC000257254153 571154825 /nfs/dbraw/zinc/15/48/25/571154825.db2.gz KBWUKBYDXCUZHI-UHFFFAOYSA-N 1 0 353.495 3.627 40 0 FHABRO CN1C(=O)CCCC[C@@H]2[C@@H]1CC[N@@H+]2CCOc1cccc(C(F)(F)F)c1 ZINC000257272273 571156635 /nfs/dbraw/zinc/15/66/35/571156635.db2.gz NBSMYMIFMNMSNQ-DLBZAZTESA-N 1 0 370.415 3.560 40 0 FHABRO Cc1cccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c1C ZINC000026780471 571169112 /nfs/dbraw/zinc/16/91/12/571169112.db2.gz YUEPRKAKQFHNRT-QFIPXVFZSA-N 1 0 353.506 3.998 40 0 FHABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000072337767 571179283 /nfs/dbraw/zinc/17/92/83/571179283.db2.gz BESPTAZEFHQBGC-AEFFLSMTSA-N 1 0 373.497 3.762 40 0 FHABRO COc1ccccc1-c1cccc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)n1 ZINC000072349956 571181490 /nfs/dbraw/zinc/18/14/90/571181490.db2.gz RAPOQJPYAXNCIZ-SFHVURJKSA-N 1 0 362.477 3.870 40 0 FHABRO Cc1nccn1-c1nccnc1C1CC[NH+](CCCc2ccccc2)CC1 ZINC000072350647 571181981 /nfs/dbraw/zinc/18/19/81/571181981.db2.gz KYQFFQGLRSHIFD-UHFFFAOYSA-N 1 0 361.493 3.783 40 0 FHABRO Cc1nc(-c2cncnc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000072356142 571182753 /nfs/dbraw/zinc/18/27/53/571182753.db2.gz TXPWXSDWKRSUOV-SFHVURJKSA-N 1 0 363.465 3.647 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cn1 ZINC000072358127 571183227 /nfs/dbraw/zinc/18/32/27/571183227.db2.gz PGTGUYPLEWASDS-NRFANRHFSA-N 1 0 350.441 3.882 40 0 FHABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n2)cc1 ZINC000072369916 571184945 /nfs/dbraw/zinc/18/49/45/571184945.db2.gz LSRUHKGFXWUREN-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000072369887 571185048 /nfs/dbraw/zinc/18/50/48/571185048.db2.gz HQKBNNHDHRUKNB-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO CCN(CC)C(=O)CN1CCC[C@H]1c1cc(Nc2ccccn2)cc(C)[nH+]1 ZINC000072372473 571185408 /nfs/dbraw/zinc/18/54/08/571185408.db2.gz SPTRUJUBIPRDGK-IBGZPJMESA-N 1 0 367.497 3.534 40 0 FHABRO Cc1cccnc1Nc1nccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072377635 571186423 /nfs/dbraw/zinc/18/64/23/571186423.db2.gz AGMKHWWJXPODCX-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO Fc1ccc(OCC[N@@H+]2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)cc1 ZINC000072378804 571187418 /nfs/dbraw/zinc/18/74/18/571187418.db2.gz RCMFNLKINOSOFM-QGZVFWFLSA-N 1 0 366.440 3.665 40 0 FHABRO O=C(NC1CCCC1)c1cc([C@@H]2CCCC[N@@H+]2CCc2ccccc2)n[nH]1 ZINC000072380537 571188097 /nfs/dbraw/zinc/18/80/97/571188097.db2.gz QZXBZTLECWIKNS-NRFANRHFSA-N 1 0 366.509 3.852 40 0 FHABRO c1ccc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306123768 571213161 /nfs/dbraw/zinc/21/31/61/571213161.db2.gz AWCTZOZQLCDNJN-LJQANCHMSA-N 1 0 370.460 3.566 40 0 FHABRO Fc1ccc(C[N@H+]2C[C@@H]3c4nc(NCc5ccccc5)ncc4C[C@@H]3C2)cc1 ZINC000306133501 571214215 /nfs/dbraw/zinc/21/42/15/571214215.db2.gz MNHVZYJNBPGKFF-CTNGQTDRSA-N 1 0 374.463 4.000 40 0 FHABRO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100248 571221418 /nfs/dbraw/zinc/22/14/18/571221418.db2.gz IVNXTJOCBLVYSQ-HXUWFJFHSA-N 1 0 357.454 3.545 40 0 FHABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@@H+]2C[C@@H]2CCCO2)C1 ZINC000585102216 571222448 /nfs/dbraw/zinc/22/24/48/571222448.db2.gz ULWIPTDSVMSXMI-JTSKRJEESA-N 1 0 374.525 3.745 40 0 FHABRO c1cc2c(cccc2C[NH+]2CC3(C2)C[C@H](Oc2cccnc2)CS3)[nH]1 ZINC000585103356 571223486 /nfs/dbraw/zinc/22/34/86/571223486.db2.gz AVFIBUANWNCEPK-KRWDZBQOSA-N 1 0 351.475 3.702 40 0 FHABRO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)c1 ZINC000585103149 571223542 /nfs/dbraw/zinc/22/35/42/571223542.db2.gz DOKSTYXWDQIQNN-FPOVZHCZSA-N 1 0 370.537 3.738 40 0 FHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](C)C4)C3)CC2)cc1 ZINC000585104804 571224124 /nfs/dbraw/zinc/22/41/24/571224124.db2.gz SXELTGKCEFUTEE-CTNGQTDRSA-N 1 0 370.537 3.738 40 0 FHABRO COc1ccc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)cc1 ZINC000585105064 571224199 /nfs/dbraw/zinc/22/41/99/571224199.db2.gz ONXIKGBEJITSBC-FQEVSTJZSA-N 1 0 370.518 3.675 40 0 FHABRO Cc1cccc(C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)c1 ZINC000585176632 571237898 /nfs/dbraw/zinc/23/78/98/571237898.db2.gz NEFCFWKELFAANB-UHFFFAOYSA-N 1 0 359.477 3.725 40 0 FHABRO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)n2)n1 ZINC000585182447 571238083 /nfs/dbraw/zinc/23/80/83/571238083.db2.gz WARWJRDEWUNOFR-MRXNPFEDSA-N 1 0 372.476 3.803 40 0 FHABRO Fc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000199737659 571278184 /nfs/dbraw/zinc/27/81/84/571278184.db2.gz DOYJVENESXGSQE-UHFFFAOYSA-N 1 0 363.274 3.906 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000247851276 571290865 /nfs/dbraw/zinc/29/08/65/571290865.db2.gz HFZXAAXJIWGISF-AEFFLSMTSA-N 1 0 350.466 3.780 40 0 FHABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000247941998 571290947 /nfs/dbraw/zinc/29/09/47/571290947.db2.gz NQPZJKOBDPBIBW-NUJGCVRESA-N 1 0 368.525 3.767 40 0 FHABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000009063079 571302522 /nfs/dbraw/zinc/30/25/22/571302522.db2.gz KALAJQCVQCZOBZ-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO c1csc(-c2cnc(N3CC[N@@H+]4CCC[C@H]4C3)nc2-c2nccs2)c1 ZINC000012251475 571303431 /nfs/dbraw/zinc/30/34/31/571303431.db2.gz FMAPMGBAPLAYEK-ZDUSSCGKSA-N 1 0 369.519 3.613 40 0 FHABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000012365827 571303484 /nfs/dbraw/zinc/30/34/84/571303484.db2.gz BESPTAZEFHQBGC-FUHWJXTLSA-N 1 0 373.497 3.762 40 0 FHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1cccc(OC2CCCC2)c1 ZINC000019712551 571304602 /nfs/dbraw/zinc/30/46/02/571304602.db2.gz FEDBAIIPQLVWBA-FGZHOGPDSA-N 1 0 356.510 3.983 40 0 FHABRO O=C(N[C@@H]1C(=O)N[N+](=Cc2ccccc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000223599458 571307838 /nfs/dbraw/zinc/30/78/38/571307838.db2.gz WOWHACKVFSQBFN-RFDVDBBISA-O 1 0 370.432 3.543 40 0 FHABRO CC(C)c1[nH]ccc1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000584129231 571319169 /nfs/dbraw/zinc/31/91/69/571319169.db2.gz PRJRTEPSJHCLHQ-UHFFFAOYSA-N 1 0 361.530 3.682 40 0 FHABRO [NH3+]Cc1cccc(-c2cccnc2C(=O)NCCc2cccc(Cl)c2)c1 ZINC000257229915 571321745 /nfs/dbraw/zinc/32/17/45/571321745.db2.gz FZZGXLNDXVSBES-UHFFFAOYSA-N 1 0 365.864 3.833 40 0 FHABRO CCc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1cc(OC)c(OC)c(OC)c1 ZINC000020459088 571329624 /nfs/dbraw/zinc/32/96/24/571329624.db2.gz WIYBJWNXYVNYRM-HXUWFJFHSA-N 1 0 366.461 3.991 40 0 FHABRO c1csc([C@H](c2nnnn2Cc2ccccc2)N2CCCCCC2)c1 ZINC000020098575 944565787 /nfs/dbraw/zinc/56/57/87/944565787.db2.gz BRCSNNGUGSOQSM-GOSISDBHSA-N 1 0 353.495 3.748 40 0 FHABRO Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](Cc3cnccn3)C2)o1 ZINC000257331632 210001249 /nfs/dbraw/zinc/00/12/49/210001249.db2.gz XTQPXPJVEHXUGG-INIZCTEOSA-N 1 0 352.413 3.574 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257344584 210004155 /nfs/dbraw/zinc/00/41/55/210004155.db2.gz ZXXPRZOSKHYIQB-IBGZPJMESA-N 1 0 371.456 3.554 40 0 FHABRO O=C(Cc1ccsc1)N1CCC[C@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257340341 210002963 /nfs/dbraw/zinc/00/29/63/210002963.db2.gz ZFPHILLXUDJSPN-IBGZPJMESA-N 1 0 355.507 3.645 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccc(Cc4ccccc4)nc3)[C@H]1CCCC[NH2+]2 ZINC000257324380 209998055 /nfs/dbraw/zinc/99/80/55/209998055.db2.gz WOLUUOOGPCXQSK-GMAHTHKFSA-N 1 0 363.505 3.809 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225602371 209822088 /nfs/dbraw/zinc/82/20/88/209822088.db2.gz WRXUPVWGGBHFQZ-LZJOCLMNSA-N 1 0 362.514 3.797 40 0 FHABRO O=C(NCCOc1ccccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094085 209776838 /nfs/dbraw/zinc/77/68/38/209776838.db2.gz QPMUGJHKZBKGPF-UHFFFAOYSA-N 1 0 358.869 3.745 40 0 FHABRO C[C@@]12C[C@@H](CC(C)(C)C1)[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000002139603 209393050 /nfs/dbraw/zinc/39/30/50/209393050.db2.gz PEVHSLDAYIFANO-WAIKUNEKSA-N 1 0 365.521 3.953 40 0 FHABRO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(C(C)C)cc1 ZINC000000889902 209380701 /nfs/dbraw/zinc/38/07/01/209380701.db2.gz CBTSSZQMNDUFKB-SFHVURJKSA-N 1 0 353.486 3.592 40 0 FHABRO COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(OC)c3c[n+]1CC2 ZINC000000597214 209372897 /nfs/dbraw/zinc/37/28/97/209372897.db2.gz RFKQJTRWODZPHF-UHFFFAOYSA-N 1 0 366.437 3.693 40 0 biogenic,in-vitro FHABRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)n1 ZINC000096239567 209141595 /nfs/dbraw/zinc/14/15/95/209141595.db2.gz UHLYBTAAYWKNNY-IBGZPJMESA-N 1 0 358.436 3.523 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCC(=O)N3Cc3ccncc3)CC2)s1 ZINC000096228213 209141070 /nfs/dbraw/zinc/14/10/70/209141070.db2.gz TYAIIYDYCXOEAS-UHFFFAOYSA-N 1 0 355.507 3.609 40 0 FHABRO C[NH+](C)C[C@H]1CCC[C@]2(CCN(C(=O)c3ccc4ccccc4c3)C2)O1 ZINC000096209171 209136636 /nfs/dbraw/zinc/13/66/36/209136636.db2.gz TWVBHMFSEBQRCV-IFMALSPDSA-N 1 0 352.478 3.555 40 0 FHABRO Cn1cccc1C(=O)N1CCC2(CC1)CC[NH+](Cc1cccs1)CC2 ZINC000096158372 209126111 /nfs/dbraw/zinc/12/61/11/209126111.db2.gz FBYRTTXOOADQQN-UHFFFAOYSA-N 1 0 357.523 3.605 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096106772 209112906 /nfs/dbraw/zinc/11/29/06/209112906.db2.gz KXAXAPVMMGRVHO-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]C2CCCCC2)c2ccccc2)cc1 ZINC000032223270 206754673 /nfs/dbraw/zinc/75/46/73/206754673.db2.gz PHZFQBDGZCWYLN-NRFANRHFSA-N 1 0 372.534 3.937 40 0 FHABRO O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C[NH+]1CCCC1 ZINC000004194895 207005915 /nfs/dbraw/zinc/00/59/15/207005915.db2.gz LAOSKVNPBIXSAK-FCSDKFEESA-N 1 0 355.522 3.990 40 0 FHABRO C[NH+](C)CCN1C(=O)CC[C@]2(C)C1=CC[C@@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000004705797 207040693 /nfs/dbraw/zinc/04/06/93/207040693.db2.gz TZYDTPVLMWSHME-VFEGKJSPSA-N 1 0 374.569 3.658 40 0 in-vitro FHABRO Cc1cc(C)[n+](-c2ccc3c(c2)S(=O)(=O)c2ccccc2O3)c(C)c1 ZINC000005538113 207105764 /nfs/dbraw/zinc/10/57/64/207105764.db2.gz JOFLDSGYQCNVRF-UHFFFAOYSA-N 1 0 352.435 3.827 40 0 FHABRO COc1ccc(-c2noc([C@@H]3C[C@H]([NH2+]CC4CCCCC4)CN3C)n2)cc1 ZINC000035424514 207154698 /nfs/dbraw/zinc/15/46/98/207154698.db2.gz OVLXJDWJHLGCRV-HKUYNNGSSA-N 1 0 370.497 3.660 40 0 biogenic,in-vitro FHABRO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2C2CCCCC2)n1 ZINC000035424867 207156415 /nfs/dbraw/zinc/15/64/15/207156415.db2.gz BJQWQDNJKIIVPE-KRWDZBQOSA-N 1 0 371.485 3.660 40 0 biogenic,in-vitro FHABRO COc1cc(C[NH2+]C(C)(C)CO)cc(Cl)c1OCc1ccccc1F ZINC000006883117 207174771 /nfs/dbraw/zinc/17/47/71/207174771.db2.gz NKGHEXJMVMNDOJ-UHFFFAOYSA-N 1 0 367.848 3.927 40 0 FHABRO COc1cc(C[NH2+]C(C)(C)CO)ccc1OCc1c(F)cccc1Cl ZINC000006883141 207174889 /nfs/dbraw/zinc/17/48/89/207174889.db2.gz VSOHCBXXBQVTEZ-UHFFFAOYSA-N 1 0 367.848 3.927 40 0 FHABRO O=C(COc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011701 207215718 /nfs/dbraw/zinc/21/57/18/207215718.db2.gz SHMPLZLQVHEWKZ-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008497896 207235469 /nfs/dbraw/zinc/23/54/69/207235469.db2.gz LYKCEZZGBMSNGK-LBPRGKRZSA-N 1 0 353.821 3.537 40 0 FHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000012089307 207336637 /nfs/dbraw/zinc/33/66/37/207336637.db2.gz OTNCQPUYGFHQJG-GOSISDBHSA-N 1 0 359.429 3.980 40 0 FHABRO C[C@H]1C[N@H+](C)CC[C@@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000012144913 207342982 /nfs/dbraw/zinc/34/29/82/207342982.db2.gz ZDJXYZAJHDCBSI-RDJZCZTQSA-N 1 0 366.509 3.671 40 0 FHABRO c1cc(-c2cnc(NCC[NH+]3CCCC3)nc2-c2cccnc2)cs1 ZINC000012337113 207362655 /nfs/dbraw/zinc/36/26/55/207362655.db2.gz YADXRMDLLIOJPQ-UHFFFAOYSA-N 1 0 351.479 3.775 40 0 FHABRO O=C(c1ncoc1-c1cccc(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000012338301 207364149 /nfs/dbraw/zinc/36/41/49/207364149.db2.gz DZIOUIFRQNJPFA-UHFFFAOYSA-N 1 0 357.429 3.571 40 0 FHABRO CCOCc1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)ccc1OC ZINC000012363590 207365311 /nfs/dbraw/zinc/36/53/11/207365311.db2.gz VLDDQZXOTVWSNN-UHFFFAOYSA-N 1 0 373.468 3.854 40 0 FHABRO Cn1cc(C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)c2cc(F)ccc21 ZINC000012363584 207365614 /nfs/dbraw/zinc/36/56/14/207365614.db2.gz ZCYBBUQNBNMVBN-UHFFFAOYSA-N 1 0 356.416 3.940 40 0 FHABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000012481199 207383310 /nfs/dbraw/zinc/38/33/10/207383310.db2.gz IEQRSGUEQUJCKC-IHWFROFDSA-N 1 0 368.452 3.760 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000030551791 208002536 /nfs/dbraw/zinc/00/25/36/208002536.db2.gz HGYNSZDTIIOIHG-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCC[NH+]1CCCCC1 ZINC000030752780 208003424 /nfs/dbraw/zinc/00/34/24/208003424.db2.gz NQGUWQQWSKTMPG-NRFANRHFSA-N 1 0 354.494 3.989 40 0 FHABRO Cc1cc(C)cc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000032462298 208028495 /nfs/dbraw/zinc/02/84/95/208028495.db2.gz SMVVDAURLACYHL-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000033222357 208075938 /nfs/dbraw/zinc/07/59/38/208075938.db2.gz GNNHVBUWGCBMHA-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO COc1ccc(CCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000038848954 208208133 /nfs/dbraw/zinc/20/81/33/208208133.db2.gz RJMWDLURWHBIIH-UHFFFAOYSA-N 1 0 366.505 3.900 40 0 FHABRO O=C(NCCSc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038836536 208208865 /nfs/dbraw/zinc/20/88/65/208208865.db2.gz LXFPJVKIBLWNJE-SFHVURJKSA-N 1 0 372.509 3.946 40 0 FHABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000038834633 208205071 /nfs/dbraw/zinc/20/50/71/208205071.db2.gz BGRJSYPEYNYAKP-KRWDZBQOSA-N 1 0 354.450 3.555 40 0 FHABRO Cc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872822 208318968 /nfs/dbraw/zinc/31/89/68/208318968.db2.gz IAXFSOQZQRXFCJ-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)CC1 ZINC000044916924 208322127 /nfs/dbraw/zinc/32/21/27/208322127.db2.gz XVUCGDYWFZAGCJ-UHFFFAOYSA-N 1 0 365.521 3.785 40 0 FHABRO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000044933107 208322939 /nfs/dbraw/zinc/32/29/39/208322939.db2.gz WDVLMUIGDYQGME-FXAWDEMLSA-N 1 0 352.478 3.785 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H](COCc4cccc(C)n4)C[C@@H]32)s1 ZINC000096055551 209104395 /nfs/dbraw/zinc/10/43/95/209104395.db2.gz XODLUZWKOYXKFN-DZFGPLHGSA-N 1 0 372.534 3.956 40 0 FHABRO Cn1cc(C[NH+]2CCC3(CN(c4cccnc4)c4ccccc43)CC2)cn1 ZINC000096052469 209102945 /nfs/dbraw/zinc/10/29/45/209102945.db2.gz ZEXXWVIZLMMOFT-UHFFFAOYSA-N 1 0 359.477 3.501 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052567 209102336 /nfs/dbraw/zinc/10/23/36/209102336.db2.gz LSTBPQRTGSJDGQ-QGZVFWFLSA-N 1 0 354.519 3.905 40 0 FHABRO O=C(c1cscn1)N1CCC2(CC1)CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096047288 209101232 /nfs/dbraw/zinc/10/12/32/209101232.db2.gz QIITXJKDEKIAAB-UHFFFAOYSA-N 1 0 373.497 3.801 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC000096048745 209100969 /nfs/dbraw/zinc/10/09/69/209100969.db2.gz VPVSLOVRFGSBBG-HXUWFJFHSA-N 1 0 356.491 3.776 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccco4)CC3)CC2)c1 ZINC000096047249 209100293 /nfs/dbraw/zinc/10/02/93/209100293.db2.gz JQMDZTXPHORJEN-UHFFFAOYSA-N 1 0 368.477 3.807 40 0 FHABRO CC(C)c1nccn1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072350570 208837644 /nfs/dbraw/zinc/83/76/44/208837644.db2.gz JJNUQKMQKMDWHM-KRWDZBQOSA-N 1 0 362.481 3.560 40 0 FHABRO c1cc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cs1 ZINC000096038267 209098358 /nfs/dbraw/zinc/09/83/58/209098358.db2.gz DLSKBVAKOXZURL-UHFFFAOYSA-N 1 0 367.522 3.771 40 0 FHABRO Cc1ccc(CSCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000113934989 132247305 /nfs/dbraw/zinc/24/73/05/132247305.db2.gz CFHGBKDQUHSHNH-UHFFFAOYSA-N 1 0 369.534 3.619 40 0 FHABRO CC[C@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C)[nH+]1 ZINC000244226061 132250128 /nfs/dbraw/zinc/25/01/28/132250128.db2.gz WCSANAXGNBGELP-ZDUSSCGKSA-N 1 0 356.470 3.575 40 0 FHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000329008081 132372256 /nfs/dbraw/zinc/37/22/56/132372256.db2.gz LOMKYQPYHFEUEL-UHFFFAOYSA-N 1 0 367.541 3.915 40 0 FHABRO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCN(c4ccc(F)cc4F)CC3)c2c1 ZINC000019220562 136152130 /nfs/dbraw/zinc/15/21/30/136152130.db2.gz ZZITWIHZRZVKDX-OAQYLSRUSA-N 1 0 371.431 3.610 40 0 FHABRO Cc1[nH]c2cc(C)ccc2c1[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019219630 136152306 /nfs/dbraw/zinc/15/23/06/136152306.db2.gz MUQIAGNRNAKROX-NRFANRHFSA-N 1 0 367.468 3.779 40 0 FHABRO Cc1cccc(N2CC[NH+](C[C@H](O)c3c[nH]c4ccc(F)cc43)CC2)c1C ZINC000019235638 136152358 /nfs/dbraw/zinc/15/23/58/136152358.db2.gz BFSZDOZSQYHCMP-QFIPXVFZSA-N 1 0 367.468 3.779 40 0 FHABRO CC[NH2+]Cc1cc(Br)c(OCc2cccnc2)c(OC)c1 ZINC000006870004 263348029 /nfs/dbraw/zinc/34/80/29/263348029.db2.gz XBSZQUSPAPNYFL-UHFFFAOYSA-N 1 0 351.244 3.541 40 0 FHABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000022076849 263385379 /nfs/dbraw/zinc/38/53/79/263385379.db2.gz SWLUUPYQFONYSZ-VFNWGFHPSA-N 1 0 365.429 3.945 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000039748768 263399811 /nfs/dbraw/zinc/39/98/11/263399811.db2.gz DLEMPIKMESAEJR-UHFFFAOYSA-N 1 0 366.461 3.617 40 0 FHABRO CSc1ccccc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408612297 263482059 /nfs/dbraw/zinc/48/20/59/263482059.db2.gz VHFKSWSAXNBYQM-GOSISDBHSA-N 1 0 352.503 3.681 40 0 FHABRO COc1ccc(CCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020488456 523969278 /nfs/dbraw/zinc/96/92/78/523969278.db2.gz YQUQBLWCFQLVEO-SFHVURJKSA-N 1 0 366.505 3.900 40 0 FHABRO COc1ccccc1CN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000020487201 524432374 /nfs/dbraw/zinc/43/23/74/524432374.db2.gz YMXBGPQESZHBSW-UHFFFAOYSA-N 1 0 352.478 3.953 40 0 FHABRO O=C(NCCCn1cccc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020568019 526284285 /nfs/dbraw/zinc/28/42/85/526284285.db2.gz XITVJJJAPSYRJI-UHFFFAOYSA-N 1 0 373.500 3.867 40 0 FHABRO CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113954293 536050388 /nfs/dbraw/zinc/05/03/88/536050388.db2.gz VFOFHBKWKWGFPL-FQEVSTJZSA-N 1 0 367.493 3.543 40 0 FHABRO Clc1ccc(C[NH2+]C[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 ZINC000096296290 560060346 /nfs/dbraw/zinc/06/03/46/560060346.db2.gz CHLDBUKVOGPUJX-SFHVURJKSA-N 1 0 353.853 3.892 40 0 biogenic,in-vitro FHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000216207039 568112353 /nfs/dbraw/zinc/11/23/53/568112353.db2.gz QGLPVVUUDCRGQV-ZACQAIPSSA-N 1 0 364.555 3.660 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CSCc2ccc(F)cc2)C1 ZINC000216327201 568118184 /nfs/dbraw/zinc/11/81/84/568118184.db2.gz ANLIQVCKOXPDIN-HZPDHXFCSA-N 1 0 352.519 3.543 40 0 FHABRO CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222863398 568573597 /nfs/dbraw/zinc/57/35/97/568573597.db2.gz DJPCNLXNFXNPAH-MOPGFXCFSA-N 1 0 363.490 3.650 40 0 FHABRO CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222863452 568573647 /nfs/dbraw/zinc/57/36/47/568573647.db2.gz DJPCNLXNFXNPAH-RBUKOAKNSA-N 1 0 363.490 3.650 40 0 FHABRO CC(=O)N1CCCC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585282245 570492668 /nfs/dbraw/zinc/49/26/68/570492668.db2.gz CDXFGUUVPXFQQD-VMBXEPDQSA-N 1 0 364.574 3.819 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]CCc2ccc(Cl)cc2)[C@H](Cc2ccccc2)C1 ZINC000585283711 570493133 /nfs/dbraw/zinc/49/31/33/570493133.db2.gz BXSDZPONXPPLMH-IRLDBZIGSA-N 1 0 370.924 3.952 40 0 FHABRO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585283559 570493151 /nfs/dbraw/zinc/49/31/51/570493151.db2.gz RXACQCZGONYTSJ-IBGZPJMESA-N 1 0 353.890 3.505 40 0 FHABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](C3CCCCCC3)CC[C@@H]2O)c1 ZINC000585284859 570494143 /nfs/dbraw/zinc/49/41/43/570494143.db2.gz AAYBMVUDJGBRHG-VXKWHMMOSA-N 1 0 361.526 3.511 40 0 FHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000585290154 570496021 /nfs/dbraw/zinc/49/60/21/570496021.db2.gz UNTTUDZXFXJCCI-XUVXKRRUSA-N 1 0 361.869 3.669 40 0 FHABRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)cc1C ZINC000585290651 570496546 /nfs/dbraw/zinc/49/65/46/570496546.db2.gz ZNBODVKTPLDOKQ-BHDDXSALSA-N 1 0 357.469 3.936 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)cc(C)c1C ZINC000001710836 570505184 /nfs/dbraw/zinc/50/51/84/570505184.db2.gz LZTODCAWQQAYNA-HSZRJFAPSA-N 1 0 369.505 3.733 40 0 FHABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216418 570533585 /nfs/dbraw/zinc/53/35/85/570533585.db2.gz XJQLTJSFRVFDRX-GOSISDBHSA-N 1 0 374.529 3.686 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933205 570539228 /nfs/dbraw/zinc/53/92/28/570539228.db2.gz CQWZUCZOPYPKQP-APWZRJJASA-N 1 0 370.468 3.924 40 0 FHABRO CCCN1c2ccccc2C(=O)N(CCC[NH+](C)C)c2ccccc2C1=O ZINC000005430869 570626715 /nfs/dbraw/zinc/62/67/15/570626715.db2.gz OMLMHIGHDVQDRW-UHFFFAOYSA-N 1 0 365.477 3.655 40 0 FHABRO CC(C)(C)OC(=O)N1CCC2(CC[C@H](COCc3ccccc3)[NH2+]2)CC1 ZINC000095829414 570636855 /nfs/dbraw/zinc/63/68/55/570636855.db2.gz IBPUOPZDGOEOMN-GOSISDBHSA-N 1 0 360.498 3.725 40 0 FHABRO COc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004856881 570671462 /nfs/dbraw/zinc/67/14/62/570671462.db2.gz JXOWKSIRPDGBPA-ALOPSCKCSA-N 1 0 371.506 3.770 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1 ZINC000006629903 570783896 /nfs/dbraw/zinc/78/38/96/570783896.db2.gz WGTSUVQVKZFHNZ-UHFFFAOYSA-N 1 0 355.507 3.964 40 0 FHABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063391 570797658 /nfs/dbraw/zinc/79/76/58/570797658.db2.gz YKCNWTVOTGUNQN-UHFFFAOYSA-N 1 0 372.896 3.877 40 0 FHABRO c1csc(-c2ccnc(N3CCC[N@@H+](Cc4ccccc4)CC3)n2)c1 ZINC000013567005 570832717 /nfs/dbraw/zinc/83/27/17/570832717.db2.gz AVPYHWYLLGAUTE-UHFFFAOYSA-N 1 0 350.491 3.917 40 0 FHABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1 ZINC000019017766 570879437 /nfs/dbraw/zinc/87/94/37/570879437.db2.gz SEMNTIYDUJNZHD-YPAWHYETSA-N 1 0 352.453 3.805 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c(C)c1C ZINC000019216000 570881868 /nfs/dbraw/zinc/88/18/68/570881868.db2.gz QFWWPVQLUDUHHB-MZKRTTBSSA-N 1 0 366.505 3.745 40 0 FHABRO Cc1cccc2cnc(C3CC[NH+](Cc4cnc(N(C)C)nc4)CC3)cc12 ZINC000019236697 570883753 /nfs/dbraw/zinc/88/37/53/570883753.db2.gz XXNNVCPVRMUCCE-UHFFFAOYSA-N 1 0 361.493 3.779 40 0 FHABRO Cc1nccc(-c2cccc(-c3noc(C[NH+]4C[C@H](C)C[C@@H](C)C4)n3)c2)n1 ZINC000019287579 570884863 /nfs/dbraw/zinc/88/48/63/570884863.db2.gz NWFZKQYGFRSRAS-HUUCEWRRSA-N 1 0 363.465 3.980 40 0 FHABRO C[C@@H](CC[N@@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 ZINC000019455735 570889505 /nfs/dbraw/zinc/88/95/05/570889505.db2.gz ZTMUFQCCNWOSIC-WMQCIHAUSA-N 1 0 373.504 3.953 40 0 FHABRO C[C@H](CC[N@@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1)c1ccccc1 ZINC000019455737 570889625 /nfs/dbraw/zinc/88/96/25/570889625.db2.gz ZTMUFQCCNWOSIC-UIFIKXQLSA-N 1 0 373.504 3.953 40 0 FHABRO C[C@H](CC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)n1cnc2ccccc21 ZINC000019455283 570889664 /nfs/dbraw/zinc/88/96/64/570889664.db2.gz PNNRPLQSUTUBNO-MOPGFXCFSA-N 1 0 368.525 3.854 40 0 FHABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000019456071 570889691 /nfs/dbraw/zinc/88/96/91/570889691.db2.gz HRMBPBHXLNGPTO-JTSKRJEESA-N 1 0 351.494 3.775 40 0 FHABRO C[C@@H]1C[C@@H]1C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000019462801 570890298 /nfs/dbraw/zinc/89/02/98/570890298.db2.gz IMPPOBNSPPUYNM-ZBFHGGJFSA-N 1 0 354.498 3.907 40 0 FHABRO CCC(=O)N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019499266 570890696 /nfs/dbraw/zinc/89/06/96/570890696.db2.gz QAMNTSOZPXCCRN-CRAIPNDOSA-N 1 0 361.486 3.762 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1c(OC)cccc1OC ZINC000019527211 570891982 /nfs/dbraw/zinc/89/19/82/570891982.db2.gz HYBAWURYOAXLAY-LJQANCHMSA-N 1 0 369.509 3.585 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(OC)c(OC)c1)Cc1ccccn1 ZINC000019527125 570892153 /nfs/dbraw/zinc/89/21/53/570892153.db2.gz IYYOJVLSGIZSOZ-HXUWFJFHSA-N 1 0 369.509 3.585 40 0 FHABRO CCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019529118 570892163 /nfs/dbraw/zinc/89/21/63/570892163.db2.gz AUPQQKIFTYNACX-HSZRJFAPSA-N 1 0 363.505 3.529 40 0 FHABRO C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000019581963 570895197 /nfs/dbraw/zinc/89/51/97/570895197.db2.gz VEEDXJYRQYAEPD-SFHVURJKSA-N 1 0 374.488 3.853 40 0 FHABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCCO1 ZINC000019590803 570895732 /nfs/dbraw/zinc/89/57/32/570895732.db2.gz FQVUGRRMENTATC-BQJUDKOJSA-N 1 0 374.500 3.564 40 0 FHABRO CNc1ncccc1CN1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21 ZINC000019592055 570895793 /nfs/dbraw/zinc/89/57/93/570895793.db2.gz CHPVJAZOBIKPSJ-NJDAHSKKSA-N 1 0 350.510 3.624 40 0 FHABRO O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000019660115 570897358 /nfs/dbraw/zinc/89/73/58/570897358.db2.gz SMHRNQRLPHTDOM-KRWDZBQOSA-N 1 0 354.416 3.771 40 0 FHABRO C[NH+](C)[C@H](CNC(=O)Cc1cccc2cccnc21)c1cccc(Cl)c1 ZINC000019662688 570897764 /nfs/dbraw/zinc/89/77/64/570897764.db2.gz LDQOKVPRFIOICP-LJQANCHMSA-N 1 0 367.880 3.850 40 0 FHABRO Cc1cccc2c(C(=O)N[C@H](C)C[NH+]3CCCC3)cc(-c3cccnc3)nc12 ZINC000019716695 570899894 /nfs/dbraw/zinc/89/98/94/570899894.db2.gz KHMOXHQRLOXPNL-QGZVFWFLSA-N 1 0 374.488 3.819 40 0 FHABRO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@@](O)(c4ccc(C)cc4)C3)cn2)cc1 ZINC000019715867 570900003 /nfs/dbraw/zinc/90/00/03/570900003.db2.gz HJQMBKGHCWUHRH-QHCPKHFHSA-N 1 0 359.473 3.854 40 0 FHABRO CC(C)CNC(=O)c1cc([C@H]2CC[N@H+](CC3CC3)C2)nc2ccccc21 ZINC000019761472 570902204 /nfs/dbraw/zinc/90/22/04/570902204.db2.gz SQPJHCTUMKTRAF-KRWDZBQOSA-N 1 0 351.494 3.820 40 0 FHABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCCN(Cc2cccc(F)c2)CC1 ZINC000022916203 570952666 /nfs/dbraw/zinc/95/26/66/570952666.db2.gz ADKGOSPMCMBYGO-UHFFFAOYSA-N 1 0 358.505 3.928 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189392 570972594 /nfs/dbraw/zinc/97/25/94/570972594.db2.gz KSSVDTLGGBDDGA-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000024186524 570972700 /nfs/dbraw/zinc/97/27/00/570972700.db2.gz BMUQCXMBNYJYGK-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1nccn1Cc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1 ZINC000223971120 570973479 /nfs/dbraw/zinc/97/34/79/570973479.db2.gz JRCRHQBTMBUYLM-UHFFFAOYSA-N 1 0 363.461 3.665 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(F)cc3)CC2)c1 ZINC000224529811 570992388 /nfs/dbraw/zinc/99/23/88/570992388.db2.gz JSVQNPCDQGRMIC-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1C ZINC000224670905 570996978 /nfs/dbraw/zinc/99/69/78/570996978.db2.gz KFKJWXYSNGVGHR-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1ccnc(NC(=S)NCCNc2cc(C)[nH+]c3ccccc23)c1 ZINC000225227477 571023234 /nfs/dbraw/zinc/02/32/34/571023234.db2.gz RZQZYPVLNUSKOF-UHFFFAOYSA-N 1 0 351.479 3.645 40 0 FHABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039763396 571023661 /nfs/dbraw/zinc/02/36/61/571023661.db2.gz YSNBGSJNGGEYNA-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)c2cccnc12 ZINC000225402064 571033314 /nfs/dbraw/zinc/03/33/14/571033314.db2.gz DAEOPRMBKXYEFE-UHFFFAOYSA-N 1 0 372.538 3.796 40 0 FHABRO c1csc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143851 571042887 /nfs/dbraw/zinc/04/28/87/571042887.db2.gz YOLYAIIYTKPALH-NRFANRHFSA-N 1 0 362.502 3.702 40 0 FHABRO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306143944 571043000 /nfs/dbraw/zinc/04/30/00/571043000.db2.gz YRKUXILSNJBNQT-ICSRJNTNSA-N 1 0 357.450 3.600 40 0 FHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602910 571048581 /nfs/dbraw/zinc/04/85/81/571048581.db2.gz HARNXYQCPWWREI-DYESRHJHSA-N 1 0 362.514 3.941 40 0 FHABRO CCC(CC)c1cc([C@H]2C[N@@H+]3CC[C@H]2C[C@@H]3CO)nc(-c2ccncc2)n1 ZINC000008622903 571053282 /nfs/dbraw/zinc/05/32/82/571053282.db2.gz AFYSCWJSGIIGGW-OTWHNJEPSA-N 1 0 366.509 3.612 40 0 biogenic,in-vitro FHABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812531 571123207 /nfs/dbraw/zinc/12/32/07/571123207.db2.gz FJSULGHVPIXIBA-JTSKRJEESA-N 1 0 374.525 3.941 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260812332 571123392 /nfs/dbraw/zinc/12/33/92/571123392.db2.gz AMILESRALIBYPF-KKSFZXQISA-N 1 0 360.498 3.551 40 0 FHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818202 571123858 /nfs/dbraw/zinc/12/38/58/571123858.db2.gz XQWNQTBWYQCCGV-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1ncsc1C[NH+]1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 ZINC000248042796 571127501 /nfs/dbraw/zinc/12/75/01/571127501.db2.gz PHSHVCHENBXTPL-KRWDZBQOSA-N 1 0 373.522 3.687 40 0 FHABRO Cc1cc(C)cc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000065992639 571145477 /nfs/dbraw/zinc/14/54/77/571145477.db2.gz UWIMLMRYWMFVST-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1ccc3c(c1)CCCC3)CC2 ZINC000257209477 571150069 /nfs/dbraw/zinc/15/00/69/571150069.db2.gz BQNLKTVYGUKGEV-UHFFFAOYSA-N 1 0 356.510 3.785 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257232500 571152606 /nfs/dbraw/zinc/15/26/06/571152606.db2.gz GLCFYUSOKQDYGX-QGZVFWFLSA-N 1 0 366.534 3.606 40 0 FHABRO Cc1ccc2c(c1)OC1(CC[NH+](Cc3cnn(C)c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257234781 571152736 /nfs/dbraw/zinc/15/27/36/571152736.db2.gz GVBRUTACUKWCBL-PZJWPPBQSA-N 1 0 367.493 3.623 40 0 FHABRO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257274992 571156916 /nfs/dbraw/zinc/15/69/16/571156916.db2.gz NNNJZLHEHPOQKT-MRXNPFEDSA-N 1 0 373.526 3.591 40 0 FHABRO Cc1cccc(Nc2cnc([C@@H]3CCC[N@H+](Cc4cncs4)C3)cn2)n1 ZINC000257284136 571158099 /nfs/dbraw/zinc/15/80/99/571158099.db2.gz PBIXSZPBJPJZIL-OAHLLOKOSA-N 1 0 366.494 3.760 40 0 FHABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257297409 571159284 /nfs/dbraw/zinc/15/92/84/571159284.db2.gz RHDMOWRKEJMYBG-KRWDZBQOSA-N 1 0 361.873 3.534 40 0 FHABRO Cn1cncc1-c1cncc(C2CCN(Cc3cc(F)ccc3F)CC2)n1 ZINC000257298240 571159329 /nfs/dbraw/zinc/15/93/29/571159329.db2.gz RKUYNOKPPWPJSG-UHFFFAOYSA-N 1 0 369.419 3.535 40 0 FHABRO CC[N@H+](C)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C2(C1)CCCCC2 ZINC000019704925 571172192 /nfs/dbraw/zinc/17/21/92/571172192.db2.gz ZQUXULVJBUAHBK-GOSISDBHSA-N 1 0 353.510 3.966 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)cc(N)n2n1 ZINC000072339776 571179216 /nfs/dbraw/zinc/17/92/16/571179216.db2.gz CRZQYZPFWYWQPQ-HNNXBMFYSA-N 1 0 355.873 3.653 40 0 FHABRO Cc1nc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345468 571179764 /nfs/dbraw/zinc/17/97/64/571179764.db2.gz MGCSYJOCOOWMOB-HXUWFJFHSA-N 1 0 366.509 3.647 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 ZINC000072348748 571180262 /nfs/dbraw/zinc/18/02/62/571180262.db2.gz MNYNWZLXXWVLPU-QGZVFWFLSA-N 1 0 369.484 3.936 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cn1 ZINC000072349977 571181500 /nfs/dbraw/zinc/18/15/00/571181500.db2.gz ZBUVLOVNEBCFBY-IBGZPJMESA-N 1 0 364.468 3.925 40 0 FHABRO Cc1cccnc1Nc1cccc([C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000072376052 571185767 /nfs/dbraw/zinc/18/57/67/571185767.db2.gz QWHNHQIQSUUXAV-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO c1ccc(CC[N@@H+]2CCCC[C@@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377573 571186613 /nfs/dbraw/zinc/18/66/13/571186613.db2.gz CACKBWCWLXHDQT-LJQANCHMSA-N 1 0 360.465 3.780 40 0 FHABRO c1ccc(CCC[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377921 571186858 /nfs/dbraw/zinc/18/68/58/571186858.db2.gz YDQXVJKMVQUFIE-IBGZPJMESA-N 1 0 360.465 3.780 40 0 FHABRO Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072383642 571188736 /nfs/dbraw/zinc/18/87/36/571188736.db2.gz IWDWVZJJHIPULB-QGZVFWFLSA-N 1 0 361.449 3.747 40 0 FHABRO COc1ccc(Oc2cncc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384263 571188884 /nfs/dbraw/zinc/18/88/84/571188884.db2.gz WQKWIYJZKXCBRU-LJQANCHMSA-N 1 0 355.438 3.593 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392743 571190243 /nfs/dbraw/zinc/19/02/43/571190243.db2.gz DGLQNYAOFOMQFQ-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO COc1c(C)cccc1C(=O)N[C@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257259337 571204459 /nfs/dbraw/zinc/20/44/59/571204459.db2.gz KXVXIPDWBXKBDR-ZWOKBUDYSA-N 1 0 367.493 3.635 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1ccccc1 ZINC000306126457 571213051 /nfs/dbraw/zinc/21/30/51/571213051.db2.gz DWKFGAQYSHQECN-UXHICEINSA-N 1 0 363.486 3.631 40 0 FHABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306126956 571213144 /nfs/dbraw/zinc/21/31/44/571213144.db2.gz FJZVLXOGDOPUTC-DHIUTWEWSA-N 1 0 371.484 3.878 40 0 FHABRO c1ccc(-c2ccc3nnc(C4CC[NH+](Cc5ccncc5)CC4)n3n2)cc1 ZINC000306127959 571213446 /nfs/dbraw/zinc/21/34/46/571213446.db2.gz GLVIGSJCKDVRNW-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)c1 ZINC000306131769 571213738 /nfs/dbraw/zinc/21/37/38/571213738.db2.gz KPIDZIHNMRTPPN-FQEVSTJZSA-N 1 0 369.465 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FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)o1 ZINC000096106140 222024869 /nfs/dbraw/zinc/02/48/69/222024869.db2.gz XFHDZJKWSPKFTE-HXUWFJFHSA-N 1 0 356.466 3.571 40 0 FHABRO Fc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096106775 222025289 /nfs/dbraw/zinc/02/52/89/222025289.db2.gz YPSIYXUFTPVHDE-LJQANCHMSA-N 1 0 356.441 3.561 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)s1 ZINC000096106819 222025472 /nfs/dbraw/zinc/02/54/72/222025472.db2.gz VWCUEMDJJRVHQJ-GOSISDBHSA-N 1 0 358.507 3.792 40 0 FHABRO Fc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)cc1 ZINC000096106825 222025545 /nfs/dbraw/zinc/02/55/45/222025545.db2.gz RTNYDLLFFGUHNW-HXUWFJFHSA-N 1 0 356.441 3.561 40 0 FHABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053348 222003328 /nfs/dbraw/zinc/00/33/28/222003328.db2.gz OTJWOBDADNNHLD-SFHVURJKSA-N 1 0 356.510 3.712 40 0 FHABRO c1ccc(C[NH+]2CCC3(CN(C[C@H]4CCCO4)c4ccccc43)CC2)nc1 ZINC000096078841 222015156 /nfs/dbraw/zinc/01/51/56/222015156.db2.gz DEBHNDPWFQRVLZ-HXUWFJFHSA-N 1 0 363.505 3.614 40 0 FHABRO CC(C)C(=O)N[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096079860 222016486 /nfs/dbraw/zinc/01/64/86/222016486.db2.gz RCFUJARZFNYWCR-LJQANCHMSA-N 1 0 368.477 3.910 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)s1 ZINC000096100326 222022084 /nfs/dbraw/zinc/02/20/84/222022084.db2.gz WLYNLTSMGMRWLD-OAQYLSRUSA-N 1 0 352.503 3.957 40 0 FHABRO COc1ccc2c(c1)C1(CCN(Cc3ccc(F)cc3)CC1)[N@@H+](C)CC2 ZINC000096100215 222022478 /nfs/dbraw/zinc/02/24/78/222022478.db2.gz LBISZZPBLGXOIN-UHFFFAOYSA-N 1 0 354.469 3.814 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@H]3c2ccccc2)s1 ZINC000096100286 222022560 /nfs/dbraw/zinc/02/25/60/222022560.db2.gz FXKVEMRSBKBBOO-IBGZPJMESA-N 1 0 354.519 3.895 40 0 FHABRO CCC(=O)N[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242826 222098805 /nfs/dbraw/zinc/09/88/05/222098805.db2.gz ISPQBPAYZJICTJ-SFHVURJKSA-N 1 0 354.450 3.664 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)cs1 ZINC000096263409 222104655 /nfs/dbraw/zinc/10/46/55/222104655.db2.gz LIXJQFDZZUXKSD-UHFFFAOYSA-N 1 0 364.518 3.706 40 0 FHABRO CCOC[C@H]1CCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)[N@@H+]1C ZINC000096207372 222077153 /nfs/dbraw/zinc/07/71/53/222077153.db2.gz SPXFAZONNNJCLV-QGZVFWFLSA-N 1 0 356.466 3.538 40 0 FHABRO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2cccs2)CC3)n1 ZINC000096228299 222089248 /nfs/dbraw/zinc/08/92/48/222089248.db2.gz ONIUQIMJOVMNLR-UHFFFAOYSA-N 1 0 355.507 3.609 40 0 FHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCCC3)CC2)nn1C ZINC000100687651 222249028 /nfs/dbraw/zinc/24/90/28/222249028.db2.gz WEMYLABRANWXSM-HDICACEKSA-N 1 0 360.546 3.547 40 0 FHABRO Cc1cccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000100749991 222251576 /nfs/dbraw/zinc/25/15/76/222251576.db2.gz IAVMHKVDDWJUKA-KPLVRAHFSA-N 1 0 351.494 3.555 40 0 FHABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076843 263385047 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CC1(C)Oc2ccccc2[C@H]2OCC3(CC[NH+](Cc4c[nH]cn4)CC3)C[C@@H]21 ZINC000257264379 527817198 /nfs/dbraw/zinc/81/71/98/527817198.db2.gz LUCGPTRUMPKCOR-AZUAARDMSA-N 1 0 367.493 3.941 40 0 FHABRO CC1(C)CC2(CO1)CC[NH+](CC(=O)Nc1cccc3c1CCCC3)CC2 ZINC000257290769 528892138 /nfs/dbraw/zinc/89/21/38/528892138.db2.gz QEGJJVZJRUCMCC-UHFFFAOYSA-N 1 0 356.510 3.785 40 0 FHABRO C[C@@]1(O)CC[N@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289970 560031031 /nfs/dbraw/zinc/03/10/31/560031031.db2.gz RQBFYHPBWHNEFR-QNWVGRARSA-N 1 0 370.537 3.660 40 0 biogenic,in-vitro FHABRO CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1[NH2+]C1CCOCC1 ZINC000067889995 560050114 /nfs/dbraw/zinc/05/01/14/560050114.db2.gz YKTWQHXDHYGHIC-IERDGZPVSA-N 1 0 370.493 3.979 40 0 biogenic,in-vitro FHABRO CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222818427 568567103 /nfs/dbraw/zinc/56/71/03/568567103.db2.gz DUGVFTPLYIFLSJ-MOPGFXCFSA-N 1 0 363.490 3.648 40 0 FHABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000223253224 568630661 /nfs/dbraw/zinc/63/06/61/568630661.db2.gz ALPTYUYMOUNOGP-GCJKJVERSA-N 1 0 372.553 3.961 40 0 FHABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccco1)CC2 ZINC000096036976 570472224 /nfs/dbraw/zinc/47/22/24/570472224.db2.gz VLNMPCXLCXHURM-UHFFFAOYSA-N 1 0 362.477 3.580 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)s1 ZINC000096047044 570472913 /nfs/dbraw/zinc/47/29/13/570472913.db2.gz GLVFMGXWLDBOFY-FQEVSTJZSA-N 1 0 355.507 3.580 40 0 FHABRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2nccs2)CC3)cc1 ZINC000096046619 570473216 /nfs/dbraw/zinc/47/32/16/570473216.db2.gz KOUVLGDDWDVDAD-UHFFFAOYSA-N 1 0 357.523 3.640 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)CC3)CC2)o1 ZINC000096047287 570473539 /nfs/dbraw/zinc/47/35/39/570473539.db2.gz PCVRCOHXOKJAHZ-UHFFFAOYSA-N 1 0 359.495 3.563 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)CC2)N1Cc1cccc(F)c1 ZINC000096047548 570473699 /nfs/dbraw/zinc/47/36/99/570473699.db2.gz PTHDSXXLXSHQPK-OAQYLSRUSA-N 1 0 356.441 3.966 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1ccc(F)cc1 ZINC000585269381 570485092 /nfs/dbraw/zinc/48/50/92/570485092.db2.gz RECVNZMZBCOMAM-SFTDATJTSA-N 1 0 358.432 3.677 40 0 FHABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000585271405 570485460 /nfs/dbraw/zinc/48/54/60/570485460.db2.gz YCRSAZOGAKLBMJ-QFIPXVFZSA-N 1 0 365.477 3.667 40 0 FHABRO O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585286532 570494633 /nfs/dbraw/zinc/49/46/33/570494633.db2.gz ZJMDTLCKSGOSQC-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO N[C@@H](c1nc(-c2ccc(Br)o2)n[nH]1)c1ccc(Cl)cc1 ZINC000095534039 570526425 /nfs/dbraw/zinc/52/64/25/570526425.db2.gz ZLCCVVLRLTYMOO-LLVKDONJSA-N 1 0 353.607 3.529 40 0 FHABRO CCC[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216404 570533623 /nfs/dbraw/zinc/53/36/23/570533623.db2.gz FSTUIIBEZZWSAD-SFHVURJKSA-N 1 0 374.529 3.686 40 0 FHABRO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219367 570534494 /nfs/dbraw/zinc/53/44/94/570534494.db2.gz XTKDACQDOJWGEJ-OAQYLSRUSA-N 1 0 351.494 3.954 40 0 FHABRO Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812403 570607899 /nfs/dbraw/zinc/60/78/99/570607899.db2.gz ALGBIQNSNSQKKV-XEYPJELSSA-N 1 0 354.494 3.955 40 0 FHABRO Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc(OCCF)cc2)c(C)c1 ZINC000257310107 570627277 /nfs/dbraw/zinc/62/72/77/570627277.db2.gz UDSAFBGYWJRCHM-LJQANCHMSA-N 1 0 361.457 3.523 40 0 FHABRO CC1(C)Cc2nc(NC(=O)c3ccc(C[NH+]4CCCC4)o3)sc2C(=O)C1 ZINC000035315654 570642191 /nfs/dbraw/zinc/64/21/91/570642191.db2.gz IFCGGYMRZNYOEE-UHFFFAOYSA-N 1 0 373.478 3.739 40 0 FHABRO CCOc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCC ZINC000006870227 570655603 /nfs/dbraw/zinc/65/56/03/570655603.db2.gz WWVBWIYNMUGVAP-UHFFFAOYSA-N 1 0 365.271 3.931 40 0 FHABRO CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1 ZINC000004857018 570671412 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TTZUNUJQPINUCB-OXJNMPFZSA-N 1 0 354.429 3.809 40 0 FHABRO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F ZINC000008469123 570795995 /nfs/dbraw/zinc/79/59/95/570795995.db2.gz UHJXGCQXUOLWPH-UHFFFAOYSA-N 1 0 368.246 3.903 40 0 FHABRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540998 570803842 /nfs/dbraw/zinc/80/38/42/570803842.db2.gz ISUKIUWGXLYXGD-SFHVURJKSA-N 1 0 360.542 3.990 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CSCc2ccc(Cl)cc2)CC1 ZINC000010540276 570803849 /nfs/dbraw/zinc/80/38/49/570803849.db2.gz ZJZGVVVLYKZTJF-UHFFFAOYSA-N 1 0 354.947 3.811 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccc(F)cc2)CC1 ZINC000224527769 570992158 /nfs/dbraw/zinc/99/21/58/570992158.db2.gz IWAKXUCBDLYXFH-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000224552851 570993153 /nfs/dbraw/zinc/99/31/53/570993153.db2.gz CEDWAHGGSDNIFK-KRWDZBQOSA-N 1 0 354.469 3.958 40 0 FHABRO Cc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623202 570995122 /nfs/dbraw/zinc/99/51/22/570995122.db2.gz ZTLPAWLDBAJPJR-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039748279 571024466 /nfs/dbraw/zinc/02/44/66/571024466.db2.gz WCBMWGDTVFPMNO-UHFFFAOYSA-N 1 0 372.852 3.919 40 0 FHABRO COc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c2cccnc12 ZINC000225438260 571035409 /nfs/dbraw/zinc/03/54/09/571035409.db2.gz QNCFRXMGAQUZJN-UHFFFAOYSA-N 1 0 372.538 3.652 40 0 FHABRO CC(C)(Br)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225594851 571047997 /nfs/dbraw/zinc/04/79/97/571047997.db2.gz QYMMNGSVQBMVFX-UHFFFAOYSA-N 1 0 369.303 3.663 40 0 FHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225650738 571052699 /nfs/dbraw/zinc/05/26/99/571052699.db2.gz VZOIVPSAOIKRQZ-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C1CC1 ZINC000225671704 571054314 /nfs/dbraw/zinc/05/43/14/571054314.db2.gz VGUIUPLDTLZYSD-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000031527105 571054849 /nfs/dbraw/zinc/05/48/49/571054849.db2.gz VFQDGRKCFNLMQF-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225689054 571056289 /nfs/dbraw/zinc/05/62/89/571056289.db2.gz UMHFYTCIOBEAMF-FQEVSTJZSA-N 1 0 350.503 3.797 40 0 FHABRO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032461954 571057737 /nfs/dbraw/zinc/05/77/37/571057737.db2.gz LJKIZMIQLHOEHK-FMIVXFBMSA-N 1 0 350.462 3.621 40 0 FHABRO Fc1cccc(F)c1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225743298 571061296 /nfs/dbraw/zinc/06/12/96/571061296.db2.gz GHRGMHFBLCFZKJ-UHFFFAOYSA-N 1 0 361.461 3.700 40 0 FHABRO C[C@H](CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 ZINC000036719529 571081250 /nfs/dbraw/zinc/08/12/50/571081250.db2.gz NBDFZZHBQPJTOU-MJGOQNOKSA-N 1 0 374.488 3.815 40 0 FHABRO CC[C@@H]([NH2+]Cc1cnc(N2CCC[C@H](C)C2)nc1)c1ccc(OC)cc1 ZINC000036744069 571081594 /nfs/dbraw/zinc/08/15/94/571081594.db2.gz AJVHYBRQVYBPGB-OXJNMPFZSA-N 1 0 354.498 3.962 40 0 FHABRO Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000328989147 571106318 /nfs/dbraw/zinc/10/63/18/571106318.db2.gz IJDUTWPZCXTHIE-UHFFFAOYSA-N 1 0 373.932 3.575 40 0 FHABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260740914 571121674 /nfs/dbraw/zinc/12/16/74/571121674.db2.gz ALPTYUYMOUNOGP-AVRDEDQJSA-N 1 0 372.553 3.961 40 0 FHABRO CCCOC(C)(C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260818206 571124113 /nfs/dbraw/zinc/12/41/13/571124113.db2.gz XRTBTIRJUPZAFG-KRWDZBQOSA-N 1 0 362.514 3.941 40 0 FHABRO CC[NH+](CC)CC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2cncn21 ZINC000248232369 571128219 /nfs/dbraw/zinc/12/82/19/571128219.db2.gz CEMXJOULJIBFDL-QGZVFWFLSA-N 1 0 366.465 3.558 40 0 FHABRO C[C@@H]1C[C@H](OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC(C)(C)C1 ZINC000006007714 571136741 /nfs/dbraw/zinc/13/67/41/571136741.db2.gz DBIRBMRBTJPLEL-NJAFHUGGSA-N 1 0 355.563 3.593 40 0 FHABRO COc1cc(COCC2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1 ZINC000075156556 571157137 /nfs/dbraw/zinc/15/71/37/571157137.db2.gz GPDBTNWSCCWUBP-UHFFFAOYSA-N 1 0 356.466 3.528 40 0 FHABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@H](C)C1 ZINC000072335297 571179015 /nfs/dbraw/zinc/17/90/15/571179015.db2.gz ZPDOVFWOQIPZDK-AEFFLSMTSA-N 1 0 354.498 3.961 40 0 FHABRO CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@H]3C2)cn1 ZINC000072340459 571179191 /nfs/dbraw/zinc/17/91/91/571179191.db2.gz KNBCWMOYTUBDJR-HFSMHLIXSA-N 1 0 369.534 3.627 40 0 FHABRO CCCCC(=O)N1CCC[C@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342507 571179531 /nfs/dbraw/zinc/17/95/31/571179531.db2.gz BPMSWIXPPOYMTI-WMZOPIPTSA-N 1 0 374.525 3.804 40 0 FHABRO C[NH+](C)CC(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 ZINC000072350127 571181669 /nfs/dbraw/zinc/18/16/69/571181669.db2.gz YYRLXXYGIFSMSS-UHFFFAOYSA-N 1 0 371.912 3.593 40 0 FHABRO O=C(C1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@@H](Cc2ccccn2)C1 ZINC000072355175 571182478 /nfs/dbraw/zinc/18/24/78/571182478.db2.gz UABDZRKSNAQVDM-GOSISDBHSA-N 1 0 355.526 3.517 40 0 FHABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCCC[N@@H+]2CCOc2ccccc2)ccn1 ZINC000072357478 571182803 /nfs/dbraw/zinc/18/28/03/571182803.db2.gz ABUAFNMQCNPAGQ-IBGZPJMESA-N 1 0 363.465 3.660 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072375349 571185715 /nfs/dbraw/zinc/18/57/15/571185715.db2.gz VKQZIMAEAUYZJP-MRXNPFEDSA-N 1 0 354.483 3.661 40 0 FHABRO Cc1cc(C)nc(Nc2cccc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000072376062 571185732 /nfs/dbraw/zinc/18/57/32/571185732.db2.gz SXXSKYRAIYIOIL-KRWDZBQOSA-N 1 0 367.497 3.590 40 0 FHABRO c1ccc(CC[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cncnc3)n2)cc1 ZINC000072377580 571186545 /nfs/dbraw/zinc/18/65/45/571186545.db2.gz HZHSHNOTTHKUGX-FQEVSTJZSA-N 1 0 360.465 3.780 40 0 FHABRO C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCCC(N)=O ZINC000584577251 571186830 /nfs/dbraw/zinc/18/68/30/571186830.db2.gz TXKVQQWAWCREDG-VJYMJRGRSA-N 1 0 374.569 3.822 40 0 FHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378689 571186969 /nfs/dbraw/zinc/18/69/69/571186969.db2.gz MIQRYWJIZQTPTN-IBGZPJMESA-N 1 0 363.465 3.570 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3cccc(-n4ccnc4C)n3)CC2)cc1 ZINC000072379125 571187835 /nfs/dbraw/zinc/18/78/35/571187835.db2.gz GVEXNYLSSIRXTH-UHFFFAOYSA-N 1 0 362.477 3.964 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)c1 ZINC000072390036 571189686 /nfs/dbraw/zinc/18/96/86/571189686.db2.gz CTNPLZQFQPCOKQ-MRXNPFEDSA-N 1 0 350.422 3.520 40 0 FHABRO Cc1ccsc1C[NH+]1CCC(c2cc(=O)[nH]c(-c3ccccn3)n2)CC1 ZINC000072392834 571190430 /nfs/dbraw/zinc/19/04/30/571190430.db2.gz IGDPROFGDAUHJN-UHFFFAOYSA-N 1 0 366.490 3.994 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1OC ZINC000072395175 571190461 /nfs/dbraw/zinc/19/04/61/571190461.db2.gz CYBABHHUJLIMRY-RBUKOAKNSA-N 1 0 363.461 3.810 40 0 FHABRO Cc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)s1 ZINC000585103379 571223457 /nfs/dbraw/zinc/22/34/57/571223457.db2.gz AVHRHJFSLLSLKV-MRXNPFEDSA-N 1 0 353.553 3.560 40 0 FHABRO FC(F)(F)c1cc(N2CC[C@@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107926 571225025 /nfs/dbraw/zinc/22/50/25/571225025.db2.gz FWTAMBMLVMHZNM-HUUCEWRRSA-N 1 0 354.420 3.586 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cc1 ZINC000247877555 571290858 /nfs/dbraw/zinc/29/08/58/571290858.db2.gz HPMXDWWNRHTGIO-AVCGJXAMSA-N 1 0 367.489 3.824 40 0 FHABRO COC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000010338038 571303198 /nfs/dbraw/zinc/30/31/98/571303198.db2.gz GEBDQYHNWFHCFX-UHFFFAOYSA-N 1 0 352.434 3.630 40 0 FHABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2ccc(NC(C)=O)cc2)C2(C1)CCCCC2 ZINC000019704928 571304497 /nfs/dbraw/zinc/30/44/97/571304497.db2.gz XRINXNSRRUSNGA-IBGZPJMESA-N 1 0 357.498 3.514 40 0 FHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccccc1N1CCCCC1 ZINC000019712521 571304698 /nfs/dbraw/zinc/30/46/98/571304698.db2.gz KTIRNZMGVWAIBG-FGZHOGPDSA-N 1 0 355.526 3.652 40 0 FHABRO CC[NH+](CC)CC[C@H](C)N[C@@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188780 571321072 /nfs/dbraw/zinc/32/10/72/571321072.db2.gz LOMZMUNJURXOMN-RBUKOAKNSA-N 1 0 372.561 3.686 40 0 FHABRO CN1CCC([N@@H+]2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)CC1 ZINC000257245589 530049714 /nfs/dbraw/zinc/04/97/14/530049714.db2.gz IQFXQURFLIYICK-KRWDZBQOSA-N 1 0 357.473 3.678 40 0 FHABRO O=C(O[C@@H]1C[NH+]2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 ZINC000000602034 210074363 /nfs/dbraw/zinc/07/43/63/210074363.db2.gz FBOUYBDGKBSUES-FGZHOGPDSA-N 1 0 362.473 3.865 40 0 in-vitro FHABRO c1cc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cs1 ZINC000306138240 210056117 /nfs/dbraw/zinc/05/61/17/210056117.db2.gz RTBJDIIISRQQON-SFHVURJKSA-N 1 0 361.474 3.842 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306140094 210056030 /nfs/dbraw/zinc/05/60/30/210056030.db2.gz UJSWDGJEVQNVBP-XMMPIXPASA-N 1 0 370.500 3.949 40 0 FHABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)cc1 ZINC000306139958 210055706 /nfs/dbraw/zinc/05/57/06/210055706.db2.gz UFFXAKQVOGRVAQ-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@H]3C2)cc1 ZINC000306133502 210052816 /nfs/dbraw/zinc/05/28/16/210052816.db2.gz MNHVZYJNBPGKFF-FPOVZHCZSA-N 1 0 374.463 4.000 40 0 FHABRO Cc1cc(C)cc(C[NH+]2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)c1 ZINC000306127092 210052139 /nfs/dbraw/zinc/05/21/39/210052139.db2.gz FOHYUJDWQDQJTB-UHFFFAOYSA-N 1 0 370.518 3.574 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)co1 ZINC000306130316 210052179 /nfs/dbraw/zinc/05/21/79/210052179.db2.gz JCFGZLOQLPSGAK-LJQANCHMSA-N 1 0 359.433 3.764 40 0 FHABRO Cc1nc2c(n1C(C)C)CN(Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306134405 210054236 /nfs/dbraw/zinc/05/42/36/210054236.db2.gz NMGZSJSJSAQZCJ-UHFFFAOYSA-N 1 0 358.555 3.813 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCc2ccc(F)cc2)CC1 ZINC000224526650 222814506 /nfs/dbraw/zinc/81/45/06/222814506.db2.gz WKVRYZMPSQSZGT-UHFFFAOYSA-N 1 0 354.469 3.705 40 0 FHABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224638017 222817643 /nfs/dbraw/zinc/81/76/43/222817643.db2.gz OBZXEPNMBHRMHD-UHFFFAOYSA-N 1 0 366.505 3.848 40 0 FHABRO Cc1ncsc1C[N@H+]1CCC[C@@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257206889 223018107 /nfs/dbraw/zinc/01/81/07/223018107.db2.gz BFILSKSXRUAUTI-OAHLLOKOSA-N 1 0 353.495 3.627 40 0 FHABRO COCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2Cc1ccc(Cl)cc1 ZINC000257305804 223059008 /nfs/dbraw/zinc/05/90/08/223059008.db2.gz SRPTYBDRDXLYQI-RTBURBONSA-N 1 0 364.917 3.722 40 0 FHABRO Cc1noc(C)c1-c1cc(CC2CC[NH+](Cc3ccncc3)CC2)ncn1 ZINC000257337443 223071226 /nfs/dbraw/zinc/07/12/26/223071226.db2.gz YSTZCFXJCGSYEW-UHFFFAOYSA-N 1 0 363.465 3.598 40 0 FHABRO O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccc(Cl)cc2)C1 ZINC000015674077 220158714 /nfs/dbraw/zinc/15/87/14/220158714.db2.gz LJEXSUISHNBWDB-SJORKVTESA-N 1 0 355.825 3.698 40 0 biogenic,in-vitro FHABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)CC1 ZINC000022518600 211353969 /nfs/dbraw/zinc/35/39/69/211353969.db2.gz BFNOIVIIQZVFEG-UHFFFAOYSA-N 1 0 366.461 3.577 40 0 FHABRO Fc1ccc(-n2cc(-c3cncn3CCC[NH+]3CCCCC3)cn2)cc1 ZINC000019719682 211251531 /nfs/dbraw/zinc/25/15/31/211251531.db2.gz HMGRNCMNJQBYQM-UHFFFAOYSA-N 1 0 353.445 3.751 40 0 FHABRO COCC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000019745817 211254214 /nfs/dbraw/zinc/25/42/14/211254214.db2.gz OPPHJULOMCORQW-LJQANCHMSA-N 1 0 371.525 3.729 40 0 FHABRO COCC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cn(C(C)C)c2ccccc12 ZINC000019745815 211253258 /nfs/dbraw/zinc/25/32/58/211253258.db2.gz OPPHJULOMCORQW-IBGZPJMESA-N 1 0 371.525 3.729 40 0 FHABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccccn1 ZINC000019590816 211240103 /nfs/dbraw/zinc/24/01/03/211240103.db2.gz ZJAFWIWGGIXIJY-TYPHKJRUSA-N 1 0 367.468 3.703 40 0 FHABRO Cc1cc(C)n([C@@H](C)C(=O)Nc2cccc(C[NH+]3CCC(C)CC3)c2)n1 ZINC000019716904 211249347 /nfs/dbraw/zinc/24/93/47/211249347.db2.gz LEBRIFQGDKUGRI-SFHVURJKSA-N 1 0 354.498 3.932 40 0 FHABRO CC[C@H](C[NH+]1CCOCC1)n1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019654565 211242096 /nfs/dbraw/zinc/24/20/96/211242096.db2.gz XPRSNXVLEHABDQ-GOSISDBHSA-N 1 0 357.502 3.535 40 0 FHABRO C[C@H]1C[C@H]1C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000019462807 211224052 /nfs/dbraw/zinc/22/40/52/211224052.db2.gz IMPPOBNSPPUYNM-GOEBONIOSA-N 1 0 354.498 3.907 40 0 FHABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCCC[C@@H]1c1ccn(C)n1 ZINC000019456853 211222604 /nfs/dbraw/zinc/22/26/04/211222604.db2.gz CUCHGCHVFURNDD-QFBILLFUSA-N 1 0 355.482 3.945 40 0 FHABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCCC2)n1 ZINC000019572884 211235466 /nfs/dbraw/zinc/23/54/66/211235466.db2.gz ZIPBHABVJLPPRW-VQTJNVASSA-N 1 0 360.546 3.708 40 0 FHABRO CC[NH+]1CCC(n2nccc2NC(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000019527060 211228463 /nfs/dbraw/zinc/22/84/63/211228463.db2.gz JVXGBFMYBZBTBU-UHFFFAOYSA-N 1 0 352.438 3.847 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(OC)c(OC)c1 ZINC000019527216 211227845 /nfs/dbraw/zinc/22/78/45/211227845.db2.gz IDLPUGQVDBTYMP-FQEVSTJZSA-N 1 0 369.509 3.585 40 0 FHABRO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000019497537 211226014 /nfs/dbraw/zinc/22/60/14/211226014.db2.gz SYFATPZOLSEJKU-GASCZTMLSA-N 1 0 351.450 3.848 40 0 FHABRO O=C(Cc1ccccc1)N1C[C@@H]2CCCC[N@@H+](Cc3cccc(F)c3)[C@@H]2C1 ZINC000019370319 211217922 /nfs/dbraw/zinc/21/79/22/211217922.db2.gz ZMVWHQNUTVDOGH-RBBKRZOGSA-N 1 0 366.480 3.881 40 0 FHABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)C1CC1 ZINC000019348861 211216750 /nfs/dbraw/zinc/21/67/50/211216750.db2.gz IEXZWOJXVQRHRE-NRFANRHFSA-N 1 0 367.468 3.700 40 0 FHABRO Clc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3[NH+]2CCOCC2)c1Cl ZINC000019292603 211213554 /nfs/dbraw/zinc/21/35/54/211213554.db2.gz YKGLZZKVLQIVQY-MCPYQZEQSA-N 1 0 369.336 3.926 40 0 FHABRO COc1cc(C[NH2+]C(C)(C)CC(C)(C)C)c(Cl)cc1OCC(N)=O ZINC000036612795 211126186 /nfs/dbraw/zinc/12/61/86/211126186.db2.gz YMHCDLFLSDUZRQ-UHFFFAOYSA-N 1 0 356.894 3.517 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC[C@H](C)c4ccccc4)CC3)cc(N)n2n1 ZINC000012121560 210918576 /nfs/dbraw/zinc/91/85/76/210918576.db2.gz XCOBFKSDJJXMEF-INIZCTEOSA-N 1 0 363.509 3.993 40 0 FHABRO Cc1cccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000007923791 210760312 /nfs/dbraw/zinc/76/03/12/210760312.db2.gz AVIAWSLWDYMJTO-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO C[C@@H]1C[C@@]2(C[C@H](C[NH+](C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 ZINC000005495946 210623919 /nfs/dbraw/zinc/62/39/19/210623919.db2.gz NEYOBFYBCKOYGK-FQELHTAISA-N 1 0 363.498 3.591 40 0 FHABRO CC(=Cc1ccccc1)C=C1NC(=S)N(C[NH+]2CCCCCC2)C1=O ZINC000001637129 210363865 /nfs/dbraw/zinc/36/38/65/210363865.db2.gz CNEMYHOTGQXXLA-DIHSMVEZSA-N 1 0 355.507 3.935 40 0 FHABRO O=c1ccc(-c2ccco2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccs2)C1 ZINC000020503421 220331894 /nfs/dbraw/zinc/33/18/94/220331894.db2.gz JOACMQDQLSXFBH-LSDHHAIUSA-N 1 0 352.459 3.789 40 0 biogenic,in-vitro FHABRO c1[nH]c2ccccc2c1Cc1nnc([C@H]2CC[N@@H+](Cc3ccncc3)C2)o1 ZINC000049169778 221020631 /nfs/dbraw/zinc/02/06/31/221020631.db2.gz VBEWFOMKLQZDKY-INIZCTEOSA-N 1 0 359.433 3.526 40 0 biogenic,in-vitro FHABRO CC(C)c1nc(N2Cc3ccccc3CC2(C)C)cc(NCCCO)[nH+]1 ZINC000328968403 132371727 /nfs/dbraw/zinc/37/17/27/132371727.db2.gz CYJQOXWLCPQUPO-UHFFFAOYSA-N 1 0 354.498 3.736 40 0 FHABRO Cc1nc(N2CCc3cc(C(C)(C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329013059 132372604 /nfs/dbraw/zinc/37/26/04/132372604.db2.gz MNHAVFAJGWMKLK-UHFFFAOYSA-N 1 0 366.509 3.930 40 0 FHABRO O[C@@H](c1ccccn1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340684 136144556 /nfs/dbraw/zinc/14/45/56/136144556.db2.gz DJCZMTGTJWRGMA-OAQYLSRUSA-N 1 0 365.502 3.547 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4ccccn4)CO3)CC2)cc1 ZINC000096106885 222026446 /nfs/dbraw/zinc/02/64/46/222026446.db2.gz UUSNNYWNAWKXNS-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(CCN(Cc4cccc(C)c4)C3=O)C2)s1 ZINC000096050571 222001187 /nfs/dbraw/zinc/00/11/87/222001187.db2.gz WJSNWCPRSCEGPR-NRFANRHFSA-N 1 0 354.519 3.990 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)cc1 ZINC000096051154 222001671 /nfs/dbraw/zinc/00/16/71/222001671.db2.gz BYYHAUHQAKUCIF-LJQANCHMSA-N 1 0 361.411 3.958 40 0 FHABRO COCCN1c2ccccc2C2(CC[NH+](Cc3ccc(C)s3)CC2)C1=O ZINC000096052511 222003199 /nfs/dbraw/zinc/00/31/99/222003199.db2.gz QOWLSJVBBZNCGW-UHFFFAOYSA-N 1 0 370.518 3.583 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)s1 ZINC000096056578 222004812 /nfs/dbraw/zinc/00/48/12/222004812.db2.gz BLAFIJGWIPHQNI-IAGOWNOFSA-N 1 0 361.536 3.587 40 0 FHABRO O=C([C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)N1CCCC1 ZINC000096079325 222015383 /nfs/dbraw/zinc/01/53/83/222015383.db2.gz OVDHDDKJTQOJLP-FQEVSTJZSA-N 1 0 364.489 3.923 40 0 FHABRO Clc1cccc(-c2cnc3n2C[C@H](C[NH2+]Cc2ccccc2)OC3)c1 ZINC000096269361 222107885 /nfs/dbraw/zinc/10/78/85/222107885.db2.gz RZEMVSYYIGHBLG-SFHVURJKSA-N 1 0 353.853 3.892 40 0 biogenic,in-vitro FHABRO CC(C)n1c2cc(C(=O)N3CCC([NH+](C)C)CC3)n(C)c2c2ccccc21 ZINC000096146403 222049289 /nfs/dbraw/zinc/04/92/89/222049289.db2.gz BUOKBWXDANYDNX-UHFFFAOYSA-N 1 0 366.509 3.880 40 0 FHABRO CC(C)n1c(C(=O)N2CCC([NH+](C)C)CC2)cc2c1c1ccccc1n2C ZINC000096146285 222049294 /nfs/dbraw/zinc/04/92/94/222049294.db2.gz HRDKDEUUUWWIGW-UHFFFAOYSA-N 1 0 366.509 3.880 40 0 FHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2)N1CC=CC1 ZINC000096159371 222057408 /nfs/dbraw/zinc/05/74/08/222057408.db2.gz DKKIAFARNRPPHT-UHFFFAOYSA-N 1 0 353.510 3.643 40 0 FHABRO O=C(c1ccco1)N1CC2(CC[NH+](CC3CC3)CC2)c2cc(F)ccc21 ZINC000096161047 222059400 /nfs/dbraw/zinc/05/94/00/222059400.db2.gz PYHBIHQETDSDGM-UHFFFAOYSA-N 1 0 354.425 3.823 40 0 FHABRO Cc1ccsc1C[N@@H+]1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 ZINC000096205930 222076965 /nfs/dbraw/zinc/07/69/65/222076965.db2.gz HDWUAYXTQDVIGE-ICSRJNTNSA-N 1 0 358.507 3.792 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2cccc(C)n2)C3)cc1 ZINC000096216133 222081499 /nfs/dbraw/zinc/08/14/99/222081499.db2.gz AVXBVSFSBGYLSI-HSZRJFAPSA-N 1 0 365.521 3.887 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 ZINC000096216267 222082509 /nfs/dbraw/zinc/08/25/09/222082509.db2.gz GNYBGWLTWHWNRK-JOCHJYFZSA-N 1 0 370.541 3.720 40 0 FHABRO Cc1nc(CN2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)cs1 ZINC000096220976 222085663 /nfs/dbraw/zinc/08/56/63/222085663.db2.gz RVBKKEJLMGBPLE-FQEVSTJZSA-N 1 0 371.550 3.707 40 0 FHABRO O=C(NCCc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096625981 222126462 /nfs/dbraw/zinc/12/64/62/222126462.db2.gz FHYQIRKZHWBUAL-UHFFFAOYSA-N 1 0 358.432 3.536 40 0 FHABRO CCOc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750299 222252386 /nfs/dbraw/zinc/25/23/86/222252386.db2.gz XQPLZJZQYOWTNX-LLGFUMIMSA-N 1 0 367.493 3.717 40 0 FHABRO Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000107248546 222392272 /nfs/dbraw/zinc/39/22/72/222392272.db2.gz PKVOCIQBDCMKIS-HSZRJFAPSA-N 1 0 372.472 3.521 40 0 FHABRO CC[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241774 263378569 /nfs/dbraw/zinc/37/85/69/263378569.db2.gz LBMIIHJMILENIC-LJQANCHMSA-N 1 0 365.521 3.533 40 0 FHABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022076845 263385468 /nfs/dbraw/zinc/38/54/68/263385468.db2.gz SWLUUPYQFONYSZ-QVKFZJNVSA-N 1 0 365.429 3.945 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OC ZINC000039754544 263399129 /nfs/dbraw/zinc/39/91/29/263399129.db2.gz VHDHYEINCVRVKZ-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000039749132 263399553 /nfs/dbraw/zinc/39/95/53/263399553.db2.gz IQUZEIKGOVPZIR-UHFFFAOYSA-N 1 0 372.440 3.694 40 0 FHABRO Cc1ccsc1C[N@H+]1CC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257345025 534472743 /nfs/dbraw/zinc/47/27/43/534472743.db2.gz ZZQAMZOJVNRROD-OAHLLOKOSA-N 1 0 353.495 3.545 40 0 FHABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020490987 523041645 /nfs/dbraw/zinc/04/16/45/523041645.db2.gz DVQKKJLAHZBQCH-PKOBYXMFSA-N 1 0 350.478 3.754 40 0 FHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+]([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019913615 526972249 /nfs/dbraw/zinc/97/22/49/526972249.db2.gz CIQVBVNZVDDABJ-UCNVEGJOSA-N 1 0 364.489 3.551 40 0 FHABRO CC(C)[C@H]1CC2(CC[NH+](CC(N)=O)CC2)CO[C@@H]1c1ccccc1Cl ZINC000257344314 527757855 /nfs/dbraw/zinc/75/78/55/527757855.db2.gz ZWPCADSXNFLETA-VQIMIIECSA-N 1 0 364.917 3.641 40 0 FHABRO CC(C)[N@@H+]1CC[C@@H](c2ccnc(Nc3cc(C(F)(F)F)ccn3)n2)C1 ZINC000257302909 529072640 /nfs/dbraw/zinc/07/26/40/529072640.db2.gz SEYBDRLQGKSHJD-GFCCVEGCSA-N 1 0 351.376 3.832 40 0 FHABRO COc1ccccc1C[N@@H+]1CC[C@H]2COC(=O)N2c2cc(C)ccc2C1 ZINC000225489751 560042477 /nfs/dbraw/zinc/04/24/77/560042477.db2.gz LFIJSYDOHAFSHX-SFHVURJKSA-N 1 0 352.434 3.735 40 0 biogenic,in-vitro FHABRO CC(C)(C)C[N@@H+]1CCC[C@H]1c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000035425767 560080687 /nfs/dbraw/zinc/08/06/87/560080687.db2.gz MPXGFVCQYMYNSL-HNNXBMFYSA-N 1 0 352.442 3.500 40 0 biogenic,in-vitro FHABRO CC(C)(C)c1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CCCCC2)no1 ZINC000008623522 560209912 /nfs/dbraw/zinc/20/99/12/560209912.db2.gz NTTXENGPXCCYCF-HOTGVXAUSA-N 1 0 361.530 3.579 40 0 biogenic,in-vitro FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000222723655 568557037 /nfs/dbraw/zinc/55/70/37/568557037.db2.gz DLKASNGMTPHLJJ-FQEVSTJZSA-N 1 0 358.526 3.506 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000222818113 568567082 /nfs/dbraw/zinc/56/70/82/568567082.db2.gz FQFDGTXDNCGGTA-HXUWFJFHSA-N 1 0 358.526 3.715 40 0 FHABRO Cc1ccc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000222831277 568569034 /nfs/dbraw/zinc/56/90/34/568569034.db2.gz YXRBKHZVKSISRQ-UHFFFAOYSA-N 1 0 368.477 3.794 40 0 FHABRO CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222863497 568573738 /nfs/dbraw/zinc/57/37/38/568573738.db2.gz DJPCNLXNFXNPAH-RTBURBONSA-N 1 0 363.490 3.650 40 0 FHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000223306014 568637769 /nfs/dbraw/zinc/63/77/69/568637769.db2.gz QIPDFIBFCZPVNT-UHFFFAOYSA-N 1 0 372.896 3.917 40 0 FHABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1cccnc1)CC2 ZINC000096047300 570473640 /nfs/dbraw/zinc/47/36/40/570473640.db2.gz BGWVGTSXDYZOIL-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO CC(=O)N1CC[C@H]2[C@@H](C1)CCCC[N@@H+]2C[C@@]1(O)CC[C@H](C(C)(C)C)CC1 ZINC000585286833 570494451 /nfs/dbraw/zinc/49/44/51/570494451.db2.gz RFWOAHXVAONPIA-JBPLPALLSA-N 1 0 364.574 3.677 40 0 FHABRO COc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585285608 570494697 /nfs/dbraw/zinc/49/46/97/570494697.db2.gz PLMVOCVZQHQMTE-CEWLAPEOSA-N 1 0 359.441 3.627 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000585289434 570494991 /nfs/dbraw/zinc/49/49/91/570494991.db2.gz JLKZBFJDRLINRU-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694547 570527959 /nfs/dbraw/zinc/52/79/59/570527959.db2.gz VLWDXHLABKTLOC-AEFFLSMTSA-N 1 0 363.542 3.954 40 0 FHABRO Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345953 570538153 /nfs/dbraw/zinc/53/81/53/570538153.db2.gz XNRRKZXLHWVZJW-QGZVFWFLSA-N 1 0 363.440 3.640 40 0 FHABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000004522441 570594928 /nfs/dbraw/zinc/59/49/28/570594928.db2.gz RDWVATZAASWVFR-GCKMJXCFSA-N 1 0 357.498 3.527 40 0 FHABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@@H+]2CC[C@H](C)C[C@H]2C)c1 ZINC000004522429 570595178 /nfs/dbraw/zinc/59/51/78/570595178.db2.gz ASNCKFJWFVCYMZ-GCKMJXCFSA-N 1 0 357.498 3.527 40 0 FHABRO C[NH+](C)CCNc1nc(NCCc2ccccc2)cc(-c2ccccc2)n1 ZINC000244546586 570610916 /nfs/dbraw/zinc/61/09/16/570610916.db2.gz ZZKVXPPFCDNFEY-UHFFFAOYSA-N 1 0 361.493 3.772 40 0 FHABRO CC(/C=C1/NC(=S)N(C[NH+]2CCCCCC2)C1=O)=C/c1ccccc1 ZINC000005854805 570637055 /nfs/dbraw/zinc/63/70/55/570637055.db2.gz CNEMYHOTGQXXLA-ODINJJDSSA-N 1 0 355.507 3.524 40 0 FHABRO Cn1c(COc2cccc3ccccc32)nnc1SCC[NH+]1CCCC1 ZINC000035311077 570642630 /nfs/dbraw/zinc/64/26/30/570642630.db2.gz OTEAIQXLCGKPOV-UHFFFAOYSA-N 1 0 368.506 3.735 40 0 FHABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1 ZINC000006462830 570647384 /nfs/dbraw/zinc/64/73/84/570647384.db2.gz QOYXFSFWYDYREN-UHFFFAOYSA-N 1 0 373.428 3.968 40 0 FHABRO S=C(NC1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000004886042 570672565 /nfs/dbraw/zinc/67/25/65/570672565.db2.gz VUYXYLCAUWDIDR-IHWFROFDSA-N 1 0 357.567 3.979 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000007850114 570674288 /nfs/dbraw/zinc/67/42/88/570674288.db2.gz NSAFKURQWCPGED-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO C[n+]1ccc(/C=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1 ZINC000004932905 570674273 /nfs/dbraw/zinc/67/42/73/570674273.db2.gz PJTKVBXSSPWWSE-UHFFFAOYSA-O 1 0 372.448 3.546 40 0 FHABRO C[C@H]1[C@H]([NH2+]C[C@H](O)COCCOc2ccc(Cl)cc2)CCC[C@@H]1C ZINC000006640860 570681793 /nfs/dbraw/zinc/68/17/93/570681793.db2.gz OSISLWGQAJWPLM-JHDROBOHSA-N 1 0 355.906 3.511 40 0 FHABRO Cc1cc2nc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)cc(N)n2n1 ZINC000012121501 570720650 /nfs/dbraw/zinc/72/06/50/570720650.db2.gz TUMPHMPUOVDRNR-UHFFFAOYSA-N 1 0 355.873 3.653 40 0 FHABRO Cc1c2ccccc2[nH]c1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000012122449 570720759 /nfs/dbraw/zinc/72/07/59/570720759.db2.gz DZQPKDBGQRXOMW-UHFFFAOYSA-N 1 0 371.444 3.592 40 0 FHABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC(C)(C)C[N@H+]1CCC[C@H](C)C1 ZINC000012143800 570721878 /nfs/dbraw/zinc/72/18/78/570721878.db2.gz WGJISNWLJJQROS-HNNXBMFYSA-N 1 0 354.498 3.625 40 0 FHABRO CC[NH+](CC)CCCNc1ncc(-c2cc(C)no2)c(-c2ccco2)n1 ZINC000012184329 570724299 /nfs/dbraw/zinc/72/42/99/570724299.db2.gz KMNSPAGTLKOMTH-UHFFFAOYSA-N 1 0 355.442 3.844 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000012256677 570731417 /nfs/dbraw/zinc/73/14/17/570731417.db2.gz WYKHNBKYDAKDCP-IBGZPJMESA-N 1 0 360.461 3.666 40 0 FHABRO O=C(C1CCCC1)N1CCCc2cc([C@H](O)C[NH+]3CCCCC3)ccc21 ZINC000012291625 570732367 /nfs/dbraw/zinc/73/23/67/570732367.db2.gz BNDPOGVNZJOCEF-OAQYLSRUSA-N 1 0 356.510 3.675 40 0 FHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2)c1ccccc1 ZINC000012293328 570732669 /nfs/dbraw/zinc/73/26/69/570732669.db2.gz OSRVTZRKUNSAPD-RTBURBONSA-N 1 0 373.880 3.724 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000012293065 570732783 /nfs/dbraw/zinc/73/27/83/570732783.db2.gz ZDSJXVXGWLUCJT-INIZCTEOSA-N 1 0 353.462 3.502 40 0 FHABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccccc3)CC1)O2 ZINC000012329244 570737151 /nfs/dbraw/zinc/73/71/51/570737151.db2.gz DTQALJQSFYPEBS-RTWAWAEBSA-N 1 0 367.489 3.688 40 0 FHABRO Cc1cccc(NC(=[NH2+])Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1C ZINC000017074433 570869585 /nfs/dbraw/zinc/86/95/85/570869585.db2.gz SXXSKGLZVIEAMR-UHFFFAOYSA-N 1 0 361.449 3.745 40 0 FHABRO C[NH+]1CCN(CCOC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000019364912 570887625 /nfs/dbraw/zinc/88/76/25/570887625.db2.gz QYIHVVRJOZKQPA-UHFFFAOYSA-N 1 0 369.490 3.673 40 0 FHABRO COc1ccc2[nH]c(C[N@H+](C)Cc3ccccc3N3CCOCC3)cc2c1 ZINC000019715807 570899928 /nfs/dbraw/zinc/89/99/28/570899928.db2.gz FKSWXLLHLLVLAL-UHFFFAOYSA-N 1 0 365.477 3.645 40 0 FHABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224094909 570976924 /nfs/dbraw/zinc/97/69/24/570976924.db2.gz MBXMEVGPOIIMDW-UHFFFAOYSA-N 1 0 352.478 3.708 40 0 FHABRO Cc1ccc(CC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000224624384 570995152 /nfs/dbraw/zinc/99/51/52/570995152.db2.gz DEGCPQZZBYHZFU-UHFFFAOYSA-N 1 0 352.478 3.958 40 0 FHABRO CC(C)[C@H](CNC(=O)c1cc(-c2ccccn2)nc2ccccc21)[NH+](C)C ZINC000025451490 570995861 /nfs/dbraw/zinc/99/58/61/570995861.db2.gz MWUTXSCWDNVJDP-NRFANRHFSA-N 1 0 362.477 3.613 40 0 FHABRO Cc1ccccc1OCC(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224642281 570996055 /nfs/dbraw/zinc/99/60/55/570996055.db2.gz HKGVDKMWFKXTGK-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000224791015 571000865 /nfs/dbraw/zinc/00/08/65/571000865.db2.gz JJTQNZYMJHKHSI-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CC(C)c1ccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000225213952 571022692 /nfs/dbraw/zinc/02/26/92/571022692.db2.gz DRODUMVOBGIANT-UHFFFAOYSA-N 1 0 361.555 3.740 40 0 FHABRO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039772216 571024153 /nfs/dbraw/zinc/02/41/53/571024153.db2.gz ZSESCQNZISHHIE-UHFFFAOYSA-N 1 0 368.546 3.948 40 0 FHABRO Cc1cc(NC(=S)NCCC[NH+]2CCCCC2)ccc1Br ZINC000225409862 571033673 /nfs/dbraw/zinc/03/36/73/571033673.db2.gz FVEKLNUTFKCVPF-UHFFFAOYSA-N 1 0 370.360 3.920 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)c(OC)c1 ZINC000225581237 571047041 /nfs/dbraw/zinc/04/70/41/571047041.db2.gz ANBDSRVIBSHBDZ-INIZCTEOSA-N 1 0 365.543 3.645 40 0 FHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225602292 571048560 /nfs/dbraw/zinc/04/85/60/571048560.db2.gz WRXUPVWGGBHFQZ-LLGFUMIMSA-N 1 0 362.514 3.797 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000225625934 571050754 /nfs/dbraw/zinc/05/07/54/571050754.db2.gz CXFGOFQSNIGRQJ-UHFFFAOYSA-N 1 0 360.498 3.695 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225647480 571052615 /nfs/dbraw/zinc/05/26/15/571052615.db2.gz HIWKYCRLKSSLBN-IAGOWNOFSA-N 1 0 362.514 3.797 40 0 FHABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225662448 571053756 /nfs/dbraw/zinc/05/37/56/571053756.db2.gz WDQAWAHBXDEBPP-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO CC[C@H]([NH2+]Cc1cnc(N2CCC[C@H](C)C2)nc1)c1ccc(OC)cc1 ZINC000036744067 571081399 /nfs/dbraw/zinc/08/13/99/571081399.db2.gz AJVHYBRQVYBPGB-JXFKEZNVSA-N 1 0 354.498 3.962 40 0 FHABRO CC[NH+](CC)CCCNC(=O)c1cc(-c2cccs2)nc2onc(C)c21 ZINC000013641887 571098918 /nfs/dbraw/zinc/09/89/18/571098918.db2.gz AMJBHOGJOYMLRL-UHFFFAOYSA-N 1 0 372.494 3.721 40 0 FHABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872546 571103612 /nfs/dbraw/zinc/10/36/12/571103612.db2.gz HGPJMGVOPBSBRA-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044907112 571104417 /nfs/dbraw/zinc/10/44/17/571104417.db2.gz BYRXOWOGPIOFCA-UHFFFAOYSA-N 1 0 352.478 3.654 40 0 FHABRO O=C(NCCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044909243 571104574 /nfs/dbraw/zinc/10/45/74/571104574.db2.gz RGFDQPPVZJDRQU-HXUWFJFHSA-N 1 0 354.469 3.787 40 0 FHABRO CCOc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044919759 571104860 /nfs/dbraw/zinc/10/48/60/571104860.db2.gz IYXYOKWPJXPRAG-LJQANCHMSA-N 1 0 370.468 3.753 40 0 FHABRO Clc1nnc2c(C[N@@H+](Cc3ccccc3)C[C@H]3CCCO3)c[nH]cc1-2 ZINC000057811025 571122912 /nfs/dbraw/zinc/12/29/12/571122912.db2.gz SVOGFUOETIBZJE-MRXNPFEDSA-N 1 0 356.857 3.793 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260818179 571124087 /nfs/dbraw/zinc/12/40/87/571124087.db2.gz WRXUPVWGGBHFQZ-FIKGOQFSSA-N 1 0 362.514 3.797 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)o1 ZINC000248100143 571127894 /nfs/dbraw/zinc/12/78/94/571127894.db2.gz NRNMFJVMMBDKMM-SFTDATJTSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1c(C)n(CCC(=O)N2CC[C@H]3[C@@H]2CCCC[N@H+]3C)c2ccccc12 ZINC000257320223 571161653 /nfs/dbraw/zinc/16/16/53/571161653.db2.gz VVVPOEPWPDPVIC-SFTDATJTSA-N 1 0 353.510 3.733 40 0 FHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000072330690 571178652 /nfs/dbraw/zinc/17/86/52/571178652.db2.gz YOKNWZCYBZJTLN-BJLQDIEVSA-N 1 0 358.482 3.724 40 0 FHABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@H+](CCOc3ccccc3)[C@@H]2C1 ZINC000072330642 571178680 /nfs/dbraw/zinc/17/86/80/571178680.db2.gz XDXWRNMGJYXQJG-PZJWPPBQSA-N 1 0 356.510 3.569 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@@H+](CC[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000072339791 571179090 /nfs/dbraw/zinc/17/90/90/571179090.db2.gz UVGASQWPSILMPX-APWZRJJASA-N 1 0 363.509 3.993 40 0 FHABRO CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340443 571179180 /nfs/dbraw/zinc/17/91/80/571179180.db2.gz WQBSKAJHYXKTIA-WTOYTKOKSA-N 1 0 371.500 3.860 40 0 FHABRO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)o1 ZINC000072339829 571179293 /nfs/dbraw/zinc/17/92/93/571179293.db2.gz HJGUWYQNISKYNZ-AWEZNQCLSA-N 1 0 364.449 3.698 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345945 571180004 /nfs/dbraw/zinc/18/00/04/571180004.db2.gz IJWSPPVTEOHGSZ-KRWDZBQOSA-N 1 0 363.440 3.640 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348749 571180236 /nfs/dbraw/zinc/18/02/36/571180236.db2.gz RXHBNKHXQKAGEX-SFHVURJKSA-N 1 0 369.484 3.936 40 0 FHABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348933 571180649 /nfs/dbraw/zinc/18/06/49/571180649.db2.gz PXOOERRVDHRICJ-IBGZPJMESA-N 1 0 372.472 3.622 40 0 FHABRO Fc1ccc(Oc2nccnc2C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000072362855 571184788 /nfs/dbraw/zinc/18/47/88/571184788.db2.gz GNFDVRXBZUXNAZ-UHFFFAOYSA-N 1 0 357.429 3.766 40 0 FHABRO Fc1ccccc1Oc1nccnc1[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072362851 571184847 /nfs/dbraw/zinc/18/48/47/571184847.db2.gz RPLBQBYSCQGUDZ-HNNXBMFYSA-N 1 0 357.429 3.766 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000072377423 571186040 /nfs/dbraw/zinc/18/60/40/571186040.db2.gz HFLVOVGDAWMXSC-MRXNPFEDSA-N 1 0 364.428 3.529 40 0 FHABRO c1cnc(Nc2nccc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)cn1 ZINC000072377848 571186408 /nfs/dbraw/zinc/18/64/08/571186408.db2.gz MGMGUIHCZMYSPE-QGZVFWFLSA-N 1 0 352.486 3.770 40 0 FHABRO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104806 571224147 /nfs/dbraw/zinc/22/41/47/571224147.db2.gz SXELTGKCEFUTEE-FPOVZHCZSA-N 1 0 370.537 3.738 40 0 FHABRO CC[C@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109680 571224945 /nfs/dbraw/zinc/22/49/45/571224945.db2.gz IFRIHVHWOUJJNP-NGXQKHRBSA-N 1 0 370.537 3.736 40 0 FHABRO Cc1cccc(Nc2cncc(C3CC[NH+](C[C@H]4CC=CCC4)CC3)n2)n1 ZINC000585176622 571237858 /nfs/dbraw/zinc/23/78/58/571237858.db2.gz AIGZRRCARNRZON-SFHVURJKSA-N 1 0 363.509 3.881 40 0 FHABRO CCOc1c(C[NH2+]CCCSc2nc(C)cc(C)n2)cccc1OC ZINC000006678436 571240360 /nfs/dbraw/zinc/24/03/60/571240360.db2.gz DLYPXAZGJUKSAI-UHFFFAOYSA-N 1 0 361.511 3.773 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 ZINC000247902110 571290902 /nfs/dbraw/zinc/29/09/02/571290902.db2.gz BEHBBQOBFMKGLB-HSQYWUDLSA-N 1 0 368.452 3.514 40 0 FHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000009063002 571302389 /nfs/dbraw/zinc/30/23/89/571302389.db2.gz QOURFIUZEAPMLU-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO Cc1ccc([C@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)c2cccnc2)cc1 ZINC000019136634 571303811 /nfs/dbraw/zinc/30/38/11/571303811.db2.gz DSPBPKLMHZTKCQ-GCJKJVERSA-N 1 0 351.494 3.860 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4ccccc4)[nH]n3)C2)s1 ZINC000019704287 571304535 /nfs/dbraw/zinc/30/45/35/571304535.db2.gz MBJNDXMGPFHYJO-OAHLLOKOSA-N 1 0 354.479 3.743 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCCCCN3C(C)=O)cc1OC(C)C ZINC000019712058 571304615 /nfs/dbraw/zinc/30/46/15/571304615.db2.gz IJJWQSNXFWALCD-UXHICEINSA-N 1 0 374.525 3.848 40 0 FHABRO C[C@]12CCN(Cc3cccc(Oc4ncccn4)c3)[C@H]1CCCCC[NH2+]2 ZINC000019713364 571304703 /nfs/dbraw/zinc/30/47/03/571304703.db2.gz MDOMPGQUPWDHFK-FPOVZHCZSA-N 1 0 352.482 3.766 40 0 FHABRO Cn1cc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCC[N@@H+]3C)cn1 ZINC000019713546 571304887 /nfs/dbraw/zinc/30/48/87/571304887.db2.gz GZVMEMXAHXTELX-ONTIZHBOSA-N 1 0 366.509 3.640 40 0 FHABRO [NH3+]C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000252514279 571319724 /nfs/dbraw/zinc/31/97/24/571319724.db2.gz BRRGQCIVCSWALV-PMPSAXMXSA-N 1 0 356.274 3.508 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1 ZINC000006629886 941153094 /nfs/dbraw/zinc/15/30/94/941153094.db2.gz ZSYBCPGTIBTQGZ-UHFFFAOYSA-N 1 0 359.470 3.794 40 0 FHABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000009063570 941406878 /nfs/dbraw/zinc/40/68/78/941406878.db2.gz HRFNUQSBGPAMIB-UHFFFAOYSA-N 1 0 372.440 3.694 40 0 FHABRO C[NH+](C)CCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(C2CC2)n1 ZINC000328984049 210129813 /nfs/dbraw/zinc/12/98/13/210129813.db2.gz HKCOEYYRARZHTM-UHFFFAOYSA-N 1 0 353.514 3.791 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3Cn4c(-c5ccccc5)cnc4C[C@@H]3C2)cc1 ZINC000306134160 210053376 /nfs/dbraw/zinc/05/33/76/210053376.db2.gz NEULACFYEOXMDG-WOJBJXKFSA-N 1 0 359.473 3.863 40 0 FHABRO O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@]12CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000306130921 210052023 /nfs/dbraw/zinc/05/20/23/210052023.db2.gz JSRXKNRKPKDAGD-AYBZRNKSSA-N 1 0 352.469 3.749 40 0 FHABRO c1csc(-c2cnc3n2C[C@@]2(CC[N@@H+](Cc4ccsc4)C2)OC3)c1 ZINC000306124571 210050146 /nfs/dbraw/zinc/05/01/46/210050146.db2.gz BTSNDIUTSMGAMG-SFHVURJKSA-N 1 0 357.504 3.848 40 0 FHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000040373373 210044819 /nfs/dbraw/zinc/04/48/19/210044819.db2.gz JNKGYBZKGHMWNG-WIYYLYMNSA-N 1 0 357.494 3.917 40 0 FHABRO CC(C)c1ccc(OCCOC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000040373356 210044151 /nfs/dbraw/zinc/04/41/51/210044151.db2.gz UQJGAVXCIYEZHU-JOCHJYFZSA-N 1 0 369.505 3.625 40 0 FHABRO COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000223198299 222768975 /nfs/dbraw/zinc/76/89/75/222768975.db2.gz VXHUOLNTCZFXJG-MRXNPFEDSA-N 1 0 368.477 3.791 40 0 FHABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Cl ZINC000224516999 222814975 /nfs/dbraw/zinc/81/49/75/222814975.db2.gz PQERVMNRPLRWRW-UHFFFAOYSA-N 1 0 358.869 3.874 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224675613 222818432 /nfs/dbraw/zinc/81/84/32/222818432.db2.gz ZPNJERDSBINBOM-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1cnc(Nc2nc(C)nc3c2CC[N@H+](Cc2ccccc2)CC3)s1 ZINC000257209884 223020580 /nfs/dbraw/zinc/02/05/80/223020580.db2.gz BSGRCSMJKBYBNH-UHFFFAOYSA-N 1 0 365.506 3.894 40 0 FHABRO Cn1cncc1-c1cncc(C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000257216473 223023829 /nfs/dbraw/zinc/02/38/29/223023829.db2.gz CUQHETSHMRJWPF-UHFFFAOYSA-N 1 0 372.476 3.738 40 0 FHABRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000006640855 219741922 /nfs/dbraw/zinc/74/19/22/219741922.db2.gz OSISLWGQAJWPLM-IIHSZXCVSA-N 1 0 355.906 3.511 40 0 FHABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257297410 223055048 /nfs/dbraw/zinc/05/50/48/223055048.db2.gz RHDMOWRKEJMYBG-QGZVFWFLSA-N 1 0 361.873 3.534 40 0 FHABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2ccccc2Cl)c1 ZINC000257298764 223057084 /nfs/dbraw/zinc/05/70/84/223057084.db2.gz RNFHCRPMTGWJJC-UHFFFAOYSA-N 1 0 368.868 3.517 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000089223461 212029910 /nfs/dbraw/zinc/02/99/10/212029910.db2.gz MQPWFPMDVIEVLT-HNNXBMFYSA-N 1 0 369.303 3.591 40 0 FHABRO O=C(CSCc1ccc(Cl)c(Cl)c1)NCCC[NH+]1CCCC1 ZINC000044900381 211804796 /nfs/dbraw/zinc/80/47/96/211804796.db2.gz MZDDLJZQOVKAEJ-UHFFFAOYSA-N 1 0 361.338 3.829 40 0 FHABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022513040 211353063 /nfs/dbraw/zinc/35/30/63/211353063.db2.gz DIBFEYJBEAVFAJ-MBOZVWFJSA-N 1 0 360.542 3.945 40 0 FHABRO COCc1c(C)onc1C(=O)Nc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000019718609 211252200 /nfs/dbraw/zinc/25/22/00/211252200.db2.gz FIZPXWSQOHIBSF-UHFFFAOYSA-N 1 0 357.454 3.614 40 0 FHABRO CC[C@@H](C[NH+]1CCOCC1)n1cncc1-c1[nH]c2ccc(C)cc2c1C ZINC000019719533 211250518 /nfs/dbraw/zinc/25/05/18/211250518.db2.gz VNUPLDOOTDZYIY-KRWDZBQOSA-N 1 0 352.482 3.932 40 0 FHABRO CCOc1cc(F)ccc1NC(=O)CC1CC[NH+](Cc2ccccn2)CC1 ZINC000019748294 211252866 /nfs/dbraw/zinc/25/28/66/211252866.db2.gz HZKVAOHOCGOJGX-UHFFFAOYSA-N 1 0 371.456 3.860 40 0 FHABRO COCCOc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019593698 211239384 /nfs/dbraw/zinc/23/93/84/211239384.db2.gz IPAVJOFGQBODKJ-GOSISDBHSA-N 1 0 365.477 3.968 40 0 FHABRO CC(C)(C)[C@H]1CCc2onc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2C1 ZINC000019715625 211249981 /nfs/dbraw/zinc/24/99/81/211249981.db2.gz FBPKUELOFYCLFN-HNNXBMFYSA-N 1 0 359.514 3.526 40 0 FHABRO CC[NH+](CC)Cc1ccccc1NC(=O)c1cc(C)nc2c1c(C)nn2C ZINC000019716327 211249058 /nfs/dbraw/zinc/24/90/58/211249058.db2.gz BUGGHXBBCNTGJF-UHFFFAOYSA-N 1 0 365.481 3.679 40 0 FHABRO NC(=O)c1[nH]c([C@H]2CCC[N@H+](CCc3ccccc3)C2)nc1-c1ccccc1 ZINC000019698971 211247583 /nfs/dbraw/zinc/24/75/83/211247583.db2.gz UITZJFORXFMDGY-IBGZPJMESA-N 1 0 374.488 3.598 40 0 FHABRO CC(C)(CNC(=O)c1cc(-n2cccn2)ccc1Cl)[NH+]1CCCCC1 ZINC000019713977 211246743 /nfs/dbraw/zinc/24/67/43/211246743.db2.gz BAUUFYDBJXWSBZ-UHFFFAOYSA-N 1 0 360.889 3.520 40 0 FHABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000019694546 211246365 /nfs/dbraw/zinc/24/63/65/211246365.db2.gz DNABPEMDGRJQCV-SFHVURJKSA-N 1 0 366.509 3.808 40 0 FHABRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1 ZINC000019663385 211245143 /nfs/dbraw/zinc/24/51/43/211245143.db2.gz GJYXTDRLPDTDKE-SFHVURJKSA-N 1 0 368.868 3.763 40 0 FHABRO C[C@@H](CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC000019455564 211222754 /nfs/dbraw/zinc/22/27/54/211222754.db2.gz PKNNMMVNPNQCHV-ZWKOTPCHSA-N 1 0 362.489 3.708 40 0 FHABRO COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1 ZINC000019551533 211231270 /nfs/dbraw/zinc/23/12/70/211231270.db2.gz FPKATSSZPDMEBI-MRXNPFEDSA-N 1 0 351.450 3.960 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1 ZINC000019555055 211230890 /nfs/dbraw/zinc/23/08/90/211230890.db2.gz DOKQWLWTPZNSDV-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nn(C)c3ncccc23)C1 ZINC000019520174 211226934 /nfs/dbraw/zinc/22/69/34/211226934.db2.gz HQWVIHUPBZGVGY-KRWDZBQOSA-N 1 0 350.466 3.747 40 0 FHABRO COc1ccc(C[N@@H+](Cc2ccc3ccccc3n2)C[C@@H](C)O)cc1OC ZINC000019456001 211224519 /nfs/dbraw/zinc/22/45/19/211224519.db2.gz PPPZPCFNJKUAEN-MRXNPFEDSA-N 1 0 366.461 3.635 40 0 FHABRO Cc1ccccc1CN(Cc1cnc(N)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000019237145 211210313 /nfs/dbraw/zinc/21/03/13/211210313.db2.gz CYXIOTVEXWZIAE-UHFFFAOYSA-N 1 0 367.541 3.679 40 0 FHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccs1 ZINC000019238587 211209714 /nfs/dbraw/zinc/20/97/14/211209714.db2.gz JYKZYBCUHHIHDC-UHFFFAOYSA-N 1 0 350.553 3.843 40 0 FHABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccc(F)cc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236383 211209178 /nfs/dbraw/zinc/20/91/78/211209178.db2.gz BZIDNGFEIDVVGX-SIKLNZKXSA-N 1 0 367.468 3.558 40 0 FHABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1)[C@@H]1CCCO1 ZINC000019369199 211219344 /nfs/dbraw/zinc/21/93/44/211219344.db2.gz LELXOLLQAHEFQB-VXKWHMMOSA-N 1 0 370.537 3.720 40 0 FHABRO O=C(CCc1ccccc1)N1C[C@@H]2CCCC[N@H+](Cc3cccnc3)[C@@H]2C1 ZINC000019370883 211218868 /nfs/dbraw/zinc/21/88/68/211218868.db2.gz CBYJZEMJVAKPOW-FCHUYYIVSA-N 1 0 363.505 3.527 40 0 FHABRO O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019368328 211217757 /nfs/dbraw/zinc/21/77/57/211217757.db2.gz YQSCSQOWHOTZAJ-INIZCTEOSA-N 1 0 371.456 3.961 40 0 FHABRO Clc1ccc(C[NH+]2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019333915 211215650 /nfs/dbraw/zinc/21/56/50/211215650.db2.gz PAIOQJMXBNUFRB-UHFFFAOYSA-N 1 0 355.829 3.560 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019081991 211201270 /nfs/dbraw/zinc/20/12/70/211201270.db2.gz CTSCWYPRJHWGPV-QUCCMNQESA-N 1 0 366.509 3.592 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019081985 211200994 /nfs/dbraw/zinc/20/09/94/211200994.db2.gz WTBFKTLBPMKSLY-UYAOXDASSA-N 1 0 366.509 3.592 40 0 FHABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1cccc(C)n1 ZINC000019236325 211208300 /nfs/dbraw/zinc/20/83/00/211208300.db2.gz DZAOSZIEWRNXOZ-YPAWHYETSA-N 1 0 367.468 3.508 40 0 FHABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cccc(OC(C)C)c4)C[C@@H]32)nc1 ZINC000019216132 211206907 /nfs/dbraw/zinc/20/69/07/211206907.db2.gz CORQHGVQILMBFE-UNWVZKJWSA-N 1 0 366.505 3.907 40 0 FHABRO COc1c(C)cccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccc(C)cn1 ZINC000019215719 211206011 /nfs/dbraw/zinc/20/60/11/211206011.db2.gz MZSNMLADQAEVTJ-DETIRCLXSA-N 1 0 366.505 3.827 40 0 FHABRO CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000015140033 211124053 /nfs/dbraw/zinc/12/40/53/211124053.db2.gz LUOQMZJGQVZHOO-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000019462591 220261797 /nfs/dbraw/zinc/26/17/97/220261797.db2.gz NQPZJKOBDPBIBW-SOLBZPMBSA-N 1 0 368.525 3.767 40 0 FHABRO O=C(CSCc1c(F)cccc1Cl)NCCC[NH+]1CCCCC1 ZINC000013669496 211047389 /nfs/dbraw/zinc/04/73/89/211047389.db2.gz KMVSCEVAISJCOG-UHFFFAOYSA-N 1 0 358.910 3.705 40 0 FHABRO Cc1cc2oc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc(=O)c2cc1C ZINC000012205114 210929550 /nfs/dbraw/zinc/92/95/50/210929550.db2.gz VIAKKOUCRUKDOC-GASCZTMLSA-N 1 0 370.493 3.508 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000067801313 221287247 /nfs/dbraw/zinc/28/72/47/221287247.db2.gz WLTNTLZNFINQER-OAHLLOKOSA-N 1 0 369.303 3.938 40 0 FHABRO Cn1cc(C[NH2+][C@H]2CC3(CCN(c4cccnc4)CC3)c3ccccc32)cn1 ZINC000096079020 132218425 /nfs/dbraw/zinc/21/84/25/132218425.db2.gz VRJBLGSGVDSUKJ-QFIPXVFZSA-N 1 0 373.504 3.588 40 0 FHABRO CC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)s3)n2)CC1 ZINC000072337388 136144600 /nfs/dbraw/zinc/14/46/00/136144600.db2.gz YRHOHSUMEDFPJA-UHFFFAOYSA-N 1 0 369.494 3.619 40 0 FHABRO COc1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CC[C@@H]2OCC2CC2)cc1 ZINC000096110618 222027661 /nfs/dbraw/zinc/02/76/61/222027661.db2.gz HSUGCFNRWYWJQA-UGKGYDQZSA-N 1 0 359.510 3.534 40 0 FHABRO Cc1ncsc1C[N@@H+]1C[C@H]2CCC[C@@]2(COCc2cccc(C)n2)C1 ZINC000096109300 222028346 /nfs/dbraw/zinc/02/83/46/222028346.db2.gz UKAWZHMLXFDNLY-XLIONFOSSA-N 1 0 357.523 3.974 40 0 FHABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2cnc3ccccc3c2)COC1 ZINC000096112720 222028969 /nfs/dbraw/zinc/02/89/69/222028969.db2.gz WFBQXILUFCNPAQ-KRWDZBQOSA-N 1 0 362.408 3.585 40 0 biogenic,in-vitro FHABRO Cc1ccc(C[N@@H+]2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)s1 ZINC000096052256 222003289 /nfs/dbraw/zinc/00/32/89/222003289.db2.gz NSGYEQMYCRFHSG-IBGZPJMESA-N 1 0 370.518 3.924 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096052574 222003581 /nfs/dbraw/zinc/00/35/81/222003581.db2.gz HKYDUQSLJKYKTI-QGZVFWFLSA-N 1 0 352.478 3.745 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC[C@@H]3NC(=O)c3ccn(C)c3)CC2)s1 ZINC000096051696 222003654 /nfs/dbraw/zinc/00/36/54/222003654.db2.gz XIGJNUXPMPKGDF-SFHVURJKSA-N 1 0 357.523 3.570 40 0 FHABRO Cc1ccccc1C[N@@H+]1CCC[C@]12CCCN(C(=O)c1cscn1)C2 ZINC000096071333 222012696 /nfs/dbraw/zinc/01/26/96/222012696.db2.gz JXIDFLMTHTZPRZ-FQEVSTJZSA-N 1 0 355.507 3.722 40 0 FHABRO O=C(N[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccc[nH]1 ZINC000096079848 222017167 /nfs/dbraw/zinc/01/71/67/222017167.db2.gz JPQOYLYQYJFTKE-LJQANCHMSA-N 1 0 365.477 3.513 40 0 FHABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096239577 222094358 /nfs/dbraw/zinc/09/43/58/222094358.db2.gz QKWMQDSSHPCFBK-FQEVSTJZSA-N 1 0 373.447 3.828 40 0 FHABRO COc1ccc(NC(=O)[C@@H]2CC3(CC[NH+](C)CC3)c3ccccc32)cc1 ZINC000096241653 222097424 /nfs/dbraw/zinc/09/74/24/222097424.db2.gz CORXAYFUBNYPLZ-LJQANCHMSA-N 1 0 350.462 3.785 40 0 FHABRO Cc1occc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096158378 222058923 /nfs/dbraw/zinc/05/89/23/222058923.db2.gz HVHTZUTUUMLRIG-UHFFFAOYSA-N 1 0 353.466 3.501 40 0 FHABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@@H+]1CC1CC1 ZINC000096207497 222075965 /nfs/dbraw/zinc/07/59/65/222075965.db2.gz JDYNFKAPEIPBCC-FQEVSTJZSA-N 1 0 356.510 3.572 40 0 FHABRO c1ccc2nc(C[NH+]3CCC4(C[C@@H](OCC5CC5)CO4)CC3)ccc2c1 ZINC000096205999 222077157 /nfs/dbraw/zinc/07/71/57/222077157.db2.gz DESUUDVVJMVKCB-HXUWFJFHSA-N 1 0 352.478 3.785 40 0 FHABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2cccc(C)n2)CC3)c1 ZINC000096221415 222084860 /nfs/dbraw/zinc/08/48/60/222084860.db2.gz CBWIEYDBVIOAIP-HXUWFJFHSA-N 1 0 367.493 3.634 40 0 FHABRO CCOc1cc(C[NH2+]C(C)(C)CC(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000007520823 263351774 /nfs/dbraw/zinc/35/17/74/263351774.db2.gz AMGDGVUUGMGCRL-UHFFFAOYSA-N 1 0 370.921 3.907 40 0 FHABRO Cc1cc(-c2cnc(NCC[NH+]3CCCC3)nc2-c2ccc(C)o2)on1 ZINC000012186466 263369785 /nfs/dbraw/zinc/36/97/85/263369785.db2.gz ZLLKCCJUCUPMPO-UHFFFAOYSA-N 1 0 353.426 3.516 40 0 FHABRO CC[C@H](C)NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241776 263378532 /nfs/dbraw/zinc/37/85/32/263378532.db2.gz LBMIIHJMILENIC-IBGZPJMESA-N 1 0 365.521 3.533 40 0 FHABRO c1ncc(C[NH+]2CCC(Cc3cc(Nc4ccccn4)ncn3)CC2)s1 ZINC000257241349 534542852 /nfs/dbraw/zinc/54/28/52/534542852.db2.gz HXTAKUIRZSBQEL-UHFFFAOYSA-N 1 0 366.494 3.526 40 0 FHABRO CC(C)c1cc(C(=O)N2CCC[C@H]2c2nccc(C[NH+](C)C)n2)cs1 ZINC000257258018 528020656 /nfs/dbraw/zinc/02/06/56/528020656.db2.gz KSBFDIMPSHXPOK-INIZCTEOSA-N 1 0 358.511 3.700 40 0 FHABRO CCCOc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCC[C@H]3O2)cc1C[NH+](C)C ZINC000257343585 528726209 /nfs/dbraw/zinc/72/62/09/528726209.db2.gz ZTOXLDMNVZFUTJ-YVNJGZBMSA-N 1 0 374.525 3.672 40 0 FHABRO CCNc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328997264 535522699 /nfs/dbraw/zinc/52/26/99/535522699.db2.gz JNHMPYLNWBKJRJ-UHFFFAOYSA-N 1 0 352.482 3.576 40 0 FHABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)C(F)(F)F ZINC000057316814 568296417 /nfs/dbraw/zinc/29/64/17/568296417.db2.gz VARJSMFIOWPYLN-UHFFFAOYSA-N 1 0 363.383 3.510 40 0 FHABRO C[NH+]1CCC(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)CC1 ZINC000219776224 568303516 /nfs/dbraw/zinc/30/35/16/568303516.db2.gz UBKFVQZAKXEMEG-UHFFFAOYSA-N 1 0 358.869 3.743 40 0 FHABRO COC(=O)c1cn(C(=O)c2ccc(C[NH+]3CCCC3)cc2)c2ccccc12 ZINC000222602466 568544160 /nfs/dbraw/zinc/54/41/60/568544160.db2.gz MTXIXVLJWIVGPR-UHFFFAOYSA-N 1 0 362.429 3.712 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(c2ccccc2)CCOCC1 ZINC000222723585 568556988 /nfs/dbraw/zinc/55/69/88/568556988.db2.gz DLKASNGMTPHLJJ-HXUWFJFHSA-N 1 0 358.526 3.506 40 0 FHABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1cccc2ccccc21 ZINC000026439248 568653892 /nfs/dbraw/zinc/65/38/92/568653892.db2.gz CGOCNQOZTZPDOV-UHFFFAOYSA-N 1 0 351.494 3.729 40 0 FHABRO O=C(CN1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000026439256 568654034 /nfs/dbraw/zinc/65/40/34/568654034.db2.gz SNJOOSOPAWMPIP-UHFFFAOYSA-N 1 0 369.431 3.594 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(c4ccsc4)C3=O)C2)cc1 ZINC000096048744 570474294 /nfs/dbraw/zinc/47/42/94/570474294.db2.gz VPVSLOVRFGSBBG-FQEVSTJZSA-N 1 0 356.491 3.776 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)s1 ZINC000096048795 570474548 /nfs/dbraw/zinc/47/45/48/570474548.db2.gz XZYSRVGFOWHWTN-OAQYLSRUSA-N 1 0 369.534 3.775 40 0 FHABRO c1nc(Nc2cncc(C[C@H]3CCC[NH2+]CC3)n2)sc1-c1ccccc1 ZINC000585263027 570481576 /nfs/dbraw/zinc/48/15/76/570481576.db2.gz HXKMEOWDWKSBOQ-HNNXBMFYSA-N 1 0 365.506 3.698 40 0 FHABRO O=C(Nc1nc([C@H]2CCC[NH2+]2)cs1)c1ccc(Br)cc1 ZINC000585266503 570482573 /nfs/dbraw/zinc/48/25/73/570482573.db2.gz AORMVLHBHKPNDW-LLVKDONJSA-N 1 0 352.257 3.582 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585290006 570495570 /nfs/dbraw/zinc/49/55/70/570495570.db2.gz PKYCIGFHTGBZKM-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)cc1 ZINC000585288598 570496337 /nfs/dbraw/zinc/49/63/37/570496337.db2.gz FLYYENZZNNQTGZ-XUVXKRRUSA-N 1 0 361.869 3.799 40 0 FHABRO Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345970 570538064 /nfs/dbraw/zinc/53/80/64/570538064.db2.gz JPHDDEAOKQYZHE-INIZCTEOSA-N 1 0 363.440 3.640 40 0 FHABRO COc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933203 570539280 /nfs/dbraw/zinc/53/92/80/570539280.db2.gz CQWZUCZOPYPKQP-LPHOPBHVSA-N 1 0 370.468 3.924 40 0 FHABRO CC(=O)c1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004184468 570580321 /nfs/dbraw/zinc/58/03/21/570580321.db2.gz FXFKJRUFWJBJDJ-JOCHJYFZSA-N 1 0 367.489 3.584 40 0 FHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000035316991 570642332 /nfs/dbraw/zinc/64/23/32/570642332.db2.gz PINLRNDIDIVGDW-UHFFFAOYSA-N 1 0 361.873 3.989 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)c(C)c1C ZINC000006382284 570646343 /nfs/dbraw/zinc/64/63/43/570646343.db2.gz HUVRSIKOCHSJIY-QHCPKHFHSA-N 1 0 369.505 3.733 40 0 FHABRO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1 ZINC000007447627 570664131 /nfs/dbraw/zinc/66/41/31/570664131.db2.gz SVVIETRAZPUGKY-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO O=C(COc1ccccc1F)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000007447881 570664619 /nfs/dbraw/zinc/66/46/19/570664619.db2.gz WGJMBDMEXDPBRK-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO COc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccco2)c1 ZINC000004883350 570672323 /nfs/dbraw/zinc/67/23/23/570672323.db2.gz FHNPRHRFEKDWLJ-AYHJJNSGSA-N 1 0 369.465 3.995 40 0 FHABRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000007849966 570674386 /nfs/dbraw/zinc/67/43/86/570674386.db2.gz IRWAHONXGYVGDQ-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO CC1CC[NH+](CCCNC(=S)Nc2cccc(Br)c2)CC1 ZINC000008110702 570677540 /nfs/dbraw/zinc/67/75/40/570677540.db2.gz HVBFGUADJPFCIS-UHFFFAOYSA-N 1 0 370.360 3.858 40 0 FHABRO O[C@@H]1CC[N@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)[C@H]2CCCC[C@H]12 ZINC000036741428 570698291 /nfs/dbraw/zinc/69/82/91/570698291.db2.gz UHNBMDICIJZVPS-KANFNMMFSA-N 1 0 355.482 3.540 40 0 FHABRO CCn1c2ccccc2c2cc(C[N@@H+]3CCc4nc(C)[nH]c(=O)c4C3)ccc21 ZINC000012117854 570720094 /nfs/dbraw/zinc/72/00/94/570720094.db2.gz AKHVLNUZDHDWIE-UHFFFAOYSA-N 1 0 372.472 3.764 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000012133643 570720638 /nfs/dbraw/zinc/72/06/38/570720638.db2.gz UAAJTKDXVKSODU-QGZVFWFLSA-N 1 0 372.538 3.654 40 0 FHABRO C[C@@H]1Cc2cc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 ZINC000012135207 570721211 /nfs/dbraw/zinc/72/12/11/570721211.db2.gz GTPPEZDUZPHZMZ-WHPUMZMWSA-N 1 0 364.489 3.525 40 0 FHABRO CCOC(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2ccncc2)CC1 ZINC000012144045 570722104 /nfs/dbraw/zinc/72/21/04/570722104.db2.gz NKCVUOJZRDVGIO-UHFFFAOYSA-N 1 0 359.857 3.686 40 0 FHABRO Cc1ccc(C[N@H+](Cc2cccn2-c2ccc(C)cn2)C[C@@H](C)O)s1 ZINC000012147976 570723121 /nfs/dbraw/zinc/72/31/21/570723121.db2.gz QBYMVZVVJJSUQW-MRXNPFEDSA-N 1 0 355.507 3.934 40 0 FHABRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)CSc2nccc3ccccc32)C1 ZINC000012148561 570723497 /nfs/dbraw/zinc/72/34/97/570723497.db2.gz NOHCKYNWPQTKGP-INIZCTEOSA-N 1 0 357.523 3.564 40 0 FHABRO C[C@@H]1Cc2cc(C[NH2+]Cc3cc(-c4ccc(F)cc4)c[nH]c3=O)ccc2O1 ZINC000012187376 570724800 /nfs/dbraw/zinc/72/48/00/570724800.db2.gz MDDVRLORFDCGBB-CQSZACIVSA-N 1 0 364.420 3.794 40 0 FHABRO CC(C)c1[nH]c2ncccc2c1C[NH+]1CCC(O)(c2cccnc2)CC1 ZINC000012220340 570728475 /nfs/dbraw/zinc/72/84/75/570728475.db2.gz IBIVUWZFTBORPD-UHFFFAOYSA-N 1 0 350.466 3.565 40 0 FHABRO CCOC(=O)C1(Cc2cc(-c3cccc(F)c3)no2)CC[NH+](CC)CC1 ZINC000012274950 570731847 /nfs/dbraw/zinc/73/18/47/570731847.db2.gz XJWUQPKQDSPQNN-UHFFFAOYSA-N 1 0 360.429 3.688 40 0 FHABRO CSc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012667483 570756322 /nfs/dbraw/zinc/75/63/22/570756322.db2.gz DSWBONLFJHBUBU-MRXNPFEDSA-N 1 0 367.522 3.721 40 0 FHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000006548448 570783391 /nfs/dbraw/zinc/78/33/91/570783391.db2.gz NZEYCTJBYNLILG-UHFFFAOYSA-N 1 0 353.491 3.799 40 0 FHABRO COCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008469080 570795855 /nfs/dbraw/zinc/79/58/55/570795855.db2.gz JLMDLEWNIGHJSN-UHFFFAOYSA-N 1 0 353.821 3.803 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024114649 570972132 /nfs/dbraw/zinc/97/21/32/570972132.db2.gz XCWYZDMDPYBUTB-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO CC[C@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114409 570972315 /nfs/dbraw/zinc/97/23/15/570972315.db2.gz QMVMGIKTHPGYLJ-NRFANRHFSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189390 570972788 /nfs/dbraw/zinc/97/27/88/570972788.db2.gz KSSVDTLGGBDDGA-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000224552711 570992657 /nfs/dbraw/zinc/99/26/57/570992657.db2.gz WDPBYIWSFQPXOL-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2F)CC1)c1ccccc1 ZINC000224551186 570992765 /nfs/dbraw/zinc/99/27/65/570992765.db2.gz PLWLAAUILPGLOJ-KRWDZBQOSA-N 1 0 354.469 3.958 40 0 FHABRO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224597608 570994053 /nfs/dbraw/zinc/99/40/53/570994053.db2.gz CIWCFCPWYUAHJV-INIZCTEOSA-N 1 0 370.468 3.924 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224670737 570997089 /nfs/dbraw/zinc/99/70/89/570997089.db2.gz GMDXUHVRWYLPFS-KRWDZBQOSA-N 1 0 370.468 3.895 40 0 FHABRO CC(C)Oc1ccccc1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224792363 571000836 /nfs/dbraw/zinc/00/08/36/571000836.db2.gz ZYUHOMOXFDMVTF-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224990406 571009385 /nfs/dbraw/zinc/00/93/85/571009385.db2.gz AYCYBCUALMGSGP-HUUCEWRRSA-N 1 0 352.906 3.592 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225073947 571013720 /nfs/dbraw/zinc/01/37/20/571013720.db2.gz MXLBEOPANJWELN-VXGBXAGGSA-N 1 0 373.722 3.810 40 0 FHABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000225219115 571022399 /nfs/dbraw/zinc/02/23/99/571022399.db2.gz QZKSHWNUKLRDCX-OAQYLSRUSA-N 1 0 358.526 3.715 40 0 FHABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000030556139 571048045 /nfs/dbraw/zinc/04/80/45/571048045.db2.gz KPLIUQZULFTERG-OAQYLSRUSA-N 1 0 352.478 3.756 40 0 FHABRO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225692429 571056279 /nfs/dbraw/zinc/05/62/79/571056279.db2.gz ALYSUBABTDWLPE-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225699452 571056793 /nfs/dbraw/zinc/05/67/93/571056793.db2.gz DSZWFNUMERBJQO-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO O=C(CSCc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462835 571057798 /nfs/dbraw/zinc/05/77/98/571057798.db2.gz RMNRJZBSDOHLSS-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO COc1ccccc1NC(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225769951 571063967 /nfs/dbraw/zinc/06/39/67/571063967.db2.gz ZYTSFEMOFWCULJ-UHFFFAOYSA-N 1 0 355.438 3.812 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225813540 571069303 /nfs/dbraw/zinc/06/93/03/571069303.db2.gz DLVIPRLTFXCAKK-INIZCTEOSA-N 1 0 372.431 3.855 40 0 FHABRO Cc1nc2sccn2c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000036740123 571081378 /nfs/dbraw/zinc/08/13/78/571081378.db2.gz YUKHSZMRBPBAKK-OALUTQOASA-N 1 0 366.534 3.596 40 0 FHABRO Cc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872827 571103548 /nfs/dbraw/zinc/10/35/48/571103548.db2.gz IAXFSOQZQRXFCJ-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044933199 571105004 /nfs/dbraw/zinc/10/50/04/571105004.db2.gz CQWZUCZOPYPKQP-QFBILLFUSA-N 1 0 370.468 3.924 40 0 FHABRO c1nc(Nc2cc(C[C@H]3C[NH2+]CCOC3)ccn2)sc1-c1ccccc1 ZINC000585263245 571125437 /nfs/dbraw/zinc/12/54/37/571125437.db2.gz RWZDNNJIFUINQI-INIZCTEOSA-N 1 0 366.490 3.727 40 0 FHABRO CCCc1ncc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340449 571179170 /nfs/dbraw/zinc/17/91/70/571179170.db2.gz AOMHEQYOLXBIKC-WEYGHZABSA-N 1 0 369.484 3.688 40 0 FHABRO CCc1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350545 571181646 /nfs/dbraw/zinc/18/16/46/571181646.db2.gz CZRIIIKNHOJOKC-IBGZPJMESA-N 1 0 361.493 3.647 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072350128 571181748 /nfs/dbraw/zinc/18/17/48/571181748.db2.gz AUOIKTKQBVCZQQ-KRWDZBQOSA-N 1 0 371.912 3.593 40 0 FHABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cnn1C ZINC000072353081 571181970 /nfs/dbraw/zinc/18/19/70/571181970.db2.gz NWWJANNLCYBHJW-HXUWFJFHSA-N 1 0 362.481 3.908 40 0 FHABRO Cc1nc(-c2cncnc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)no1 ZINC000072356141 571182800 /nfs/dbraw/zinc/18/28/00/571182800.db2.gz TXPWXSDWKRSUOV-GOSISDBHSA-N 1 0 363.465 3.647 40 0 FHABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccn3)C2)c1 ZINC000072358617 571183650 /nfs/dbraw/zinc/18/36/50/571183650.db2.gz GBJJGZLSGLXKLZ-GOSISDBHSA-N 1 0 360.461 3.927 40 0 FHABRO Cc1cc(Nc2ccccn2)nc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072359986 571184165 /nfs/dbraw/zinc/18/41/65/571184165.db2.gz XLSYPWKYYWBLLZ-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)c(C(C)(C)C)c1 ZINC000027531059 571184768 /nfs/dbraw/zinc/18/47/68/571184768.db2.gz IKQSZGYUGSPOJM-FQEVSTJZSA-N 1 0 371.521 3.527 40 0 FHABRO Cc1cc(Nc2cccc(C3CC[NH+](Cc4cnn(C)c4C)CC3)n2)no1 ZINC000072376159 571185705 /nfs/dbraw/zinc/18/57/05/571185705.db2.gz IRJJWZZKUZAYCG-UHFFFAOYSA-N 1 0 366.469 3.543 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392815 571190206 /nfs/dbraw/zinc/19/02/06/571190206.db2.gz LCRWZKLEARXQPS-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO CN(C)Cc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C ZINC000257257911 571204550 /nfs/dbraw/zinc/20/45/50/571204550.db2.gz KRPCGJGUTDFNKL-FHWLQOOXSA-N 1 0 372.557 3.570 40 0 FHABRO c1csc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306123053 571212839 /nfs/dbraw/zinc/21/28/39/571212839.db2.gz ADMHQNACDXMBAO-QGZVFWFLSA-N 1 0 361.474 3.842 40 0 FHABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585102219 571222456 /nfs/dbraw/zinc/22/24/56/571222456.db2.gz ULWIPTDSVMSXMI-VGSWGCGISA-N 1 0 374.525 3.745 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)co1 ZINC000585105548 571223666 /nfs/dbraw/zinc/22/36/66/571223666.db2.gz ZKDLIZUYRIBATC-FQEVSTJZSA-N 1 0 356.466 3.653 40 0 FHABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000585109847 571225157 /nfs/dbraw/zinc/22/51/57/571225157.db2.gz ZYYIHKGVTFJUNV-JAXLGGSGSA-N 1 0 373.456 3.683 40 0 FHABRO c1c[nH]c(-c2cc(C[C@H]3CCC[N@H+](Cc4ccc5cc[nH]c5c4)C3)ncn2)n1 ZINC000585182532 571238123 /nfs/dbraw/zinc/23/81/23/571238123.db2.gz FJYXYLDXQSVDRH-MRXNPFEDSA-N 1 0 372.476 3.803 40 0 FHABRO COc1ccc(Cl)cc1C(=O)N1CC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238864399 571281741 /nfs/dbraw/zinc/28/17/41/571281741.db2.gz LKVCESYFNUNTFH-SFHVURJKSA-N 1 0 370.880 3.621 40 0 FHABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CC1 ZINC000019348937 571303817 /nfs/dbraw/zinc/30/38/17/571303817.db2.gz YKWLJDCNBGOAHX-WIYYLYMNSA-N 1 0 367.468 3.700 40 0 FHABRO C[C@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456789 571303952 /nfs/dbraw/zinc/30/39/52/571303952.db2.gz CCWNOGYVXNWTQL-ZHRRBRCNSA-N 1 0 352.453 3.577 40 0 FHABRO Cc1ccc(C(=O)N2CCCCC[C@H]3[NH2+][C@H](Cc4ccccc4)C[C@@H]32)cn1 ZINC000019712978 571304679 /nfs/dbraw/zinc/30/46/79/571304679.db2.gz JIFPEWVZRJVWLU-VSKRKVRLSA-N 1 0 363.505 3.748 40 0 FHABRO CCN(C(=O)C(C)C)[C@H]1C[C@@H](c2ccccc2)OC2(CC[NH+](C)CC2)C1 ZINC000019712760 571304710 /nfs/dbraw/zinc/30/47/10/571304710.db2.gz OVSVTLSEXGGKIT-PMACEKPBSA-N 1 0 358.526 3.876 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1 ZINC000006629887 941153006 /nfs/dbraw/zinc/15/30/06/941153006.db2.gz PJCZCCQBNVUOCT-UHFFFAOYSA-N 1 0 371.506 3.664 40 0 FHABRO Cc1cc(F)ccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000328991947 210129702 /nfs/dbraw/zinc/12/97/02/210129702.db2.gz ITJZNWRCRXMQSK-UHFFFAOYSA-N 1 0 365.456 3.730 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)cc1 ZINC000306140705 210057034 /nfs/dbraw/zinc/05/70/34/210057034.db2.gz VBKMQAQLEJQTML-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO Fc1ccc(C[N@@H+]2C[C@@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306133503 210053623 /nfs/dbraw/zinc/05/36/23/210053623.db2.gz MNHVZYJNBPGKFF-PZJWPPBQSA-N 1 0 374.463 4.000 40 0 FHABRO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3ccco3)CC2)S1(=O)=O ZINC000306133240 210053449 /nfs/dbraw/zinc/05/34/49/210053449.db2.gz MGIUGGFSJUMVHB-UHFFFAOYSA-N 1 0 374.506 3.577 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306132422 210054627 /nfs/dbraw/zinc/05/46/27/210054627.db2.gz LIDAXTKCRXMPSD-LJQANCHMSA-N 1 0 373.435 3.920 40 0 FHABRO CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222863333 222754116 /nfs/dbraw/zinc/75/41/16/222754116.db2.gz DJPCNLXNFXNPAH-OALUTQOASA-N 1 0 363.490 3.650 40 0 FHABRO O=C(COc1ccc(F)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696285 222817825 /nfs/dbraw/zinc/81/78/25/222817825.db2.gz XVYVCJGLEALFAJ-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO COc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)c1 ZINC000225486719 222844847 /nfs/dbraw/zinc/84/48/47/222844847.db2.gz SFDUWZJEXLZKIT-KRWDZBQOSA-N 1 0 356.397 3.565 40 0 biogenic,in-vitro FHABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594804 222852882 /nfs/dbraw/zinc/85/28/82/222852882.db2.gz IKSQOQUZBKXMSL-UHFFFAOYSA-N 1 0 371.319 3.909 40 0 FHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225650388 222857934 /nfs/dbraw/zinc/85/79/34/222857934.db2.gz BFBBFILPLDMGKM-DYESRHJHSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225723423 222864084 /nfs/dbraw/zinc/86/40/84/222864084.db2.gz FOPZTXGGECWUEX-QFIPXVFZSA-N 1 0 374.525 3.941 40 0 FHABRO Cc1ncsc1C[N@H+]1CCC[C@H](c2cccc(-c3cncn3C)n2)C1 ZINC000257206888 223018695 /nfs/dbraw/zinc/01/86/95/223018695.db2.gz BFILSKSXRUAUTI-HNNXBMFYSA-N 1 0 353.495 3.627 40 0 FHABRO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4cn(C)cn4)C3)ccn2)n1 ZINC000257222962 223026901 /nfs/dbraw/zinc/02/69/01/223026901.db2.gz DVHMWZFMCSGWSL-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(Cc4ncc[nH]4)CC3)c2)n1 ZINC000257246426 223035587 /nfs/dbraw/zinc/03/55/87/223035587.db2.gz IUBLWIZFHYCVLQ-UHFFFAOYSA-N 1 0 362.481 3.940 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 ZINC000257257267 223039667 /nfs/dbraw/zinc/03/96/67/223039667.db2.gz KOVCXWTZWXMSJY-SFHVURJKSA-N 1 0 373.884 3.678 40 0 FHABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257254354 223039130 /nfs/dbraw/zinc/03/91/30/223039130.db2.gz KCRUKJSUGXUECT-INIZCTEOSA-N 1 0 351.429 3.694 40 0 FHABRO C[C@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](Cc2cnccn2)C1 ZINC000257288904 223052470 /nfs/dbraw/zinc/05/24/70/223052470.db2.gz PWDYDRDACASADI-NRFANRHFSA-N 1 0 366.440 3.748 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)nc1 ZINC000257318912 223064300 /nfs/dbraw/zinc/06/43/00/223064300.db2.gz VPYCXBQLSHAOLA-GOSISDBHSA-N 1 0 363.465 3.831 40 0 FHABRO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4ccc5cc[nH]c5c4)C3)n2)n1 ZINC000257322768 223065852 /nfs/dbraw/zinc/06/58/52/223065852.db2.gz WHIJFJAYSRFRRR-MRXNPFEDSA-N 1 0 372.476 3.803 40 0 FHABRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000257343752 223073681 /nfs/dbraw/zinc/07/36/81/223073681.db2.gz ZUGRSVJKTVIBIP-IBGZPJMESA-N 1 0 362.481 3.908 40 0 FHABRO Cc1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3c[nH]c4ccccc34)n2)c1 ZINC000015674381 220158858 /nfs/dbraw/zinc/15/88/58/220158858.db2.gz SVWBGUMIULGFEO-XLIONFOSSA-N 1 0 374.444 3.834 40 0 biogenic,in-vitro FHABRO CC(C)c1noc([C@@H]2C[C@@H](O)CN2Cc2ccc(-c3ccccn3)cc2)n1 ZINC000015674765 220159795 /nfs/dbraw/zinc/15/97/95/220159795.db2.gz SGSIYZPDNYLIJM-MJGOQNOKSA-N 1 0 364.449 3.563 40 0 biogenic,in-vitro FHABRO Brc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000022860876 211367678 /nfs/dbraw/zinc/36/76/78/211367678.db2.gz RYOUYIJYULFNQK-KSZLIROESA-N 1 0 361.327 3.779 40 0 FHABRO Fc1ccc(-c2nc3sc4ccccc4n3c2CN2CC[NH2+]CC2)cc1 ZINC000022465068 211350736 /nfs/dbraw/zinc/35/07/36/211350736.db2.gz JYZACLHTBPWMNJ-UHFFFAOYSA-N 1 0 366.465 3.760 40 0 FHABRO COC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020049278 211266555 /nfs/dbraw/zinc/26/65/55/211266555.db2.gz JCBYODVPPUJABC-UHFFFAOYSA-N 1 0 366.461 3.957 40 0 FHABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 ZINC000020038972 211265967 /nfs/dbraw/zinc/26/59/67/211265967.db2.gz WXYZJXTZTXKIOK-UHFFFAOYSA-N 1 0 352.434 3.900 40 0 FHABRO COc1ccc(-c2n[nH]cc2-c2cncn2C[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000019719570 211251524 /nfs/dbraw/zinc/25/15/24/211251524.db2.gz GYLHDVSDKXMJGL-MRXNPFEDSA-N 1 0 365.481 3.823 40 0 FHABRO Brc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019889648 211259663 /nfs/dbraw/zinc/25/96/63/211259663.db2.gz FPFAVNASDIGYQB-RYRKJORJSA-N 1 0 361.327 3.779 40 0 FHABRO Brc1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019889650 211258743 /nfs/dbraw/zinc/25/87/43/211258743.db2.gz FPFAVNASDIGYQB-SOLBZPMBSA-N 1 0 361.327 3.779 40 0 FHABRO COCCC[N@H+](Cc1ccccn1)Cc1ccc2cc(OC)ccc2n1 ZINC000019593277 211241108 /nfs/dbraw/zinc/24/11/08/211241108.db2.gz PWRLHSDUJVBGDJ-UHFFFAOYSA-N 1 0 351.450 3.677 40 0 FHABRO Cc1c(-c2cncn2C[C@H](C)[NH+]2CCCCC2)cnn1Cc1ccccc1 ZINC000019654444 211242619 /nfs/dbraw/zinc/24/26/19/211242619.db2.gz JEULDXSWNPFXRC-SFHVURJKSA-N 1 0 363.509 3.978 40 0 FHABRO C[C@@H](CC(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)n1cnc2ccccc21 ZINC000019455281 211224182 /nfs/dbraw/zinc/22/41/82/211224182.db2.gz PNNRPLQSUTUBNO-OALUTQOASA-N 1 0 368.525 3.854 40 0 FHABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CC3)CC[C@@H]21 ZINC000019406580 211222247 /nfs/dbraw/zinc/22/22/47/211222247.db2.gz HVIMZCLWEIHPDS-UFYCRDLUSA-N 1 0 358.551 3.965 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1c(C)nn(C(C)C)c1C)Cc1ccccn1 ZINC000019527149 211228575 /nfs/dbraw/zinc/22/85/75/211228575.db2.gz BBBMHGMCHNMNIY-OAQYLSRUSA-N 1 0 369.557 3.962 40 0 FHABRO CCC[C@H](C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)n1nc(C)cc1C ZINC000019501791 211226577 /nfs/dbraw/zinc/22/65/77/211226577.db2.gz FKNBVJVTCOHCHW-WOJBJXKFSA-N 1 0 360.546 3.708 40 0 FHABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[NH+]2CCC(C)CC2)C1 ZINC000019496921 211225647 /nfs/dbraw/zinc/22/56/47/211225647.db2.gz GTVODPQKIFBBFV-KRWDZBQOSA-N 1 0 354.498 3.521 40 0 FHABRO CCC[C@H](C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)n1nc(C)cc1C ZINC000019501793 211225397 /nfs/dbraw/zinc/22/53/97/211225397.db2.gz FKNBVJVTCOHCHW-VQTJNVASSA-N 1 0 360.546 3.708 40 0 FHABRO C[C@H]1CN(CCOC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C(C)(C)C ZINC000019365091 211219285 /nfs/dbraw/zinc/21/92/85/211219285.db2.gz UMQSCSIFZSHZAJ-AWEZNQCLSA-N 1 0 353.894 3.693 40 0 FHABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCC2)CC1)[C@H]1CCCO1 ZINC000019369201 211217730 /nfs/dbraw/zinc/21/77/30/211217730.db2.gz LELXOLLQAHEFQB-FGZHOGPDSA-N 1 0 370.537 3.720 40 0 FHABRO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cccs2)nc(-c2ccncc2)[nH]1 ZINC000019343479 211216532 /nfs/dbraw/zinc/21/65/32/211216532.db2.gz OCLWFEXEIUTSCV-KRWDZBQOSA-N 1 0 352.463 3.621 40 0 FHABRO O=C(c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)no1)N1CCCCC1 ZINC000019293795 211214117 /nfs/dbraw/zinc/21/41/17/211214117.db2.gz AHVYTMJUUFATDI-UHFFFAOYSA-N 1 0 371.456 3.819 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000019082083 211201389 /nfs/dbraw/zinc/20/13/89/211201389.db2.gz QTKBKTVCQVGVPY-FQEVSTJZSA-N 1 0 366.509 3.592 40 0 FHABRO CCC[C@H]1C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C/C1=C\C(=O)OCC ZINC000017061365 211175811 /nfs/dbraw/zinc/17/58/11/211175811.db2.gz LFZYBLRISRNIIY-ULPJZJLVSA-N 1 0 373.493 3.913 40 0 FHABRO CCOc1cc(C[NH2+][C@H](C)CC)ccc1OCC(=O)NC1CCCCC1 ZINC000036612910 211125658 /nfs/dbraw/zinc/12/56/58/211125658.db2.gz XSBZHFNBRLKFKT-MRXNPFEDSA-N 1 0 362.514 3.801 40 0 FHABRO O=C(COc1ccccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008430005 210786962 /nfs/dbraw/zinc/78/69/62/210786962.db2.gz OSKBLANRVXDXSV-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008011896 210764958 /nfs/dbraw/zinc/76/49/58/210764958.db2.gz PBPDQMCONFNKJV-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007923795 210760558 /nfs/dbraw/zinc/76/05/58/210760558.db2.gz VHJMNZFCLAMXRT-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO CNc1cc(C)[nH+]c([C@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)c1 ZINC000257303954 533047248 /nfs/dbraw/zinc/04/72/48/533047248.db2.gz SJMAREYALDSQIN-AWEZNQCLSA-N 1 0 352.413 3.682 40 0 FHABRO Cc1n[nH]c(C)c1[C@H](C)NC(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019748480 220293586 /nfs/dbraw/zinc/29/35/86/220293586.db2.gz XMORHHDMAOSGFV-INIZCTEOSA-N 1 0 368.525 3.549 40 0 FHABRO COc1cc2ccc(C)nc2c(NC[C@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000001656128 210363849 /nfs/dbraw/zinc/36/38/49/210363849.db2.gz VPPTWHKMIRXDDL-IBGZPJMESA-N 1 0 373.541 3.939 40 0 FHABRO CCN(CC)CC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000022107715 220376966 /nfs/dbraw/zinc/37/69/66/220376966.db2.gz QZWXDLMPDGYUIR-UHFFFAOYSA-N 1 0 356.510 3.748 40 0 FHABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4F)C3)o2)cc1 ZINC000049170201 221020853 /nfs/dbraw/zinc/02/08/53/221020853.db2.gz XEBXAAGPMUKSKL-KRWDZBQOSA-N 1 0 366.440 3.931 40 0 biogenic,in-vitro FHABRO COc1ccc(C[NH+]2CCC3(CCN(c4ccc(C)nn4)CC3)CC2)cc1 ZINC000096047352 132217219 /nfs/dbraw/zinc/21/72/19/132217219.db2.gz IGARLWCNZATSDL-UHFFFAOYSA-N 1 0 366.509 3.676 40 0 FHABRO CNc1cc(N2CCc3cc(Br)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328978441 132297482 /nfs/dbraw/zinc/29/74/82/132297482.db2.gz FZXXUPWRJYXJDB-UHFFFAOYSA-N 1 0 359.271 3.721 40 0 FHABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NC(C)C)[nH+]1 ZINC000329014801 132372519 /nfs/dbraw/zinc/37/25/19/132372519.db2.gz MYOCSSPSPSWXOL-UHFFFAOYSA-N 1 0 361.287 3.931 40 0 FHABRO Cc1nc(N2Cc3ccccc3CC2(C)C)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329045498 132373102 /nfs/dbraw/zinc/37/31/02/132373102.db2.gz TVWKOKVMMKEXGY-SFHVURJKSA-N 1 0 354.498 3.555 40 0 FHABRO Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329066913 132373152 /nfs/dbraw/zinc/37/31/52/132373152.db2.gz YESGXCXWPWKVPL-OAHLLOKOSA-N 1 0 352.482 3.756 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3ccncc3)CO2)CC1 ZINC000096106849 222025011 /nfs/dbraw/zinc/02/50/11/222025011.db2.gz YKIMZVHTHBSKLT-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccsc1C[N@@H+]1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 ZINC000096107514 222026720 /nfs/dbraw/zinc/02/67/20/222026720.db2.gz IBQXRDRLFDGEFY-ICSRJNTNSA-N 1 0 358.507 3.792 40 0 FHABRO Fc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2c[nH]c3ccccc23)COC1 ZINC000096112725 222029229 /nfs/dbraw/zinc/02/92/29/222029229.db2.gz RAEKPMCXGAVSNV-HNNXBMFYSA-N 1 0 350.397 3.518 40 0 biogenic,in-vitro FHABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccc(C)s4)C3)C2)cc1 ZINC000096047622 222000043 /nfs/dbraw/zinc/00/00/43/222000043.db2.gz XNHUGRVAURQNRN-PXNSSMCTSA-N 1 0 358.507 3.911 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NCC1CC1 ZINC000096052696 222002511 /nfs/dbraw/zinc/00/25/11/222002511.db2.gz VYPIVXFRGXVZEI-IBGZPJMESA-N 1 0 352.522 3.834 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053243 222003594 /nfs/dbraw/zinc/00/35/94/222003594.db2.gz DXDZQGHSMMBQNE-MRXNPFEDSA-N 1 0 370.518 3.785 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000096052717 222003624 /nfs/dbraw/zinc/00/36/24/222003624.db2.gz IBNUMYJLPPCZTB-LJQANCHMSA-N 1 0 363.505 3.581 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NC1CC1 ZINC000096052972 222003766 /nfs/dbraw/zinc/00/37/66/222003766.db2.gz MCXPYMQUXXHUED-SFHVURJKSA-N 1 0 364.489 3.969 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053234 222003787 /nfs/dbraw/zinc/00/37/87/222003787.db2.gz GXXTVHAYCDYHED-IBGZPJMESA-N 1 0 368.521 3.810 40 0 FHABRO CN1C[C@H](c2ccccc2)C2(CC[NH+](Cc3ccc(F)cc3)CC2)C1=O ZINC000096100288 222022014 /nfs/dbraw/zinc/02/20/14/222022014.db2.gz KSCABMGNLBJTRI-HXUWFJFHSA-N 1 0 352.453 3.664 40 0 FHABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1ccco1)CC2 ZINC000096100259 222022937 /nfs/dbraw/zinc/02/29/37/222022937.db2.gz XGNYKSGAKJFFEC-FQEVSTJZSA-N 1 0 350.462 3.855 40 0 FHABRO CC[NH+]1CCC2(CN(C(=O)c3cccnc3)c3ccc(Cl)cc32)CC1 ZINC000096161077 222059608 /nfs/dbraw/zinc/05/96/08/222059608.db2.gz JYDOTHRJJLGLJY-UHFFFAOYSA-N 1 0 355.869 3.749 40 0 FHABRO Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096215424 222079639 /nfs/dbraw/zinc/07/96/39/222079639.db2.gz JGFCKIPIEQYGFH-JOCHJYFZSA-N 1 0 371.525 3.741 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096215579 222079652 /nfs/dbraw/zinc/07/96/52/222079652.db2.gz LQGVOPLUDPBNHJ-QFIPXVFZSA-N 1 0 351.494 3.578 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)c1 ZINC000096215582 222080190 /nfs/dbraw/zinc/08/01/90/222080190.db2.gz LQGVOPLUDPBNHJ-JOCHJYFZSA-N 1 0 351.494 3.578 40 0 FHABRO Cc1nc(CN2CC[C@]3(C2)CCC[N@H+](Cc2c(C)noc2C)C3)cs1 ZINC000096215990 222082330 /nfs/dbraw/zinc/08/23/30/222082330.db2.gz LYXZCBLGJWQMFO-LJQANCHMSA-N 1 0 360.527 3.544 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)o1 ZINC000096218326 222082466 /nfs/dbraw/zinc/08/24/66/222082466.db2.gz RROSHTNXBXKDJW-HXUWFJFHSA-N 1 0 356.466 3.571 40 0 FHABRO CC(=C\c1ccccc1)/C=C1/NC(=S)N(C[NH+]2CCCCCC2)C1=O ZINC000104303462 222355644 /nfs/dbraw/zinc/35/56/44/222355644.db2.gz CNEMYHOTGQXXLA-KSQUNMIPSA-N 1 0 355.507 3.524 40 0 FHABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000019933002 519779657 /nfs/dbraw/zinc/77/96/57/519779657.db2.gz FMNVOBILUDEOIQ-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO CCCC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C2CCCC2)CC1 ZINC000020139881 521245611 /nfs/dbraw/zinc/24/56/11/521245611.db2.gz USCVMZWOGMMWTF-GOSISDBHSA-N 1 0 362.566 3.610 40 0 FHABRO COc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000020110565 524066243 /nfs/dbraw/zinc/06/62/43/524066243.db2.gz SECKSQRWLUTPPS-UHFFFAOYSA-N 1 0 352.478 3.857 40 0 FHABRO Cc1csc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000257279934 526395316 /nfs/dbraw/zinc/39/53/16/526395316.db2.gz OITUUWMDLNYNME-OAHLLOKOSA-N 1 0 373.526 3.652 40 0 FHABRO CC(C)[N@@H+]1CCC[C@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 ZINC000257208975 529028329 /nfs/dbraw/zinc/02/83/29/529028329.db2.gz BOIYIJKZKYKYIB-INIZCTEOSA-N 1 0 358.486 3.724 40 0 FHABRO CC[C@@H](C)Nc1nc(N2CCc3cc(OC)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329005313 535567065 /nfs/dbraw/zinc/56/70/65/535567065.db2.gz KXUQEDUYQDWRDY-OAHLLOKOSA-N 1 0 354.498 3.804 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)cc1 ZINC000225484308 560042687 /nfs/dbraw/zinc/04/26/87/560042687.db2.gz ZUFHFIZDODMABV-KRWDZBQOSA-N 1 0 356.397 3.565 40 0 biogenic,in-vitro FHABRO CCN(CC)Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000225462766 560043383 /nfs/dbraw/zinc/04/33/83/560043383.db2.gz USIMZORRTOMOKI-UHFFFAOYSA-N 1 0 365.587 3.849 40 0 biogenic,in-vitro FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CSCc2ccc(F)cc2)C1 ZINC000216327249 568118145 /nfs/dbraw/zinc/11/81/45/568118145.db2.gz ANLIQVCKOXPDIN-IYBDPMFKSA-N 1 0 352.519 3.543 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC ZINC000022931729 568314404 /nfs/dbraw/zinc/31/44/04/568314404.db2.gz KYVMNVNFDUKVQJ-LJQANCHMSA-N 1 0 369.509 3.585 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1c(OC)cccc1OC ZINC000022931732 568314415 /nfs/dbraw/zinc/31/44/15/568314415.db2.gz KYVMNVNFDUKVQJ-IBGZPJMESA-N 1 0 369.509 3.585 40 0 FHABRO Brc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 ZINC000222205667 568504073 /nfs/dbraw/zinc/50/40/73/568504073.db2.gz RYOUYIJYULFNQK-RCCFBDPRSA-N 1 0 361.327 3.779 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CSCc2ccc(Cl)cc2F)CC1 ZINC000222948749 568581368 /nfs/dbraw/zinc/58/13/68/568581368.db2.gz QJCVOJMVMCZKSU-UHFFFAOYSA-N 1 0 372.937 3.951 40 0 FHABRO CC[NH+](CC)CCCNC(=O)c1ccc2onc(-c3csc(C)n3)c2c1 ZINC000096037868 570472480 /nfs/dbraw/zinc/47/24/80/570472480.db2.gz IBWLNKRYZDXFEM-UHFFFAOYSA-N 1 0 372.494 3.721 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)c1 ZINC000096040084 570472687 /nfs/dbraw/zinc/47/26/87/570472687.db2.gz QBORJASJTLBCMH-UXHICEINSA-N 1 0 358.507 3.731 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040223 570473187 /nfs/dbraw/zinc/47/31/87/570473187.db2.gz IMVTZFCPCLNRMK-WOJBJXKFSA-N 1 0 358.507 3.731 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040173 570473313 /nfs/dbraw/zinc/47/33/13/570473313.db2.gz ZUZCLTRYPZAVFM-VQTJNVASSA-N 1 0 358.507 3.731 40 0 FHABRO COc1ccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047627 570473528 /nfs/dbraw/zinc/47/35/28/570473528.db2.gz VODNQTIRZLLDHJ-FPOVZHCZSA-N 1 0 356.441 3.680 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cc(C(C)C)no2)[C@@H]1Cc1cccc(C)c1 ZINC000585285441 570493955 /nfs/dbraw/zinc/49/39/55/570493955.db2.gz JVZAOQRIFPDMAX-UNMCSNQZSA-N 1 0 369.509 3.818 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000067802697 570567579 /nfs/dbraw/zinc/56/75/79/570567579.db2.gz UDNCJGVTDHTJNA-HNNXBMFYSA-N 1 0 369.303 3.938 40 0 FHABRO Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812401 570607907 /nfs/dbraw/zinc/60/79/07/570607907.db2.gz ALGBIQNSNSQKKV-RAUXBKROSA-N 1 0 354.494 3.955 40 0 FHABRO CC[NH+](CC)CCOCCC1=NC(C)(C)Cc2cc(OC)c(OC)cc21 ZINC000005453528 570627830 /nfs/dbraw/zinc/62/78/30/570627830.db2.gz YDBIDCHKMZNWFC-UHFFFAOYSA-N 1 0 362.514 3.576 40 0 FHABRO Fc1ccc(-n2c(SCC[NH+]3CCCC3)nnc2-c2cccnc2)cc1 ZINC000035310727 570641002 /nfs/dbraw/zinc/64/10/02/570641002.db2.gz BSGJGTVJEYVBCL-UHFFFAOYSA-N 1 0 369.469 3.656 40 0 FHABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000006205187 570643105 /nfs/dbraw/zinc/64/31/05/570643105.db2.gz TYRUYOLIZYXEAS-UHFFFAOYSA-N 1 0 370.522 3.567 40 0 FHABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000006462779 570647483 /nfs/dbraw/zinc/64/74/83/570647483.db2.gz KRSWRKPSEBPNKU-UHFFFAOYSA-N 1 0 373.884 3.664 40 0 FHABRO CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Br)C2 ZINC000004887166 570672705 /nfs/dbraw/zinc/67/27/05/570672705.db2.gz IZPAWRZBAHEEDZ-GOOCMWNKSA-N 1 0 365.315 3.974 40 0 FHABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008326329 570680250 /nfs/dbraw/zinc/68/02/50/570680250.db2.gz WSTHPKHOQGLTKK-AWEZNQCLSA-N 1 0 367.848 3.927 40 0 FHABRO C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008377055 570680721 /nfs/dbraw/zinc/68/07/21/570680721.db2.gz GFXBCLLDXJSGOM-UHFFFAOYSA-N 1 0 366.864 3.766 40 0 FHABRO CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012087219 570716966 /nfs/dbraw/zinc/71/69/66/570716966.db2.gz BGNWHPCHPXZNQU-HSZRJFAPSA-N 1 0 364.489 3.771 40 0 FHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000012089300 570718048 /nfs/dbraw/zinc/71/80/48/570718048.db2.gz LYZBRTARHFJLID-SFHVURJKSA-N 1 0 359.429 3.980 40 0 FHABRO COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCCC[NH+](C)C)cc1 ZINC000012113362 570718533 /nfs/dbraw/zinc/71/85/33/570718533.db2.gz IYMSCDDMSWUPEK-UHFFFAOYSA-N 1 0 367.497 3.694 40 0 FHABRO CCOc1cc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)ccc1O ZINC000012119183 570720080 /nfs/dbraw/zinc/72/00/80/570720080.db2.gz WOUZYTWYUFCPQW-MRXNPFEDSA-N 1 0 368.433 3.536 40 0 FHABRO Cc1cc(-c2cnc(NCC[NH+]3CCC(C)CC3)nc2-c2ccco2)on1 ZINC000012184400 570724426 /nfs/dbraw/zinc/72/44/26/570724426.db2.gz ZVABRUJLVBCIGV-UHFFFAOYSA-N 1 0 367.453 3.844 40 0 FHABRO Cc1cc(C)n(C[C@@H](C)[NH2+]Cc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012187480 570725193 /nfs/dbraw/zinc/72/51/93/570725193.db2.gz AKUGWKBYXCZQNR-CQSZACIVSA-N 1 0 370.884 3.687 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329446 570737419 /nfs/dbraw/zinc/73/74/19/570737419.db2.gz IPODWICUONHWCC-LEWJYISDSA-N 1 0 367.489 3.688 40 0 FHABRO C[NH+](C)CCCN1CN=C(c2ccccc2)N(c2cccc(Cl)c2)C1 ZINC000022609054 570947639 /nfs/dbraw/zinc/94/76/39/570947639.db2.gz VJFKBJJFROGEHO-UHFFFAOYSA-N 1 0 356.901 3.776 40 0 FHABRO O=C(Cc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224516669 570991750 /nfs/dbraw/zinc/99/17/50/570991750.db2.gz KIUHVEQDXAKPLD-UHFFFAOYSA-N 1 0 360.860 3.934 40 0 FHABRO Cc1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224552785 570992645 /nfs/dbraw/zinc/99/26/45/570992645.db2.gz YSYHDAYRCNPSIV-UHFFFAOYSA-N 1 0 370.468 3.541 40 0 FHABRO Cc1ccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224672185 570997023 /nfs/dbraw/zinc/99/70/23/570997023.db2.gz IJBFZIMSBNHAHU-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224782985 571000406 /nfs/dbraw/zinc/00/04/06/571000406.db2.gz DSHCLCDGQRDLOO-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000039743521 571024653 /nfs/dbraw/zinc/02/46/53/571024653.db2.gz TURSAMCSYDNVES-UHFFFAOYSA-N 1 0 352.434 3.574 40 0 FHABRO COc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1Cl ZINC000225435857 571035434 /nfs/dbraw/zinc/03/54/34/571035434.db2.gz NOIWKFAOCGRYTQ-UHFFFAOYSA-N 1 0 355.935 3.757 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)C(C)(C)Br)cc1 ZINC000225594204 571047849 /nfs/dbraw/zinc/04/78/49/571047849.db2.gz QTBLUWZMUSPXJL-UHFFFAOYSA-N 1 0 357.292 3.519 40 0 FHABRO CC[C@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225602950 571048608 /nfs/dbraw/zinc/04/86/08/571048608.db2.gz HARNXYQCPWWREI-UTKZUKDTSA-N 1 0 362.514 3.941 40 0 FHABRO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225611394 571049511 /nfs/dbraw/zinc/04/95/11/571049511.db2.gz HAGFSFHRMRRAFN-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 ZINC000225626100 571050722 /nfs/dbraw/zinc/05/07/22/571050722.db2.gz NYKUOIMXMUDPAB-QZTJIDSGSA-N 1 0 374.525 3.941 40 0 FHABRO CCCOC(C)(C)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225727372 571059595 /nfs/dbraw/zinc/05/95/95/571059595.db2.gz ZNZXAVDNFWQAOG-UHFFFAOYSA-N 1 0 350.503 3.941 40 0 FHABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1)c1ccncc1 ZINC000035289787 571076342 /nfs/dbraw/zinc/07/63/42/571076342.db2.gz PEXUHVBJGSYZGT-IHWFROFDSA-N 1 0 353.441 3.536 40 0 FHABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@H](C)C1 ZINC000036734966 571081374 /nfs/dbraw/zinc/08/13/74/571081374.db2.gz HSZPDAJYRIMOHM-SJLPKXTDSA-N 1 0 352.482 3.639 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000036741257 571081421 /nfs/dbraw/zinc/08/14/21/571081421.db2.gz DWGDIURVIOMZOG-JTSKRJEESA-N 1 0 370.537 3.921 40 0 FHABRO O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000038849075 571087668 /nfs/dbraw/zinc/08/76/68/571087668.db2.gz JVHHHDIRSFGLHS-KGLIPLIRSA-N 1 0 371.308 3.501 40 0 FHABRO C[NH+](C)CCCNc1nc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000328962516 571104971 /nfs/dbraw/zinc/10/49/71/571104971.db2.gz BIJJZLPRCRZNKG-UHFFFAOYSA-N 1 0 373.810 3.678 40 0 FHABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000044934638 571105220 /nfs/dbraw/zinc/10/52/20/571105220.db2.gz OOOFOACGTNFHHM-INIZCTEOSA-N 1 0 368.477 3.791 40 0 FHABRO Fc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000046103177 571106897 /nfs/dbraw/zinc/10/68/97/571106897.db2.gz FAFRSVIBYKLEIR-UHFFFAOYSA-N 1 0 361.461 3.700 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C[C@H]2C)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329032828 571107878 /nfs/dbraw/zinc/10/78/78/571107878.db2.gz QQEODEBZAWJQQL-APWZRJJASA-N 1 0 368.525 3.980 40 0 FHABRO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000036047190 571110142 /nfs/dbraw/zinc/11/01/42/571110142.db2.gz NGGKDTCGSHXTLI-FCJDFRRUSA-N 1 0 374.569 3.647 40 0 FHABRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1 ZINC000036047189 571110145 /nfs/dbraw/zinc/11/01/45/571110145.db2.gz NGGKDTCGSHXTLI-XBYSBRQOSA-N 1 0 374.569 3.647 40 0 FHABRO CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260743676 571121572 /nfs/dbraw/zinc/12/15/72/571121572.db2.gz OONXRMFWTXLVOU-LBPRGKRZSA-N 1 0 362.524 3.744 40 0 FHABRO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCCN3Cc2ccsc2)n1 ZINC000247896740 571126148 /nfs/dbraw/zinc/12/61/48/571126148.db2.gz XODIJQKKRQVUFQ-SXLOBPIMSA-N 1 0 358.507 3.648 40 0 FHABRO Cc1cccc(COCC[C@@H]2CCOC23CN(Cc2ccccc2F)C3)n1 ZINC000247889659 571126216 /nfs/dbraw/zinc/12/62/16/571126216.db2.gz UUECKFCQWYAFLI-LJQANCHMSA-N 1 0 370.468 3.727 40 0 FHABRO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2C2CCCC2)cc1C(F)(F)F ZINC000072355971 571182365 /nfs/dbraw/zinc/18/23/65/571182365.db2.gz JBAQVYLEWIMHEY-KRWDZBQOSA-N 1 0 355.404 3.816 40 0 FHABRO COc1ccccc1Oc1nccnc1C1CC[NH+](C2CCOCC2)CC1 ZINC000072362857 571184833 /nfs/dbraw/zinc/18/48/33/571184833.db2.gz CRZWVUKVBZQMIA-UHFFFAOYSA-N 1 0 369.465 3.636 40 0 FHABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)nc1 ZINC000072377620 571186607 /nfs/dbraw/zinc/18/66/07/571186607.db2.gz YHWVUCGNDKACPW-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)n1 ZINC000072378678 571186894 /nfs/dbraw/zinc/18/68/94/571186894.db2.gz DIBQYDIKLAHLMN-FQEVSTJZSA-N 1 0 361.493 3.994 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1F ZINC000072390044 571189706 /nfs/dbraw/zinc/18/97/06/571189706.db2.gz WGOSBQHAZUUDME-AWEZNQCLSA-N 1 0 356.376 3.789 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392690 571190233 /nfs/dbraw/zinc/19/02/33/571190233.db2.gz SVUHUXHDDIZJHP-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3cccs3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392691 571190289 /nfs/dbraw/zinc/19/02/89/571190289.db2.gz VYRTXSBLALGOFD-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CC1 ZINC000072398549 571190829 /nfs/dbraw/zinc/19/08/29/571190829.db2.gz YKWLJDCNBGOAHX-NQIIRXRSSA-N 1 0 367.468 3.700 40 0 FHABRO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395785 571190861 /nfs/dbraw/zinc/19/08/61/571190861.db2.gz RAMNQILXCKTTEZ-OPAMFIHVSA-N 1 0 352.453 3.577 40 0 FHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)c1 ZINC000585104957 571224136 /nfs/dbraw/zinc/22/41/36/571224136.db2.gz MUDHAORBGOWNAF-LJQANCHMSA-N 1 0 356.466 3.653 40 0 FHABRO COc1ccccc1Cc1cnc([C@@H]2CCCN2c2cc(C)ncn2)o1 ZINC000585178798 571238096 /nfs/dbraw/zinc/23/80/96/571238096.db2.gz HUJMRFGCOSEKRI-KRWDZBQOSA-N 1 0 350.422 3.714 40 0 FHABRO CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000247941992 571290928 /nfs/dbraw/zinc/29/09/28/571290928.db2.gz NQPZJKOBDPBIBW-BQFCYCMXSA-N 1 0 368.525 3.767 40 0 FHABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000248245926 571291240 /nfs/dbraw/zinc/29/12/40/571291240.db2.gz LZHQUJSFDRRAFA-UCNVEGJOSA-N 1 0 353.462 3.521 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000009063136 571302543 /nfs/dbraw/zinc/30/25/43/571302543.db2.gz ORNPQMAKYCUIEA-UHFFFAOYSA-N 1 0 366.461 3.617 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000009063568 571302751 /nfs/dbraw/zinc/30/27/51/571302751.db2.gz KKDJLNFOZAWCOG-UHFFFAOYSA-N 1 0 372.440 3.694 40 0 FHABRO CC[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@@H](C)C1 ZINC000012144906 571303401 /nfs/dbraw/zinc/30/34/01/571303401.db2.gz HSZPDAJYRIMOHM-WMZOPIPTSA-N 1 0 352.482 3.639 40 0 FHABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CC1 ZINC000012365826 571303453 /nfs/dbraw/zinc/30/34/53/571303453.db2.gz BESPTAZEFHQBGC-SJLPKXTDSA-N 1 0 373.497 3.762 40 0 FHABRO CC(C)C[N@@H+]1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019447170 571304031 /nfs/dbraw/zinc/30/40/31/571304031.db2.gz ZRRGUCMWVIAMDN-NZQKXSOJSA-N 1 0 365.521 3.850 40 0 FHABRO CCN(C(=O)Cc1ccc(OC)c(OC)c1)[C@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019704194 571304416 /nfs/dbraw/zinc/30/44/16/571304416.db2.gz ULYFOBHGKXTIAR-GOSISDBHSA-N 1 0 374.525 3.502 40 0 FHABRO CC[NH2+][C@H]1CN(Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703847 571304459 /nfs/dbraw/zinc/30/44/59/571304459.db2.gz URGJQFNJWCHLDZ-HXUWFJFHSA-N 1 0 352.526 3.818 40 0 FHABRO [NH3+]C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218646948 571355231 /nfs/dbraw/zinc/35/52/31/571355231.db2.gz BRRGQCIVCSWALV-BZUAXINKSA-N 1 0 356.274 3.508 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1 ZINC000006629896 941153116 /nfs/dbraw/zinc/15/31/16/941153116.db2.gz MCLCQOOAVPJNEJ-UHFFFAOYSA-N 1 0 359.470 3.794 40 0 FHABRO Cc1cc(Nc2cc(C3CC3)nc(NCCC[NH+](C)C)n2)ccc1Cl ZINC000328978336 210129414 /nfs/dbraw/zinc/12/94/14/210129414.db2.gz FXTKSFGEHVHNLY-UHFFFAOYSA-N 1 0 359.905 3.845 40 0 FHABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000072238838 210066304 /nfs/dbraw/zinc/06/63/04/210066304.db2.gz OOGFLUIOEMMFGW-OWFIIGRXSA-N 1 0 365.558 3.612 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccc(C)n4)C[C@@H]2C3)cc1 ZINC000306144882 210059514 /nfs/dbraw/zinc/05/95/14/210059514.db2.gz ZRJCNLGZPILAHR-RBUKOAKNSA-N 1 0 374.488 3.566 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cc1 ZINC000306134545 210053606 /nfs/dbraw/zinc/05/36/06/210053606.db2.gz NRAQIDKPUFETEM-LJQANCHMSA-N 1 0 373.435 3.920 40 0 FHABRO c1cc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)cs1 ZINC000306133534 210053655 /nfs/dbraw/zinc/05/36/55/210053655.db2.gz MOLDHKRJXODENH-NRFANRHFSA-N 1 0 362.502 3.702 40 0 FHABRO c1ccc(-c2ccc3nnc(C4CC[NH+](Cc5cccnc5)CC4)n3n2)cc1 ZINC000306127196 210051604 /nfs/dbraw/zinc/05/16/04/210051604.db2.gz FRIITNMVUWXDDP-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO c1ccc(CN2C[C@@]3(CC[N@H+](Cc4cccnc4)C3)c3ncccc32)cc1 ZINC000306126727 210050099 /nfs/dbraw/zinc/05/00/99/210050099.db2.gz FDKPUYOXHRKGSY-QHCPKHFHSA-N 1 0 356.473 3.641 40 0 FHABRO Fc1ccccc1C[N@@H+]1CC[C@]2(CN(Cc3ccccn3)c3cccnc32)C1 ZINC000306139288 210055392 /nfs/dbraw/zinc/05/53/92/210055392.db2.gz SUBNZJOZMQSWOX-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO O=S1(=O)c2ccc(-c3ccco3)cc2[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000306138794 210055363 /nfs/dbraw/zinc/05/53/63/210055363.db2.gz SHSLKPLPLQUPTJ-VQIMIIECSA-N 1 0 371.483 3.763 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000040373214 210044278 /nfs/dbraw/zinc/04/42/78/210044278.db2.gz XNXJVORMCRDQEW-KNQAVFIVSA-N 1 0 353.506 3.928 40 0 FHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000223248773 222770104 /nfs/dbraw/zinc/77/01/04/222770104.db2.gz MPBJWBUESNKRTF-GOSISDBHSA-N 1 0 358.526 3.715 40 0 FHABRO CCOC(=O)c1ccc2c(c1)[n+](CCOc1ccccc1)c(C)n2CC ZINC000000857133 219332136 /nfs/dbraw/zinc/33/21/36/219332136.db2.gz YYLNDXBMERLKKY-UHFFFAOYSA-N 1 0 353.442 3.513 40 0 FHABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000224696641 222818344 /nfs/dbraw/zinc/81/83/44/222818344.db2.gz MKYLSERSXHNEMY-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCCC1 ZINC000225628700 222856163 /nfs/dbraw/zinc/85/61/63/222856163.db2.gz QPDBKTYGMSHCEH-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257230092 223028794 /nfs/dbraw/zinc/02/87/94/223028794.db2.gz GAUHFZCSWCTOGJ-UKAVVXHISA-N 1 0 365.477 3.677 40 0 FHABRO Cc1nc(C(=O)N2[C@H](Cc3ccccc3)C[C@]3(C)[NH2+]CCCCC[C@H]23)co1 ZINC000257248646 223036651 /nfs/dbraw/zinc/03/66/51/223036651.db2.gz JEPMKZDOLLQHDU-CBQOVEMMSA-N 1 0 367.493 3.731 40 0 FHABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@]2(C)[NH2+]CCC[C@@H]12 ZINC000257258672 223039618 /nfs/dbraw/zinc/03/96/18/223039618.db2.gz KVBCTGFTVBHLFY-UTKZUKDTSA-N 1 0 369.534 3.789 40 0 FHABRO O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257256615 223039822 /nfs/dbraw/zinc/03/98/22/223039822.db2.gz KMFQGPVLCBLVMH-GOSISDBHSA-N 1 0 373.884 3.678 40 0 FHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)ccn1 ZINC000257267961 223043818 /nfs/dbraw/zinc/04/38/18/223043818.db2.gz MJSCVEIORYBXLQ-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1noc(C)c1-c1cccc(C[C@@H]2CC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257278587 223047948 /nfs/dbraw/zinc/04/79/48/223047948.db2.gz OCVPMCPJOCUNFN-KRWDZBQOSA-N 1 0 363.465 3.516 40 0 FHABRO C[NH+](C)Cc1cnn(-c2ccccc2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000257278765 223048960 /nfs/dbraw/zinc/04/89/60/223048960.db2.gz ODOSQYXGLTYSKZ-UHFFFAOYSA-N 1 0 368.868 3.517 40 0 FHABRO CCn1cc(CN2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)cn1 ZINC000257297064 223055486 /nfs/dbraw/zinc/05/54/86/223055486.db2.gz RFQCICFQDUOXFU-BHIFYINESA-N 1 0 352.526 3.621 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3cnc(C)nc3)C2)nc1 ZINC000257315930 223063085 /nfs/dbraw/zinc/06/30/85/223063085.db2.gz VDILITZBAZYYAD-IBGZPJMESA-N 1 0 363.465 3.831 40 0 FHABRO Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](Cc3cnccn3)C2)o1 ZINC000257331633 223068589 /nfs/dbraw/zinc/06/85/89/223068589.db2.gz XTQPXPJVEHXUGG-MRXNPFEDSA-N 1 0 352.413 3.574 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000089223557 212030571 /nfs/dbraw/zinc/03/05/71/212030571.db2.gz JQFLRYKFNUHUFO-AWEZNQCLSA-N 1 0 369.303 3.796 40 0 FHABRO COc1ccc(C[N@@H+](Cc2cccc3cccnc32)C[C@@H](C)O)cc1OC ZINC000013991766 220102039 /nfs/dbraw/zinc/10/20/39/220102039.db2.gz KZPFQICSZONLTM-MRXNPFEDSA-N 1 0 366.461 3.635 40 0 FHABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044872551 211803738 /nfs/dbraw/zinc/80/37/38/211803738.db2.gz HGPJMGVOPBSBRA-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCCC[NH+]1CCCCC1 ZINC000030758139 211526120 /nfs/dbraw/zinc/52/61/20/211526120.db2.gz BHZADZIUMJHRNX-HXUWFJFHSA-N 1 0 354.494 3.989 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000024114653 211403016 /nfs/dbraw/zinc/40/30/16/211403016.db2.gz XCWYZDMDPYBUTB-SFHVURJKSA-N 1 0 352.478 3.675 40 0 FHABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022521475 211354111 /nfs/dbraw/zinc/35/41/11/211354111.db2.gz VSDICTIBFXTJTM-CBGDNZLLSA-N 1 0 360.542 3.945 40 0 FHABRO C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021637663 211318182 /nfs/dbraw/zinc/31/81/82/211318182.db2.gz SUNWIJWNXZZJQX-GOSISDBHSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1nc(CC2CC[NH+](C3CCOCC3)CC2)cc(NC2CCCC2)n1 ZINC000019757678 211255925 /nfs/dbraw/zinc/25/59/25/211255925.db2.gz VSUSUSHIUYPNQP-UHFFFAOYSA-N 1 0 358.530 3.573 40 0 FHABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@@H]1CCCCO1 ZINC000019590802 211239840 /nfs/dbraw/zinc/23/98/40/211239840.db2.gz FQVUGRRMENTATC-WOZUAGRISA-N 1 0 374.500 3.564 40 0 FHABRO O=C(Nc1cccc(-n2cccn2)c1)[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000019714607 211246310 /nfs/dbraw/zinc/24/63/10/211246310.db2.gz TZABEDZSZZHAQB-NRFANRHFSA-N 1 0 360.461 3.518 40 0 FHABRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019690300 211245573 /nfs/dbraw/zinc/24/55/73/211245573.db2.gz DXGFALVDJLHHTH-LJQANCHMSA-N 1 0 364.468 3.925 40 0 FHABRO CC(C)c1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cn1 ZINC000019453940 211224280 /nfs/dbraw/zinc/22/42/80/211224280.db2.gz QJUBGUASLAHJGG-PMSBKCLSSA-N 1 0 355.457 3.754 40 0 FHABRO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000019401109 211222022 /nfs/dbraw/zinc/22/20/22/211222022.db2.gz RYGJNFXXWXQHMM-DETIRCLXSA-N 1 0 359.473 3.750 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3cc4ncccc4[nH]3)CC2)cc1OC ZINC000019560885 211233501 /nfs/dbraw/zinc/23/35/01/211233501.db2.gz ZTHNOYGMWYQYBT-UHFFFAOYSA-N 1 0 351.450 3.960 40 0 FHABRO COc1cc2c(cc1OC)[C@H](c1ccccc1)[N@H+](CC1=CCCOC1)CC2 ZINC000019550677 211230236 /nfs/dbraw/zinc/23/02/36/211230236.db2.gz LOSMBJLOBOMSKA-QHCPKHFHSA-N 1 0 365.473 3.998 40 0 FHABRO COc1ccc(C2(C[NH+]3CCC(NC(=O)C4CC4)CC3)CCCCC2)cc1 ZINC000019553819 211230109 /nfs/dbraw/zinc/23/01/09/211230109.db2.gz ZXKDCUATGYWNIK-UHFFFAOYSA-N 1 0 370.537 3.888 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CNc1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000019527271 211228857 /nfs/dbraw/zinc/22/88/57/211228857.db2.gz FAQNDSLDLFDKPR-AWEZNQCLSA-N 1 0 366.494 3.558 40 0 FHABRO CCn1ncc(C[N@@H+]2CCC[C@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1C ZINC000019523947 211228605 /nfs/dbraw/zinc/22/86/05/211228605.db2.gz JWMRCXRDNMZIGM-INIZCTEOSA-N 1 0 374.872 3.610 40 0 FHABRO Cn1cc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)c2cc(F)ccc21 ZINC000019290343 211212494 /nfs/dbraw/zinc/21/24/94/211212494.db2.gz ZIQYEMUWTSRNPA-LJQANCHMSA-N 1 0 353.441 3.894 40 0 FHABRO Cc1cccc(-c2cc(C[NH2+]C[C@H](C)c3ccccc3)c3nnnn3c2)c1 ZINC000019235288 211210190 /nfs/dbraw/zinc/21/01/90/211210190.db2.gz FLLZCFRGKBHFRY-KRWDZBQOSA-N 1 0 357.461 3.993 40 0 FHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1cccc(F)c1 ZINC000019238580 211210284 /nfs/dbraw/zinc/21/02/84/211210284.db2.gz VAQCFSNRADPWMA-UHFFFAOYSA-N 1 0 362.514 3.920 40 0 FHABRO CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019446674 211221136 /nfs/dbraw/zinc/22/11/36/211221136.db2.gz KMJNYABWAOREAR-SIKLNZKXSA-N 1 0 366.509 3.592 40 0 FHABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)N1 ZINC000019372614 211219212 /nfs/dbraw/zinc/21/92/12/211219212.db2.gz GMNIZGJNRKITNC-RBBKRZOGSA-N 1 0 352.453 3.854 40 0 FHABRO COc1cc2cccnc2c(N[C@H](C)CCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019364691 211218564 /nfs/dbraw/zinc/21/85/64/211218564.db2.gz XZCBNFPCVYRZNI-IERDGZPVSA-N 1 0 368.525 3.508 40 0 FHABRO O[C@@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCc3cccnc3)c2)C1 ZINC000019369773 211218242 /nfs/dbraw/zinc/21/82/42/211218242.db2.gz OOJLCXLYARXGMK-QHCPKHFHSA-N 1 0 360.457 3.754 40 0 FHABRO Cc1cc(-c2nccs2)nc(C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000019118675 211202558 /nfs/dbraw/zinc/20/25/58/211202558.db2.gz UESPBJCUTRROQL-UHFFFAOYSA-N 1 0 351.479 3.683 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019081983 211201648 /nfs/dbraw/zinc/20/16/48/211201648.db2.gz WTBFKTLBPMKSLY-QUCCMNQESA-N 1 0 366.509 3.592 40 0 FHABRO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCC[N@H+](Cc4ccccc4)[C@@H]32)cc1 ZINC000019019367 211199352 /nfs/dbraw/zinc/19/93/52/211199352.db2.gz HRVOUZDSYOCKAO-DNVJHFABSA-N 1 0 364.489 3.674 40 0 FHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3C)CC[C@@H]21 ZINC000019237248 211208114 /nfs/dbraw/zinc/20/81/14/211208114.db2.gz ISGQVLJTEAUROB-ACRUOGEOSA-N 1 0 354.519 3.893 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216601 211206692 /nfs/dbraw/zinc/20/66/92/211206692.db2.gz WXDOUYDZPYTWSA-GCJKJVERSA-N 1 0 368.477 3.610 40 0 FHABRO Cc1ccc(-c2cc([C@H]3CC[N@H+](Cc4cccnc4)C3)nc(N(C)C)n2)cc1 ZINC000019212206 211205862 /nfs/dbraw/zinc/20/58/62/211205862.db2.gz SQUBRZPOFWGPCQ-FQEVSTJZSA-N 1 0 373.504 3.903 40 0 FHABRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c(Cl)cc1O ZINC000012366552 210947439 /nfs/dbraw/zinc/94/74/39/210947439.db2.gz GVADAQYAJQFZST-BLLLJJGKSA-N 1 0 350.846 3.852 40 0 FHABRO COc1ccccc1[C@]1(O)CCC[C@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000019569230 220273725 /nfs/dbraw/zinc/27/37/25/220273725.db2.gz LZHQUJSFDRRAFA-RBDMOPTHSA-N 1 0 353.462 3.521 40 0 FHABRO Cc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C ZINC000008011803 210765339 /nfs/dbraw/zinc/76/53/39/210765339.db2.gz PONOKZZBOXMGNR-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748307 220293841 /nfs/dbraw/zinc/29/38/41/220293841.db2.gz DOJDGZNGTAAIHC-MRXNPFEDSA-N 1 0 374.573 3.519 40 0 FHABRO CCC(=O)N(c1ccccc1)[C@H](C)C[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000001640697 210363466 /nfs/dbraw/zinc/36/34/66/210363466.db2.gz ZNWGHTXKMQEDBT-LJQANCHMSA-N 1 0 366.505 3.802 40 0 FHABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4cccs4)C3)o2)cc1 ZINC000049170238 221020952 /nfs/dbraw/zinc/02/09/52/221020952.db2.gz CXJFOOCPAVHLSU-HNNXBMFYSA-N 1 0 354.479 3.854 40 0 biogenic,in-vitro FHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccccc2Br)CC1 ZINC000067800501 221287556 /nfs/dbraw/zinc/28/75/56/221287556.db2.gz ZZGBAPHKIJWPCT-UHFFFAOYSA-N 1 0 369.303 3.938 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2ccncc2)[nH]1 ZINC000072392694 221493134 /nfs/dbraw/zinc/49/31/34/221493134.db2.gz LWBNGQUSWLJOKE-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000072601035 136149899 /nfs/dbraw/zinc/14/98/99/136149899.db2.gz HTYSHGIWTLMXLB-KRWDZBQOSA-N 1 0 369.534 3.866 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@H](OCc3ccncc3)CO2)CC1 ZINC000096106848 222025169 /nfs/dbraw/zinc/02/51/69/222025169.db2.gz YKIMZVHTHBSKLT-NRFANRHFSA-N 1 0 352.478 3.730 40 0 FHABRO Fc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3ccncc3)CO2)CC1 ZINC000096106851 222025956 /nfs/dbraw/zinc/02/59/56/222025956.db2.gz YNHHZALEBQMHEZ-LJQANCHMSA-N 1 0 356.441 3.561 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053244 222003281 /nfs/dbraw/zinc/00/32/81/222003281.db2.gz DXDZQGHSMMBQNE-INIZCTEOSA-N 1 0 370.518 3.785 40 0 FHABRO Cc1ccc(CN2CCOC[C@]3(CC[N@H+](Cc4cccs4)C3)C2)s1 ZINC000096062396 222009552 /nfs/dbraw/zinc/00/95/52/222009552.db2.gz ULTZJBZJPLZPAG-IBGZPJMESA-N 1 0 362.564 3.843 40 0 FHABRO Cc1cccc(COC[C@]23CCCO[C@@H]2CC[N@H+](Cc2ccoc2)C3)n1 ZINC000096065127 222010913 /nfs/dbraw/zinc/01/09/13/222010913.db2.gz KLVAJBFEZJYYIM-NHCUHLMSSA-N 1 0 356.466 3.571 40 0 FHABRO c1csc(NC[C@@H]2CO[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)n1 ZINC000096075711 222013939 /nfs/dbraw/zinc/01/39/39/222013939.db2.gz ODTCPRFBVSPXNF-QUCCMNQESA-N 1 0 357.523 3.669 40 0 FHABRO Cc1oncc1C(=O)N1CCC2(CC[C@@H]([NH+](C)C)c3ccccc32)CC1 ZINC000096079639 222015774 /nfs/dbraw/zinc/01/57/74/222015774.db2.gz LKLZPRGSPFDNAX-LJQANCHMSA-N 1 0 353.466 3.554 40 0 FHABRO O=C(N[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)c1ccc[nH]1 ZINC000096079849 222016669 /nfs/dbraw/zinc/01/66/69/222016669.db2.gz JPQOYLYQYJFTKE-IBGZPJMESA-N 1 0 365.477 3.513 40 0 FHABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1ccco1)CC2 ZINC000096100258 222022007 /nfs/dbraw/zinc/02/20/07/222022007.db2.gz XGNYKSGAKJFFEC-HXUWFJFHSA-N 1 0 350.462 3.855 40 0 FHABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]Cc1cnc3ccccc3c1)OC2 ZINC000096296461 222112328 /nfs/dbraw/zinc/11/23/28/222112328.db2.gz FMTWXKBRVYMJQZ-FQEVSTJZSA-N 1 0 370.456 3.787 40 0 biogenic,in-vitro FHABRO COC[C@H]1CCC2(CCN(C(=O)c3cc4ccccc4s3)CC2)[N@@H+]1C ZINC000096208272 222078420 /nfs/dbraw/zinc/07/84/20/222078420.db2.gz WBYSCFCGFCQILS-MRXNPFEDSA-N 1 0 358.507 3.617 40 0 FHABRO CCOC[C@H]1CCC2(CCN(Cc3ccc4ccccc4n3)CC2)[N@@H+]1C ZINC000096209197 222078877 /nfs/dbraw/zinc/07/88/77/222078877.db2.gz BXIAGOPCYVHJNQ-HXUWFJFHSA-N 1 0 353.510 3.700 40 0 FHABRO Cc1ccsc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1c(C)noc1C)C2 ZINC000096216028 222082404 /nfs/dbraw/zinc/08/24/04/222082404.db2.gz UTVHOZLPKPQWOA-HXUWFJFHSA-N 1 0 373.522 3.790 40 0 FHABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000020458351 523060441 /nfs/dbraw/zinc/06/04/41/523060441.db2.gz LHSHFXLTRPUTNP-QGZVFWFLSA-N 1 0 352.906 3.736 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(C)[C@@H]2CCC(=O)N3Cc2ccccc2F)n1 ZINC000257291825 534711450 /nfs/dbraw/zinc/71/14/50/534711450.db2.gz QITUNQYWPMTMLV-UNMCSNQZSA-N 1 0 367.468 3.685 40 0 FHABRO O=C(Cc1ccsc1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257334488 534737680 /nfs/dbraw/zinc/73/76/80/534737680.db2.gz YGEDJUUGJLUFRZ-IBGZPJMESA-N 1 0 355.507 3.645 40 0 FHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccncc4)[C@@H]3C[C@H]21 ZINC000257261665 527817331 /nfs/dbraw/zinc/81/73/31/527817331.db2.gz LIIGPSACJUEUQH-UKAVVXHISA-N 1 0 350.462 3.973 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)o1 ZINC000096040184 570473018 /nfs/dbraw/zinc/47/30/18/570473018.db2.gz VMXWFGDFSHZRGR-NHCUHLMSSA-N 1 0 356.466 3.571 40 0 FHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccccn3)C2)cs1 ZINC000096040227 570473206 /nfs/dbraw/zinc/47/32/06/570473206.db2.gz YPRXXSKNFOKYLV-WOJBJXKFSA-N 1 0 358.507 3.731 40 0 FHABRO O=C1CC[C@]2(CCC[N@@H+](Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 ZINC000096047539 570473552 /nfs/dbraw/zinc/47/35/52/570473552.db2.gz PQWOGPMKXQMBSI-QFIPXVFZSA-N 1 0 367.468 3.768 40 0 FHABRO O[C@H]1[C@H](Oc2ccccc2F)CCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000585290065 570495618 /nfs/dbraw/zinc/49/56/18/570495618.db2.gz RGEOSOPNBIBHAO-DFQSSKMNSA-N 1 0 363.860 3.972 40 0 FHABRO Cc1cccc(CN2CC3(CC2=O)CC[NH+](C[C@@H]2CC=CCC2)CC3)n1 ZINC000108527749 570526810 /nfs/dbraw/zinc/52/68/10/570526810.db2.gz JCROWQNVLMUBSC-LJQANCHMSA-N 1 0 353.510 3.561 40 0 FHABRO CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694544 570527981 /nfs/dbraw/zinc/52/79/81/570527981.db2.gz VLWDXHLABKTLOC-SJLPKXTDSA-N 1 0 363.542 3.954 40 0 FHABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216462 570533613 /nfs/dbraw/zinc/53/36/13/570533613.db2.gz WHBKVIBZPMSGON-SFHVURJKSA-N 1 0 374.529 3.684 40 0 FHABRO Cc1nc2cc(F)ccc2n1C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000004618642 570597607 /nfs/dbraw/zinc/59/76/07/570597607.db2.gz OHYKWCWNAGXDMJ-UHFFFAOYSA-N 1 0 366.440 3.759 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](C)Sc1ccc(OC)cc1 ZINC000260449421 570626884 /nfs/dbraw/zinc/62/68/84/570626884.db2.gz SRPCWYIPCBTALJ-DLBZAZTESA-N 1 0 364.555 3.947 40 0 FHABRO COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3C=CN2C)cc1OC ZINC000005707253 570633610 /nfs/dbraw/zinc/63/36/10/570633610.db2.gz JTPHLUJGSNTOFP-KRWDZBQOSA-N 1 0 355.434 3.921 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC(=O)N4CCC[C@H](C)C4)CC3)[nH]c2cc1C ZINC000035292237 570638378 /nfs/dbraw/zinc/63/83/78/570638378.db2.gz JGZMVDRENKPYBT-HNNXBMFYSA-N 1 0 368.525 3.618 40 0 FHABRO Cc1cc(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)ccc1C(C)C ZINC000006008659 570640149 /nfs/dbraw/zinc/64/01/49/570640149.db2.gz XUKIHVRTKIVLKB-SFHVURJKSA-N 1 0 363.542 3.872 40 0 FHABRO CC(C)(C)[C@H]1CCc2onc(C(=O)NCC(C)(C)[NH+]3CCCCC3)c2C1 ZINC000035316577 570642143 /nfs/dbraw/zinc/64/21/43/570642143.db2.gz IDUYJZPVNQTSQJ-HNNXBMFYSA-N 1 0 361.530 3.820 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)cc(C)c1C ZINC000006382281 570646350 /nfs/dbraw/zinc/64/63/50/570646350.db2.gz LZTODCAWQQAYNA-QHCPKHFHSA-N 1 0 369.505 3.733 40 0 FHABRO Fc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccco2)cc1 ZINC000004886368 570672540 /nfs/dbraw/zinc/67/25/40/570672540.db2.gz VOSBFSUBVACZDG-ALOPSCKCSA-N 1 0 359.470 3.901 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@]2(CCC[N@H+](Cc3ccccc3F)C2)C1 ZINC000012087206 570717235 /nfs/dbraw/zinc/71/72/35/570717235.db2.gz DIBCLEKILFKQMJ-QFIPXVFZSA-N 1 0 368.452 3.601 40 0 FHABRO COc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCOCC3)C2)c(OC)c1 ZINC000012122117 570720711 /nfs/dbraw/zinc/72/07/11/570720711.db2.gz BCBMWTFEGVEEBM-UHFFFAOYSA-N 1 0 369.461 3.648 40 0 FHABRO COc1cccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(=O)[nH]c3ccccc23)c1 ZINC000012147128 570722604 /nfs/dbraw/zinc/72/26/04/570722604.db2.gz QHJHGRDYMWQPIO-UHFFFAOYSA-N 1 0 374.444 3.971 40 0 FHABRO OC1(Cn2ccc3nc(Cl)ccc32)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000012163183 570724287 /nfs/dbraw/zinc/72/42/87/570724287.db2.gz AOZDPYLWGJWJFF-MRXNPFEDSA-N 1 0 359.901 3.873 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000012239737 570730321 /nfs/dbraw/zinc/73/03/21/570730321.db2.gz FCBSPUKWGRJTFZ-MRXNPFEDSA-N 1 0 372.538 3.728 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000012292283 570732252 /nfs/dbraw/zinc/73/22/52/570732252.db2.gz LYENZSBRFYCBRW-QFIPXVFZSA-N 1 0 365.448 3.996 40 0 FHABRO c1cc(-c2ccc(-c3noc(C[NH+]4C[C@@H]5CCCC[C@H]5C4)n3)cc2)ncn1 ZINC000012337231 570737687 /nfs/dbraw/zinc/73/76/87/570737687.db2.gz NKSLZXCUSANDCP-ROUUACIJSA-N 1 0 361.449 3.816 40 0 FHABRO O=C(Cc1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000006548465 570783288 /nfs/dbraw/zinc/78/32/88/570783288.db2.gz ILWCZIHBPFBZLO-UHFFFAOYSA-N 1 0 367.518 3.728 40 0 FHABRO O=C(c1ccnc(N2CCCCC2)c1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019403671 570888395 /nfs/dbraw/zinc/88/83/95/570888395.db2.gz OTPYJYRXAKNLMG-HXUWFJFHSA-N 1 0 370.541 3.553 40 0 FHABRO Cc1ccc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)c(C)c1 ZINC000022609065 570947769 /nfs/dbraw/zinc/94/77/69/570947769.db2.gz IQRVFJFQADHZMD-UHFFFAOYSA-N 1 0 350.510 3.739 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000024189394 570972553 /nfs/dbraw/zinc/97/25/53/570972553.db2.gz ZFNNCDNBHXWGHR-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO COc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1OC ZINC000224643533 570996117 /nfs/dbraw/zinc/99/61/17/570996117.db2.gz GPVGUJWIPQVZER-UHFFFAOYSA-N 1 0 368.477 3.620 40 0 FHABRO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000028221018 571027815 /nfs/dbraw/zinc/02/78/15/571027815.db2.gz JYQFBHCQLHCHJR-LJQANCHMSA-N 1 0 356.897 3.911 40 0 FHABRO Cc1cc(C)c(S(=O)(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000031075301 571053747 /nfs/dbraw/zinc/05/37/47/571053747.db2.gz LBQKIMKBTAVKSA-UHFFFAOYSA-N 1 0 372.534 3.686 40 0 FHABRO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031666887 571054883 /nfs/dbraw/zinc/05/48/83/571054883.db2.gz ZQCBFAAEASIQQB-GOSISDBHSA-N 1 0 362.926 3.615 40 0 FHABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000036752864 571082004 /nfs/dbraw/zinc/08/20/04/571082004.db2.gz CPHVYDLJFXEDFA-LJQANCHMSA-N 1 0 368.525 3.566 40 0 FHABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1OC ZINC000038834960 571087019 /nfs/dbraw/zinc/08/70/19/571087019.db2.gz IMSBDKWKWHEUBL-INIZCTEOSA-N 1 0 372.440 3.694 40 0 FHABRO COc1cccc2cc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)oc21 ZINC000044872090 571103535 /nfs/dbraw/zinc/10/35/35/571103535.db2.gz MELJEYBLJFIWMN-UHFFFAOYSA-N 1 0 364.445 3.967 40 0 FHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814672 571123543 /nfs/dbraw/zinc/12/35/43/571123543.db2.gz MFRTUJJWHVWCIW-HTAPYJJXSA-N 1 0 374.525 3.941 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814679 571123623 /nfs/dbraw/zinc/12/36/23/571123623.db2.gz MFRTUJJWHVWCIW-JTSKRJEESA-N 1 0 374.525 3.941 40 0 FHABRO Cc1cccc(COC[C@H]2C[C@@H]3[C@H](C2)OCCN3Cc2cccs2)n1 ZINC000247882715 571126220 /nfs/dbraw/zinc/12/62/20/571126220.db2.gz RWFYWQODYLASQT-DBVUQKKJSA-N 1 0 358.507 3.648 40 0 FHABRO COC[C@@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc3ccccc31)CC2 ZINC000247954400 571126585 /nfs/dbraw/zinc/12/65/85/571126585.db2.gz SAHMOHGPUZLZFD-NRFANRHFSA-N 1 0 366.505 3.547 40 0 FHABRO O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@@H]1CCC[NH2+]CC1 ZINC000006117750 571151136 /nfs/dbraw/zinc/15/11/36/571151136.db2.gz WRYCMIFVXDQIKN-QGZVFWFLSA-N 1 0 367.880 3.955 40 0 world FHABRO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@@H](O)c2cccs2)CC1 ZINC000263614122 571166214 /nfs/dbraw/zinc/16/62/14/571166214.db2.gz GLAAETOTOUGGSB-GOSISDBHSA-N 1 0 358.507 3.689 40 0 in-man FHABRO Cc1cnccc1C[N@@H+]1Cc2ccccc2OC2(CCC(CO)CC2)C1 ZINC000072334478 571178718 /nfs/dbraw/zinc/17/87/18/571178718.db2.gz MGGUDKQXUQYXMW-UHFFFAOYSA-N 1 0 352.478 3.706 40 0 FHABRO CCCc1ncc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000072340450 571179118 /nfs/dbraw/zinc/17/91/18/571179118.db2.gz AOMHEQYOLXBIKC-ZNLUXHQJSA-N 1 0 369.484 3.688 40 0 FHABRO COc1ccc(-c2cccc([C@H]3CCC[N@H+](Cc4nccn4C)C3)n2)cc1 ZINC000072350004 571181423 /nfs/dbraw/zinc/18/14/23/571181423.db2.gz UKCXJZTZUSHCBY-SFHVURJKSA-N 1 0 362.477 3.870 40 0 FHABRO CC(C)c1nccn1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072350559 571181788 /nfs/dbraw/zinc/18/17/88/571181788.db2.gz XQBQJKHNSNICIS-GOSISDBHSA-N 1 0 362.481 3.560 40 0 FHABRO O=C(C1CCCC1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355176 571182372 /nfs/dbraw/zinc/18/23/72/571182372.db2.gz UABDZRKSNAQVDM-SFHVURJKSA-N 1 0 355.526 3.517 40 0 FHABRO Nc1cc(-c2c[nH]nc2[C@H]2CCCC[N@@H+]2CCOc2ccccc2)ccn1 ZINC000072357477 571182806 /nfs/dbraw/zinc/18/28/06/571182806.db2.gz ABUAFNMQCNPAGQ-LJQANCHMSA-N 1 0 363.465 3.660 40 0 FHABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358580 571183627 /nfs/dbraw/zinc/18/36/27/571183627.db2.gz KHIREWVLUXHSMH-IBGZPJMESA-N 1 0 360.461 3.927 40 0 FHABRO COc1cc(C)ccc1C[NH+]1CCC([C@]2(C)CCCCN(C)C2=O)CC1 ZINC000072371995 571185285 /nfs/dbraw/zinc/18/52/85/571185285.db2.gz GVRIZBLUFDHEKS-QFIPXVFZSA-N 1 0 358.526 3.864 40 0 FHABRO Cc1cccc(Nc2ccc(C3CC[NH+](Cc4ccnn4C)CC3)nc2)n1 ZINC000072374255 571185362 /nfs/dbraw/zinc/18/53/62/571185362.db2.gz XVMUXSJOOBDHFY-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO c1ccc(CC[N@@H+]2CCCC[C@H]2c2ccnc(Nc3cnccn3)n2)cc1 ZINC000072377574 571186589 /nfs/dbraw/zinc/18/65/89/571186589.db2.gz CACKBWCWLXHDQT-IBGZPJMESA-N 1 0 360.465 3.780 40 0 FHABRO Cc1cccnc1Nc1nccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072377634 571186602 /nfs/dbraw/zinc/18/66/02/571186602.db2.gz AGMKHWWJXPODCX-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO CCOc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000257330921 571216459 /nfs/dbraw/zinc/21/64/59/571216459.db2.gz XQPLZJZQYOWTNX-CBGDNZLLSA-N 1 0 367.493 3.717 40 0 FHABRO Cc1cccc(C[N@H+]2Cc3cccn3C[C@@H](CCNc3ccccn3)C2)n1 ZINC000585095541 571220281 /nfs/dbraw/zinc/22/02/81/571220281.db2.gz VVJLVDKMOAPTJK-IBGZPJMESA-N 1 0 361.493 3.721 40 0 FHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)c1 ZINC000585105546 571223641 /nfs/dbraw/zinc/22/36/41/571223641.db2.gz ZJXQDHFDFMUALZ-IBGZPJMESA-N 1 0 356.466 3.653 40 0 FHABRO c1c[nH]c(-c2cnc(C[C@@H]3CCC[N@H+](Cc4c[nH]c5ccccc45)C3)cn2)n1 ZINC000585182389 571238341 /nfs/dbraw/zinc/23/83/41/571238341.db2.gz GDKRSPIFVNRRAP-INIZCTEOSA-N 1 0 372.476 3.803 40 0 FHABRO Cc1ccc([C@@H](NC(=O)CC[N@H+]2CCCC[C@H]2C)c2cccnc2)cc1 ZINC000248138438 571291216 /nfs/dbraw/zinc/29/12/16/571291216.db2.gz DSPBPKLMHZTKCQ-XMSQKQJNSA-N 1 0 351.494 3.860 40 0 FHABRO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000009062800 571302377 /nfs/dbraw/zinc/30/23/77/571302377.db2.gz FZUHASPTLJGGBO-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2ccc(OCCOC)cc2)C2(C1)CCCCC2 ZINC000019703796 571304431 /nfs/dbraw/zinc/30/44/31/571304431.db2.gz FDCYICYIILUPOO-IBGZPJMESA-N 1 0 374.525 3.581 40 0 FHABRO CCn1cc(C[N@@H+]2CC[C@@H]3[C@H]2CCCCN3C(C)=O)c2cc(OC)ccc21 ZINC000019712469 571304584 /nfs/dbraw/zinc/30/45/84/571304584.db2.gz SBNKCWHRQJTTCB-FGZHOGPDSA-N 1 0 369.509 3.645 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccn[nH]3)[C@H](c3ccccc3)C[C@@]21C ZINC000019713500 571304846 /nfs/dbraw/zinc/30/48/46/571304846.db2.gz JNJABDTXAHWOEF-ZJOUEHCJSA-N 1 0 352.482 3.630 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1cccc(F)c1 ZINC000019712813 571327117 /nfs/dbraw/zinc/32/71/17/571327117.db2.gz GNFSNMFZHAXOJR-VWPQPMDRSA-N 1 0 370.443 3.992 40 0 FHABRO COc1ccc(CC[NH2+]Cc2cc3cccc(C(C)C)c3[nH]c2=O)cc1 ZINC000013998823 210180898 /nfs/dbraw/zinc/18/08/98/210180898.db2.gz UDXPCMPPCIVDIP-UHFFFAOYSA-N 1 0 350.462 3.992 40 0 FHABRO [NH3+]C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218646792 222685629 /nfs/dbraw/zinc/68/56/29/222685629.db2.gz BRRGQCIVCSWALV-OWCLPIDISA-N 1 0 356.274 3.508 40 0 FHABRO O=C1O[C@@H](CC[NH+]2CCCCC2)OC1(c1ccccc1)c1ccccc1 ZINC000002017397 210075694 /nfs/dbraw/zinc/07/56/94/210075694.db2.gz DXSUDONPFZKWOO-HXUWFJFHSA-N 1 0 351.446 3.706 40 0 in-man FHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306140093 210056374 /nfs/dbraw/zinc/05/63/74/210056374.db2.gz UJSWDGJEVQNVBP-DEOSSOPVSA-N 1 0 370.500 3.949 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306130583 210052254 /nfs/dbraw/zinc/05/22/54/210052254.db2.gz JKEKAIABMRVISL-XMMPIXPASA-N 1 0 370.500 3.949 40 0 FHABRO Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccc2)C(=O)c2cccn23)c1 ZINC000306126958 210051213 /nfs/dbraw/zinc/05/12/13/210051213.db2.gz FJZVLXOGDOPUTC-PKTZIBPZSA-N 1 0 371.484 3.878 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1cccs1 ZINC000306129277 210050551 /nfs/dbraw/zinc/05/05/51/210050551.db2.gz HZESFJZYERNBNZ-MSOLQXFVSA-N 1 0 369.515 3.693 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306135035 210054574 /nfs/dbraw/zinc/05/45/74/210054574.db2.gz OFJYNVBZIDFYAS-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H]3Cc4ncc(-c5ccccc5)n4C[C@H]3C2)cc1 ZINC000306134159 210054104 /nfs/dbraw/zinc/05/41/04/210054104.db2.gz NEULACFYEOXMDG-VQTJNVASSA-N 1 0 359.473 3.863 40 0 FHABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@H+](Cc3ccoc3)C2)c2ncccc21 ZINC000306125837 210048617 /nfs/dbraw/zinc/04/86/17/210048617.db2.gz DDMDOYMIOFHGLS-FQEVSTJZSA-N 1 0 365.458 3.540 40 0 FHABRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689961 210046198 /nfs/dbraw/zinc/04/61/98/210046198.db2.gz OOGFLUIOEMMFGW-PXXWCDJASA-N 1 0 365.558 3.612 40 0 FHABRO CC1(C)CCCC(C)(C)[NH+]1C[C@@H](O)COCCOc1ccc(F)cc1 ZINC000041690236 210046278 /nfs/dbraw/zinc/04/62/78/210046278.db2.gz YNNYDKWLKIMXDU-QGZVFWFLSA-N 1 0 353.478 3.625 40 0 FHABRO O=C(CSCc1ccccc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224514974 222814957 /nfs/dbraw/zinc/81/49/57/222814957.db2.gz NCFBZBJIHZBWSC-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791400 222820300 /nfs/dbraw/zinc/82/03/00/222820300.db2.gz LAHUWXWGDVGGKP-HXUWFJFHSA-N 1 0 370.468 3.895 40 0 FHABRO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225618306 222854516 /nfs/dbraw/zinc/85/45/16/222854516.db2.gz DBINZVPVVQBIRD-HXUWFJFHSA-N 1 0 350.503 3.941 40 0 FHABRO CCN(CC)C(=O)Cn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 ZINC000004932962 219626441 /nfs/dbraw/zinc/62/64/41/219626441.db2.gz JMQIUTULSXUGLC-UHFFFAOYSA-N 1 0 362.497 3.813 40 0 FHABRO Cc1c(C)n(CCC(=O)N2CC[C@H]3[NH2+]CCCCC[C@@H]32)c2ccccc12 ZINC000257289462 223052015 /nfs/dbraw/zinc/05/20/15/223052015.db2.gz PYTHFGKGHPOFEF-CTNGQTDRSA-N 1 0 353.510 3.781 40 0 FHABRO Cc1cc(-c2nccn2C)nc(C2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000257292554 223053380 /nfs/dbraw/zinc/05/33/80/223053380.db2.gz QMBWAKIBXINLBT-UHFFFAOYSA-N 1 0 353.495 3.627 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@H]2CCC[N@H+](Cc3ccnc(C)n3)C2)nc1 ZINC000257318913 223064281 /nfs/dbraw/zinc/06/42/81/223064281.db2.gz VPYCXBQLSHAOLA-SFHVURJKSA-N 1 0 363.465 3.831 40 0 FHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000020109158 211267875 /nfs/dbraw/zinc/26/78/75/211267875.db2.gz VOMXXWGXVLMCSP-MRXNPFEDSA-N 1 0 350.528 3.558 40 0 FHABRO C[C@@H](NC(=O)CC1CC[NH+](CCc2ccccc2)CC1)c1ccccn1 ZINC000019748823 211253579 /nfs/dbraw/zinc/25/35/79/211253579.db2.gz CNIROYVPGBIZEA-GOSISDBHSA-N 1 0 351.494 3.604 40 0 FHABRO CCOc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715686 211249685 /nfs/dbraw/zinc/24/96/85/211249685.db2.gz YECSPGFDSNKOID-LJQANCHMSA-N 1 0 373.522 3.716 40 0 FHABRO CCc1cc(C(=O)Nc2ccccc2C[NH+]2CCCC2)c2c(C)noc2n1 ZINC000019714504 211247402 /nfs/dbraw/zinc/24/74/02/211247402.db2.gz MGBHXXHKJFSUSC-UHFFFAOYSA-N 1 0 364.449 3.942 40 0 FHABRO O=c1cc([C@@H]2CCCC[N@@H+]2Cc2cccs2)nc(-c2ccccn2)[nH]1 ZINC000019402758 211222118 /nfs/dbraw/zinc/22/21/18/211222118.db2.gz APVVLQULSOTBME-KRWDZBQOSA-N 1 0 352.463 3.621 40 0 FHABRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1OC ZINC000019568094 211234843 /nfs/dbraw/zinc/23/48/43/211234843.db2.gz OSRNHQOTSSDUPX-RBUKOAKNSA-N 1 0 363.461 3.810 40 0 FHABRO Cc1nn(C[C@H](C)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(C)c1C ZINC000019557001 211233026 /nfs/dbraw/zinc/23/30/26/211233026.db2.gz KIBRCUFPGMSWJY-HNNXBMFYSA-N 1 0 354.498 3.679 40 0 FHABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](c2nc(C)c(C)c(=O)[nH]2)C1 ZINC000019555334 211230188 /nfs/dbraw/zinc/23/01/88/211230188.db2.gz DWHYSMHWQOCZDL-AHKGRUIUSA-N 1 0 353.466 3.700 40 0 FHABRO CCn1ncc(C[N@@H+]2CCC[C@@H](n3c(=O)oc4ccc(Cl)cc43)C2)c1C ZINC000019523946 211227324 /nfs/dbraw/zinc/22/73/24/211227324.db2.gz JWMRCXRDNMZIGM-MRXNPFEDSA-N 1 0 374.872 3.610 40 0 FHABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1 ZINC000019503710 211226160 /nfs/dbraw/zinc/22/61/60/211226160.db2.gz HFHRPVHQUFIMAJ-OAHLLOKOSA-N 1 0 361.873 3.847 40 0 FHABRO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2[NH2+]Cc2cnc(C)nc2)cc1OC ZINC000019287277 211211917 /nfs/dbraw/zinc/21/19/17/211211917.db2.gz NVDHWQJIGBHMKE-GPHNJDIKSA-N 1 0 367.493 3.864 40 0 FHABRO Cc1nccc(-c2cccc(-c3noc(C[N@H+]4C[C@H](C)C[C@H](C)C4)n3)c2)n1 ZINC000019287580 211211244 /nfs/dbraw/zinc/21/12/44/211211244.db2.gz NWFZKQYGFRSRAS-GASCZTMLSA-N 1 0 363.465 3.980 40 0 FHABRO Cc1cnc(-c2nnc([C@@H]3CC[N@@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000019239176 211210229 /nfs/dbraw/zinc/21/02/29/211210229.db2.gz AWTSEQYHNYKIBH-GOSISDBHSA-N 1 0 363.465 3.948 40 0 FHABRO COc1cc(C)ccc1CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019134054 211203952 /nfs/dbraw/zinc/20/39/52/211203952.db2.gz NXHWDADDGXBMCK-HXUWFJFHSA-N 1 0 366.509 3.509 40 0 FHABRO COc1ccc(C)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000019133239 211203666 /nfs/dbraw/zinc/20/36/66/211203666.db2.gz DOQGQOKEQZDWNL-QIDMFYOTSA-N 1 0 352.478 3.518 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019081981 211202696 /nfs/dbraw/zinc/20/26/96/211202696.db2.gz JZQPUGTZEMYQPR-FXAWDEMLSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccccc2)Cc2ccncc2)on1 ZINC000019120637 211201861 /nfs/dbraw/zinc/20/18/61/211201861.db2.gz LRBQXWOYVITLSC-IFMALSPDSA-N 1 0 363.461 3.638 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019081989 211201189 /nfs/dbraw/zinc/20/11/89/211201189.db2.gz WTBFKTLBPMKSLY-AZUAARDMSA-N 1 0 366.509 3.592 40 0 FHABRO CCn1c(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cnc1SC ZINC000019524181 220266226 /nfs/dbraw/zinc/26/62/26/220266226.db2.gz YUXOGBZWGVUDIA-OAHLLOKOSA-N 1 0 355.511 3.881 40 0 FHABRO Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)CCC4)CC2)c1 ZINC000012292588 210935449 /nfs/dbraw/zinc/93/54/49/210935449.db2.gz CIUFZPWETZAFBZ-JOCHJYFZSA-N 1 0 351.490 3.501 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)c(C)c1C ZINC000001710835 210367940 /nfs/dbraw/zinc/36/79/40/210367940.db2.gz HUVRSIKOCHSJIY-HSZRJFAPSA-N 1 0 369.505 3.733 40 0 FHABRO CC[N@@H+]1CCC[C@H](SC(=O)C(O)(c2ccccc2)c2ccccc2)C1 ZINC000001710820 210367272 /nfs/dbraw/zinc/36/72/72/210367272.db2.gz ZFXCYBWAFFMYAB-IBGZPJMESA-N 1 0 355.503 3.667 40 0 FHABRO CCn1c(CNc2ccc(F)cc2)nnc1SCC[NH+]1CCCCC1 ZINC000000873970 210284728 /nfs/dbraw/zinc/28/47/28/210284728.db2.gz XVUFPWQPHVNMTC-UHFFFAOYSA-N 1 0 363.506 3.627 40 0 FHABRO Cc1cccc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC000096073280 132218178 /nfs/dbraw/zinc/21/81/78/132218178.db2.gz HEQBTKKOHXGJFS-FQEVSTJZSA-N 1 0 351.494 3.650 40 0 FHABRO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(c3ncccn3)CC2)[nH+]1 ZINC000257315044 132297253 /nfs/dbraw/zinc/29/72/53/132297253.db2.gz UZRPOHBLAHTKCH-UHFFFAOYSA-N 1 0 364.428 3.842 40 0 FHABRO Cc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NC2CCCC2)[nH+]1 ZINC000329021371 132372630 /nfs/dbraw/zinc/37/26/30/132372630.db2.gz OGTAECQCEKGKKQ-AWEZNQCLSA-N 1 0 352.482 3.756 40 0 FHABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(NCCCO)[nH+]1 ZINC000329067743 132373329 /nfs/dbraw/zinc/37/33/29/132373329.db2.gz YKOWNBBATNVECA-UHFFFAOYSA-N 1 0 360.889 3.610 40 0 FHABRO Cc1nc(C2CC[NH+](CC(C)C)CC2)nc2c1CCC(=O)N2C1CCCC1 ZINC000072371156 136144817 /nfs/dbraw/zinc/14/48/17/136144817.db2.gz YONMRLJNQSDODM-UHFFFAOYSA-N 1 0 370.541 3.842 40 0 FHABRO Cc1[nH]c2cc(C)ccc2c1[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019219632 136152151 /nfs/dbraw/zinc/15/21/51/136152151.db2.gz MUQIAGNRNAKROX-OAQYLSRUSA-N 1 0 367.468 3.779 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC000096100330 222023219 /nfs/dbraw/zinc/02/32/19/222023219.db2.gz LDBSWOLVSXXEFB-HSZRJFAPSA-N 1 0 362.473 3.596 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)s1 ZINC000096100287 222023242 /nfs/dbraw/zinc/02/32/42/222023242.db2.gz FXKVEMRSBKBBOO-LJQANCHMSA-N 1 0 354.519 3.895 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)s1 ZINC000096047877 222000088 /nfs/dbraw/zinc/00/00/88/222000088.db2.gz HGUHSELATNMKKN-GOSISDBHSA-N 1 0 358.507 3.792 40 0 FHABRO CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)c2ccccc21 ZINC000096052563 222002517 /nfs/dbraw/zinc/00/25/17/222002517.db2.gz VCDZIDAUHMHVOO-MRXNPFEDSA-N 1 0 354.519 3.905 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053127 222003014 /nfs/dbraw/zinc/00/30/14/222003014.db2.gz ZAPFFLNVLJRIAD-LJQANCHMSA-N 1 0 368.521 3.714 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053128 222003693 /nfs/dbraw/zinc/00/36/93/222003693.db2.gz ZAPFFLNVLJRIAD-IBGZPJMESA-N 1 0 368.521 3.714 40 0 FHABRO CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096055905 222006080 /nfs/dbraw/zinc/00/60/80/222006080.db2.gz SFVMHYUDOPOOII-PXNSSMCTSA-N 1 0 364.555 3.542 40 0 FHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(C)s3)C[C@@H]12 ZINC000096100384 222022045 /nfs/dbraw/zinc/02/20/45/222022045.db2.gz ITLKYKOGCOJECH-RTWAWAEBSA-N 1 0 354.519 3.821 40 0 FHABRO O=C1N(CC2CC2)[C@H](c2ccccc2)C12CC[NH+](Cc1ccoc1)CC2 ZINC000096100262 222022742 /nfs/dbraw/zinc/02/27/42/222022742.db2.gz RPKPOLMQFOLRDA-HXUWFJFHSA-N 1 0 350.462 3.855 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244252 222099156 /nfs/dbraw/zinc/09/91/56/222099156.db2.gz TUZZMOQXBJRJCD-HSZRJFAPSA-N 1 0 372.472 3.521 40 0 FHABRO CC1=N[C@@]2(CC[C@@H]3C[N@H+](Cc4cccc(Cl)c4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261480 222104929 /nfs/dbraw/zinc/10/49/29/222104929.db2.gz AXDHLWGTGGAFDT-SLYNCCJLSA-N 1 0 371.912 3.591 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)cs1 ZINC000096209410 222079700 /nfs/dbraw/zinc/07/97/00/222079700.db2.gz VFAJADJWECPXPX-LJQANCHMSA-N 1 0 358.507 3.731 40 0 FHABRO [NH3+]Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Br)c1 ZINC000098211090 222230826 /nfs/dbraw/zinc/23/08/26/222230826.db2.gz PNFUEKLDBBYYTI-MRVPVSSYSA-N 1 0 368.071 3.711 40 0 FHABRO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](CCc1ccccc1)C3 ZINC000100724307 222250683 /nfs/dbraw/zinc/25/06/83/222250683.db2.gz GBZXJMXXOMETGI-UHFFFAOYSA-N 1 0 374.444 3.604 40 0 FHABRO Cc1ccc([C@@H](CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000102683667 222303824 /nfs/dbraw/zinc/30/38/24/222303824.db2.gz ALGBIQNSNSQKKV-ONCXSQPRSA-N 1 0 354.494 3.955 40 0 FHABRO C[C@H]1CCCCN1C(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000005625736 263342242 /nfs/dbraw/zinc/34/22/42/263342242.db2.gz MOXRYBHQKVVXBZ-AWEZNQCLSA-N 1 0 374.916 3.797 40 0 FHABRO C[NH2+]CCCNCc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000007539994 263351901 /nfs/dbraw/zinc/35/19/01/263351901.db2.gz OZAOHRSDHGNXPZ-UHFFFAOYSA-N 1 0 354.903 3.688 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000010544199 263366389 /nfs/dbraw/zinc/36/63/89/263366389.db2.gz LAAWTQWCUMQMCT-SFHVURJKSA-N 1 0 352.544 3.545 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1 ZINC000010543019 263366508 /nfs/dbraw/zinc/36/65/08/263366508.db2.gz ZRQJMLKEEMXPRL-INIZCTEOSA-N 1 0 353.304 3.834 40 0 FHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@H](C)c3cccs3)cc12 ZINC000012186432 263369739 /nfs/dbraw/zinc/36/97/39/263369739.db2.gz SMFUTYDVCQQXJQ-CQSZACIVSA-N 1 0 364.474 3.935 40 0 FHABRO C[C@]12C[C@@H](c3ccccc3F)[N@H+](Cc3cccnc3)[C@H]1CCCC(=O)N2 ZINC000257285375 534189495 /nfs/dbraw/zinc/18/94/95/534189495.db2.gz PGUFLWGKPWBKGT-ZJOUEHCJSA-N 1 0 353.441 3.595 40 0 FHABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCC[NH+](C)C)c1O)OC2(C)C ZINC000257211001 534201747 /nfs/dbraw/zinc/20/17/47/534201747.db2.gz BXBNXDKXJPOWEK-DJIMGWMZSA-N 1 0 374.525 3.765 40 0 FHABRO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccccn4)C3)n[nH]2)cc1 ZINC000257228303 534486417 /nfs/dbraw/zinc/48/64/17/534486417.db2.gz FTIJUPAGJYQFJM-OAHLLOKOSA-N 1 0 352.413 3.512 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 ZINC000020110525 520753811 /nfs/dbraw/zinc/75/38/11/520753811.db2.gz NNJGDAUVVZMORF-MRXNPFEDSA-N 1 0 356.466 3.943 40 0 FHABRO C[NH+]1CCC(Oc2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000078578670 523782499 /nfs/dbraw/zinc/78/24/99/523782499.db2.gz LRUMISHUXWFSKS-UHFFFAOYSA-N 1 0 358.869 3.743 40 0 FHABRO C[NH+](C)CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 ZINC000020105314 524056767 /nfs/dbraw/zinc/05/67/67/524056767.db2.gz KHPWGTWKCJAUHB-UHFFFAOYSA-N 1 0 358.507 3.539 40 0 FHABRO COc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020488635 524066415 /nfs/dbraw/zinc/06/64/15/524066415.db2.gz UUAORFVPEMTLKU-KRWDZBQOSA-N 1 0 352.478 3.857 40 0 FHABRO COc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020456990 524481924 /nfs/dbraw/zinc/48/19/24/524481924.db2.gz SYHJOSMLLOPLMK-QGZVFWFLSA-N 1 0 352.478 3.857 40 0 FHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](CC4CCOCC4)[C@@H]3C[C@H]21 ZINC000257250221 527816736 /nfs/dbraw/zinc/81/67/36/527816736.db2.gz JLPHBOQWTOCTDJ-UKAVVXHISA-N 1 0 357.494 3.805 40 0 FHABRO CC(C)c1cc(C(=O)N2CCC[C@@H]2c2nccc(C[NH+](C)C)n2)cs1 ZINC000257258019 528018736 /nfs/dbraw/zinc/01/87/36/528018736.db2.gz KSBFDIMPSHXPOK-MRXNPFEDSA-N 1 0 358.511 3.700 40 0 FHABRO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)cn1 ZINC000035425170 560080359 /nfs/dbraw/zinc/08/03/59/560080359.db2.gz JQKYMWLGPHUQSY-KRWDZBQOSA-N 1 0 371.485 3.660 40 0 biogenic,in-vitro FHABRO O=S(=O)(NCCC[NH+]1CCCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000216232699 568113771 /nfs/dbraw/zinc/11/37/71/568113771.db2.gz YGSULZSMLOXPMR-UHFFFAOYSA-N 1 0 374.506 3.633 40 0 FHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000223248832 568630294 /nfs/dbraw/zinc/63/02/94/568630294.db2.gz MPBJWBUESNKRTF-SFHVURJKSA-N 1 0 358.526 3.715 40 0 FHABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000223253164 568630643 /nfs/dbraw/zinc/63/06/43/568630643.db2.gz ALPTYUYMOUNOGP-XMSQKQJNSA-N 1 0 372.553 3.961 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)s1 ZINC000096047043 570473290 /nfs/dbraw/zinc/47/32/90/570473290.db2.gz GLVFMGXWLDBOFY-HXUWFJFHSA-N 1 0 355.507 3.580 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccncc3)CC2)N1Cc1cccc(F)c1 ZINC000096047561 570473543 /nfs/dbraw/zinc/47/35/43/570473543.db2.gz XAWAHFMTHJRZMD-QFIPXVFZSA-N 1 0 367.468 3.768 40 0 FHABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000096047301 570473609 /nfs/dbraw/zinc/47/36/09/570473609.db2.gz CPNICPMPDCTSOU-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO O=C(Cc1cccnc1)N1CCC2(CC1)CC[NH+](Cc1ccsc1)CC2 ZINC000096047328 570473890 /nfs/dbraw/zinc/47/38/90/570473890.db2.gz OJRCDZMDDKVAGT-UHFFFAOYSA-N 1 0 369.534 3.590 40 0 FHABRO CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]2[C@@H]1CCC[N@@H+]2Cc1ccccc1 ZINC000585261174 570480472 /nfs/dbraw/zinc/48/04/72/570480472.db2.gz ZNEKIJOJQLLFAI-FKBYEOEOSA-N 1 0 352.453 3.805 40 0 FHABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](Cc3ccc(O)cc3)CC2)c1 ZINC000585271861 570486329 /nfs/dbraw/zinc/48/63/29/570486329.db2.gz DRFLUGIAMMSQFB-UHFFFAOYSA-N 1 0 361.869 3.760 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2C)[C@H](Cc2ccccc2)C1 ZINC000585283853 570493557 /nfs/dbraw/zinc/49/35/57/570493557.db2.gz CUHPGHWBBPKNAM-PKTZIBPZSA-N 1 0 350.506 3.873 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@H](Cc2ccccc2)C1 ZINC000585286489 570494607 /nfs/dbraw/zinc/49/46/07/570494607.db2.gz RSGUZMBBRNDXIQ-NQIIRXRSSA-N 1 0 358.432 3.534 40 0 FHABRO COc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H](Oc2cccc(C)c2)[C@@H]1O ZINC000585289530 570495602 /nfs/dbraw/zinc/49/56/02/570495602.db2.gz RCVRIUKGRVEMMM-KSEOMHKRSA-N 1 0 355.478 3.796 40 0 FHABRO C[N@H+](C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2)C1CCCCC1 ZINC000226072377 570610835 /nfs/dbraw/zinc/61/08/35/570610835.db2.gz CMDQADNQFUBQEP-OTNIWXAGSA-N 1 0 365.558 3.614 40 0 FHABRO Cc1ccc(OCC2(O)CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)c(C)c1 ZINC000257233535 570627324 /nfs/dbraw/zinc/62/73/24/570627324.db2.gz GPQHZRAQJDZASO-UHFFFAOYSA-N 1 0 365.477 3.586 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC(=O)NC4CCCCC4)CC3)[nH]c2cc1C ZINC000035292235 570638455 /nfs/dbraw/zinc/63/84/55/570638455.db2.gz SZDHTULTPOQJAR-UHFFFAOYSA-N 1 0 368.525 3.808 40 0 FHABRO CCn1c(COc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCC1 ZINC000004936945 570673304 /nfs/dbraw/zinc/67/33/04/570673304.db2.gz GFDOECVVCMFQJN-UHFFFAOYSA-N 1 0 366.918 3.718 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007923796 570675088 /nfs/dbraw/zinc/67/50/88/570675088.db2.gz VHJMNZFCLAMXRT-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO C=C1[NH+]=C(SC)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408989429 570708128 /nfs/dbraw/zinc/70/81/28/570708128.db2.gz KSOBTRRDFNWWHU-CYBMUJFWSA-N 1 0 369.284 3.650 40 0 FHABRO CC(C)Oc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1 ZINC000012135026 570720574 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FHABRO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@@H+](Cc2cccc(OC)c2)C3)cc1 ZINC000012238575 570730474 /nfs/dbraw/zinc/73/04/74/570730474.db2.gz QGRPGBNUSPWUCE-DETIRCLXSA-N 1 0 367.489 3.824 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000012293067 570732788 /nfs/dbraw/zinc/73/27/88/570732788.db2.gz ZDSJXVXGWLUCJT-MRXNPFEDSA-N 1 0 353.462 3.502 40 0 FHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(Cl)cc1 ZINC000012329736 570737344 /nfs/dbraw/zinc/73/73/44/570737344.db2.gz AFKAZPMURQQVBP-OALUTQOASA-N 1 0 373.880 3.724 40 0 FHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)cc1 ZINC000012329731 570737376 /nfs/dbraw/zinc/73/73/76/570737376.db2.gz AFKAZPMURQQVBP-RTBURBONSA-N 1 0 373.880 3.724 40 0 FHABRO O=C(c1ncoc1-c1ccccc1F)N1CC[NH+](C2CCCCC2)CC1 ZINC000012338298 570738137 /nfs/dbraw/zinc/73/81/37/570738137.db2.gz YPMXFBNERHDVGN-UHFFFAOYSA-N 1 0 357.429 3.571 40 0 FHABRO Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000012360891 570738750 /nfs/dbraw/zinc/73/87/50/570738750.db2.gz VRCKLBIYELYSPO-QGZVFWFLSA-N 1 0 357.473 3.635 40 0 FHABRO Cn1c2ccc(C[NH2+]C3(c4ccc(Cl)cc4)CCC3)cc2n(C)c1=O ZINC000012361791 570738756 /nfs/dbraw/zinc/73/87/56/570738756.db2.gz KWFKZTMJROABJG-UHFFFAOYSA-N 1 0 355.869 3.699 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1 ZINC000006629905 570783901 /nfs/dbraw/zinc/78/39/01/570783901.db2.gz KONDOZVHJFKRTG-UHFFFAOYSA-N 1 0 359.470 3.794 40 0 FHABRO Cc1[nH]c2ccc(F)cc2c1[C@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019581444 570895313 /nfs/dbraw/zinc/89/53/13/570895313.db2.gz ZFQBNEIRDOSWPJ-HXUWFJFHSA-N 1 0 371.431 3.610 40 0 FHABRO Cc1[nH]c2ccc(F)cc2c1[C@@H](O)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019581442 570895353 /nfs/dbraw/zinc/89/53/53/570895353.db2.gz ZFQBNEIRDOSWPJ-FQEVSTJZSA-N 1 0 371.431 3.610 40 0 FHABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000224117739 570977410 /nfs/dbraw/zinc/97/74/10/570977410.db2.gz ZKOLUVHLMIHZGV-UHFFFAOYSA-N 1 0 362.524 3.887 40 0 FHABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224791225 571000982 /nfs/dbraw/zinc/00/09/82/571000982.db2.gz KLGDUGMOKMOYAD-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Cl ZINC000224801968 571001448 /nfs/dbraw/zinc/00/14/48/571001448.db2.gz NBRDYXBKYFEVAL-UHFFFAOYSA-N 1 0 358.869 3.874 40 0 FHABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000225231747 571023005 /nfs/dbraw/zinc/02/30/05/571023005.db2.gz IZNCTMWVLHYUBX-UHFFFAOYSA-N 1 0 374.941 3.994 40 0 FHABRO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000225618341 571050196 /nfs/dbraw/zinc/05/01/96/571050196.db2.gz DBINZVPVVQBIRD-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225643721 571052200 /nfs/dbraw/zinc/05/22/00/571052200.db2.gz NJAJLLUCINIMFQ-OAQYLSRUSA-N 1 0 360.498 3.551 40 0 FHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccccc3F)cc2)CC1 ZINC000225772353 571064407 /nfs/dbraw/zinc/06/44/07/571064407.db2.gz LCWZOHKIVWWVSX-UHFFFAOYSA-N 1 0 373.497 3.785 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@@H+](CC[C@H](C)c4ccc(C)o4)C3)cc(N)n2n1 ZINC000036719059 571081345 /nfs/dbraw/zinc/08/13/45/571081345.db2.gz YBOGQKCZIQEJOG-YOEHRIQHSA-N 1 0 367.497 3.895 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)C1 ZINC000036741256 571081426 /nfs/dbraw/zinc/08/14/26/571081426.db2.gz DWGDIURVIOMZOG-VGSWGCGISA-N 1 0 370.537 3.921 40 0 FHABRO S=C(Nc1ccccc1Cl)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222016 571101565 /nfs/dbraw/zinc/10/15/65/571101565.db2.gz WVAWOFBGSPBPTH-UHFFFAOYSA-N 1 0 360.914 3.686 40 0 FHABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1CCCCCC1 ZINC000044843909 571102478 /nfs/dbraw/zinc/10/24/78/571102478.db2.gz LUZAKEMNPZUGAP-QGZVFWFLSA-N 1 0 352.906 3.880 40 0 FHABRO C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000260772315 571122504 /nfs/dbraw/zinc/12/25/04/571122504.db2.gz NITPBPHDNPWEKE-MDASCCDHSA-N 1 0 361.474 3.857 40 0 FHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812421 571123276 /nfs/dbraw/zinc/12/32/76/571123276.db2.gz BFBBFILPLDMGKM-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1cccc(COC[C@@H]2C[C@@H]3OCCN(Cc4cccs4)[C@H]3C2)n1 ZINC000247882719 571126305 /nfs/dbraw/zinc/12/63/05/571126305.db2.gz RWFYWQODYLASQT-VDGAXYAQSA-N 1 0 358.507 3.648 40 0 FHABRO Cc1ccsc1CN1Cc2cncn2[C@@H](COCc2csc(C)n2)C1 ZINC000248038912 571127312 /nfs/dbraw/zinc/12/73/12/571127312.db2.gz OGEKYLZNBZCDMW-QGZVFWFLSA-N 1 0 374.535 3.792 40 0 FHABRO Cc1ccsc1CN1Cc2ccnn2[C@H](CCOCc2cccnc2)C1 ZINC000253599780 571138880 /nfs/dbraw/zinc/13/88/80/571138880.db2.gz UJJBWBTUCDTATA-LJQANCHMSA-N 1 0 368.506 3.812 40 0 FHABRO Cc1ccc2c(C(=O)N3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)csc2c1 ZINC000333296877 571148350 /nfs/dbraw/zinc/14/83/50/571148350.db2.gz PLRJPCLGXCNTQZ-QAPCUYQASA-N 1 0 358.507 3.568 40 0 FHABRO CC(C)C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330415 571178593 /nfs/dbraw/zinc/17/85/93/571178593.db2.gz KRKJPDTVPQGZFJ-APWZRJJASA-N 1 0 357.523 3.982 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 ZINC000072340117 571179345 /nfs/dbraw/zinc/17/93/45/571179345.db2.gz WUUMNUCJLPRFHG-HNNXBMFYSA-N 1 0 367.453 3.905 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cc1 ZINC000072340972 571179350 /nfs/dbraw/zinc/17/93/50/571179350.db2.gz HPMXDWWNRHTGIO-ZEYPLWLESA-N 1 0 367.489 3.824 40 0 FHABRO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)c1 ZINC000072340975 571179529 /nfs/dbraw/zinc/17/95/29/571179529.db2.gz HYMIIRVRJSDLIF-AAIMPIBUSA-N 1 0 367.489 3.824 40 0 FHABRO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2C2CCCC2)cc1C(F)(F)F ZINC000072355972 571182512 /nfs/dbraw/zinc/18/25/12/571182512.db2.gz JBAQVYLEWIMHEY-QGZVFWFLSA-N 1 0 355.404 3.816 40 0 FHABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072358616 571183502 /nfs/dbraw/zinc/18/35/02/571183502.db2.gz YAWPRVUNKHRCBJ-KRWDZBQOSA-N 1 0 360.461 3.927 40 0 FHABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)nc1 ZINC000072377621 571186678 /nfs/dbraw/zinc/18/66/78/571186678.db2.gz YHWVUCGNDKACPW-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[NH2+]CCCC(N)=O ZINC000584577250 571186890 /nfs/dbraw/zinc/18/68/90/571186890.db2.gz TXKVQQWAWCREDG-BLJNDDSPSA-N 1 0 374.569 3.822 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccsc3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392830 571190217 /nfs/dbraw/zinc/19/02/17/571190217.db2.gz MKYMDUCLULAPPA-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO Cn1cc([C@@H]2CN(Cc3cccc(F)c3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395133 571190261 /nfs/dbraw/zinc/19/02/61/571190261.db2.gz REVVXMWGHLAAON-RBBKRZOGSA-N 1 0 351.469 3.847 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3cccc(F)c3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392744 571190283 /nfs/dbraw/zinc/19/02/83/571190283.db2.gz LDRPFMAJYFHMIB-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO COc1ccccc1/C=C/C[N@H+]1C[C@H]2[C@H](CC[C@]2(O)c2ncccc2C)C1 ZINC000072395305 571190777 /nfs/dbraw/zinc/19/07/77/571190777.db2.gz DHWXIFXJYZIXDS-QJURWHGDSA-N 1 0 364.489 3.641 40 0 FHABRO [NH3+]C[C@@H]1[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218645747 571212466 /nfs/dbraw/zinc/21/24/66/571212466.db2.gz CCBRIIRNEXJGBX-OWCLPIDISA-N 1 0 356.274 3.508 40 0 FHABRO Brc1cncc2nc(-c3ccccc3)n(CC[NH+]3CCCC3)c21 ZINC000096311311 571214599 /nfs/dbraw/zinc/21/45/99/571214599.db2.gz KYIVSHXLJAAKSL-UHFFFAOYSA-N 1 0 371.282 3.957 40 0 FHABRO Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585102217 571222341 /nfs/dbraw/zinc/22/23/41/571222341.db2.gz ULWIPTDSVMSXMI-VGOFRKELSA-N 1 0 374.525 3.745 40 0 FHABRO C[C@@H](c1ccccc1)[N@@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104208 571223011 /nfs/dbraw/zinc/22/30/11/571223011.db2.gz KVOGVFDFGQFHAG-JTSKRJEESA-N 1 0 368.452 3.642 40 0 FHABRO Cc1ccc(CN2CC3(C2)CC[C@@H](C[N@@H+](C)Cc2cccnc2)CO3)s1 ZINC000585105340 571223775 /nfs/dbraw/zinc/22/37/75/571223775.db2.gz UKDQCYOGZVLIJH-IBGZPJMESA-N 1 0 371.550 3.565 40 0 FHABRO FC(F)(F)c1cc(N2CC[C@@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107927 571225114 /nfs/dbraw/zinc/22/51/14/571225114.db2.gz FWTAMBMLVMHZNM-LSDHHAIUSA-N 1 0 354.420 3.586 40 0 FHABRO COc1ccc(Cl)cc1C(=O)N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000238864398 571281656 /nfs/dbraw/zinc/28/16/56/571281656.db2.gz LKVCESYFNUNTFH-GOSISDBHSA-N 1 0 370.880 3.621 40 0 FHABRO O=C(N1CC[C@@H]([N@@H+]2CCc3ccccc3C2)C1)C12CC3CC(CC(C3)C1)C2 ZINC000238943733 571281661 /nfs/dbraw/zinc/28/16/61/571281661.db2.gz WFTRZNFLHXJZFU-SOSWSAFESA-N 1 0 364.533 3.862 40 0 FHABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@H](C)C1 ZINC000248037820 571291084 /nfs/dbraw/zinc/29/10/84/571291084.db2.gz ZPDOVFWOQIPZDK-SJLPKXTDSA-N 1 0 354.498 3.961 40 0 FHABRO COc1ccc(CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C2CC[NH+](C)CC2)cc1 ZINC000248158939 571291175 /nfs/dbraw/zinc/29/11/75/571291175.db2.gz WPTAPHDKNNHVOQ-AERCQKQUSA-N 1 0 356.510 3.554 40 0 FHABRO Cc1cc(O[C@@H](C)C(=O)NCCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000010279895 571302960 /nfs/dbraw/zinc/30/29/60/571302960.db2.gz ASBUBCLQKBQXEF-INIZCTEOSA-N 1 0 352.906 3.716 40 0 FHABRO CC(C)[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@@H](C)C1 ZINC000012087359 571303386 /nfs/dbraw/zinc/30/33/86/571303386.db2.gz ZPDOVFWOQIPZDK-FUHWJXTLSA-N 1 0 354.498 3.961 40 0 FHABRO CC[NH2+][C@@H]1CN(Cc2cncn2Cc2ccccc2)C2(C1)CCCCC2 ZINC000019703846 571304421 /nfs/dbraw/zinc/30/44/21/571304421.db2.gz URGJQFNJWCHLDZ-FQEVSTJZSA-N 1 0 352.526 3.818 40 0 FHABRO C[C@]12C[C@@H](Cc3ccccc3)[NH2+][C@H]1CCCCCN2C(=O)c1ccccn1 ZINC000019713444 571304838 /nfs/dbraw/zinc/30/48/38/571304838.db2.gz YXUHZKZMNUMHNZ-NWSQWKLXSA-N 1 0 363.505 3.830 40 0 FHABRO O=C(N[C@@H]1C(=O)N[N+](=Cc2ccccc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000223599568 571307933 /nfs/dbraw/zinc/30/79/33/571307933.db2.gz WOWHACKVFSQBFN-VNPDFKGRSA-O 1 0 370.432 3.543 40 0 FHABRO [NH3+]C[C@@H]1[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242437478 571322552 /nfs/dbraw/zinc/32/25/52/571322552.db2.gz CCBRIIRNEXJGBX-PMPSAXMXSA-N 1 0 356.274 3.508 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)C[N@H+]2Cc1ccc(F)cc1 ZINC000019712633 571327132 /nfs/dbraw/zinc/32/71/32/571327132.db2.gz XLACZUYNKLAGBK-VWPQPMDRSA-N 1 0 370.443 3.992 40 0 FHABRO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063471 941406964 /nfs/dbraw/zinc/40/69/64/941406964.db2.gz ZXXGIHWMRMNJRE-UHFFFAOYSA-N 1 0 372.509 3.946 40 0 FHABRO Brc1ccc(CC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000199737731 210171554 /nfs/dbraw/zinc/17/15/54/210171554.db2.gz HBZSWJVOGQLBSV-UHFFFAOYSA-N 1 0 359.311 3.809 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3cnccn3)[C@H](c3ccccc3)C[C@@]21C ZINC000257315727 530051916 /nfs/dbraw/zinc/05/19/16/530051916.db2.gz VCNQIFXGTFATPU-ONTIZHBOSA-N 1 0 364.493 3.697 40 0 FHABRO Fc1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329058972 210132525 /nfs/dbraw/zinc/13/25/25/210132525.db2.gz WEEGZFIENNEAFH-UHFFFAOYSA-N 1 0 358.436 3.833 40 0 FHABRO COc1ccccc1CNc1cc(C2CC2)[nH+]c(NC2CCCCC2)n1 ZINC000328994379 210129135 /nfs/dbraw/zinc/12/91/35/210129135.db2.gz JCVBPKPMBJKPHP-UHFFFAOYSA-N 1 0 352.482 3.563 40 0 FHABRO C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000222592081 222741685 /nfs/dbraw/zinc/74/16/85/222741685.db2.gz NITPBPHDNPWEKE-JVPBZIDWSA-N 1 0 361.474 3.857 40 0 FHABRO c1csc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306139704 210056150 /nfs/dbraw/zinc/05/61/50/210056150.db2.gz TXYVAICYHNAMIS-SFHVURJKSA-N 1 0 357.504 3.848 40 0 FHABRO c1coc(CN2CCO[C@@H](c3nnn4cc(-c5cccs5)ccc34)C2)c1 ZINC000306139093 210055826 /nfs/dbraw/zinc/05/58/26/210055826.db2.gz SPDKEEDYXDPGLV-QGZVFWFLSA-N 1 0 366.446 3.624 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128557 210050713 /nfs/dbraw/zinc/05/07/13/210050713.db2.gz HEDYEVIKQHVCJC-HXUWFJFHSA-N 1 0 370.460 3.566 40 0 FHABRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000041689967 210046719 /nfs/dbraw/zinc/04/67/19/210046719.db2.gz OOGFLUIOEMMFGW-LHZZTNLPSA-N 1 0 365.558 3.612 40 0 FHABRO CCn1c[n+](C[C@H](O)COc2ccc(Cl)cc2)c2cc(C)c(C)cc21 ZINC000000781060 219320479 /nfs/dbraw/zinc/32/04/79/219320479.db2.gz MACUYUKUMPTZNA-KRWDZBQOSA-N 1 0 359.877 3.659 40 0 FHABRO O=C(NCCOc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224094007 222806812 /nfs/dbraw/zinc/80/68/12/222806812.db2.gz OHNYFHOMZCAEFQ-UHFFFAOYSA-N 1 0 358.869 3.745 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000225647507 222857750 /nfs/dbraw/zinc/85/77/50/222857750.db2.gz HIWKYCRLKSSLBN-IRXDYDNUSA-N 1 0 362.514 3.797 40 0 FHABRO Cc1csc(Nc2nccnc2C2CC[NH+](Cc3cncs3)CC2)n1 ZINC000257213016 223021331 /nfs/dbraw/zinc/02/13/31/223021331.db2.gz CFWQLCRPSCIPCH-UHFFFAOYSA-N 1 0 372.523 3.821 40 0 FHABRO Cc1cccc(Nc2cc([C@@H]3CCC[N@@H+](Cc4ccnn4C)C3)ccn2)n1 ZINC000257212454 223021909 /nfs/dbraw/zinc/02/19/09/223021909.db2.gz CDLPYIQXSMCMLH-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1cccnc1Nc1cc([C@@H]2CCC[N@@H+](Cc3cncn3C)C2)ccn1 ZINC000257217435 223023764 /nfs/dbraw/zinc/02/37/64/223023764.db2.gz CYXLNWKSXJWMLP-GOSISDBHSA-N 1 0 362.481 3.642 40 0 FHABRO COCC[NH+]1CCC(c2cccc(N3CC4(CCCCC4)OC3=O)n2)CC1 ZINC000257239637 223033337 /nfs/dbraw/zinc/03/33/37/223033337.db2.gz HQFBEHCZTNRIGV-UHFFFAOYSA-N 1 0 373.497 3.567 40 0 FHABRO Cc1cc(Nc2cccc(CC3CC[NH+](Cc4cccnc4)CC3)n2)n[nH]1 ZINC000257246884 223035830 /nfs/dbraw/zinc/03/58/30/223035830.db2.gz IWGXOIUMBFNTDQ-UHFFFAOYSA-N 1 0 362.481 3.706 40 0 FHABRO Cc1noc(C)c1-c1ccc([C@@H]2CCC[N@H+](Cc3cnc(C)cn3)C2)nc1 ZINC000257249718 223037569 /nfs/dbraw/zinc/03/75/69/223037569.db2.gz JJMUQAHHFBJBAY-GOSISDBHSA-N 1 0 363.465 3.831 40 0 FHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+](Cc3cn(C)cn3)C2)ccn1 ZINC000257267962 223044337 /nfs/dbraw/zinc/04/43/37/223044337.db2.gz MJSCVEIORYBXLQ-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4ccc(F)cc4)c3)[C@@H]1CCC[NH2+]2 ZINC000257313929 223061658 /nfs/dbraw/zinc/06/16/58/223061658.db2.gz UURVNHOUHVCCES-IRLDBZIGSA-N 1 0 367.468 3.558 40 0 FHABRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257327208 223066859 /nfs/dbraw/zinc/06/68/59/223066859.db2.gz XALYNQPNANNIGQ-LJQANCHMSA-N 1 0 360.461 3.749 40 0 FHABRO Cc1n[nH]c2ccc(-c3cncc(OC[C@H]([NH3+])Cc4ccccc4)c3)cc12 ZINC000016052884 220177699 /nfs/dbraw/zinc/17/76/99/220177699.db2.gz BPNUQXPIQBZCMR-LJQANCHMSA-N 1 0 358.445 3.882 40 0 in-vitro FHABRO CCCC[NH2+]Cc1ccc(O[C@H](C)C(=O)OCC)c(Br)c1 ZINC000016638897 220189258 /nfs/dbraw/zinc/18/92/58/220189258.db2.gz KTGZAMFATFPJIT-GFCCVEGCSA-N 1 0 358.276 3.669 40 0 FHABRO O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)C(Cl)(Cl)Cl ZINC000027918370 211474354 /nfs/dbraw/zinc/47/43/54/211474354.db2.gz WUTZYTVLMYGWQX-UHFFFAOYSA-N 1 0 365.688 3.860 40 0 FHABRO C[C@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000021637671 211319695 /nfs/dbraw/zinc/31/96/95/211319695.db2.gz SUNWIJWNXZZJQX-SFHVURJKSA-N 1 0 352.478 3.756 40 0 FHABRO CN(Cc1cc(CC2([NH2+]C3CCCCC3)COC2)no1)Cc1ccccc1 ZINC000067898107 211276730 /nfs/dbraw/zinc/27/67/30/211276730.db2.gz CAANNSXEUZCLPL-UHFFFAOYSA-N 1 0 369.509 3.540 40 0 biogenic,in-vitro FHABRO CC[C@@H](C[NH+]1CCCC1)n1cncc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000019719680 211250780 /nfs/dbraw/zinc/25/07/80/211250780.db2.gz CQFNADHZVVWXTF-SFHVURJKSA-N 1 0 353.445 3.922 40 0 FHABRO Cc1nn2c(nc3c(c2NCCC[NH+](C)C)CCC3)c1-c1ccc(F)cc1 ZINC000019582099 211238875 /nfs/dbraw/zinc/23/88/75/211238875.db2.gz SVJUGOHDZBVICW-UHFFFAOYSA-N 1 0 367.472 3.696 40 0 FHABRO C[NH+](C)C1CCC2(CC1)CN(C(=O)C1CCCC1)Cc1ccccc1O2 ZINC000019583973 211238142 /nfs/dbraw/zinc/23/81/42/211238142.db2.gz GYPPZVWQUYJROI-UHFFFAOYSA-N 1 0 356.510 3.841 40 0 FHABRO Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)c1 ZINC000019715692 211250025 /nfs/dbraw/zinc/25/00/25/211250025.db2.gz MPJDCGZFGLEPII-LJQANCHMSA-N 1 0 357.523 3.934 40 0 FHABRO CC[NH+](CC)C1CCN(Cc2cn(C)c3cc(OC)cc(OC)c23)CC1 ZINC000019715820 211249943 /nfs/dbraw/zinc/24/99/43/211249943.db2.gz KAFXVCPRVRPBSF-UHFFFAOYSA-N 1 0 359.514 3.502 40 0 FHABRO Cc1c(C[N@@H+]2CC[C@](O)(c3ccc(C)cc3)C2)c(-c2ccccc2)nn1C ZINC000019715877 211249477 /nfs/dbraw/zinc/24/94/77/211249477.db2.gz XPZGPHHWFOAFDS-HSZRJFAPSA-N 1 0 361.489 3.797 40 0 FHABRO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCCC2)n1 ZINC000019572887 211236213 /nfs/dbraw/zinc/23/62/13/211236213.db2.gz ZIPBHABVJLPPRW-WOJBJXKFSA-N 1 0 360.546 3.708 40 0 FHABRO CCNC(=O)[C@]1(Cc2cccc(-c3ccncc3)c2)CC[N@H+](CC2CC2)C1 ZINC000019529121 211227934 /nfs/dbraw/zinc/22/79/34/211227934.db2.gz QGAVMAKZPRFBQG-QHCPKHFHSA-N 1 0 363.505 3.529 40 0 FHABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)no2)CC1 ZINC000019496758 211226434 /nfs/dbraw/zinc/22/64/34/211226434.db2.gz YHGFANIZXWMASQ-LJQANCHMSA-N 1 0 367.493 3.926 40 0 FHABRO COc1ccc2oc(C(=O)N3CCC([NH+]4CCC(C)CC4)CC3)cc2c1 ZINC000019496838 211226085 /nfs/dbraw/zinc/22/60/85/211226085.db2.gz UWOQHKJVEDZNRW-UHFFFAOYSA-N 1 0 356.466 3.778 40 0 FHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccccc1F ZINC000019238586 211210238 /nfs/dbraw/zinc/21/02/38/211210238.db2.gz LWSUKNKFXRYKQV-UHFFFAOYSA-N 1 0 362.514 3.920 40 0 FHABRO O[C@]1(c2ccccc2)CC[N@H+](Cc2cccc(OCc3cccnc3)c2)C1 ZINC000019369775 211219258 /nfs/dbraw/zinc/21/92/58/211219258.db2.gz OOJLCXLYARXGMK-HSZRJFAPSA-N 1 0 360.457 3.754 40 0 FHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1)[C@@H]1CCCO1 ZINC000019369756 211218955 /nfs/dbraw/zinc/21/89/55/211218955.db2.gz FYNHOTYPUKCJSI-NRFANRHFSA-N 1 0 370.537 3.648 40 0 FHABRO O=C(Cc1ccc(F)cc1)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373911 211218880 /nfs/dbraw/zinc/21/88/80/211218880.db2.gz VSOUKHIPWAYKKR-MQSCRBSSSA-N 1 0 366.480 3.895 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1OC ZINC000019239390 211208594 /nfs/dbraw/zinc/20/85/94/211208594.db2.gz ZZYOUBQCQLOGQK-UHFFFAOYSA-N 1 0 366.465 3.663 40 0 FHABRO Clc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019349041 211215403 /nfs/dbraw/zinc/21/54/03/211215403.db2.gz VWKOQWXJHHMFEG-CQSZACIVSA-N 1 0 355.829 3.560 40 0 FHABRO Clc1ccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1Cl ZINC000019292964 211214367 /nfs/dbraw/zinc/21/43/67/211214367.db2.gz GIHCHPQSFCCAMF-KRWDZBQOSA-N 1 0 363.292 3.766 40 0 FHABRO O=C(C1CCCC1)N1C[C@@H]2CCCC[N@@H+](Cc3ccc(F)c(F)c3)[C@@H]2C1 ZINC000019292941 211213281 /nfs/dbraw/zinc/21/32/81/211213281.db2.gz UOOGYKDYRNTMDL-FXAWDEMLSA-N 1 0 362.464 3.968 40 0 FHABRO Cc1ccc([C@H](NC(=O)CCC[NH+]2CCCC2)c2ccncc2)cc1C ZINC000019213526 211206829 /nfs/dbraw/zinc/20/68/29/211206829.db2.gz DXVOLAFJBRDXFN-JOCHJYFZSA-N 1 0 351.494 3.780 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000013613768 211045114 /nfs/dbraw/zinc/04/51/14/211045114.db2.gz FOFNIRKYJOUSMY-KBPBESRZSA-N 1 0 353.304 3.547 40 0 FHABRO C[NH+](C)C1(CNC(=O)C23C[C@H]4C[C@H](CC(Cl)(C4)C2)C3)CCCCC1 ZINC000007990104 210764467 /nfs/dbraw/zinc/76/44/67/210764467.db2.gz VYVKAPQLOVROSA-CCZBSFLLSA-N 1 0 352.950 3.945 40 0 FHABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)c1 ZINC000257271613 533047457 /nfs/dbraw/zinc/04/74/57/533047457.db2.gz MZBDGTAVWBFCMW-CYBMUJFWSA-N 1 0 352.413 3.682 40 0 FHABRO CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cc1 ZINC000001845601 210373462 /nfs/dbraw/zinc/37/34/62/210373462.db2.gz IVBGOSVLURUGPB-LJQANCHMSA-N 1 0 352.478 3.979 40 0 FHABRO CCCC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139175 220314161 /nfs/dbraw/zinc/31/41/61/220314161.db2.gz AXRYZIGWIHHBBS-GOSISDBHSA-N 1 0 362.566 3.610 40 0 FHABRO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccccc1F ZINC000022075315 220377565 /nfs/dbraw/zinc/37/75/65/220377565.db2.gz VVSGBLVEVPOMCK-UHFFFAOYSA-N 1 0 360.473 3.845 40 0 FHABRO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1cccc2ccccc21 ZINC000022586043 220390925 /nfs/dbraw/zinc/39/09/25/220390925.db2.gz VQPNYSARBGVTPR-UHFFFAOYSA-N 1 0 351.494 3.729 40 0 FHABRO Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc4c(c3)OCO4)C2)o1 ZINC000049170558 221020504 /nfs/dbraw/zinc/02/05/04/221020504.db2.gz OPIXYQSRIMQJRG-AWEZNQCLSA-N 1 0 367.380 3.594 40 0 biogenic,in-vitro FHABRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 ZINC000225904321 132287361 /nfs/dbraw/zinc/28/73/61/132287361.db2.gz UHQHGPGPYCWLBH-QGZVFWFLSA-N 1 0 370.880 3.978 40 0 FHABRO CC(C)c1nc(NCC[NH+](C)C)cc(N2Cc3ccccc3C[C@H]2C)n1 ZINC000328996665 132372240 /nfs/dbraw/zinc/37/22/40/132372240.db2.gz JLCNDHWXRMHGGR-MRXNPFEDSA-N 1 0 353.514 3.525 40 0 FHABRO Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329026895 132372929 /nfs/dbraw/zinc/37/29/29/132372929.db2.gz POYYZHYMSBKHEU-SFHVURJKSA-N 1 0 354.498 3.512 40 0 FHABRO Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329069404 132373279 /nfs/dbraw/zinc/37/32/79/132373279.db2.gz YWXYFYQJYDJHGT-GOSISDBHSA-N 1 0 354.498 3.512 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096106753 222025052 /nfs/dbraw/zinc/02/50/52/222025052.db2.gz PPHMEFURWGYGDL-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@@H](OCc3ccccn3)CO2)CC1 ZINC000096106915 222027062 /nfs/dbraw/zinc/02/70/62/222027062.db2.gz NNKMDTWITBPKKC-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)c2ccccc21 ZINC000096052568 222003483 /nfs/dbraw/zinc/00/34/83/222003483.db2.gz LSTBPQRTGSJDGQ-KRWDZBQOSA-N 1 0 354.519 3.905 40 0 FHABRO Cc1ccc(C[N@H+]2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)s1 ZINC000096057143 222004929 /nfs/dbraw/zinc/00/49/29/222004929.db2.gz PKPYAGDVZRASTE-DBVUQKKJSA-N 1 0 360.523 3.761 40 0 FHABRO CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000096058463 222006667 /nfs/dbraw/zinc/00/66/67/222006667.db2.gz OODGUKZXVGZWRP-FGZHOGPDSA-N 1 0 352.453 3.590 40 0 FHABRO Cc1cccc(COC[C@]23CCCO[C@H]2CC[N@H+](Cc2ccoc2)C3)n1 ZINC000096065129 222011446 /nfs/dbraw/zinc/01/14/46/222011446.db2.gz KLVAJBFEZJYYIM-LEWJYISDSA-N 1 0 356.466 3.571 40 0 FHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2CCCc2ccccc2)C1 ZINC000096244870 222098019 /nfs/dbraw/zinc/09/80/19/222098019.db2.gz LARNIUFPZLBEBH-CTNGQTDRSA-N 1 0 368.908 3.658 40 0 FHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2cccc(C(F)(F)F)c2)CC1 ZINC000098213779 222231611 /nfs/dbraw/zinc/23/16/11/222231611.db2.gz OJULKJYXPZKNCR-UHFFFAOYSA-N 1 0 358.404 3.933 40 0 FHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCCC3)o2)c1 ZINC000007540529 263351831 /nfs/dbraw/zinc/35/18/31/263351831.db2.gz QMMPOFVRMILYKF-UHFFFAOYSA-N 1 0 371.433 3.942 40 0 FHABRO O=C(COc1ccc(Cl)cc1Cl)NCCC[NH+]1CCCCCC1 ZINC000010111075 263363101 /nfs/dbraw/zinc/36/31/01/263363101.db2.gz GKULHMNQSHHWHT-UHFFFAOYSA-N 1 0 359.297 3.755 40 0 FHABRO CC(=O)Nc1cc(CCC2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000257237470 526915727 /nfs/dbraw/zinc/91/57/27/526915727.db2.gz HGPLIYRPXNMMDW-UHFFFAOYSA-N 1 0 351.494 3.927 40 0 FHABRO CC(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 ZINC000514289765 560031920 /nfs/dbraw/zinc/03/19/20/560031920.db2.gz DOZJLVMCZIFSRR-QNWVGRARSA-N 1 0 372.553 3.906 40 0 biogenic,in-vitro FHABRO CC[C@H](Oc1cccc(OC)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000216141095 568108047 /nfs/dbraw/zinc/10/80/47/568108047.db2.gz IFJFHGQVMURPJP-PXNSSMCTSA-N 1 0 362.514 3.623 40 0 FHABRO COc1ccc(-[n+]2cc(-c3ccc(OC(F)F)cc3)n3c2CCC3)cc1 ZINC000032611742 568397718 /nfs/dbraw/zinc/39/77/18/568397718.db2.gz ZOOOHPRUMLTOEM-UHFFFAOYSA-N 1 0 357.380 3.988 40 0 FHABRO CN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000096036978 570472182 /nfs/dbraw/zinc/47/21/82/570472182.db2.gz YYDLPHGXKQVHGV-UHFFFAOYSA-N 1 0 362.477 3.580 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4cccs4)C3)CC2)c1 ZINC000096046646 570472933 /nfs/dbraw/zinc/47/29/33/570472933.db2.gz MVKXVCWRHIPVTR-UHFFFAOYSA-N 1 0 370.518 3.885 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccccn3)CC2)N1Cc1cccc(F)c1 ZINC000096047557 570473743 /nfs/dbraw/zinc/47/37/43/570473743.db2.gz ZUOJPDCCVWNXPH-QFIPXVFZSA-N 1 0 367.468 3.768 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H]1Cc1ccc(F)cc1 ZINC000585286302 570494670 /nfs/dbraw/zinc/49/46/70/570494670.db2.gz PSMSEHXJWKSTMB-VXKWHMMOSA-N 1 0 372.459 3.719 40 0 FHABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216479 570533551 /nfs/dbraw/zinc/53/35/51/570533551.db2.gz RZQQKVMONTYONF-SFHVURJKSA-N 1 0 374.529 3.686 40 0 FHABRO O=C1N(Cc2ccncc2)c2ccccc2C12CC[NH+](Cc1ccco1)CC2 ZINC000109759535 570537605 /nfs/dbraw/zinc/53/76/05/570537605.db2.gz YMEWCCHUESRKBD-UHFFFAOYSA-N 1 0 373.456 3.755 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345955 570537997 /nfs/dbraw/zinc/53/79/97/570537997.db2.gz OEHXYXMMEAGTNM-KRWDZBQOSA-N 1 0 363.440 3.640 40 0 FHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccc(F)cc4)C3)n2)c1 ZINC000072369855 570546797 /nfs/dbraw/zinc/54/67/97/570546797.db2.gz PDKLILMNCBFZKF-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO CC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000004184470 570580451 /nfs/dbraw/zinc/58/04/51/570580451.db2.gz FXFKJRUFWJBJDJ-QFIPXVFZSA-N 1 0 367.489 3.584 40 0 FHABRO C[NH+](C)CCNc1nc(NCc2ccccc2F)cc(-c2ccccc2)n1 ZINC000244428544 570610262 /nfs/dbraw/zinc/61/02/62/570610262.db2.gz YXSXVFPPCXWTQW-UHFFFAOYSA-N 1 0 365.456 3.868 40 0 FHABRO Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccc(OCCF)cc2)c(C)c1 ZINC000257310106 570627339 /nfs/dbraw/zinc/62/73/39/570627339.db2.gz UDSAFBGYWJRCHM-IBGZPJMESA-N 1 0 361.457 3.523 40 0 FHABRO O=C(Nc1nnc(SCC[NH+]2CCCCC2)s1)c1ccc(F)cc1 ZINC000035316087 570642399 /nfs/dbraw/zinc/64/23/99/570642399.db2.gz NRXOSAGFKVDOEY-UHFFFAOYSA-N 1 0 366.487 3.508 40 0 FHABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2)cc1 ZINC000006462773 570647350 /nfs/dbraw/zinc/64/73/50/570647350.db2.gz BLKNRPNMYYGYMN-UHFFFAOYSA-N 1 0 368.481 3.711 40 0 FHABRO CCCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 ZINC000007261004 570661836 /nfs/dbraw/zinc/66/18/36/570661836.db2.gz SZYXPKBWPWXCGL-UHFFFAOYSA-N 1 0 350.503 3.659 40 0 FHABRO S=C(NCCC[NH+]1CCCCC1)Nc1cccc(Br)c1 ZINC000008107136 570677258 /nfs/dbraw/zinc/67/72/58/570677258.db2.gz AZOHJHDUSATSNV-UHFFFAOYSA-N 1 0 356.333 3.612 40 0 FHABRO CCOc1ccc(Br)cc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000008324586 570680257 /nfs/dbraw/zinc/68/02/57/570680257.db2.gz DOIPBRMUKZKMAZ-UHFFFAOYSA-N 1 0 364.239 3.866 40 0 FHABRO CSc1ccc(C[NH+]2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 ZINC000012121539 570720786 /nfs/dbraw/zinc/72/07/86/570720786.db2.gz USBULJNIYNOGKF-UHFFFAOYSA-N 1 0 367.522 3.721 40 0 FHABRO CCOC(=O)C1(Cc2ccccc2-c2ccccc2OC)CC[NH2+]CC1 ZINC000012236342 570730402 /nfs/dbraw/zinc/73/04/02/570730402.db2.gz JOXLSGAKZRFFSB-UHFFFAOYSA-N 1 0 353.462 3.838 40 0 FHABRO CC[NH+](CC)CCNc1ncc(-c2cc(C)no2)c(-c2ccoc2C)n1 ZINC000012251491 570731465 /nfs/dbraw/zinc/73/14/65/570731465.db2.gz UHEOJUIXSLGNJW-UHFFFAOYSA-N 1 0 355.442 3.762 40 0 FHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293753 570732746 /nfs/dbraw/zinc/73/27/46/570732746.db2.gz MCZKOYYYOZMNKA-WOJBJXKFSA-N 1 0 371.452 3.518 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1 ZINC000012328602 570737125 /nfs/dbraw/zinc/73/71/25/570737125.db2.gz PLHKEKXGFTXHNU-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(Cl)cc1 ZINC000012329729 570737213 /nfs/dbraw/zinc/73/72/13/570737213.db2.gz AFKAZPMURQQVBP-MOPGFXCFSA-N 1 0 373.880 3.724 40 0 FHABRO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1OC ZINC000012329305 570737223 /nfs/dbraw/zinc/73/72/23/570737223.db2.gz WWULQMSBMWWTIV-UDKICSLYSA-N 1 0 357.494 3.912 40 0 FHABRO c1cc(-c2ccc(-c3noc(C[N@H+]4C[C@@H]5CCCC[C@@H]5C4)n3)cc2)ncn1 ZINC000012337230 570737655 /nfs/dbraw/zinc/73/76/55/570737655.db2.gz NKSLZXCUSANDCP-HDICACEKSA-N 1 0 361.449 3.816 40 0 FHABRO CCCOc1ccccc1C[NH+]1CCC(O)(c2ccccc2OC)CC1 ZINC000012344758 570738354 /nfs/dbraw/zinc/73/83/54/570738354.db2.gz BJEGEURKFADBLS-UHFFFAOYSA-N 1 0 355.478 3.968 40 0 FHABRO O=C(CSCc1c(Cl)cccc1Cl)NCCC[NH+]1CCCC1 ZINC000013675367 570784226 /nfs/dbraw/zinc/78/42/26/570784226.db2.gz LAEYBFSDTSNBAB-UHFFFAOYSA-N 1 0 361.338 3.829 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1CCN2C(=O)CCCc1c[nH]c2ccccc12 ZINC000019712170 570857949 /nfs/dbraw/zinc/85/79/49/570857949.db2.gz DLBLCVUXTXWJIM-LEWJYISDSA-N 1 0 353.510 3.966 40 0 FHABRO Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000038772852 570866287 /nfs/dbraw/zinc/86/62/87/570866287.db2.gz KMSXHIJLYUFSCZ-ABSDTBQOSA-N 1 0 360.542 3.863 40 0 FHABRO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)Cc1ccccc1N1CCOCC1 ZINC000019716015 570899692 /nfs/dbraw/zinc/89/96/92/570899692.db2.gz QWCZQJITDINILV-UHFFFAOYSA-N 1 0 366.505 3.869 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CC(=O)Nc4ccccc43)cc2)C1 ZINC000020107107 570910451 /nfs/dbraw/zinc/91/04/51/570910451.db2.gz YXVUYVIQKGZSLJ-INIZCTEOSA-N 1 0 363.461 3.517 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C)CC2)c1 ZINC000224528739 570992234 /nfs/dbraw/zinc/99/22/34/570992234.db2.gz RPAJCJZZQQSKAQ-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO CCc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224623375 570995214 /nfs/dbraw/zinc/99/52/14/570995214.db2.gz URUSGOUVUOIWNL-SFHVURJKSA-N 1 0 366.505 3.929 40 0 FHABRO Cc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000224623716 570995262 /nfs/dbraw/zinc/99/52/62/570995262.db2.gz TWYYAIPYXJEIQX-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO O=C(COc1ccccc1F)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224696240 570997492 /nfs/dbraw/zinc/99/74/92/570997492.db2.gz AGCLNLIKXGPCHS-UHFFFAOYSA-N 1 0 356.441 3.507 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C)cc3)CC2)cc1 ZINC000039772465 571023966 /nfs/dbraw/zinc/02/39/66/571023966.db2.gz AUIKJEOIXPILMH-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000039772797 571024176 /nfs/dbraw/zinc/02/41/76/571024176.db2.gz RWMMKSNRPACSSA-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(Br)cc2)CC1 ZINC000225435555 571035015 /nfs/dbraw/zinc/03/50/15/571035015.db2.gz LLSDRIZRWDJCQL-UHFFFAOYSA-N 1 0 370.360 3.858 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225643967 571052218 /nfs/dbraw/zinc/05/22/18/571052218.db2.gz DOECGXLOFRJRNQ-JKSBSHDWSA-N 1 0 374.525 3.797 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225643897 571052354 /nfs/dbraw/zinc/05/23/54/571052354.db2.gz HPNWLUCIFZUJJA-KKSFZXQISA-N 1 0 360.498 3.693 40 0 FHABRO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225650362 571052633 /nfs/dbraw/zinc/05/26/33/571052633.db2.gz BFBBFILPLDMGKM-UTKZUKDTSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1)C1CC1 ZINC000225723902 571059648 /nfs/dbraw/zinc/05/96/48/571059648.db2.gz HFNUSWNSHUHARZ-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CCOc1ccccc1NC(=S)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225742482 571061185 /nfs/dbraw/zinc/06/11/85/571061185.db2.gz VSKUHWRLJJPQDV-UHFFFAOYSA-N 1 0 369.534 3.820 40 0 FHABRO Fc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1F ZINC000225743331 571061240 /nfs/dbraw/zinc/06/12/40/571061240.db2.gz JJPXOOMKRARSPS-UHFFFAOYSA-N 1 0 361.461 3.700 40 0 FHABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000225738930 571061283 /nfs/dbraw/zinc/06/12/83/571061283.db2.gz WEKBVPDVEJAPIB-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO COc1ccc(F)cc1[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000036743865 571081500 /nfs/dbraw/zinc/08/15/00/571081500.db2.gz FFQFCTWXWGLSBF-LIRRHRJNSA-N 1 0 369.440 3.624 40 0 FHABRO COc1ccc(OC)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000038834775 571087141 /nfs/dbraw/zinc/08/71/41/571087141.db2.gz VBXHZWNUQHQSCD-MRXNPFEDSA-N 1 0 372.440 3.694 40 0 FHABRO O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849327 571087724 /nfs/dbraw/zinc/08/77/24/571087724.db2.gz UYMXBJSSZAKPDR-OAHLLOKOSA-N 1 0 372.852 3.919 40 0 FHABRO COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038849453 571087839 /nfs/dbraw/zinc/08/78/39/571087839.db2.gz BFTNUOSSJSOJIG-KRWDZBQOSA-N 1 0 356.441 3.993 40 0 FHABRO Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)o1 ZINC000098172863 571098857 /nfs/dbraw/zinc/09/88/57/571098857.db2.gz HSHLHBCUBJRJLC-UHFFFAOYSA-N 1 0 364.449 3.785 40 0 FHABRO O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044938407 571105261 /nfs/dbraw/zinc/10/52/61/571105261.db2.gz JQTGNDNATKNXRL-UHFFFAOYSA-N 1 0 363.461 3.662 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329033288 571107847 /nfs/dbraw/zinc/10/78/47/571107847.db2.gz QTHXZWDJVNZHMS-HNNXBMFYSA-N 1 0 354.498 3.691 40 0 FHABRO CC(C)(C)OC(=O)NCC1(c2ccc(C(F)(F)F)cc2)CC[NH2+]CC1 ZINC000096029487 571115524 /nfs/dbraw/zinc/11/55/24/571115524.db2.gz GAUPDNVTILVWRD-UHFFFAOYSA-N 1 0 358.404 3.851 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@H]3[C@H]2CC[C@H]3COCc2nccs2)s1 ZINC000248106121 571127732 /nfs/dbraw/zinc/12/77/32/571127732.db2.gz PFSNEYAEYKKSAY-YXJHDRRASA-N 1 0 364.536 3.709 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 ZINC000072340116 571179081 /nfs/dbraw/zinc/17/90/81/571179081.db2.gz WUUMNUCJLPRFHG-OAHLLOKOSA-N 1 0 367.453 3.905 40 0 FHABRO Cc1cccc(-c2cccc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072348767 571180258 /nfs/dbraw/zinc/18/02/58/571180258.db2.gz RVIAGKIXRJTLAM-FQEVSTJZSA-N 1 0 363.505 3.859 40 0 FHABRO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349535 571181163 /nfs/dbraw/zinc/18/11/63/571181163.db2.gz UUQPRSWDVWXJRG-QGZVFWFLSA-N 1 0 371.912 3.593 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cn1 ZINC000072349981 571181400 /nfs/dbraw/zinc/18/14/00/571181400.db2.gz XZAXKNKJOKNFJD-LJQANCHMSA-N 1 0 364.468 3.925 40 0 FHABRO COc1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349959 571181477 /nfs/dbraw/zinc/18/14/77/571181477.db2.gz FHBJVQAIHBSFNA-LJQANCHMSA-N 1 0 362.477 3.870 40 0 FHABRO Cc1cccc(Nc2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360966 571184340 /nfs/dbraw/zinc/18/43/40/571184340.db2.gz FFDPVGYANRTSHK-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO COc1ccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)n2)cc1 ZINC000072369930 571184955 /nfs/dbraw/zinc/18/49/55/571184955.db2.gz LCRHIQNXMYUPGT-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO CCC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072374894 571185270 /nfs/dbraw/zinc/18/52/70/571185270.db2.gz LZXOFMJGVQXWNZ-MRXNPFEDSA-N 1 0 353.470 3.656 40 0 FHABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3cn(C)nc3C)n2)s1 ZINC000072375352 571185742 /nfs/dbraw/zinc/18/57/42/571185742.db2.gz UCPJNTIKLXRZAB-QGZVFWFLSA-N 1 0 368.510 3.969 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376037 571185783 /nfs/dbraw/zinc/18/57/83/571185783.db2.gz JPPUMDZBIXZKKQ-KRWDZBQOSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1c(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cnn1C ZINC000072375343 571185786 /nfs/dbraw/zinc/18/57/86/571185786.db2.gz KOBVDAIUYBPGEY-IBGZPJMESA-N 1 0 362.481 3.908 40 0 FHABRO Cc1nccn1-c1cccc([C@H]2CCC[N@H+](CCOc3ccccc3)C2)n1 ZINC000072379203 571187661 /nfs/dbraw/zinc/18/76/61/571187661.db2.gz ZKLVOSYYNQXTBQ-IBGZPJMESA-N 1 0 362.477 3.834 40 0 FHABRO Cc1cc(C)n(CCC[N@@H+](C)Cc2c(C)n(C)nc2-c2ccccc2)n1 ZINC000072391964 571189927 /nfs/dbraw/zinc/18/99/27/571189927.db2.gz RDWBZQNWPBCTIC-UHFFFAOYSA-N 1 0 351.498 3.731 40 0 FHABRO COc1cccc2cc(C(=O)NCc3ccccc3C[NH+]3CCCC3)oc21 ZINC000073897000 571201297 /nfs/dbraw/zinc/20/12/97/571201297.db2.gz KDKXBENDPHQUGM-UHFFFAOYSA-N 1 0 364.445 3.967 40 0 FHABRO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CN(CC4CCCCC4)C3=O)C2)s1 ZINC000585099276 571221839 /nfs/dbraw/zinc/22/18/39/571221839.db2.gz AJJCCLSMDNYTAL-HXUWFJFHSA-N 1 0 361.555 3.765 40 0 FHABRO Fc1cccnc1O[C@@H]1CSC2(C[NH+](Cc3cccc4[nH]ccc43)C2)C1 ZINC000585104006 571222663 /nfs/dbraw/zinc/22/26/63/571222663.db2.gz FMXRGUZRDDIWEH-HNNXBMFYSA-N 1 0 369.465 3.841 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)o1 ZINC000585103403 571223525 /nfs/dbraw/zinc/22/35/25/571223525.db2.gz AWVNBXTUUBEBEK-SFHVURJKSA-N 1 0 356.466 3.823 40 0 FHABRO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)c1 ZINC000585105527 571223714 /nfs/dbraw/zinc/22/37/14/571223714.db2.gz YWJHQNYNXFUJPM-HXUWFJFHSA-N 1 0 370.518 3.675 40 0 FHABRO FC(F)(F)c1cc(N2CC[C@H]3[C@@H](C[N@@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107924 571225056 /nfs/dbraw/zinc/22/50/56/571225056.db2.gz FWTAMBMLVMHZNM-CABCVRRESA-N 1 0 354.420 3.586 40 0 FHABRO CC[C@@H](C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109685 571225067 /nfs/dbraw/zinc/22/50/67/571225067.db2.gz IFRIHVHWOUJJNP-SBQCITLYSA-N 1 0 370.537 3.736 40 0 FHABRO CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC000585109435 571225584 /nfs/dbraw/zinc/22/55/84/571225584.db2.gz OXWRLZJCGYPJBL-OKZBNKHCSA-N 1 0 362.464 3.964 40 0 FHABRO c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4ccc5[nH]ccc5c4)C3)n2)cn1 ZINC000585169383 571237274 /nfs/dbraw/zinc/23/72/74/571237274.db2.gz JCBRASZYTZHKHC-SFHVURJKSA-N 1 0 358.449 3.523 40 0 FHABRO Cc1cccc(Nc2cncc(C3CC[NH+](C[C@@H]4CC=CCC4)CC3)n2)n1 ZINC000585176621 571237903 /nfs/dbraw/zinc/23/79/03/571237903.db2.gz AIGZRRCARNRZON-GOSISDBHSA-N 1 0 363.509 3.881 40 0 FHABRO c1cc2c(C[C@H]3COCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)nccn2c1 ZINC000585182369 571238360 /nfs/dbraw/zinc/23/83/60/571238360.db2.gz USCOSYAPMUYTAK-GOSISDBHSA-N 1 0 360.461 3.507 40 0 FHABRO CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010313906 571302869 /nfs/dbraw/zinc/30/28/69/571302869.db2.gz HAADKRHTGRGZEM-UHFFFAOYSA-N 1 0 365.477 3.673 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@@H]([C@H]2CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000019216608 571303821 /nfs/dbraw/zinc/30/38/21/571303821.db2.gz WXDOUYDZPYTWSA-PGRDOPGGSA-N 1 0 368.477 3.610 40 0 FHABRO CCN(C(C)=O)[C@H]1C[N@H+](Cc2cccc(OC)c2OC)C2(C1)CCCCC2 ZINC000019703921 571304523 /nfs/dbraw/zinc/30/45/23/571304523.db2.gz QCRZMWJQCQQKEM-LJQANCHMSA-N 1 0 374.525 3.849 40 0 FHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036067600 571306114 /nfs/dbraw/zinc/30/61/14/571306114.db2.gz KOXNZHOWHBGVCW-BXWFABGCSA-N 1 0 366.933 3.982 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc(F)c4)CO3)C2)cc1 ZINC000096047597 571306835 /nfs/dbraw/zinc/30/68/35/571306835.db2.gz QQTZKGMAIOOPOE-PZJWPPBQSA-N 1 0 356.441 3.680 40 0 FHABRO COc1c(C)cccc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012293005 571318497 /nfs/dbraw/zinc/31/84/97/571318497.db2.gz GSSGAYFDAPPJFG-UHFFFAOYSA-N 1 0 370.468 3.770 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1 ZINC000006629866 941153112 /nfs/dbraw/zinc/15/31/12/941153112.db2.gz LHWPUGNGTAVPGH-VAWYXSNFSA-N 1 0 357.479 3.648 40 0 FHABRO COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3)cc1)C2 ZINC000000603084 210251246 /nfs/dbraw/zinc/25/12/46/210251246.db2.gz RCRQOFLAAVCAGE-FQEVSTJZSA-N 1 0 374.460 3.637 40 0 in-vitro FHABRO c1ccc(-c2ccc3nnc(C4CC[NH+](Cc5ccccn5)CC4)n3n2)cc1 ZINC000306127727 210051102 /nfs/dbraw/zinc/05/11/02/210051102.db2.gz GFPWWXHMQIPZGC-UHFFFAOYSA-N 1 0 370.460 3.566 40 0 FHABRO COc1ncccc1C[N@@H+]1CC[C@@]2(CCn3c(-c4cccs4)cnc32)C1 ZINC000306131628 210054548 /nfs/dbraw/zinc/05/45/48/210054548.db2.gz KKLODLKVUJOUBE-HXUWFJFHSA-N 1 0 366.490 3.563 40 0 FHABRO COc1ncccc1C[N@@H+]1CC[C@]2(CCn3c(-c4cccs4)cnc32)C1 ZINC000306131627 210054154 /nfs/dbraw/zinc/05/41/54/210054154.db2.gz KKLODLKVUJOUBE-FQEVSTJZSA-N 1 0 366.490 3.563 40 0 FHABRO O=C1c2cccn2[C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1ccccc1 ZINC000306126459 210049062 /nfs/dbraw/zinc/04/90/62/210049062.db2.gz DWKFGAQYSHQECN-WOJBJXKFSA-N 1 0 363.486 3.631 40 0 FHABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225715558 222862726 /nfs/dbraw/zinc/86/27/26/222862726.db2.gz PTJFQWOYIGMKLQ-UTKZUKDTSA-N 1 0 362.514 3.941 40 0 FHABRO O=C(c1ccccc1F)N1CCC[C@@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257202006 223017292 /nfs/dbraw/zinc/01/72/92/223017292.db2.gz AKBMXKYDWADSBE-HXUWFJFHSA-N 1 0 353.441 3.794 40 0 FHABRO Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC000257213844 223021681 /nfs/dbraw/zinc/02/16/81/223021681.db2.gz CJHVZZRESURMRY-HXUWFJFHSA-N 1 0 351.494 3.547 40 0 FHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2cccs2)c1 ZINC000257222935 223026011 /nfs/dbraw/zinc/02/60/11/223026011.db2.gz DVFFZBBGPDWEKR-UHFFFAOYSA-N 1 0 351.475 3.802 40 0 FHABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cc(F)ccc3F)C2)n1 ZINC000257247411 223035611 /nfs/dbraw/zinc/03/56/11/223035611.db2.gz IYYBHKTYEPGWQY-CQSZACIVSA-N 1 0 369.419 3.833 40 0 FHABRO Cc1ncsc1C[NH+]1CCC(c2c3cccnc3sc2C(N)=O)CC1 ZINC000257250278 223037601 /nfs/dbraw/zinc/03/76/01/223037601.db2.gz JLWDLSSXGJZOPJ-UHFFFAOYSA-N 1 0 372.519 3.540 40 0 FHABRO Cc1nc2ccc(Cl)cn2c1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257266511 223043506 /nfs/dbraw/zinc/04/35/06/223043506.db2.gz MDHQVJBFPQKGNG-JXFKEZNVSA-N 1 0 374.916 3.775 40 0 FHABRO Cc1ccc(Nc2nc([C@@H]3CCC[N@@H+](Cc4cncn4C)C3)cs2)nc1 ZINC000257263418 223043124 /nfs/dbraw/zinc/04/31/24/223043124.db2.gz LPVGYLFLICXWGU-OAHLLOKOSA-N 1 0 368.510 3.703 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4ccccc4)c3)[C@H]1CCCC[NH2+]2 ZINC000257271934 223046206 /nfs/dbraw/zinc/04/62/06/223046206.db2.gz NAKAFWGCQFIFPJ-GMAHTHKFSA-N 1 0 363.505 3.809 40 0 FHABRO COc1cccc2ccc(CN(CCC[NH+](C)C)Cc3ccco3)nc21 ZINC000013992886 220100778 /nfs/dbraw/zinc/10/07/78/220100778.db2.gz DJDZRVNLDRELKG-UHFFFAOYSA-N 1 0 353.466 3.790 40 0 FHABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044852953 211804289 /nfs/dbraw/zinc/80/42/89/211804289.db2.gz SLDYUOIDNUWBJW-GOSISDBHSA-N 1 0 352.478 3.788 40 0 FHABRO N[C@H](c1ccc(Br)cc1)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000022467046 211352785 /nfs/dbraw/zinc/35/27/85/211352785.db2.gz XURRKKYAGFWNPT-OKILXGFUSA-N 1 0 370.088 3.911 40 0 FHABRO C[C@H](Cn1cncc1-c1cnn(Cc2ccccc2)c1)[NH+]1CCC(C)CC1 ZINC000019719505 211252038 /nfs/dbraw/zinc/25/20/38/211252038.db2.gz IPTCXXPTDUUFSD-LJQANCHMSA-N 1 0 363.509 3.915 40 0 FHABRO Cn1cc(C(=O)NC2CCCC2)c(CC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000019754954 211255149 /nfs/dbraw/zinc/25/51/49/211255149.db2.gz DHRPKFNIBUCADK-UHFFFAOYSA-N 1 0 372.557 3.680 40 0 FHABRO C[C@H](CN(C)C(=O)CC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000019748800 211253406 /nfs/dbraw/zinc/25/34/06/211253406.db2.gz NVAGGLWFPRKLLF-LJQANCHMSA-N 1 0 365.521 3.946 40 0 FHABRO Nc1nc(-c2ccccc2)nc2nc([C@@H]3CCC[N@H+](CC4CC4)C3)ccc12 ZINC000019743342 211253322 /nfs/dbraw/zinc/25/33/22/211253322.db2.gz IMDLMHAHCIHNJK-QGZVFWFLSA-N 1 0 359.477 3.863 40 0 FHABRO C[N@H+](CCOc1ccccc1)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019586164 211238041 /nfs/dbraw/zinc/23/80/41/211238041.db2.gz BYLRTVUTQVZYNY-IBGZPJMESA-N 1 0 351.450 3.925 40 0 FHABRO C[N@H+](CCc1ccccc1)Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000019586217 211237534 /nfs/dbraw/zinc/23/75/34/211237534.db2.gz RPWMQNFEFYNEEK-UHFFFAOYSA-N 1 0 361.424 3.605 40 0 FHABRO CN(C(=O)[C@H]1CC=CCC1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586700 211237042 /nfs/dbraw/zinc/23/70/42/211237042.db2.gz FVRJNBSBXUXQIG-QXAHSBQVSA-N 1 0 354.494 3.665 40 0 FHABRO CC(C)(C[NH+]1CCCCC1)NC(=O)c1cc(-n2cccn2)ccc1Cl ZINC000019715181 211250067 /nfs/dbraw/zinc/25/00/67/211250067.db2.gz AAJLMQKVVKZUCZ-UHFFFAOYSA-N 1 0 360.889 3.520 40 0 FHABRO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019714577 211246502 /nfs/dbraw/zinc/24/65/02/211246502.db2.gz CXXVPWCXLOLEAF-QGZVFWFLSA-N 1 0 359.477 3.909 40 0 FHABRO C[NH+](C)CCC1CCN(C(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)CC1 ZINC000019664321 211244577 /nfs/dbraw/zinc/24/45/77/211244577.db2.gz KEPYCRPVSPLGEJ-INIZCTEOSA-N 1 0 361.530 3.630 40 0 FHABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 ZINC000019690537 211244038 /nfs/dbraw/zinc/24/40/38/211244038.db2.gz HNTIOQOPNSQVNG-UHFFFAOYSA-N 1 0 364.468 3.925 40 0 FHABRO CC(C)c1ccc(CN2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)cc1 ZINC000019453296 211223835 /nfs/dbraw/zinc/22/38/35/211223835.db2.gz KKKWXRLONGCNRA-IBGZPJMESA-N 1 0 350.510 3.625 40 0 FHABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000019456073 211223097 /nfs/dbraw/zinc/22/30/97/211223097.db2.gz HRMBPBHXLNGPTO-VGSWGCGISA-N 1 0 351.494 3.775 40 0 FHABRO COc1ccc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)cc1OC ZINC000019561039 211234176 /nfs/dbraw/zinc/23/41/76/211234176.db2.gz IHOQYEBOYWPCPN-WOIUINJBSA-N 1 0 370.468 3.563 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019561001 211232889 /nfs/dbraw/zinc/23/28/89/211232889.db2.gz MCZIVTSZQYESCO-INIZCTEOSA-N 1 0 351.450 3.960 40 0 FHABRO CCC[C@@H](C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1)n1nc(C)cc1C ZINC000019501792 211226602 /nfs/dbraw/zinc/22/66/02/211226602.db2.gz FKNBVJVTCOHCHW-PMACEKPBSA-N 1 0 360.546 3.708 40 0 FHABRO CCC(=O)N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019499265 211225846 /nfs/dbraw/zinc/22/58/46/211225846.db2.gz QAMNTSOZPXCCRN-QAPCUYQASA-N 1 0 361.486 3.762 40 0 FHABRO CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(C)c3)CC[C@@H]21 ZINC000019235060 211210464 /nfs/dbraw/zinc/21/04/64/211210464.db2.gz COLUYKJCDJVJJZ-ACRUOGEOSA-N 1 0 354.519 3.893 40 0 FHABRO Cc1ccsc1C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C[C@H](C)O ZINC000019238603 211209842 /nfs/dbraw/zinc/20/98/42/211209842.db2.gz DZYFVYNEKGSSKR-HNNXBMFYSA-N 1 0 359.470 3.764 40 0 FHABRO CCOc1ccc(NC(=O)[C@@H]([C@H](C)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366269 211219249 /nfs/dbraw/zinc/21/92/49/211219249.db2.gz JFEFUMYXQVSUMX-GHTZIAJQSA-N 1 0 373.541 3.753 40 0 FHABRO O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019368326 211217813 /nfs/dbraw/zinc/21/78/13/211217813.db2.gz YQSCSQOWHOTZAJ-MRXNPFEDSA-N 1 0 371.456 3.961 40 0 FHABRO Nc1cc([C@@H]2CCC[N@H+](Cc3ccoc3)C2)nc2cc(-c3ccco3)nn21 ZINC000019342514 211216247 /nfs/dbraw/zinc/21/62/47/211216247.db2.gz IGPXCJSCCTVIAO-OAHLLOKOSA-N 1 0 363.421 3.544 40 0 FHABRO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 ZINC000019334024 211216123 /nfs/dbraw/zinc/21/61/23/211216123.db2.gz GULACEZZPBRNHM-INIZCTEOSA-N 1 0 373.884 3.944 40 0 FHABRO O=C(NC1CC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000019293405 211214411 /nfs/dbraw/zinc/21/44/11/211214411.db2.gz VFTOTJPRLXVFMO-CQSZACIVSA-N 1 0 359.857 3.600 40 0 FHABRO Cc1cc(-c2nccs2)nc(C2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000019118685 211201609 /nfs/dbraw/zinc/20/16/09/211201609.db2.gz IWFDHYHERULEDW-UHFFFAOYSA-N 1 0 351.479 3.683 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnsc3-c3cc(C)no3)C2)c1 ZINC000019120782 211201299 /nfs/dbraw/zinc/20/12/99/211201299.db2.gz HYLPOYYZBRRSBR-HNNXBMFYSA-N 1 0 370.478 3.890 40 0 FHABRO CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)C[N@@H+]2Cc1ccccc1F ZINC000019017771 211200153 /nfs/dbraw/zinc/20/01/53/211200153.db2.gz PXAOSERBMOGCIZ-CEMLEFRQSA-N 1 0 370.443 3.944 40 0 FHABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCCN(C(C)=O)[C@@H]32)cc1 ZINC000019017767 211199846 /nfs/dbraw/zinc/19/98/46/211199846.db2.gz ADJLILPAUMWLGO-DNVJHFABSA-N 1 0 364.489 3.674 40 0 FHABRO CCC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019501872 220264512 /nfs/dbraw/zinc/26/45/12/220264512.db2.gz NOMZDXQKBZKFOS-LJQANCHMSA-N 1 0 360.550 3.580 40 0 FHABRO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 ZINC000012128422 210919119 /nfs/dbraw/zinc/91/91/19/210919119.db2.gz NQRVZNPDBIMNFB-OXJNMPFZSA-N 1 0 366.465 3.883 40 0 FHABRO CC[n+]1c2cc3c(cc2sc1COCCOc1ccccc1)OCO3 ZINC000001703115 210365149 /nfs/dbraw/zinc/36/51/49/210365149.db2.gz DFMAOBBHFFKVFQ-UHFFFAOYSA-N 1 0 358.439 3.533 40 0 FHABRO COc1c2occc2c2occ(C)c2c1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000001587020 210359268 /nfs/dbraw/zinc/35/92/68/210359268.db2.gz ZYHCHTRKHCAAPA-AWEZNQCLSA-N 1 0 359.422 3.722 40 0 FHABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1 ZINC000049169104 221020889 /nfs/dbraw/zinc/02/08/89/221020889.db2.gz UTROAIQCOHBFFS-INIZCTEOSA-N 1 0 370.474 3.611 40 0 biogenic,in-vitro FHABRO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000057698443 221093040 /nfs/dbraw/zinc/09/30/40/221093040.db2.gz GIUIVAMVPPCYOA-YJBOKZPZSA-N 1 0 370.946 3.533 40 0 FHABRO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc4ncccc43)cc2)CC1 ZINC000004859354 132255441 /nfs/dbraw/zinc/25/54/41/132255441.db2.gz GTWWWWLXOJAHLJ-UHFFFAOYSA-N 1 0 360.461 3.629 40 0 FHABRO CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328968058 132371942 /nfs/dbraw/zinc/37/19/42/132371942.db2.gz CXEKUFIAVUXAQN-LJQANCHMSA-N 1 0 368.525 3.766 40 0 FHABRO CC(C)c1nc(N2CCc3ccccc3C2)cc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329010840 132372649 /nfs/dbraw/zinc/37/26/49/132372649.db2.gz MCHLZHDREUEADJ-SFHVURJKSA-N 1 0 354.498 3.592 40 0 FHABRO COc1ccc(C[C@H]2C[N@@H+](C3CCOCC3)CC[C@H]2OCC2CC2)cc1 ZINC000096110310 222027487 /nfs/dbraw/zinc/02/74/87/222027487.db2.gz HSUGCFNRWYWJQA-SIKLNZKXSA-N 1 0 359.510 3.534 40 0 FHABRO Fc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096051134 222001160 /nfs/dbraw/zinc/00/11/60/222001160.db2.gz IAVKNZPIBOESGJ-LJQANCHMSA-N 1 0 361.411 3.958 40 0 FHABRO O=C(Nc1ccccc1)N1C[C@@H]2C[NH+](Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096081065 222017429 /nfs/dbraw/zinc/01/74/29/222017429.db2.gz KABBIPMQJNHTOO-IRXDYDNUSA-N 1 0 355.869 3.936 40 0 FHABRO CCN(CCNC(=O)CC1CCC2(CC[NH2+]CC2)CC1)c1cccc(C)c1 ZINC000096156881 222056718 /nfs/dbraw/zinc/05/67/18/222056718.db2.gz CCQBNRXWKRQHPH-UHFFFAOYSA-N 1 0 371.569 3.888 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)o1 ZINC000096218329 222081984 /nfs/dbraw/zinc/08/19/84/222081984.db2.gz RROSHTNXBXKDJW-FQEVSTJZSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)o1 ZINC000096215919 222082105 /nfs/dbraw/zinc/08/21/05/222082105.db2.gz OXTYRIPOIZUXSS-NRFANRHFSA-N 1 0 356.466 3.926 40 0 FHABRO c1ccc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)cc1 ZINC000096219344 222083578 /nfs/dbraw/zinc/08/35/78/222083578.db2.gz RHMSTJWDMHUUBZ-OAQYLSRUSA-N 1 0 352.478 3.670 40 0 FHABRO Cc1ccc([C@@H](CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000102683673 222303994 /nfs/dbraw/zinc/30/39/94/222303994.db2.gz ALGBIQNSNSQKKV-CUDHKJQZSA-N 1 0 354.494 3.955 40 0 FHABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000008326298 263354424 /nfs/dbraw/zinc/35/44/24/263354424.db2.gz KGYHFJFKMHSEBH-ZDUSSCGKSA-N 1 0 355.887 3.850 40 0 FHABRO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1cccs1 ZINC000022107619 263385323 /nfs/dbraw/zinc/38/53/23/263385323.db2.gz UTMPQZHSVKEKCJ-UHFFFAOYSA-N 1 0 354.903 3.640 40 0 FHABRO COc1ccccc1CNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000039745261 263399818 /nfs/dbraw/zinc/39/98/18/263399818.db2.gz ZPBZUNRPCKLBGK-UHFFFAOYSA-N 1 0 352.478 3.532 40 0 FHABRO O=C(Cc1cccs1)N1CCC[C@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257339204 534736467 /nfs/dbraw/zinc/73/64/67/534736467.db2.gz ZARKQFDJUDKITJ-IBGZPJMESA-N 1 0 355.507 3.645 40 0 FHABRO CC[N@H+](C)[C@H]1CN(C(=O)CCc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000257239220 527864566 /nfs/dbraw/zinc/86/45/66/527864566.db2.gz HOLBDFOSOPORRF-LJQANCHMSA-N 1 0 358.526 3.883 40 0 FHABRO CC(C)[NH+]1CCC(c2cnc(N3CC4(CCCCC4)OC3=O)cn2)CC1 ZINC000257316060 529004529 /nfs/dbraw/zinc/00/45/29/529004529.db2.gz VDYKELHOGSMOPC-UHFFFAOYSA-N 1 0 358.486 3.724 40 0 FHABRO CCNc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C(C)C)[nH+]1 ZINC000329051931 535522074 /nfs/dbraw/zinc/52/20/74/535522074.db2.gz UZTJAPNIGRXSAA-UHFFFAOYSA-N 1 0 356.470 3.612 40 0 FHABRO CC[C@@H](C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328992609 535567873 /nfs/dbraw/zinc/56/78/73/535567873.db2.gz IXQVOQKFVXSKME-CVEARBPZSA-N 1 0 368.525 3.848 40 0 FHABRO CC[C@@H](C)[NH2+][C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096242793 535606921 /nfs/dbraw/zinc/60/69/21/535606921.db2.gz GAIUIXIDXPVBKL-AEFFLSMTSA-N 1 0 352.482 3.728 40 0 FHABRO CC(C)[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289877 560031298 /nfs/dbraw/zinc/03/12/98/560031298.db2.gz PPXUAOBINJNSEJ-QUCCMNQESA-N 1 0 372.415 3.557 40 0 biogenic,in-vitro FHABRO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(NC(C)=O)cc4)C3)nc2c1 ZINC000035446806 560079269 /nfs/dbraw/zinc/07/92/69/560079269.db2.gz LJEMNKUVXMULAN-INIZCTEOSA-N 1 0 364.449 3.519 40 0 biogenic,in-vitro FHABRO C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000216324758 568118114 /nfs/dbraw/zinc/11/81/14/568118114.db2.gz IQZFMELLLJIXEM-OWCLPIDISA-N 1 0 352.906 3.592 40 0 FHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000222842146 568570845 /nfs/dbraw/zinc/57/08/45/568570845.db2.gz GCDMCKIQVSPBQN-MSOLQXFVSA-N 1 0 358.526 3.571 40 0 FHABRO COc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1Cl ZINC000223717435 568710293 /nfs/dbraw/zinc/71/02/93/568710293.db2.gz KJVZDJOLPSTRHR-UHFFFAOYSA-N 1 0 355.825 3.773 40 0 FHABRO Cc1ccc(-c2cnc3n2CCN(C)C32CC[NH+](CC3CC3)CC2)cc1 ZINC000096037090 570472100 /nfs/dbraw/zinc/47/21/00/570472100.db2.gz RZMCKRLXPRYYNZ-UHFFFAOYSA-N 1 0 350.510 3.505 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)[C@@H]1Cc1cccc(C)c1 ZINC000585286922 570494593 /nfs/dbraw/zinc/49/45/93/570494593.db2.gz XRDPBRYKPHMZQQ-VXKWHMMOSA-N 1 0 372.459 3.985 40 0 FHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCOc3ccccc3)[C@H]2O)c1 ZINC000585289524 570495536 /nfs/dbraw/zinc/49/55/36/570495536.db2.gz QZLCFNHZKJGRSP-BHDDXSALSA-N 1 0 355.478 3.715 40 0 FHABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216478 570533307 /nfs/dbraw/zinc/53/33/07/570533307.db2.gz RZQQKVMONTYONF-GOSISDBHSA-N 1 0 374.529 3.686 40 0 FHABRO CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216419 570533452 /nfs/dbraw/zinc/53/34/52/570533452.db2.gz XJQLTJSFRVFDRX-SFHVURJKSA-N 1 0 374.529 3.686 40 0 FHABRO CC[NH+](CC)CCCN(C(C)=O)c1nc(-c2ccc(OC)cc2)cs1 ZINC000004215103 570581270 /nfs/dbraw/zinc/58/12/70/570581270.db2.gz NANIXSMHGVUNKE-UHFFFAOYSA-N 1 0 361.511 3.904 40 0 FHABRO Cc1ccc([C@H](CC(=O)N[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccco2)cc1 ZINC000004812405 570607935 /nfs/dbraw/zinc/60/79/35/570607935.db2.gz ALGBIQNSNSQKKV-ZULIPRJHSA-N 1 0 354.494 3.955 40 0 FHABRO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCCCCC1 ZINC000004966485 570615008 /nfs/dbraw/zinc/61/50/08/570615008.db2.gz KMUSLVKVGCXSMS-UHFFFAOYSA-N 1 0 357.523 3.878 40 0 FHABRO S=C(NCc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000035290357 570636227 /nfs/dbraw/zinc/63/62/27/570636227.db2.gz PNNGJEOPMYKQOY-SEJPIABJSA-N 1 0 365.546 3.846 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC(=O)N4CCCCCC4)CC3)[nH]c2cc1C ZINC000035292241 570638406 /nfs/dbraw/zinc/63/84/06/570638406.db2.gz YBGOKSIFOGZCJC-UHFFFAOYSA-N 1 0 368.525 3.762 40 0 FHABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119119 570720296 /nfs/dbraw/zinc/72/02/96/570720296.db2.gz RCIYSFJSMKMOJC-QGZVFWFLSA-N 1 0 352.434 3.830 40 0 FHABRO COc1cc(C)c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1C ZINC000012135008 570720585 /nfs/dbraw/zinc/72/05/85/570720585.db2.gz KCFXASUERUKMJE-TYABSZSSSA-N 1 0 366.505 3.827 40 0 FHABRO COc1ccc2cc(C[N@H+](C)[C@H](C)Cc3ccccn3)c(OC)nc2c1 ZINC000012148177 570723094 /nfs/dbraw/zinc/72/30/94/570723094.db2.gz KDPUDVQJKPYIQY-OAHLLOKOSA-N 1 0 351.450 3.710 40 0 FHABRO CCSc1ncc(C[N@@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188848 570725226 /nfs/dbraw/zinc/72/52/26/570725226.db2.gz AHXPKXBRGRBMSW-IBGZPJMESA-N 1 0 361.486 3.601 40 0 FHABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@](O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012188841 570725265 /nfs/dbraw/zinc/72/52/65/570725265.db2.gz XSUDUSKACQCLMF-OAQYLSRUSA-N 1 0 357.425 3.737 40 0 FHABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(O)(c3ccc(C)cc3)CC1)CO2 ZINC000012328393 570737206 /nfs/dbraw/zinc/73/72/06/570737206.db2.gz BEOBBKXCVOHSGY-UHFFFAOYSA-N 1 0 365.473 3.763 40 0 FHABRO COc1ccc(C)cc1C[NH+]1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 ZINC000012330683 570737230 /nfs/dbraw/zinc/73/72/30/570737230.db2.gz MVSMEECDJSTLFM-UHFFFAOYSA-N 1 0 370.468 3.770 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(C)ccc2O3)cc1 ZINC000012329438 570737306 /nfs/dbraw/zinc/73/73/06/570737306.db2.gz IPODWICUONHWCC-NHCUHLMSSA-N 1 0 367.489 3.688 40 0 FHABRO CCCO[C@H]1CCC[N@H+](Cc2cn(CC(=O)NC(C)C)c3ccccc23)C1 ZINC000012364447 570739288 /nfs/dbraw/zinc/73/92/88/570739288.db2.gz GSLSGQLOTILTGT-IBGZPJMESA-N 1 0 371.525 3.557 40 0 FHABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000006546376 570783271 /nfs/dbraw/zinc/78/32/71/570783271.db2.gz CZPPFJWDVDPDMK-UHFFFAOYSA-N 1 0 353.491 3.718 40 0 FHABRO CCOc1cc(C[NH2+]C2CCCCCCC2)cc(Cl)c1OCC(N)=O ZINC000008253750 570794119 /nfs/dbraw/zinc/79/41/19/570794119.db2.gz FGBSEVFTSNYPMH-UHFFFAOYSA-N 1 0 368.905 3.805 40 0 FHABRO C[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000008377328 570795503 /nfs/dbraw/zinc/79/55/03/570795503.db2.gz RUMGBBFBTHWJLE-UHFFFAOYSA-N 1 0 354.219 3.895 40 0 FHABRO C[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000008377320 570795526 /nfs/dbraw/zinc/79/55/26/570795526.db2.gz KINUYPGLQRFCJC-UHFFFAOYSA-N 1 0 354.219 3.895 40 0 FHABRO CC(C)(C)SCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063587 570797567 /nfs/dbraw/zinc/79/75/67/570797567.db2.gz BZKVBXZQBKRPQW-UHFFFAOYSA-N 1 0 352.519 3.686 40 0 FHABRO COc1cc(C(=O)O[C@@H](C)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc(OC)c1OC ZINC000012318967 570812974 /nfs/dbraw/zinc/81/29/74/570812974.db2.gz IFISOMHXZPOZTF-KKUMJFAQSA-N 1 0 365.470 3.521 40 0 FHABRO CCN(CC)c1ccc(-n2nc3cc(C)c(NC(C)=O)cc3n2)c(C)c1 ZINC000014258112 570846156 /nfs/dbraw/zinc/84/61/56/570846156.db2.gz PNEDQWKQAXJZIM-UHFFFAOYSA-N 1 0 351.454 3.842 40 0 FHABRO Cc1ccc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)cc1C ZINC000022609057 570947927 /nfs/dbraw/zinc/94/79/27/570947927.db2.gz OKOZWCVMHQDUDQ-UHFFFAOYSA-N 1 0 350.510 3.739 40 0 FHABRO O=C(NC1CCCCC1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208870384 570962091 /nfs/dbraw/zinc/96/20/91/570962091.db2.gz XYFFWKNNDVHJII-UYWIDEMCSA-N 1 0 357.542 3.924 40 0 FHABRO Cc1cccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000223948122 570972662 /nfs/dbraw/zinc/97/26/62/570972662.db2.gz JTWHHVMXMCDGPL-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOCc3ccccc3)CC2)c1 ZINC000224529003 570992384 /nfs/dbraw/zinc/99/23/84/570992384.db2.gz BAIDPJMFPBJRLZ-UHFFFAOYSA-N 1 0 366.505 3.540 40 0 FHABRO O=C(NCCSC1CCCC1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225112710 571015810 /nfs/dbraw/zinc/01/58/10/571015810.db2.gz SPDFKEIWVZJRPF-UHFFFAOYSA-N 1 0 364.530 3.830 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCCC1 ZINC000225626027 571050699 /nfs/dbraw/zinc/05/06/99/571050699.db2.gz GGOGBNIWUPQZMW-KRWDZBQOSA-N 1 0 360.498 3.838 40 0 FHABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225635079 571051338 /nfs/dbraw/zinc/05/13/38/571051338.db2.gz HDUUDDQKRIJQIP-LAUBAEHRSA-N 1 0 360.498 3.695 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 ZINC000225640217 571051914 /nfs/dbraw/zinc/05/19/14/571051914.db2.gz XBWKGIRCWAPTQV-UHFFFAOYSA-N 1 0 362.514 3.941 40 0 FHABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)CC1 ZINC000225772386 571064487 /nfs/dbraw/zinc/06/44/87/571064487.db2.gz YSNVTXCSNPDXSE-UHFFFAOYSA-N 1 0 373.497 3.785 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000225813520 571069296 /nfs/dbraw/zinc/06/92/96/571069296.db2.gz DLVIPRLTFXCAKK-MRXNPFEDSA-N 1 0 372.431 3.855 40 0 FHABRO C[C@H]1CCC[N@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170674 571076468 /nfs/dbraw/zinc/07/64/68/571076468.db2.gz XNXJVORMCRDQEW-SIKLNZKXSA-N 1 0 353.506 3.928 40 0 FHABRO Cn1cc(CN(Cc2ccc(F)cc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000036740464 571081386 /nfs/dbraw/zinc/08/13/86/571081386.db2.gz CJLIABYHEIWLNV-UHFFFAOYSA-N 1 0 358.505 3.871 40 0 FHABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000038834652 571087044 /nfs/dbraw/zinc/08/70/44/571087044.db2.gz UKLKQRKCHAPPIL-MRXNPFEDSA-N 1 0 372.440 3.694 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)C1 ZINC000038849361 571087819 /nfs/dbraw/zinc/08/78/19/571087819.db2.gz IYYDQSOWIFIAMO-HNNXBMFYSA-N 1 0 352.434 3.900 40 0 FHABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044845968 571102859 /nfs/dbraw/zinc/10/28/59/571102859.db2.gz WRJRCZGDIAPEDI-WSTZPKSXSA-N 1 0 360.542 3.945 40 0 FHABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872919 571103426 /nfs/dbraw/zinc/10/34/26/571103426.db2.gz ALZDKEWQDDSDHY-OAQYLSRUSA-N 1 0 370.468 3.895 40 0 FHABRO O=C(NCCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044909246 571104455 /nfs/dbraw/zinc/10/44/55/571104455.db2.gz RGFDQPPVZJDRQU-FQEVSTJZSA-N 1 0 354.469 3.787 40 0 FHABRO CCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044912579 571104721 /nfs/dbraw/zinc/10/47/21/571104721.db2.gz ZSJNCLHOTWCRLT-LJQANCHMSA-N 1 0 370.468 3.753 40 0 FHABRO COc1ccc(-c2ncc(C[NH2+]C3(c4ccc(OC)cc4)CC3)cn2)cc1 ZINC000057823123 571123045 /nfs/dbraw/zinc/12/30/45/571123045.db2.gz PHNYRRZZRARHTK-UHFFFAOYSA-N 1 0 361.445 3.940 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC000247883779 571126262 /nfs/dbraw/zinc/12/62/62/571126262.db2.gz KDSCUESDDWYUPH-IRLDBZIGSA-N 1 0 368.477 3.540 40 0 FHABRO Cc1ccsc1CN1Cc2ccnn2C[C@H](OCc2csc(C)n2)C1 ZINC000248064970 571127362 /nfs/dbraw/zinc/12/73/62/571127362.db2.gz WQXITVHCRYNPOT-QGZVFWFLSA-N 1 0 374.535 3.619 40 0 FHABRO Cc1ncc2c(n1)[C@]1(CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C1)COC2 ZINC000248192751 571128214 /nfs/dbraw/zinc/12/82/14/571128214.db2.gz MMLLWKAZPNHEDR-QFIPXVFZSA-N 1 0 351.494 3.756 40 0 FHABRO CCC(=O)N(c1ccccc1)C1CC[NH+](C[C@H](O)c2cccs2)CC1 ZINC000263614123 571166200 /nfs/dbraw/zinc/16/62/00/571166200.db2.gz GLAAETOTOUGGSB-SFHVURJKSA-N 1 0 358.507 3.689 40 0 in-man FHABRO CC(C)C[N@@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330470 571178796 /nfs/dbraw/zinc/17/87/96/571178796.db2.gz ZRRGUCMWVIAMDN-REWPJTCUSA-N 1 0 365.521 3.850 40 0 FHABRO CC[NH+]1CCC(Oc2ncnc3c2c(C)c(C)n3Cc2ccccc2)CC1 ZINC000072335988 571178951 /nfs/dbraw/zinc/17/89/51/571178951.db2.gz DWKROYOWVLIMHL-UHFFFAOYSA-N 1 0 364.493 3.960 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cn1 ZINC000072349978 571181306 /nfs/dbraw/zinc/18/13/06/571181306.db2.gz ZBUVLOVNEBCFBY-LJQANCHMSA-N 1 0 364.468 3.925 40 0 FHABRO Cc1nccn1-c1nccnc1[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000072350649 571182046 /nfs/dbraw/zinc/18/20/46/571182046.db2.gz DBUNONFUUDPDFZ-FQEVSTJZSA-N 1 0 361.493 3.783 40 0 FHABRO Cc1cccc(Nc2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)n1 ZINC000072360967 571184360 /nfs/dbraw/zinc/18/43/60/571184360.db2.gz FFDPVGYANRTSHK-SFHVURJKSA-N 1 0 360.465 3.698 40 0 FHABRO COc1ccc(Oc2nccnc2[C@H]2CCC[N@@H+](C3CCOCC3)C2)cc1 ZINC000072362845 571184621 /nfs/dbraw/zinc/18/46/21/571184621.db2.gz ADAILIAEIFPQBV-INIZCTEOSA-N 1 0 369.465 3.636 40 0 FHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000072369888 571185091 /nfs/dbraw/zinc/18/50/91/571185091.db2.gz HQKBNNHDHRUKNB-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO Cc1cccc(Nc2ccc(C3CC[NH+](Cc4cnn(C)c4)CC3)nc2)n1 ZINC000072374250 571185388 /nfs/dbraw/zinc/18/53/88/571185388.db2.gz DVSRZWFJCJTOLQ-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccccc1F ZINC000072380344 571188126 /nfs/dbraw/zinc/18/81/26/571188126.db2.gz WRTGOEQGSKOFFC-LJQANCHMSA-N 1 0 370.472 3.755 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389955 571189295 /nfs/dbraw/zinc/18/92/95/571189295.db2.gz OHTQHNFWZFRLIA-KRWDZBQOSA-N 1 0 350.422 3.520 40 0 FHABRO C[C@@H](CCc1ccco1)[NH2+]Cc1cc(-c2ccc(F)cc2)cn2nnnc12 ZINC000072392369 571189917 /nfs/dbraw/zinc/18/99/17/571189917.db2.gz PHILHLAQKAMLND-AWEZNQCLSA-N 1 0 365.412 3.634 40 0 FHABRO COc1ccc2c(c1)c(C[N@@H+]1CCC[C@@H](Cn3ccnc3C)C1)c(C)n2C ZINC000072392147 571189974 /nfs/dbraw/zinc/18/99/74/571189974.db2.gz VMSARXXENCBJRJ-GOSISDBHSA-N 1 0 366.509 3.912 40 0 FHABRO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1N(C)C)cn2C ZINC000072395501 571190616 /nfs/dbraw/zinc/19/06/16/571190616.db2.gz VMWOPEQPSFORLT-JTHBVZDNSA-N 1 0 363.505 3.717 40 0 FHABRO CCn1cc(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 ZINC000585100679 571221335 /nfs/dbraw/zinc/22/13/35/571221335.db2.gz SMLMDBYWRHUNIP-QFIPXVFZSA-N 1 0 372.557 3.830 40 0 FHABRO COc1cccc2cc(C(=O)N3CCC[C@]4(CC[N@@H+]4CC(C)C)C3)oc21 ZINC000585102055 571222211 /nfs/dbraw/zinc/22/22/11/571222211.db2.gz OWJAYCFOUXXANQ-NRFANRHFSA-N 1 0 356.466 3.778 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)cc1 ZINC000585105376 571223727 /nfs/dbraw/zinc/22/37/27/571223727.db2.gz VOONLGJIBBMYGW-FQEVSTJZSA-N 1 0 359.510 3.883 40 0 FHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1 ZINC000585182243 571238344 /nfs/dbraw/zinc/23/83/44/571238344.db2.gz CSRMBCCQYPCKRA-KRWDZBQOSA-N 1 0 355.507 3.671 40 0 FHABRO CC(=O)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000002701385 571259158 /nfs/dbraw/zinc/25/91/58/571259158.db2.gz CYURWTUTRZNZFG-OAQYLSRUSA-N 1 0 367.489 3.584 40 0 FHABRO C[C@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000253603526 571291834 /nfs/dbraw/zinc/29/18/34/571291834.db2.gz ZDJXYZAJHDCBSI-DOTOQJQBSA-N 1 0 366.509 3.671 40 0 FHABRO C[C@@H]1C[N@H+](C)CC[C@H]1CCc1ccc(NC(=O)c2n[nH]c3c2CCC3)cc1 ZINC000253603527 571291866 /nfs/dbraw/zinc/29/18/66/571291866.db2.gz ZDJXYZAJHDCBSI-NVXWUHKLSA-N 1 0 366.509 3.671 40 0 FHABRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)c1 ZINC000012329693 571303489 /nfs/dbraw/zinc/30/34/89/571303489.db2.gz HYMIIRVRJSDLIF-QTGUNEKASA-N 1 0 367.489 3.824 40 0 FHABRO C[C@H](CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccncc3)n2)C1)c1ccccc1 ZINC000019455610 571304071 /nfs/dbraw/zinc/30/40/71/571304071.db2.gz WTNDVPBYVSXRMO-YLJYHZDGSA-N 1 0 374.488 3.815 40 0 FHABRO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2Cc1nc2ccccc2n1C(C)C ZINC000019712570 571304571 /nfs/dbraw/zinc/30/45/71/571304571.db2.gz JCEIIRKGMJUUOW-WOJBJXKFSA-N 1 0 354.498 3.593 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1ccc(F)c(F)c1 ZINC000019712591 571304610 /nfs/dbraw/zinc/30/46/10/571304610.db2.gz QATPBMWKUODAHM-WEYGHZABSA-N 1 0 370.443 3.992 40 0 FHABRO CC[NH+](CC)CC[C@H](C)N[C@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188779 571321070 /nfs/dbraw/zinc/32/10/70/571321070.db2.gz LOMZMUNJURXOMN-OALUTQOASA-N 1 0 372.561 3.686 40 0 FHABRO c1csc(-c2ccc(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nn2)c1 ZINC000409430509 931630967 /nfs/dbraw/zinc/63/09/67/931630967.db2.gz WJOUWGRPDZGMHO-HDICACEKSA-N 1 0 362.502 3.773 40 0 FHABRO CN1CCC([NH+]2CCC(C)(c3ncc(Cc4cccc(F)c4)o3)CC2)CC1 ZINC000257288726 530049884 /nfs/dbraw/zinc/04/98/84/530049884.db2.gz PVIISNCRJLTDMH-UHFFFAOYSA-N 1 0 371.500 3.852 40 0 FHABRO CCn1c(C)[n+](C[C@H](O)COc2ccc(C(C)C)cc2)c2ccccc21 ZINC000000781048 219320172 /nfs/dbraw/zinc/32/01/72/219320172.db2.gz JUNMZRQPVHCEQK-IBGZPJMESA-N 1 0 353.486 3.820 40 0 FHABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c(C)c1 ZINC000224094751 222806960 /nfs/dbraw/zinc/80/69/60/222806960.db2.gz DUWCBYGBJMMRMH-UHFFFAOYSA-N 1 0 352.478 3.708 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1 ZINC000224791071 222820110 /nfs/dbraw/zinc/82/01/10/222820110.db2.gz RDHBDZBEAXBMFH-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccc(C(=O)N2[C@H](c3ccccc3)C[C@@H]3[C@@H]2CCCC[N@H+]3C)c(=O)[nH]1 ZINC000257209617 223020524 /nfs/dbraw/zinc/02/05/24/223020524.db2.gz BRDIGORZHUMEKC-SLFFLAALSA-N 1 0 365.477 3.536 40 0 FHABRO Cc1csc(Nc2cccc(CC3CC[NH+]([C@@H](C)CCO)CC3)n2)n1 ZINC000257201442 223016972 /nfs/dbraw/zinc/01/69/72/223016972.db2.gz AHSMMUDTDNNEHW-HNNXBMFYSA-N 1 0 360.527 3.616 40 0 FHABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3nccs3)C2)n1 ZINC000257213037 223021177 /nfs/dbraw/zinc/02/11/77/223021177.db2.gz CFXQDHRWVKYRLN-OAHLLOKOSA-N 1 0 354.479 3.875 40 0 FHABRO Cn1cncc1-c1cncc(C2CC[NH+](Cc3cc(F)cc(F)c3)CC2)n1 ZINC000257218327 223025249 /nfs/dbraw/zinc/02/52/49/223025249.db2.gz DCTDUYOYNBRABS-UHFFFAOYSA-N 1 0 369.419 3.535 40 0 FHABRO Cc1cc(C)nc(Nc2ccc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)nc2)n1 ZINC000257230019 223029814 /nfs/dbraw/zinc/02/98/14/223029814.db2.gz GAKHFGXCYGBGII-FQEVSTJZSA-N 1 0 367.497 3.938 40 0 FHABRO COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257243632 223035197 /nfs/dbraw/zinc/03/51/97/223035197.db2.gz IHWATVZSJVTJNG-BPDSMXLESA-N 1 0 370.537 3.544 40 0 FHABRO Cc1nc(-c2ncc[nH]2)cc(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000257284788 223051102 /nfs/dbraw/zinc/05/11/02/223051102.db2.gz PEHRQXRGLIQGCE-UHFFFAOYSA-N 1 0 351.429 3.694 40 0 FHABRO O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1 ZINC000257329949 223068144 /nfs/dbraw/zinc/06/81/44/223068144.db2.gz XMDOXBAHPVSEOD-PGRDOPGGSA-N 1 0 365.521 3.823 40 0 FHABRO Cc1ncsc1C[N@@H+]1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000257335404 223070910 /nfs/dbraw/zinc/07/09/10/223070910.db2.gz YJZQQRFAKPCWIZ-PMACEKPBSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1nc2c(n1CC1CC1)CN(Cc1cccs1)CC21CC[NH+](C)CC1 ZINC000306127143 223107444 /nfs/dbraw/zinc/10/74/44/223107444.db2.gz FPJMVFRFOUCLJD-UHFFFAOYSA-N 1 0 370.566 3.642 40 0 FHABRO Cc1cc(Nc2cc(-c3ccccc3)nc(NCC[NH+](C)C)n2)ccc1F ZINC000329059158 223131054 /nfs/dbraw/zinc/13/10/54/223131054.db2.gz WGISCWQCOKTNNX-UHFFFAOYSA-N 1 0 365.456 3.730 40 0 FHABRO Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000015357222 220152175 /nfs/dbraw/zinc/15/21/75/220152175.db2.gz FQLNZXVTZNCXRE-UHFFFAOYSA-N 1 0 372.534 3.768 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@H]([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)C1 ZINC000019019652 220232727 /nfs/dbraw/zinc/23/27/27/220232727.db2.gz QMGLMUCBHRPOGI-MZKRTTBSSA-N 1 0 368.521 3.864 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1 ZINC000019078015 220235423 /nfs/dbraw/zinc/23/54/23/220235423.db2.gz QCSRFBTZDMDDQU-AWEZNQCLSA-N 1 0 367.424 3.876 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)cc(N)n2n1 ZINC000019129317 220236797 /nfs/dbraw/zinc/23/67/97/220236797.db2.gz UYXMQTCKUJGEQX-HNNXBMFYSA-N 1 0 355.873 3.653 40 0 FHABRO COc1nc2cc(C)ccc2cc1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000019234257 220240936 /nfs/dbraw/zinc/24/09/36/220240936.db2.gz JCPVBXJVZBDSKF-UHFFFAOYSA-N 1 0 364.493 3.511 40 0 FHABRO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3cccc(OC(C)C)c3)C[C@@H]21 ZINC000019237868 220243491 /nfs/dbraw/zinc/24/34/91/220243491.db2.gz VIMAFIYEESHZQZ-UNWVZKJWSA-N 1 0 366.505 3.907 40 0 FHABRO Cc1ccnn1C[C@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019238337 220243572 /nfs/dbraw/zinc/24/35/72/220243572.db2.gz MEZQQAFZRJMDBK-FUHWJXTLSA-N 1 0 374.554 3.623 40 0 FHABRO c1cncc(-c2noc([C@@H]3CC[N@@H+](Cc4cccc5cccnc54)C3)n2)c1 ZINC000019347291 220251155 /nfs/dbraw/zinc/25/11/55/220251155.db2.gz ULWWSJOIHUAKPE-GOSISDBHSA-N 1 0 357.417 3.669 40 0 FHABRO O=c1cc([C@H]2CCCC[N@@H+]2Cc2cccs2)nc(-c2ccncc2)[nH]1 ZINC000019343482 220251955 /nfs/dbraw/zinc/25/19/55/220251955.db2.gz OCLWFEXEIUTSCV-QGZVFWFLSA-N 1 0 352.463 3.621 40 0 FHABRO O=C1CCC[C@]2(C[N@H+](Cc3ccc(F)cc3)C[C@H]2c2cc(F)ccc2F)N1 ZINC000019334493 220251977 /nfs/dbraw/zinc/25/19/77/220251977.db2.gz BNFOKKPQYANLGB-GHTZIAJQSA-N 1 0 374.406 3.742 40 0 FHABRO O=C(NC1CC[NH+](CC2(c3ccccc3)CCCCC2)CC1)[C@H]1CCCO1 ZINC000019369758 220253317 /nfs/dbraw/zinc/25/33/17/220253317.db2.gz FYNHOTYPUKCJSI-OAQYLSRUSA-N 1 0 370.537 3.648 40 0 FHABRO OCC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Oc2ccccc2)c1 ZINC000019373576 220256316 /nfs/dbraw/zinc/25/63/16/220256316.db2.gz WLUGVQIVOLACTM-PMACEKPBSA-N 1 0 352.478 3.510 40 0 FHABRO COc1ccc(C[N@@H+](Cc2ccc3ccccc3n2)C[C@H](C)O)cc1OC ZINC000019456003 220258200 /nfs/dbraw/zinc/25/82/00/220258200.db2.gz PPPZPCFNJKUAEN-INIZCTEOSA-N 1 0 366.461 3.635 40 0 FHABRO CC(C)c1ccc(CN2CCc3nc(C4CC[NH2+]CC4)ncc3C2)cc1 ZINC000019453304 220258390 /nfs/dbraw/zinc/25/83/90/220258390.db2.gz JFCDWFMXVRWNTR-UHFFFAOYSA-N 1 0 350.510 3.625 40 0 FHABRO CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2C[NH+]2CCC(C)CC2)C1 ZINC000019496920 220262810 /nfs/dbraw/zinc/26/28/10/220262810.db2.gz GTVODPQKIFBBFV-QGZVFWFLSA-N 1 0 354.498 3.521 40 0 FHABRO CCC(=O)N[C@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019499267 220263147 /nfs/dbraw/zinc/26/31/47/220263147.db2.gz QAMNTSOZPXCCRN-YJBOKZPZSA-N 1 0 361.486 3.762 40 0 FHABRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nn(C)c3ncccc23)C1 ZINC000019520173 220265683 /nfs/dbraw/zinc/26/56/83/220265683.db2.gz HQWVIHUPBZGVGY-QGZVFWFLSA-N 1 0 350.466 3.747 40 0 FHABRO COc1ccc(C(=O)N2CCC[C@@H](c3cc4c[nH+]ccc4[nH]3)C2)cc1F ZINC000019559518 220271676 /nfs/dbraw/zinc/27/16/76/220271676.db2.gz YCRWNKGWUJLPBO-CQSZACIVSA-N 1 0 353.397 3.730 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3nnc(-c4scnc4C)o3)CC2)cc1 ZINC000019563191 220274131 /nfs/dbraw/zinc/27/41/31/220274131.db2.gz KWLPOIHJAIIVLZ-UHFFFAOYSA-N 1 0 370.478 3.890 40 0 FHABRO CN(C)c1ncccc1C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000019584107 220275672 /nfs/dbraw/zinc/27/56/72/220275672.db2.gz PBMORISVHVGGGA-UHFFFAOYSA-N 1 0 354.429 3.808 40 0 FHABRO Cc1noc(C)c1C(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@H+]2C ZINC000019580081 220276097 /nfs/dbraw/zinc/27/60/97/220276097.db2.gz HYAJPSARFFFBNC-SFHLNBCPSA-N 1 0 367.493 3.774 40 0 FHABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019593867 220278392 /nfs/dbraw/zinc/27/83/92/220278392.db2.gz YKSBZZSRYMGFJO-UGESXGAOSA-N 1 0 351.494 3.728 40 0 FHABRO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cccnc1 ZINC000019590817 220278562 /nfs/dbraw/zinc/27/85/62/220278562.db2.gz LOTGOKQOXWJYIZ-HBMCJLEFSA-N 1 0 367.468 3.703 40 0 FHABRO C[NH2+]C1CCC2(CC1)CN(C(=O)Cc1ccccc1)Cc1ccccc1O2 ZINC000019592000 220279151 /nfs/dbraw/zinc/27/91/51/220279151.db2.gz CWSBKZACDALVOX-UHFFFAOYSA-N 1 0 364.489 3.551 40 0 FHABRO CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000019588984 220279244 /nfs/dbraw/zinc/27/92/44/220279244.db2.gz MZXITCUZGLDICB-OAQYLSRUSA-N 1 0 350.510 3.624 40 0 FHABRO Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)cc(-c2cc[nH]n2)n1 ZINC000019655520 220280862 /nfs/dbraw/zinc/28/08/62/220280862.db2.gz ANNMCAKAPSIPEK-LJQANCHMSA-N 1 0 366.444 3.563 40 0 FHABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 ZINC000019690536 220285948 /nfs/dbraw/zinc/28/59/48/220285948.db2.gz KQYBMGXHFPBZMG-UHFFFAOYSA-N 1 0 364.468 3.925 40 0 FHABRO Cc1nccn1CC1CC[NH+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000019714483 220288884 /nfs/dbraw/zinc/28/88/84/220288884.db2.gz YFQSWPKPGACRBC-UHFFFAOYSA-N 1 0 369.900 3.943 40 0 FHABRO Cc1nc(N)cc(CC2CC[NH+](Cc3ccc(-c4ccccn4)cc3)CC2)n1 ZINC000019758803 220294857 /nfs/dbraw/zinc/29/48/57/220294857.db2.gz PIPJORYISVVRAD-UHFFFAOYSA-N 1 0 373.504 3.884 40 0 FHABRO CC(C)c1csc(NC(=O)CC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000019748889 220293764 /nfs/dbraw/zinc/29/37/64/220293764.db2.gz JZAYXKYNHAHMAX-UHFFFAOYSA-N 1 0 358.511 3.902 40 0 FHABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000022521478 220389919 /nfs/dbraw/zinc/38/99/19/220389919.db2.gz VSDICTIBFXTJTM-LZJOCLMNSA-N 1 0 360.542 3.945 40 0 FHABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872914 220962222 /nfs/dbraw/zinc/96/22/22/220962222.db2.gz ALZDKEWQDDSDHY-NRFANRHFSA-N 1 0 370.468 3.895 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(Br)cc2)C1 ZINC000067802698 221286648 /nfs/dbraw/zinc/28/66/48/221286648.db2.gz WLTNTLZNFINQER-HNNXBMFYSA-N 1 0 369.303 3.938 40 0 FHABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CC2)[nH+]1 ZINC000329016443 132297635 /nfs/dbraw/zinc/29/76/35/132297635.db2.gz NGNXWQKTFPJBHY-UHFFFAOYSA-N 1 0 359.271 3.685 40 0 FHABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000329056686 132373150 /nfs/dbraw/zinc/37/31/50/132373150.db2.gz VTGGWRPCJJLERZ-GOSISDBHSA-N 1 0 374.916 3.684 40 0 FHABRO Cc1ccc(S[C@H](C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000072601038 136149897 /nfs/dbraw/zinc/14/98/97/136149897.db2.gz HTYSHGIWTLMXLB-QGZVFWFLSA-N 1 0 369.534 3.866 40 0 FHABRO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCN(c4ccc(F)cc4F)CC3)c2c1 ZINC000019220559 136152269 /nfs/dbraw/zinc/15/22/69/136152269.db2.gz ZZITWIHZRZVKDX-NRFANRHFSA-N 1 0 371.431 3.610 40 0 FHABRO O=C(c1ccsc1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000096047276 222000037 /nfs/dbraw/zinc/00/00/37/222000037.db2.gz SOPATGJKMHLACT-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053248 222003348 /nfs/dbraw/zinc/00/33/48/222003348.db2.gz LYBXZCYWUJPCML-KRWDZBQOSA-N 1 0 370.518 3.785 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccncc3)CC2)c2ccccc21 ZINC000096052718 222003573 /nfs/dbraw/zinc/00/35/73/222003573.db2.gz IBNUMYJLPPCZTB-IBGZPJMESA-N 1 0 363.505 3.581 40 0 FHABRO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096100329 222022138 /nfs/dbraw/zinc/02/21/38/222022138.db2.gz CRFHLKMZOFBSOI-JOCHJYFZSA-N 1 0 350.437 3.726 40 0 FHABRO COc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)cc1 ZINC000096239576 222093567 /nfs/dbraw/zinc/09/35/67/222093567.db2.gz QKWMQDSSHPCFBK-HXUWFJFHSA-N 1 0 373.447 3.828 40 0 FHABRO Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CC[N@H+](Cc2cccnc2)C1 ZINC000096244653 222099033 /nfs/dbraw/zinc/09/90/33/222099033.db2.gz BXHGOTKHDZBRSN-QHCPKHFHSA-N 1 0 372.472 3.521 40 0 FHABRO Fc1ccc(-c2cnc3n2CCNC32CC[NH+](C3CCCC3)CC2)cc1 ZINC000096145057 222047897 /nfs/dbraw/zinc/04/78/97/222047897.db2.gz ABMREVHCTVLLNH-UHFFFAOYSA-N 1 0 354.473 3.526 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)cs1 ZINC000096209409 222080665 /nfs/dbraw/zinc/08/06/65/222080665.db2.gz VFAJADJWECPXPX-IBGZPJMESA-N 1 0 358.507 3.731 40 0 FHABRO COc1cc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000107326528 222391915 /nfs/dbraw/zinc/39/19/15/222391915.db2.gz XLTHLDILRPMXCA-LNLFQRSKSA-N 1 0 374.525 3.611 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(C)cc(C)cc1C ZINC000010544198 263366316 /nfs/dbraw/zinc/36/63/16/263366316.db2.gz LAAWTQWCUMQMCT-GOSISDBHSA-N 1 0 352.544 3.545 40 0 FHABRO Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)cn1 ZINC000257213843 534132269 /nfs/dbraw/zinc/13/22/69/534132269.db2.gz CJHVZZRESURMRY-FQEVSTJZSA-N 1 0 351.494 3.547 40 0 FHABRO COC(C)(C)C(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)[nH+]2)CC1 ZINC000257253603 534417885 /nfs/dbraw/zinc/41/78/85/534417885.db2.gz JZOBUOCDJJVRRD-UHFFFAOYSA-N 1 0 368.481 3.660 40 0 FHABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 ZINC000257248693 534479399 /nfs/dbraw/zinc/47/93/99/534479399.db2.gz JEUDUOPIRWVVAP-CQSZACIVSA-N 1 0 369.419 3.600 40 0 FHABRO c1cncc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306137932 534508349 /nfs/dbraw/zinc/50/83/49/534508349.db2.gz RKGNRFLJMRVDNS-FQEVSTJZSA-N 1 0 370.460 3.566 40 0 FHABRO c1csc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306143852 534520277 /nfs/dbraw/zinc/52/02/77/534520277.db2.gz YOLYAIIYTKPALH-OAQYLSRUSA-N 1 0 362.502 3.702 40 0 FHABRO c1csc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306124111 534520526 /nfs/dbraw/zinc/52/05/26/534520526.db2.gz BGHCPONYBNOAJD-QGZVFWFLSA-N 1 0 361.474 3.842 40 0 FHABRO CCCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020121714 521246344 /nfs/dbraw/zinc/24/63/44/521246344.db2.gz RDWKFJIHDGZGEQ-HXUWFJFHSA-N 1 0 374.577 3.970 40 0 FHABRO CC(C)(C)NC(=O)c1ccc2c(c1)C1(CCO2)CC[NH+](CC2CC2)CC1 ZINC000306128418 526324824 /nfs/dbraw/zinc/32/48/24/526324824.db2.gz GZRUPCPLHGONRF-UHFFFAOYSA-N 1 0 356.510 3.741 40 0 FHABRO CC(C)(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)n1 ZINC000329051469 526336449 /nfs/dbraw/zinc/33/64/49/526336449.db2.gz UXVIZPWCLAVDCX-UHFFFAOYSA-N 1 0 353.514 3.578 40 0 FHABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@@H]12 ZINC000306139889 529072718 /nfs/dbraw/zinc/07/27/18/529072718.db2.gz UDMSCPZDEJHFCF-FYYLOGMGSA-N 1 0 363.505 3.625 40 0 FHABRO CC(C)[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccncc3)C(=O)C[C@H]12 ZINC000306139892 529072788 /nfs/dbraw/zinc/07/27/88/529072788.db2.gz UDMSCPZDEJHFCF-JTHBVZDNSA-N 1 0 363.505 3.625 40 0 FHABRO CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113959946 536045055 /nfs/dbraw/zinc/04/50/55/536045055.db2.gz ZKTGXXCDVGFDRW-NRFANRHFSA-N 1 0 367.493 3.543 40 0 FHABRO c1csc(C[NH+]2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)c1 ZINC000096038265 570472488 /nfs/dbraw/zinc/47/24/88/570472488.db2.gz XKWPTTPUYDAGMQ-UHFFFAOYSA-N 1 0 367.522 3.771 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccccn2)C3)cc1 ZINC000096046951 570472982 /nfs/dbraw/zinc/47/29/82/570472982.db2.gz NJAOWTPPKYPKKH-QFIPXVFZSA-N 1 0 351.494 3.578 40 0 FHABRO c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)c1 ZINC000096040172 570473092 /nfs/dbraw/zinc/47/30/92/570473092.db2.gz ZUZCLTRYPZAVFM-WOJBJXKFSA-N 1 0 358.507 3.731 40 0 FHABRO Clc1ccc2ncc(-c3cccc(C[C@@H]4CC[C@H]5C[NH2+]C[C@H]54)n3)n2c1 ZINC000585262936 570482010 /nfs/dbraw/zinc/48/20/10/570482010.db2.gz QAPKNTUMKCRVKB-ZQIUZPCESA-N 1 0 352.869 3.838 40 0 FHABRO Cc1ccc(OC[C@]2(O)CCC[N@H+](Cc3ccc(O)cc3)CC2)c(C)c1 ZINC000585272448 570486826 /nfs/dbraw/zinc/48/68/26/570486826.db2.gz IUTOKCFSYFYTCO-QFIPXVFZSA-N 1 0 355.478 3.805 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2)[C@@H]1Cc1cccc(C)c1 ZINC000585283935 570493653 /nfs/dbraw/zinc/49/36/53/570493653.db2.gz DIAGNDLPLNWGMT-GOTSBHOMSA-N 1 0 350.506 3.749 40 0 FHABRO Cc1cccc(N2CCC(O)(C[N@@H+]3CCC[C@H]4OC(C)(C)CC[C@H]43)CC2)c1 ZINC000585284673 570493951 /nfs/dbraw/zinc/49/39/51/570493951.db2.gz HZAOSAABLPLBLS-NHCUHLMSSA-N 1 0 372.553 3.748 40 0 FHABRO Cc1ccc(CC[NH2+][C@H]2CCC[C@@H](Oc3ccccc3F)[C@@H]2O)cc1C ZINC000585289303 570495112 /nfs/dbraw/zinc/49/51/12/570495112.db2.gz HUEGBLINHUBPDE-KSEOMHKRSA-N 1 0 357.469 3.936 40 0 FHABRO O[C@H]1[C@H](Oc2ccccc2F)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000585289525 570495544 /nfs/dbraw/zinc/49/55/44/570495544.db2.gz QZVPQSOXGUTVGB-QXAKKESOSA-N 1 0 351.368 3.555 40 0 FHABRO CN(CC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2Cl)[C@@H]1O)c1ccccc1 ZINC000585290537 570495916 /nfs/dbraw/zinc/49/59/16/570495916.db2.gz XUHMOBFTIYRSJO-CEWLAPEOSA-N 1 0 374.912 3.727 40 0 FHABRO Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219426 570534882 /nfs/dbraw/zinc/53/48/82/570534882.db2.gz PWFHRXNKDUNQHX-NRFANRHFSA-N 1 0 351.494 3.954 40 0 FHABRO O=C1C=C(N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)C2(CCCCC2)O1 ZINC000004101122 570575969 /nfs/dbraw/zinc/57/59/69/570575969.db2.gz ROTMHQLXSBSDJI-UHFFFAOYSA-N 1 0 370.537 3.716 40 0 FHABRO CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@H]1CC ZINC000005353558 570623881 /nfs/dbraw/zinc/62/38/81/570623881.db2.gz XVPICYCPIBJEBT-FKTQOLNDSA-N 1 0 359.466 3.522 40 0 FHABRO COc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000007538009 570665919 /nfs/dbraw/zinc/66/59/19/570665919.db2.gz DEDIZXPSIYJIPC-UHFFFAOYSA-N 1 0 370.493 3.587 40 0 FHABRO Cc1ccc(SCC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008012246 570676086 /nfs/dbraw/zinc/67/60/86/570676086.db2.gz BJQBDIJABKCFDR-UHFFFAOYSA-N 1 0 354.519 3.999 40 0 FHABRO CCOc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1F ZINC000008254171 570679077 /nfs/dbraw/zinc/67/90/77/570679077.db2.gz YYKRQEUASAFVCR-ZDUSSCGKSA-N 1 0 367.848 3.927 40 0 FHABRO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000008687072 570684809 /nfs/dbraw/zinc/68/48/09/570684809.db2.gz LKAUYFUJHOLBHK-MQVJKMGUSA-N 1 0 351.585 3.754 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012116971 570719684 /nfs/dbraw/zinc/71/96/84/570719684.db2.gz OXEZVQWGKBKYSZ-UHFFFAOYSA-N 1 0 369.490 3.630 40 0 FHABRO FC(F)(F)c1cc([C@@H]2C[N@H+](C[C@H]3CCOC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129194 570720604 /nfs/dbraw/zinc/72/06/04/570720604.db2.gz OAGWJYMYJUEBIF-VNQPRFMTSA-N 1 0 365.399 3.648 40 0 FHABRO Cc1ccc(C2(O)CC[NH+](Cc3cncn3Cc3ccccc3)CC2)cc1 ZINC000012147601 570723188 /nfs/dbraw/zinc/72/31/88/570723188.db2.gz SYHIZYSUGVFEJK-UHFFFAOYSA-N 1 0 361.489 3.723 40 0 FHABRO COc1ccc(C[N@@H+](Cc2[nH]c3ccccc3c2C)C[C@H](C)O)cc1OC ZINC000012185545 570724673 /nfs/dbraw/zinc/72/46/73/570724673.db2.gz OWPZRJNRXHONRH-HNNXBMFYSA-N 1 0 368.477 3.877 40 0 FHABRO Cc1cc2c(cc1C[N@@H+]1CCC[C@@](O)(c3ccc(F)cc3)CC1)OCO2 ZINC000012188840 570725386 /nfs/dbraw/zinc/72/53/86/570725386.db2.gz XSUDUSKACQCLMF-NRFANRHFSA-N 1 0 357.425 3.737 40 0 FHABRO C[NH+](C)CCCNc1ncc(-c2ncc[nH]2)c(-c2ccc(Cl)cc2)n1 ZINC000012221340 570728956 /nfs/dbraw/zinc/72/89/56/570728956.db2.gz ZXLKJRJEWGOGKV-UHFFFAOYSA-N 1 0 356.861 3.551 40 0 FHABRO Cc1cc(C[NH+]2CCC(O)(Cn3ccc4ncccc43)CC2)c(C)s1 ZINC000012222964 570729446 /nfs/dbraw/zinc/72/94/46/570729446.db2.gz CJQOANXUYJNYMZ-UHFFFAOYSA-N 1 0 355.507 3.742 40 0 FHABRO Cc1ccc(C(=O)N2Cc3cc(C)ccc3OC3(CC[NH+](C)CC3)C2)s1 ZINC000012228243 570729944 /nfs/dbraw/zinc/72/99/44/570729944.db2.gz SIMPDIVWTYKQLP-UHFFFAOYSA-N 1 0 370.518 3.864 40 0 FHABRO Cc1nc(-c2ccc(C)cc2)c(CC(=O)N(C)CC[NH+]2CCCCC2)s1 ZINC000012238210 570730409 /nfs/dbraw/zinc/73/04/09/570730409.db2.gz QDNHCJUIVQMJSH-UHFFFAOYSA-N 1 0 371.550 3.914 40 0 FHABRO Cc1ccc(C2(O)CC[NH+](Cc3ccc(N4CCCC4=O)cc3)CC2)cc1 ZINC000012292750 570732281 /nfs/dbraw/zinc/73/22/81/570732281.db2.gz MJNYUZITZXIIDF-UHFFFAOYSA-N 1 0 364.489 3.605 40 0 FHABRO O=C(c1ccc(F)cc1)N1CCCc2cc([C@@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291334 570732356 /nfs/dbraw/zinc/73/23/56/570732356.db2.gz BKYSWMLEZSHCMW-NRFANRHFSA-N 1 0 368.452 3.548 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2cccc(OC(C)C)c2)CC1 ZINC000012292908 570732769 /nfs/dbraw/zinc/73/27/69/570732769.db2.gz GBBAJNMPMJQLSZ-UHFFFAOYSA-N 1 0 355.478 3.966 40 0 FHABRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 ZINC000012328606 570737400 /nfs/dbraw/zinc/73/74/00/570737400.db2.gz HUZDWIHVNCFQKK-UHFFFAOYSA-N 1 0 350.422 3.520 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000012344574 570738312 /nfs/dbraw/zinc/73/83/12/570738312.db2.gz BFAMTNQSCNHRES-UHFFFAOYSA-N 1 0 357.498 3.573 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccccc2OC)cc1 ZINC000006629906 570783892 /nfs/dbraw/zinc/78/38/92/570783892.db2.gz BBEHNXNVWIOBHO-UHFFFAOYSA-N 1 0 371.506 3.664 40 0 FHABRO C[NH+]1CCN(c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000023102912 570955943 /nfs/dbraw/zinc/95/59/43/570955943.db2.gz RKXBKRRQYKWIQM-UHFFFAOYSA-N 1 0 360.914 3.901 40 0 FHABRO C[NH+](C)CCN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccs1 ZINC000023247871 570960980 /nfs/dbraw/zinc/96/09/80/570960980.db2.gz HYVLZDJCNKMMLW-UHFFFAOYSA-N 1 0 358.486 3.637 40 0 FHABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000224551922 570992773 /nfs/dbraw/zinc/99/27/73/570992773.db2.gz DCVKVCZWTATEMF-UHFFFAOYSA-N 1 0 356.441 3.823 40 0 FHABRO S=C(Nc1ccccc1Cl)N1CC[NH+](C2CCSCC2)CC1 ZINC000225215752 571022425 /nfs/dbraw/zinc/02/24/25/571022425.db2.gz UNBDEGCAGPRNCJ-UHFFFAOYSA-N 1 0 355.960 3.550 40 0 FHABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3ccncc3)c2c1 ZINC000225217704 571022578 /nfs/dbraw/zinc/02/25/78/571022578.db2.gz CWQGVXSAMWWGTD-UHFFFAOYSA-N 1 0 351.479 3.645 40 0 FHABRO O=C(CCc1ccc(Cl)cc1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000225310677 571027396 /nfs/dbraw/zinc/02/73/96/571027396.db2.gz KLPPQGXUZCIITA-UHFFFAOYSA-N 1 0 356.897 3.837 40 0 FHABRO CCC[C@](C)(OC)C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1 ZINC000225611874 571049557 /nfs/dbraw/zinc/04/95/57/571049557.db2.gz LSBMFNIZVNXNGC-FQEVSTJZSA-N 1 0 350.503 3.941 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225643751 571052286 /nfs/dbraw/zinc/05/22/86/571052286.db2.gz NJAJLLUCINIMFQ-NRFANRHFSA-N 1 0 360.498 3.551 40 0 FHABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000032462942 571057775 /nfs/dbraw/zinc/05/77/75/571057775.db2.gz QKACQNVRIJGPEN-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CCCOC(C(=O)OC1CC[NH2+]CC1)(c1ccccc1)c1ccccc1 ZINC000035813873 571078706 /nfs/dbraw/zinc/07/87/06/571078706.db2.gz FMRVAGKPRZLTRG-UHFFFAOYSA-N 1 0 353.462 3.652 40 0 in-vitro FHABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038834451 571087150 /nfs/dbraw/zinc/08/71/50/571087150.db2.gz PWXWTFBNHKMZSS-IBGZPJMESA-N 1 0 366.461 3.714 40 0 FHABRO O=C(NCCSc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038836533 571087686 /nfs/dbraw/zinc/08/76/86/571087686.db2.gz LXFPJVKIBLWNJE-GOSISDBHSA-N 1 0 372.509 3.946 40 0 FHABRO Cc1cccc(CS(=O)(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000044874785 571103410 /nfs/dbraw/zinc/10/34/10/571103410.db2.gz RLYPUFNWHYBHEU-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000046374931 571107111 /nfs/dbraw/zinc/10/71/11/571107111.db2.gz ZPPIQFLYKSHPNC-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO c1nc(Nc2cc(C[C@@H]3C[NH2+]CCOC3)ccn2)sc1-c1ccccc1 ZINC000585263248 571125550 /nfs/dbraw/zinc/12/55/50/571125550.db2.gz RWZDNNJIFUINQI-MRXNPFEDSA-N 1 0 366.490 3.727 40 0 FHABRO Cc1cc(C)cc(CN2Cc3cncn3[C@@H](COCC3CCOCC3)C2)c1 ZINC000247913033 571126075 /nfs/dbraw/zinc/12/60/75/571126075.db2.gz LQFZEOCZDTZSJS-JOCHJYFZSA-N 1 0 369.509 3.500 40 0 FHABRO Cc1ccsc1CN1Cc2cncn2[C@H](COCc2csc(C)n2)C1 ZINC000248038910 571127393 /nfs/dbraw/zinc/12/73/93/571127393.db2.gz OGEKYLZNBZCDMW-KRWDZBQOSA-N 1 0 374.535 3.792 40 0 FHABRO Cc1ccc(C[N@@H+]2CCO[C@H]3C[C@@H](COCc4cccc(C)n4)C[C@H]32)s1 ZINC000248127790 571127773 /nfs/dbraw/zinc/12/77/73/571127773.db2.gz XODLUZWKOYXKFN-WMQCIHAUSA-N 1 0 372.534 3.956 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H](C[NH2+]Cc2cccc(Br)c2)C1 ZINC000089223551 571139376 /nfs/dbraw/zinc/13/93/76/571139376.db2.gz SUGRDCYKGDSWBM-CQSZACIVSA-N 1 0 369.303 3.796 40 0 FHABRO O=c1c2ccccc2c(Cc2ccc(Cl)cc2)nn1[C@H]1CCC[NH2+]CC1 ZINC000006117751 571151042 /nfs/dbraw/zinc/15/10/42/571151042.db2.gz WRYCMIFVXDQIKN-KRWDZBQOSA-N 1 0 367.880 3.955 40 0 world FHABRO CCCCC(=O)N1CCC[C@@H]([N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1 ZINC000072342508 571179617 /nfs/dbraw/zinc/17/96/17/571179617.db2.gz BPMSWIXPPOYMTI-FUHWJXTLSA-N 1 0 374.525 3.804 40 0 FHABRO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC000072348331 571179996 /nfs/dbraw/zinc/17/99/96/571179996.db2.gz PZXJUQOTLJAWQN-QGZVFWFLSA-N 1 0 371.868 3.598 40 0 FHABRO CCCN1CC[N@H+](CC2CC2)[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000072351566 571181983 /nfs/dbraw/zinc/18/19/83/571181983.db2.gz MCIJGXBZQIAJGY-QFIPXVFZSA-N 1 0 363.505 3.624 40 0 FHABRO Cc1c(C[N@@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cnn1C ZINC000072353080 571182023 /nfs/dbraw/zinc/18/20/23/571182023.db2.gz NWWJANNLCYBHJW-FQEVSTJZSA-N 1 0 362.481 3.908 40 0 FHABRO CCc1nccn1-c1cncc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000072355445 571182331 /nfs/dbraw/zinc/18/23/31/571182331.db2.gz CETDDNMVAWAZNZ-QGZVFWFLSA-N 1 0 365.456 3.743 40 0 FHABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072358577 571183523 /nfs/dbraw/zinc/18/35/23/571183523.db2.gz LQNFRZZWVXJNRM-GOSISDBHSA-N 1 0 360.461 3.927 40 0 FHABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000072358615 571183656 /nfs/dbraw/zinc/18/36/56/571183656.db2.gz YAWPRVUNKHRCBJ-QGZVFWFLSA-N 1 0 360.461 3.927 40 0 FHABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000072359071 571183936 /nfs/dbraw/zinc/18/39/36/571183936.db2.gz KQISKZSOZKGPJP-MRXNPFEDSA-N 1 0 353.466 3.511 40 0 FHABRO Cc1cc(Nc2ccccn2)nc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072359985 571184088 /nfs/dbraw/zinc/18/40/88/571184088.db2.gz XLSYPWKYYWBLLZ-GOSISDBHSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3cn(C)nc3C)n2)s1 ZINC000072375351 571185642 /nfs/dbraw/zinc/18/56/42/571185642.db2.gz UCPJNTIKLXRZAB-KRWDZBQOSA-N 1 0 368.510 3.969 40 0 FHABRO O=C(NC1CCCC1)c1cc([C@H]2CCCC[N@@H+]2CCc2ccccc2)n[nH]1 ZINC000072380536 571188069 /nfs/dbraw/zinc/18/80/69/571188069.db2.gz QZXBZTLECWIKNS-OAQYLSRUSA-N 1 0 366.509 3.852 40 0 FHABRO Cc1ncccc1Oc1nccnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000072383638 571188732 /nfs/dbraw/zinc/18/87/32/571188732.db2.gz KKIJRJALZHRDNI-UHFFFAOYSA-N 1 0 361.449 3.747 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)c1F ZINC000072389965 571189305 /nfs/dbraw/zinc/18/93/05/571189305.db2.gz GONSLVPZOVYTCP-HNNXBMFYSA-N 1 0 356.376 3.789 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000072389956 571189326 /nfs/dbraw/zinc/18/93/26/571189326.db2.gz OHTQHNFWZFRLIA-QGZVFWFLSA-N 1 0 350.422 3.520 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1F ZINC000072389998 571189659 /nfs/dbraw/zinc/18/96/59/571189659.db2.gz ARSJRGNFGPCZRP-OAHLLOKOSA-N 1 0 356.376 3.789 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H](c3cn(C)c4ccccc34)[C@H](N(C)C)C2)cc1 ZINC000072395136 571190361 /nfs/dbraw/zinc/19/03/61/571190361.db2.gz LKHNOGWQCOQSNG-JTHBVZDNSA-N 1 0 363.505 3.717 40 0 FHABRO COc1ccccc1CN1C[C@@H](c2cn(C)c3ccccc23)[C@H]([NH+](C)C)C1 ZINC000072395134 571190367 /nfs/dbraw/zinc/19/03/67/571190367.db2.gz CXQQECCQTKSQKN-RBBKRZOGSA-N 1 0 363.505 3.717 40 0 FHABRO C[C@@H](Cc1ccccc1F)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395784 571190796 /nfs/dbraw/zinc/19/07/96/571190796.db2.gz RAMNQILXCKTTEZ-KSFYIVLOSA-N 1 0 352.453 3.577 40 0 FHABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)C3CC3)n2)cc1 ZINC000004215101 571190976 /nfs/dbraw/zinc/19/09/76/571190976.db2.gz NWKCKCHEIMJKCN-UHFFFAOYSA-N 1 0 359.495 3.513 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)CC2)N1Cc1ccc(F)cc1 ZINC000585100552 571221464 /nfs/dbraw/zinc/22/14/64/571221464.db2.gz NHKPEQDTSBTUED-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)cn1 ZINC000585100678 571221473 /nfs/dbraw/zinc/22/14/73/571221473.db2.gz SMLMDBYWRHUNIP-JOCHJYFZSA-N 1 0 372.557 3.830 40 0 FHABRO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](C)C4)C3)CC2)cc1 ZINC000585104808 571224118 /nfs/dbraw/zinc/22/41/18/571224118.db2.gz SXELTGKCEFUTEE-PZJWPPBQSA-N 1 0 370.537 3.738 40 0 FHABRO COc1cc2c(cc1OC)[C@@H](C)[N@@H+]([C@H]1CCCN(C(=O)CC(C)C)C1)CC2 ZINC000248235248 571291234 /nfs/dbraw/zinc/29/12/34/571291234.db2.gz BXLVLBPVMABBGJ-AEFFLSMTSA-N 1 0 374.525 3.660 40 0 FHABRO CC(C)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000248197425 571291277 /nfs/dbraw/zinc/29/12/77/571291277.db2.gz RENMGUPXFFASRP-RBDMOPTHSA-N 1 0 369.484 3.859 40 0 FHABRO CC[C@@H]([NH2+]Cc1cnc(N2CCC[C@@H](C)C2)nc1)c1ccc(OC)cc1 ZINC000019500523 571304060 /nfs/dbraw/zinc/30/40/60/571304060.db2.gz AJVHYBRQVYBPGB-OXQOHEQNSA-N 1 0 354.498 3.962 40 0 FHABRO COc1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc(OC)c1 ZINC000004315236 571357884 /nfs/dbraw/zinc/35/78/84/571357884.db2.gz FKLQPNIGDZZUOX-UHFFFAOYSA-N 1 0 351.450 3.960 40 0 FHABRO C[N@@H+]1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCCN2C(=O)c1cnccn1 ZINC000257339374 529831643 /nfs/dbraw/zinc/83/16/43/529831643.db2.gz ZBLFXNFWNIJUHG-ONTIZHBOSA-N 1 0 364.493 3.697 40 0 FHABRO C[N@H+](C[C@@H]1CC=CCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257307137 529944994 /nfs/dbraw/zinc/94/49/94/529944994.db2.gz SXIOYFKOWDAKET-PDDLGQBUSA-N 1 0 354.494 3.778 40 0 FHABRO COc1ccc([C@@H]2CC(N)=[NH+]N2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000222549559 222738808 /nfs/dbraw/zinc/73/88/08/222738808.db2.gz HCMWYCNDWQRGDJ-AWEZNQCLSA-N 1 0 365.355 3.946 40 0 FHABRO CCCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC000000889953 219336133 /nfs/dbraw/zinc/33/61/33/219336133.db2.gz XEIHWXIUSXNAHC-INIZCTEOSA-N 1 0 373.904 3.820 40 0 FHABRO Cc1cc2c(cc1C)[n+](C[C@@H](O)COc1ccc3ccccc3c1)cn2C ZINC000000889920 219336195 /nfs/dbraw/zinc/33/61/95/219336195.db2.gz QKTBEIYLSCDSPD-HXUWFJFHSA-N 1 0 361.465 3.676 40 0 FHABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224626776 222817324 /nfs/dbraw/zinc/81/73/24/222817324.db2.gz LEBKHBGGADMFCO-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224696106 222818119 /nfs/dbraw/zinc/81/81/19/222818119.db2.gz NPQVEQBSGCEKKS-UHFFFAOYSA-N 1 0 352.478 3.676 40 0 FHABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787814 222820431 /nfs/dbraw/zinc/82/04/31/222820431.db2.gz OYCOFXJQYHGPAL-NRFANRHFSA-N 1 0 370.468 3.895 40 0 FHABRO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224702952 222819228 /nfs/dbraw/zinc/81/92/28/222819228.db2.gz GTWQBHKLIQPJRS-UHFFFAOYSA-N 1 0 366.505 3.930 40 0 FHABRO Cc1cc(C)cc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)c1 ZINC000225209971 222831258 /nfs/dbraw/zinc/83/12/58/222831258.db2.gz XUBZPHPLKSTRPL-UHFFFAOYSA-N 1 0 365.546 3.785 40 0 FHABRO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225650325 222857629 /nfs/dbraw/zinc/85/76/29/222857629.db2.gz NSULOFLYIZPGNO-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO Cn1cc(CCC(=O)N2CCCCC[C@@H]3[NH2+]CC[C@@]32C)c2ccccc21 ZINC000257202448 223017287 /nfs/dbraw/zinc/01/72/87/223017287.db2.gz ALUWQPLTQASQIL-UNMCSNQZSA-N 1 0 353.510 3.634 40 0 FHABRO Cc1cccc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)n1 ZINC000257235843 223032050 /nfs/dbraw/zinc/03/20/50/223032050.db2.gz GZTKCZXXYIXRNJ-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000006305968 219723056 /nfs/dbraw/zinc/72/30/56/219723056.db2.gz WEYSCXKLSQCPLC-AWEZNQCLSA-N 1 0 358.320 3.993 40 0 FHABRO Cc1noc(C)c1-c1cccc(C[C@H]2CC[N@H+](Cc3ccnc(C)n3)C2)n1 ZINC000257278588 223048249 /nfs/dbraw/zinc/04/82/49/223048249.db2.gz OCVPMCPJOCUNFN-QGZVFWFLSA-N 1 0 363.465 3.516 40 0 FHABRO Cc1cnc(Nc2nccnc2[C@H]2CCC[N@H+](CC3CCOCC3)C2)s1 ZINC000257300644 223056868 /nfs/dbraw/zinc/05/68/68/223056868.db2.gz RVEFQWBZYQMELU-INIZCTEOSA-N 1 0 373.526 3.591 40 0 FHABRO c1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cs1 ZINC000306131199 223108061 /nfs/dbraw/zinc/10/80/61/223108061.db2.gz JYMUFVAGKOTXGC-KRWDZBQOSA-N 1 0 367.522 3.771 40 0 FHABRO COc1ccc(-c2n[nH]cc2C[N@@H+](Cc2sccc2C)C[C@H](C)O)cc1 ZINC000012147047 219960412 /nfs/dbraw/zinc/96/04/12/219960412.db2.gz RZMPZJMLAGPTCD-HNNXBMFYSA-N 1 0 371.506 3.838 40 0 FHABRO CC(=O)NC1(c2ccccc2)CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000012188419 219964757 /nfs/dbraw/zinc/96/47/57/219964757.db2.gz KEZUOKGHUINGQQ-FQEVSTJZSA-N 1 0 372.896 3.501 40 0 FHABRO CCOC(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2cccnc2)CC1 ZINC000012222170 219969429 /nfs/dbraw/zinc/96/94/29/219969429.db2.gz HLBZVEYBJPZAAJ-UHFFFAOYSA-N 1 0 359.857 3.686 40 0 FHABRO O=c1cc(-c2ccccn2)nc(C2CC[NH+](Cc3ccccc3F)CC2)[nH]1 ZINC000013266964 220062230 /nfs/dbraw/zinc/06/22/30/220062230.db2.gz HYZKMJXRGVACRT-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO CCOC(=O)/C=C1\C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C[C@@H]1CC ZINC000018127588 220225210 /nfs/dbraw/zinc/22/52/10/220225210.db2.gz XVPICYCPIBJEBT-XMDNHAFTSA-N 1 0 359.466 3.522 40 0 FHABRO Clc1ccccc1C[N@@H+]1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 ZINC000019349479 220253913 /nfs/dbraw/zinc/25/39/13/220253913.db2.gz JHSNKUSRGKJVMH-AEFFLSMTSA-N 1 0 365.868 3.613 40 0 FHABRO CCC[NH+]1CCC(C[C@@H]2CC(c3ccc(C)cc3)=NO2)(C(=O)OCC)CC1 ZINC000019502593 220262620 /nfs/dbraw/zinc/26/26/20/220262620.db2.gz VRFYANCZHCBUIO-IBGZPJMESA-N 1 0 372.509 3.933 40 0 FHABRO CCC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)n1nc(C)cc1C ZINC000019501790 220263263 /nfs/dbraw/zinc/26/32/63/220263263.db2.gz FKNBVJVTCOHCHW-UXHICEINSA-N 1 0 360.546 3.708 40 0 FHABRO COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000019497539 220263350 /nfs/dbraw/zinc/26/33/50/220263350.db2.gz SYFATPZOLSEJKU-HUUCEWRRSA-N 1 0 351.450 3.848 40 0 FHABRO Cc1nn(C[C@H](C)C(=O)NC2(C[NH+]3CCCCC3)CCCCC2)c(C)c1C ZINC000019556914 220272003 /nfs/dbraw/zinc/27/20/03/220272003.db2.gz YXJLAUFTKJCLLG-KRWDZBQOSA-N 1 0 374.573 3.749 40 0 FHABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000019560976 220273882 /nfs/dbraw/zinc/27/38/82/220273882.db2.gz MCWYGHPIAQXAHX-MRXNPFEDSA-N 1 0 361.486 3.814 40 0 FHABRO C[N@H+](CCOc1ccccc1)Cc1c2cccnc2[nH]c1[C@H]1CCCO1 ZINC000019586166 220277580 /nfs/dbraw/zinc/27/75/80/220277580.db2.gz BYLRTVUTQVZYNY-LJQANCHMSA-N 1 0 351.450 3.925 40 0 FHABRO CN1CCCC[C@H]1c1ncc2c(n1)CC[N@@H+](CCCc1ccccc1)C2 ZINC000019588986 220278327 /nfs/dbraw/zinc/27/83/27/220278327.db2.gz MZXITCUZGLDICB-NRFANRHFSA-N 1 0 350.510 3.624 40 0 FHABRO CN(C(=O)Cc1ccccc1)C1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000019586726 220278661 /nfs/dbraw/zinc/27/86/61/220278661.db2.gz APFQTNWDDGNRCX-UHFFFAOYSA-N 1 0 364.489 3.551 40 0 FHABRO C[N@@H+]1CCc2nc([C@H]3CCCCN3Cc3ccc(Cl)c(F)c3)ncc2C1 ZINC000019590327 220279009 /nfs/dbraw/zinc/27/90/09/220279009.db2.gz BOMQWZNWDMCQGK-LJQANCHMSA-N 1 0 374.891 3.984 40 0 FHABRO COCCOc1cccc(C[NH+]2CCC(c3cc4ncccc4[nH]3)CC2)c1 ZINC000019593784 220279037 /nfs/dbraw/zinc/27/90/37/220279037.db2.gz KHMOIZGXQQUXOF-UHFFFAOYSA-N 1 0 365.477 3.968 40 0 FHABRO COCCc1ncc(C[NH2+][C@@H]2[C@@H]3CCCC[C@@H]3[C@H]2c2ccccc2)cn1 ZINC000019593865 220279182 /nfs/dbraw/zinc/27/91/82/220279182.db2.gz YKSBZZSRYMGFJO-YVNJGZBMSA-N 1 0 351.494 3.728 40 0 FHABRO COc1ccc2c(c1)OCC(c1cncn1CCC[NH+]1CCCCC1)=C2 ZINC000019719407 220292092 /nfs/dbraw/zinc/29/20/92/220292092.db2.gz OAPWWKJWLSNJRP-UHFFFAOYSA-N 1 0 353.466 3.701 40 0 FHABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccccc4F)C3)oc21 ZINC000035446939 220784468 /nfs/dbraw/zinc/78/44/68/220784468.db2.gz XRSQKMDSPJOWSS-AWEZNQCLSA-N 1 0 354.381 3.743 40 0 biogenic,in-vitro FHABRO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000057698461 221093289 /nfs/dbraw/zinc/09/32/89/221093289.db2.gz GIUIVAMVPPCYOA-QAPCUYQASA-N 1 0 370.946 3.533 40 0 FHABRO Cc1cc(C)n(Cc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2)n1 ZINC000061619955 221133658 /nfs/dbraw/zinc/13/36/58/221133658.db2.gz UQNCZHHDDZJICO-UHFFFAOYSA-N 1 0 368.525 3.544 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Br)cc2)CC1 ZINC000067800488 221286713 /nfs/dbraw/zinc/28/67/13/221286713.db2.gz FIMXQBKKMLARJD-UHFFFAOYSA-N 1 0 369.303 3.938 40 0 FHABRO CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000113954296 132247096 /nfs/dbraw/zinc/24/70/96/132247096.db2.gz VFOFHBKWKWGFPL-HXUWFJFHSA-N 1 0 367.493 3.543 40 0 FHABRO CC[C@@H](C)Nc1cc(N2CCc3cc(OC)c(OC)cc3C2)nc(C)[nH+]1 ZINC000244226060 132249897 /nfs/dbraw/zinc/24/98/97/132249897.db2.gz WCSANAXGNBGELP-CYBMUJFWSA-N 1 0 356.470 3.575 40 0 FHABRO Cc1cccc(C[NH+]2CCC3(C[C@@H](OCc4ccncc4)CO3)CC2)c1 ZINC000096106845 222025069 /nfs/dbraw/zinc/02/50/69/222025069.db2.gz LPGJWJOLTQBSJP-OAQYLSRUSA-N 1 0 352.478 3.730 40 0 FHABRO CCOC[C@H]1COCCC12CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000096106425 222025124 /nfs/dbraw/zinc/02/51/24/222025124.db2.gz NWTIYTZODCQJOL-IBGZPJMESA-N 1 0 354.494 3.890 40 0 FHABRO Cc1ccccc1C[NH+]1CCC2(C[C@@H](OCC3CCOCC3)CO2)CC1 ZINC000096106697 222025294 /nfs/dbraw/zinc/02/52/94/222025294.db2.gz RQSUKJOCFFNXEA-OAQYLSRUSA-N 1 0 359.510 3.562 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(C[C@@H](OCc4cccnc4)CO3)C2)s1 ZINC000096107277 222026459 /nfs/dbraw/zinc/02/64/59/222026459.db2.gz NGDDBTSICRPLHN-QUCCMNQESA-N 1 0 358.507 3.792 40 0 FHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1cccnc1)CC2)N1CC=CC1 ZINC000096049280 222000670 /nfs/dbraw/zinc/00/06/70/222000670.db2.gz GXOFHXMBTUAZOK-UHFFFAOYSA-N 1 0 353.510 3.643 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NC1CCC1 ZINC000096052787 222003081 /nfs/dbraw/zinc/00/30/81/222003081.db2.gz RYGIFRYXAFCIPU-GOSISDBHSA-N 1 0 352.522 3.976 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21)NC1CC1 ZINC000096052971 222003861 /nfs/dbraw/zinc/00/38/61/222003861.db2.gz MCXPYMQUXXHUED-GOSISDBHSA-N 1 0 364.489 3.969 40 0 FHABRO O=C(Nc1ccccc1)N1C[C@H]2C[NH+](Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096081064 222016834 /nfs/dbraw/zinc/01/68/34/222016834.db2.gz KABBIPMQJNHTOO-IAGOWNOFSA-N 1 0 355.869 3.936 40 0 FHABRO O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CC[NH+](Cc1ccoc1)CC2 ZINC000096100263 222022078 /nfs/dbraw/zinc/02/20/78/222022078.db2.gz RPKPOLMQFOLRDA-FQEVSTJZSA-N 1 0 350.462 3.855 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)c2ccccc2N(CC(C)C)C3=O)cc1 ZINC000096100310 222022115 /nfs/dbraw/zinc/02/21/15/222022115.db2.gz ADOMXWOMWOQKJY-HSZRJFAPSA-N 1 0 364.489 3.842 40 0 FHABRO CC(C)CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096100308 222022911 /nfs/dbraw/zinc/02/29/11/222022911.db2.gz DJIHMLHSAJCCLO-JOCHJYFZSA-N 1 0 352.453 3.972 40 0 FHABRO Cc1ccc(N2CC[C@]3(C2)C[N@H+](Cc2cccs2)CCC3(F)F)nn1 ZINC000096239761 222095374 /nfs/dbraw/zinc/09/53/74/222095374.db2.gz KQGCVNPYZKDXMZ-QGZVFWFLSA-N 1 0 364.465 3.584 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000096244253 222098863 /nfs/dbraw/zinc/09/88/63/222098863.db2.gz TUZZMOQXBJRJCD-QHCPKHFHSA-N 1 0 372.472 3.521 40 0 FHABRO c1csc(C[N@@H+]2CCO[C@@]3(CCC[C@@H]3COCc3ccccn3)C2)c1 ZINC000096160032 222059559 /nfs/dbraw/zinc/05/95/59/222059559.db2.gz QHSRJAMPMPODCL-XLIONFOSSA-N 1 0 358.507 3.731 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@]3(CCN(Cc4csc(C)n4)C3)C2)c1 ZINC000096215573 222079778 /nfs/dbraw/zinc/07/97/78/222079778.db2.gz ZDPYZLFPSVWZAX-NRFANRHFSA-N 1 0 371.550 3.948 40 0 FHABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccsc3)CC2)N1Cc1cccnc1 ZINC000096218014 222081838 /nfs/dbraw/zinc/08/18/38/222081838.db2.gz FEGQYWCLZVGNFL-FQEVSTJZSA-N 1 0 355.507 3.690 40 0 FHABRO c1csc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218276 222082833 /nfs/dbraw/zinc/08/28/33/222082833.db2.gz JYSIJIQRSYMJDE-GOSISDBHSA-N 1 0 358.507 3.731 40 0 FHABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2cccc(C)n2)CC3)c1 ZINC000096221411 222086021 /nfs/dbraw/zinc/08/60/21/222086021.db2.gz CBWIEYDBVIOAIP-FQEVSTJZSA-N 1 0 367.493 3.634 40 0 FHABRO CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000098213862 222232096 /nfs/dbraw/zinc/23/20/96/222232096.db2.gz KPBTVQKKFONOGH-UHFFFAOYSA-N 1 0 358.404 3.976 40 0 FHABRO CC[C@H](CO)[NH2+]Cc1cc(Cl)c(OCc2cccs2)c(OC)c1 ZINC000008327046 263354584 /nfs/dbraw/zinc/35/45/84/263354584.db2.gz KGYHFJFKMHSEBH-CYBMUJFWSA-N 1 0 355.887 3.850 40 0 FHABRO COc1cc2ccccc2cc1C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020460145 263381614 /nfs/dbraw/zinc/38/16/14/263381614.db2.gz NCXURNMKMGPOJD-IAGOWNOFSA-N 1 0 354.494 3.946 40 0 FHABRO CC(C)[N@@H+]1CCC[C@@H](c2cnc(N3CC4(CCCCC4)OC3=O)cn2)C1 ZINC000257208976 263463848 /nfs/dbraw/zinc/46/38/48/263463848.db2.gz BOIYIJKZKYKYIB-MRXNPFEDSA-N 1 0 358.486 3.724 40 0 FHABRO COc1cc(CC[NH2+]Cc2ccccc2F)c(OC)cc1Br ZINC000299817086 533768310 /nfs/dbraw/zinc/76/83/10/533768310.db2.gz ATMBBMXJNIJRST-UHFFFAOYSA-N 1 0 368.246 3.938 40 0 in-vitro FHABRO C[C@]12C[C@@H](c3ccccc3F)[N@H+](Cc3ccccn3)[C@H]1CCCC(=O)N2 ZINC000257306977 534188816 /nfs/dbraw/zinc/18/88/16/534188816.db2.gz SWTRVWXDYYZUPD-ZJOUEHCJSA-N 1 0 353.441 3.595 40 0 FHABRO Cc1ccsc1C[NH+]1CCC(c2cc(-c3ncc[nH]3)nc(C)n2)CC1 ZINC000257255761 534469196 /nfs/dbraw/zinc/46/91/96/534469196.db2.gz KISQKLPJOHLZFW-UHFFFAOYSA-N 1 0 353.495 3.925 40 0 FHABRO Fc1ccc(F)c(C[N@@H+]2CCC[C@@H](Cc3cc(-c4ncc[nH]4)ncn3)C2)c1 ZINC000257248692 534478958 /nfs/dbraw/zinc/47/89/58/534478958.db2.gz JEUDUOPIRWVVAP-AWEZNQCLSA-N 1 0 369.419 3.600 40 0 FHABRO Fc1cccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306139124 534514374 /nfs/dbraw/zinc/51/43/74/534514374.db2.gz SPYAVASMRHWPFA-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@H]2C[N@@H+](C3CCC3)C[C@@H]21 ZINC000306143945 534877383 /nfs/dbraw/zinc/87/73/83/534877383.db2.gz YRKUXILSNJBNQT-QUCCMNQESA-N 1 0 357.450 3.600 40 0 FHABRO C/C=C1/CN2CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000033955640 560087677 /nfs/dbraw/zinc/08/76/77/560087677.db2.gz VAMJZLUOKJRHOW-XEASWFAXSA-N 1 0 366.461 3.737 40 0 biogenic,in-vitro FHABRO Cc1cnc(Nc2cccc(C3CC[NH+](C4CCOCC4)CC3)n2)s1 ZINC000585262591 570481573 /nfs/dbraw/zinc/48/15/73/570481573.db2.gz GPQQQBKNZZTDLP-UHFFFAOYSA-N 1 0 358.511 3.949 40 0 FHABRO CC(=O)N1CC[C@H]([NH2+]CCc2ccccc2C)[C@H](Cc2ccccc2)C1 ZINC000585284582 570494253 /nfs/dbraw/zinc/49/42/53/570494253.db2.gz GCEXQQHKPQEWKL-PKTZIBPZSA-N 1 0 350.506 3.607 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccc(F)cc2)[C@@H]1Cc1ccc(C)cc1 ZINC000585286901 570494630 /nfs/dbraw/zinc/49/46/30/570494630.db2.gz WNPIJWOSHHAXID-GOTSBHOMSA-N 1 0 368.496 3.888 40 0 FHABRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1 ZINC000585289706 570495595 /nfs/dbraw/zinc/49/55/95/570495595.db2.gz VRSVOIWRSCOQDF-XUVXKRRUSA-N 1 0 361.869 3.799 40 0 FHABRO Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCOc3ccccc3C)[C@H]2O)c1 ZINC000585289565 570495617 /nfs/dbraw/zinc/49/56/17/570495617.db2.gz RPIKXYDRPVEYQY-KSEOMHKRSA-N 1 0 355.478 3.633 40 0 FHABRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)cc1 ZINC000585288679 570496656 /nfs/dbraw/zinc/49/66/56/570496656.db2.gz HHRRFQLZWDOHDM-XUVXKRRUSA-N 1 0 361.869 3.799 40 0 FHABRO COc1cc2cccnc2c(NC[C@H](O)C[N@H+](CC(C)C)C2CCCC2)c1 ZINC000001656127 570503605 /nfs/dbraw/zinc/50/36/05/570503605.db2.gz OIDQIVBIYSEUSN-IBGZPJMESA-N 1 0 371.525 3.917 40 0 FHABRO O=C1N(Cc2ccncc2)CCCC12CC[NH+](C[C@H]1CC=CCC1)CC2 ZINC000108527985 570526789 /nfs/dbraw/zinc/52/67/89/570526789.db2.gz RPKSMPGARQIXJB-IBGZPJMESA-N 1 0 353.510 3.643 40 0 FHABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216463 570533528 /nfs/dbraw/zinc/53/35/28/570533528.db2.gz BSINKZDALCPDHC-GOSISDBHSA-N 1 0 374.529 3.686 40 0 FHABRO Cc1nc(N2CCOCC2)ccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219652 570534837 /nfs/dbraw/zinc/53/48/37/570534837.db2.gz GYTSBRYFHDEDEP-OAQYLSRUSA-N 1 0 351.494 3.954 40 0 FHABRO CCC(CC)(COC(=O)C(O)(c1ccccc1)c1ccccc1)C[NH+](C)C ZINC000005064909 570620335 /nfs/dbraw/zinc/62/03/35/570620335.db2.gz LHHMCPYOPXKWNW-UHFFFAOYSA-N 1 0 369.505 3.834 40 0 FHABRO CC[C@H](Oc1ccc(F)cc1)C(=O)NCCC[N@@H+]1CCCC[C@H]1CC ZINC000260492660 570630597 /nfs/dbraw/zinc/63/05/97/570630597.db2.gz DVQKKJLAHZBQCH-MJGOQNOKSA-N 1 0 350.478 3.754 40 0 FHABRO O=C(Nc1nnc(SCC[NH+]2CCCC2)s1)c1ccc(Cl)cc1 ZINC000035316071 570642089 /nfs/dbraw/zinc/64/20/89/570642089.db2.gz UPTHDMNGAKRFHO-UHFFFAOYSA-N 1 0 368.915 3.632 40 0 FHABRO C[C@]12C[C@H](CC(C)(C)C1)[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000002139602 570654164 /nfs/dbraw/zinc/65/41/64/570654164.db2.gz PEVHSLDAYIFANO-HJPURHCSSA-N 1 0 365.521 3.953 40 0 FHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000012089299 570718090 /nfs/dbraw/zinc/71/80/90/570718090.db2.gz LYZBRTARHFJLID-GOSISDBHSA-N 1 0 359.429 3.980 40 0 FHABRO CCc1c(C)sc2ncn(C3CC[NH+](Cc4cccnc4)CC3)c(=O)c12 ZINC000012145453 570722582 /nfs/dbraw/zinc/72/25/82/570722582.db2.gz ALVWKHNSDDEXFM-UHFFFAOYSA-N 1 0 368.506 3.561 40 0 FHABRO COc1ccc(C[N@@H+](Cc2cn(C)c3ccccc23)C[C@H](C)O)cc1OC ZINC000012147959 570723005 /nfs/dbraw/zinc/72/30/05/570723005.db2.gz OHPIADQBLHDXHG-INIZCTEOSA-N 1 0 368.477 3.579 40 0 FHABRO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC1(C[NH+]2CCCC2)CCCCC1 ZINC000012147291 570723284 /nfs/dbraw/zinc/72/32/84/570723284.db2.gz GIGWBZAGOVPNBH-UHFFFAOYSA-N 1 0 366.509 3.914 40 0 FHABRO Cc1ccc(C[NH+]2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)s1 ZINC000012187337 570724884 /nfs/dbraw/zinc/72/48/84/570724884.db2.gz JREATLMQJVFHQD-UHFFFAOYSA-N 1 0 355.467 3.585 40 0 FHABRO Cc1nc2ccc(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)cc2s1 ZINC000012198437 570726711 /nfs/dbraw/zinc/72/67/11/570726711.db2.gz URRGYKPVCTVHSS-KRWDZBQOSA-N 1 0 357.454 3.777 40 0 FHABRO CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CC[NH+](CC)CC1 ZINC000012274955 570731910 /nfs/dbraw/zinc/73/19/10/570731910.db2.gz JXKROTAHGLFJKE-UHFFFAOYSA-N 1 0 360.429 3.688 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2ccccc2c1 ZINC000012292287 570732307 /nfs/dbraw/zinc/73/23/07/570732307.db2.gz LYENZSBRFYCBRW-JOCHJYFZSA-N 1 0 365.448 3.996 40 0 FHABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccccc1 ZINC000012293330 570732796 /nfs/dbraw/zinc/73/27/96/570732796.db2.gz OSRVTZRKUNSAPD-RBUKOAKNSA-N 1 0 373.880 3.724 40 0 FHABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccccc4Cl)CC3)no2)cn1 ZINC000012337366 570737677 /nfs/dbraw/zinc/73/76/77/570737677.db2.gz FSMPYECCXBTVSF-UHFFFAOYSA-N 1 0 369.856 3.868 40 0 FHABRO Cc1ncc2c(n1)C1(CC[NH+](Cc3ccc(OC(C)C)cc3)CC1)OCC2 ZINC000012337915 570737766 /nfs/dbraw/zinc/73/77/66/570737766.db2.gz OGERYZUYLSKMBU-UHFFFAOYSA-N 1 0 367.493 3.636 40 0 FHABRO O=C1CCCN1CC[NH2+]Cc1cc(-c2ccccc2)cnc1-c1ccncc1 ZINC000012337333 570737832 /nfs/dbraw/zinc/73/78/32/570737832.db2.gz LGSLDOHFCPQOGY-UHFFFAOYSA-N 1 0 372.472 3.523 40 0 FHABRO O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006548427 570783397 /nfs/dbraw/zinc/78/33/97/570783397.db2.gz WZNPFJFACHWIEG-JLHYYAGUSA-N 1 0 365.502 3.809 40 0 FHABRO COCC[NH2+]Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000008469137 570796020 /nfs/dbraw/zinc/79/60/20/570796020.db2.gz GRSJVMFIVWUQHI-UHFFFAOYSA-N 1 0 353.821 3.803 40 0 FHABRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COCCOc2ccc(Cl)cc2)[C@@H]1C ZINC000012549375 570814254 /nfs/dbraw/zinc/81/42/54/570814254.db2.gz OSISLWGQAJWPLM-FXRXJOCMSA-N 1 0 355.906 3.511 40 0 FHABRO CCOc1cc(C[NH2+][C@@H](C)CC)ccc1OCC(=O)NC1CCCCC1 ZINC000036612911 570835962 /nfs/dbraw/zinc/83/59/62/570835962.db2.gz XSBZHFNBRLKFKT-INIZCTEOSA-N 1 0 362.514 3.801 40 0 FHABRO CC(C)c1ccc(OCCOC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000040373358 570842340 /nfs/dbraw/zinc/84/23/40/570842340.db2.gz UQJGAVXCIYEZHU-QFIPXVFZSA-N 1 0 369.505 3.625 40 0 FHABRO CC[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114405 570972085 /nfs/dbraw/zinc/97/20/85/570972085.db2.gz QMVMGIKTHPGYLJ-OAQYLSRUSA-N 1 0 352.478 3.756 40 0 FHABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000224078880 570976276 /nfs/dbraw/zinc/97/62/76/570976276.db2.gz SQGOTYLMPSFCTC-UHFFFAOYSA-N 1 0 352.478 3.708 40 0 FHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCCC1 ZINC000224489354 570991406 /nfs/dbraw/zinc/99/14/06/570991406.db2.gz RYBIELRACLVJJD-SFHVURJKSA-N 1 0 358.526 3.715 40 0 FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225073983 571013691 /nfs/dbraw/zinc/01/36/91/571013691.db2.gz MXLBEOPANJWELN-TXEJJXNPSA-N 1 0 373.722 3.810 40 0 FHABRO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039772300 571024172 /nfs/dbraw/zinc/02/41/72/571024172.db2.gz ZGVKSMANEBRSCV-UHFFFAOYSA-N 1 0 372.459 3.926 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c(OC)c1 ZINC000039748276 571024663 /nfs/dbraw/zinc/02/46/63/571024663.db2.gz OPVGKHGIRGBYNP-UHFFFAOYSA-N 1 0 354.450 3.555 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(OC)cc1OC ZINC000225581056 571047027 /nfs/dbraw/zinc/04/70/27/571047027.db2.gz HOZSYFKUMMUUPV-OAHLLOKOSA-N 1 0 365.543 3.645 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225640257 571051900 /nfs/dbraw/zinc/05/19/00/571051900.db2.gz SSMDHAQWCXOQNM-UHFFFAOYSA-N 1 0 360.498 3.695 40 0 FHABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225688497 571055818 /nfs/dbraw/zinc/05/58/18/571055818.db2.gz SXBNWNDLHCJSKR-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO c1ccc([C@]2(N3CCOCC3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000031960025 571056361 /nfs/dbraw/zinc/05/63/61/571056361.db2.gz GACFZQUGMQKXMO-ISJGIBHGSA-N 1 0 369.488 3.640 40 0 FHABRO CC[C@@]12CCC[N@@H+]3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@H]4CC1)[C@H]32 ZINC000034173099 571067776 /nfs/dbraw/zinc/06/77/76/571067776.db2.gz ARQOGCYMPUOVHK-BDKRGJGYSA-N 1 0 354.494 3.726 40 0 FHABRO Clc1ccc(C[NH2+][C@H]2CCN(c3ncc(Cl)cn3)C2)c(Cl)c1 ZINC000035900312 571079033 /nfs/dbraw/zinc/07/90/33/571079033.db2.gz ACYGUSYTBTURQK-ZDUSSCGKSA-N 1 0 357.672 3.805 40 0 FHABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+](C)C)nc3)CCCC2)cc1 ZINC000225933425 571080620 /nfs/dbraw/zinc/08/06/20/571080620.db2.gz MGLVPMLHWHFMOU-UHFFFAOYSA-N 1 0 367.493 3.781 40 0 FHABRO CC1(C)CC(N(Cc2cnc(N)nc2)Cc2ccccc2F)CC(C)(C)[NH2+]1 ZINC000036740478 571081383 /nfs/dbraw/zinc/08/13/83/571081383.db2.gz YOXOXJKXSNJEQB-UHFFFAOYSA-N 1 0 371.504 3.509 40 0 FHABRO COc1ccc(F)cc1[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000036743862 571081478 /nfs/dbraw/zinc/08/14/78/571081478.db2.gz FFQFCTWXWGLSBF-IFXJQAMLSA-N 1 0 369.440 3.624 40 0 FHABRO CC(C)(C)SCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038852206 571088271 /nfs/dbraw/zinc/08/82/71/571088271.db2.gz ZCXMVFWGUKHAKZ-INIZCTEOSA-N 1 0 352.519 3.686 40 0 FHABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000044852955 571103125 /nfs/dbraw/zinc/10/31/25/571103125.db2.gz SLDYUOIDNUWBJW-SFHVURJKSA-N 1 0 352.478 3.788 40 0 FHABRO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044908876 571104407 /nfs/dbraw/zinc/10/44/07/571104407.db2.gz RUIVEMVTORLTNM-IBGZPJMESA-N 1 0 370.468 3.541 40 0 FHABRO CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044920013 571104818 /nfs/dbraw/zinc/10/48/18/571104818.db2.gz ABUFBAMEIKWFJX-LJQANCHMSA-N 1 0 370.468 3.753 40 0 FHABRO COc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1Cl ZINC000260739759 571121600 /nfs/dbraw/zinc/12/16/00/571121600.db2.gz OSYKRLXWTWRYEG-ZDUSSCGKSA-N 1 0 355.935 3.757 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000260812506 571123341 /nfs/dbraw/zinc/12/33/41/571123341.db2.gz DOECGXLOFRJRNQ-HOIFWPIMSA-N 1 0 374.525 3.797 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)o1 ZINC000248100141 571127934 /nfs/dbraw/zinc/12/79/34/571127934.db2.gz NRNMFJVMMBDKMM-RTWAWAEBSA-N 1 0 356.466 3.571 40 0 FHABRO Cc1ccsc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000253599701 571138785 /nfs/dbraw/zinc/13/87/85/571138785.db2.gz SVRSSAHSTMDHIL-INIZCTEOSA-N 1 0 353.553 3.560 40 0 FHABRO Cc1ccsc1CN1Cc2ccnn2[C@@H](CCOCc2cccnc2)C1 ZINC000253599778 571138896 /nfs/dbraw/zinc/13/88/96/571138896.db2.gz UJJBWBTUCDTATA-IBGZPJMESA-N 1 0 368.506 3.812 40 0 FHABRO CC(C)C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330414 571178598 /nfs/dbraw/zinc/17/85/98/571178598.db2.gz KRKJPDTVPQGZFJ-LPHOPBHVSA-N 1 0 357.523 3.982 40 0 FHABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)n2)c1 ZINC000072348934 571180524 /nfs/dbraw/zinc/18/05/24/571180524.db2.gz PXOOERRVDHRICJ-LJQANCHMSA-N 1 0 372.472 3.622 40 0 FHABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cn1 ZINC000072349974 571181372 /nfs/dbraw/zinc/18/13/72/571181372.db2.gz WDMHBJWIQHYPOF-IBGZPJMESA-N 1 0 364.468 3.925 40 0 FHABRO COc1cc(C)ccc1C[NH+]1CCC([C@@]2(C)CCCCN(C)C2=O)CC1 ZINC000072371996 571185337 /nfs/dbraw/zinc/18/53/37/571185337.db2.gz GVRIZBLUFDHEKS-JOCHJYFZSA-N 1 0 358.526 3.864 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(-n4ccnc4C)n3)C2)cc1 ZINC000072379119 571187685 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571321994 /nfs/dbraw/zinc/32/19/94/571321994.db2.gz YYKCFFFHGRUDFT-AWEZNQCLSA-N 1 0 365.433 3.723 40 0 FHABRO CCOc1ccc(-c2nnc([C@H]([NH3+])Cc3ccccc3)[nH]2)cc1OCC ZINC000095534936 571331351 /nfs/dbraw/zinc/33/13/51/571331351.db2.gz KSZCRRSTDICFDG-MRXNPFEDSA-N 1 0 352.438 3.512 40 0 FHABRO C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)no1)C2 ZINC000257209510 529832096 /nfs/dbraw/zinc/83/20/96/529832096.db2.gz BQSGWVZFAXWVCZ-RMYQPGKMSA-N 1 0 369.440 3.568 40 0 FHABRO COc1ccccc1C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000000819221 219325975 /nfs/dbraw/zinc/32/59/75/219325975.db2.gz OJOXHSQCTKWFNS-UHFFFAOYSA-N 1 0 352.478 3.532 40 0 FHABRO COC[C@H]1CN(C(C)=O)CC12CC[NH+](Cc1cccc3ccccc31)CC2 ZINC000247954403 222956193 /nfs/dbraw/zinc/95/61/93/222956193.db2.gz SAHMOHGPUZLZFD-OAQYLSRUSA-N 1 0 366.505 3.547 40 0 FHABRO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)cs2)nc1 ZINC000257199742 223015724 /nfs/dbraw/zinc/01/57/24/223015724.db2.gz AARCMZVFQIIOCD-INIZCTEOSA-N 1 0 368.510 3.703 40 0 FHABRO Cc1cccnc1Nc1cc([C@H]2CCC[N@@H+](Cc3cncn3C)C2)ccn1 ZINC000257217436 223024220 /nfs/dbraw/zinc/02/42/20/223024220.db2.gz CYXLNWKSXJWMLP-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCc2ccc(F)cc2)c1 ZINC000257223471 223026818 /nfs/dbraw/zinc/02/68/18/223026818.db2.gz DXMVGGMGDLAOAR-UHFFFAOYSA-N 1 0 363.436 3.879 40 0 FHABRO Cc1cccnc1Nc1nccnc1C1CC[NH+](Cc2cncs2)CC1 ZINC000257232760 223030485 /nfs/dbraw/zinc/03/04/85/223030485.db2.gz GMGRRIBTEFHXGH-UHFFFAOYSA-N 1 0 366.494 3.760 40 0 FHABRO Fc1ccc(C[NH+]2CCC(c3ccnc(Nc4cnccn4)c3)CC2)nc1 ZINC000257236214 223032452 /nfs/dbraw/zinc/03/24/52/223032452.db2.gz HBFKEGJFOAXXPZ-UHFFFAOYSA-N 1 0 364.428 3.529 40 0 FHABRO Cc1cc(-c2ncc[nH]2)nc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257247235 223036270 /nfs/dbraw/zinc/03/62/70/223036270.db2.gz IYCIGUUECRUHIN-INIZCTEOSA-N 1 0 351.429 3.694 40 0 FHABRO Cc1cccc(C[N@H+]2[C@H](c3ccc(F)cc3)C[C@H]3NC(=O)CCCC[C@@H]32)n1 ZINC000257277715 223047921 /nfs/dbraw/zinc/04/79/21/223047921.db2.gz NZCNNRYNKGVTDS-HKBOAZHASA-N 1 0 367.468 3.904 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257316682 223063134 /nfs/dbraw/zinc/06/31/34/223063134.db2.gz VGNYXBRLOJJHIJ-KRWDZBQOSA-N 1 0 366.534 3.606 40 0 FHABRO Cc1cccc(C)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257317792 223064614 /nfs/dbraw/zinc/06/46/14/223064614.db2.gz VLELRNRMQACIMH-VWNVYAMZSA-N 1 0 356.510 3.546 40 0 FHABRO c1ccc(CN2C[C@]3(CC[N@H+](Cc4ccccn4)C3)c3ncccc32)cc1 ZINC000306136812 223111594 /nfs/dbraw/zinc/11/15/94/223111594.db2.gz QEAYMPSBBAERBQ-HSZRJFAPSA-N 1 0 356.473 3.641 40 0 FHABRO Cc1cc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc(C)c1O ZINC000012668948 220017065 /nfs/dbraw/zinc/01/70/65/220017065.db2.gz ACPFQTJJIIBVJA-UHFFFAOYSA-N 1 0 364.449 3.834 40 0 FHABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NC2CCCCC2)no1 ZINC000015673347 220159734 /nfs/dbraw/zinc/15/97/34/220159734.db2.gz ZJLRQPKLFFRSGS-IRXDYDNUSA-N 1 0 361.530 3.624 40 0 biogenic,in-vitro FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019081987 220235246 /nfs/dbraw/zinc/23/52/46/220235246.db2.gz WTBFKTLBPMKSLY-ICSRJNTNSA-N 1 0 366.509 3.592 40 0 FHABRO COCCC(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CCCCC2)CC1 ZINC000019208541 220238633 /nfs/dbraw/zinc/23/86/33/220238633.db2.gz ZGBDPLSCVISGAQ-UHFFFAOYSA-N 1 0 372.553 3.814 40 0 FHABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC000019220065 220241549 /nfs/dbraw/zinc/24/15/49/220241549.db2.gz LMVQEDAHOTWMLQ-GOSISDBHSA-N 1 0 353.510 3.804 40 0 FHABRO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@@H]2CN3CCC2CC3)c1 ZINC000019364692 220253746 /nfs/dbraw/zinc/25/37/46/220253746.db2.gz XZCBNFPCVYRZNI-HRAATJIYSA-N 1 0 368.525 3.508 40 0 FHABRO O=C(c1cc(C2CC[NH+](Cc3ccccc3)CC2)no1)N1CCCCC1 ZINC000019371867 220254065 /nfs/dbraw/zinc/25/40/65/220254065.db2.gz XOPGKNLCXAEEAF-UHFFFAOYSA-N 1 0 353.466 3.680 40 0 FHABRO COc1ccc(CN(Cc2cncn2C)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000019461009 220259852 /nfs/dbraw/zinc/25/98/52/220259852.db2.gz CAKFBVYHRQSLEY-UHFFFAOYSA-N 1 0 370.541 3.740 40 0 FHABRO CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000019446672 220257432 /nfs/dbraw/zinc/25/74/32/220257432.db2.gz KMJNYABWAOREAR-UGKGYDQZSA-N 1 0 366.509 3.592 40 0 FHABRO CCC[NH+]1CCC(C[C@@H]2CC(c3ccccc3C)=NO2)(C(=O)OCC)CC1 ZINC000019502605 220263681 /nfs/dbraw/zinc/26/36/81/220263681.db2.gz FHDIGGKYNQPFLX-SFHVURJKSA-N 1 0 372.509 3.933 40 0 FHABRO CCN(CC)c1nc(-c2cccnc2)nc2c1CCN(Cc1ccccc1)C2 ZINC000019526483 220268320 /nfs/dbraw/zinc/26/83/20/220268320.db2.gz RQTIWBUBYVJMAW-UHFFFAOYSA-N 1 0 373.504 3.943 40 0 FHABRO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2ncccc23)cc1Cn1cccn1 ZINC000019559433 220270719 /nfs/dbraw/zinc/27/07/19/220270719.db2.gz NTCMAOWXTSQAFB-GHTZIAJQSA-N 1 0 360.461 3.597 40 0 FHABRO Cc1nc(C)c(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)s1 ZINC000019560166 220270897 /nfs/dbraw/zinc/27/08/97/220270897.db2.gz IEEPRFBIMVGKHL-KZNAEPCWSA-N 1 0 373.497 3.601 40 0 FHABRO COc1ccc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c(F)c1 ZINC000019551779 220271917 /nfs/dbraw/zinc/27/19/17/220271917.db2.gz WAEZZQDBUPEBDF-HMXCVIKNSA-N 1 0 358.432 3.693 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4scnc4C)o3)C2)c1 ZINC000019562804 220273957 /nfs/dbraw/zinc/27/39/57/220273957.db2.gz BJPZIVURNQPEEZ-HNNXBMFYSA-N 1 0 370.478 3.890 40 0 FHABRO COc1ccccc1-c1noc(C)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000019579680 220276207 /nfs/dbraw/zinc/27/62/07/220276207.db2.gz RKFFDNADZYYNKM-HNNXBMFYSA-N 1 0 371.481 3.509 40 0 FHABRO COCCc1ncc(C[NH2+][C@@H]2[C@H]3CCCC[C@H]3[C@H]2c2ccccc2)cn1 ZINC000019593868 220278294 /nfs/dbraw/zinc/27/82/94/220278294.db2.gz YKSBZZSRYMGFJO-NPDDRXJXSA-N 1 0 351.494 3.728 40 0 FHABRO C[C@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019718295 220290514 /nfs/dbraw/zinc/29/05/14/220290514.db2.gz ZLVKRNPYTAIIGD-MRXNPFEDSA-N 1 0 360.461 3.511 40 0 FHABRO CC[NH+](CC)CCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000022075329 220376973 /nfs/dbraw/zinc/37/69/73/220376973.db2.gz JWBMISULFYGHIV-UHFFFAOYSA-N 1 0 360.473 3.845 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4F)o3)C2)cc1 ZINC000049170512 221019985 /nfs/dbraw/zinc/01/99/85/221019985.db2.gz SAXXDPPLEAONND-HNNXBMFYSA-N 1 0 353.397 3.874 40 0 biogenic,in-vitro FHABRO O=C(C[NH2+]Cc1ccc(F)cc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057698787 221092820 /nfs/dbraw/zinc/09/28/20/221092820.db2.gz XPJOITHIKBNPQD-UHFFFAOYSA-N 1 0 355.457 3.934 40 0 FHABRO CN1CCC([NH2+][C@H]2C[C@@H](Cc3cc(-c4ccccc4)on3)C2(C)C)CC1 ZINC000067889902 221301344 /nfs/dbraw/zinc/30/13/44/221301344.db2.gz WNKHAFPTKCSOHG-UTKZUKDTSA-N 1 0 353.510 3.983 40 0 biogenic,in-vitro FHABRO C[C@H]1CCC[C@H](C)[NH+]1C[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 ZINC000072238839 221453127 /nfs/dbraw/zinc/45/31/27/221453127.db2.gz OOGFLUIOEMMFGW-XYOAMNRESA-N 1 0 365.558 3.612 40 0 FHABRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1)N1CCOc2ccccc21 ZINC000225904340 132287484 /nfs/dbraw/zinc/28/74/84/132287484.db2.gz UHQHGPGPYCWLBH-KRWDZBQOSA-N 1 0 370.880 3.978 40 0 FHABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CC2)[nH+]1 ZINC000328983732 132372090 /nfs/dbraw/zinc/37/20/90/132372090.db2.gz HJLJEOLPLCFJPV-UHFFFAOYSA-N 1 0 364.371 3.821 40 0 FHABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@H](C)CO)[nH+]1 ZINC000329010144 132372281 /nfs/dbraw/zinc/37/22/81/132372281.db2.gz LZOXPVCNQFJFAO-CYBMUJFWSA-N 1 0 360.889 3.609 40 0 FHABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NC2CC2)[nH+]1 ZINC000329019281 132372491 /nfs/dbraw/zinc/37/24/91/132372491.db2.gz NVWWBXFMCRWKIS-AWEZNQCLSA-N 1 0 352.482 3.790 40 0 FHABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CC2)[nH+]1 ZINC000329036044 132372872 /nfs/dbraw/zinc/37/28/72/132372872.db2.gz RHQHHEYEJYSJJB-UHFFFAOYSA-N 1 0 359.271 3.685 40 0 FHABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CC3)[nH+]c(C(C)C)n1)C2 ZINC000329047105 132373123 /nfs/dbraw/zinc/37/31/23/132373123.db2.gz UEUGUTYPQRKDMV-UHFFFAOYSA-N 1 0 366.465 3.524 40 0 FHABRO O[C@H](c1nccs1)c1ccccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000072340473 136144607 /nfs/dbraw/zinc/14/46/07/136144607.db2.gz GPJXGGSMVKOMGM-SFHVURJKSA-N 1 0 371.531 3.609 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)s1 ZINC000096049249 222001471 /nfs/dbraw/zinc/00/14/71/222001471.db2.gz UXIMTHVKTQFJCT-UHFFFAOYSA-N 1 0 362.520 3.516 40 0 FHABRO Cc1nc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cs1 ZINC000096071604 222012708 /nfs/dbraw/zinc/01/27/08/222012708.db2.gz ACZLNFRDGIGIFB-FQEVSTJZSA-N 1 0 356.539 3.643 40 0 FHABRO Cc1cccc(CN2CC[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077347 222014020 /nfs/dbraw/zinc/01/40/20/222014020.db2.gz SNGOTXBYCFKBPD-JOCHJYFZSA-N 1 0 352.453 3.759 40 0 FHABRO O=C(c1cccnc1)N1CCC2(C[C@H]([NH+]3CCCC3)c3ccccc32)CC1 ZINC000096079208 222015094 /nfs/dbraw/zinc/01/50/94/222015094.db2.gz KPPIOPSFDVMUGQ-NRFANRHFSA-N 1 0 361.489 3.796 40 0 FHABRO c1cnc(N2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)nc1 ZINC000096078820 222015531 /nfs/dbraw/zinc/01/55/31/222015531.db2.gz LUTWAZLQMVKZPM-UHFFFAOYSA-N 1 0 357.461 3.557 40 0 FHABRO CC(C)CN1c2ccccc2[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1=O ZINC000096100309 222023008 /nfs/dbraw/zinc/02/30/08/222023008.db2.gz DJIHMLHSAJCCLO-QFIPXVFZSA-N 1 0 352.453 3.972 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)n1 ZINC000096239610 222095112 /nfs/dbraw/zinc/09/51/12/222095112.db2.gz FATVPHHEOZMEKI-LJQANCHMSA-N 1 0 358.436 3.523 40 0 FHABRO Cc1ccc(N2CC[C@@]3(C2)C[N@H+](Cc2cccs2)CCC3(F)F)nn1 ZINC000096239760 222095204 /nfs/dbraw/zinc/09/52/04/222095204.db2.gz KQGCVNPYZKDXMZ-KRWDZBQOSA-N 1 0 364.465 3.584 40 0 FHABRO Cc1cccc(CO[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccsc2)C3)n1 ZINC000096208529 222078662 /nfs/dbraw/zinc/07/86/62/222078662.db2.gz PGMUGGAVPSULSV-PMACEKPBSA-N 1 0 358.507 3.792 40 0 FHABRO [NH3+]Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Br)c1 ZINC000098211091 222229751 /nfs/dbraw/zinc/22/97/51/222229751.db2.gz PNFUEKLDBBYYTI-QMMMGPOBSA-N 1 0 368.071 3.711 40 0 FHABRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)ccc1OCC(=O)N1CCCC1 ZINC000107326532 222391698 /nfs/dbraw/zinc/39/16/98/222391698.db2.gz XLTHLDILRPMXCA-AOIWGVFYSA-N 1 0 374.525 3.611 40 0 FHABRO Cc1ccccc1C[N@@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000107248550 222392725 /nfs/dbraw/zinc/39/27/25/222392725.db2.gz PKVOCIQBDCMKIS-QHCPKHFHSA-N 1 0 372.472 3.521 40 0 FHABRO CCOc1c(Br)cc(C[NH2+]Cc2ccncc2)cc1OC ZINC000006870200 263347864 /nfs/dbraw/zinc/34/78/64/263347864.db2.gz OFNIZRQAAWRZMY-UHFFFAOYSA-N 1 0 351.244 3.541 40 0 FHABRO O[C@@H](C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(F)cc1 ZINC000025217791 263388629 /nfs/dbraw/zinc/38/86/29/263388629.db2.gz OLYOSAMUPWLZNO-SFHVURJKSA-N 1 0 368.374 3.700 40 0 FHABRO Cc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCC[N@H+]4C)[nH]n2)cc1 ZINC000257227301 534171235 /nfs/dbraw/zinc/17/12/35/534171235.db2.gz FOPNXKBARHHWQT-UNMCSNQZSA-N 1 0 366.509 3.864 40 0 FHABRO Cc1nc(CN2CC[N@@H+](C)C[C@H](Cc3cncc4ccccc43)C2)cs1 ZINC000257256496 534357774 /nfs/dbraw/zinc/35/77/74/534357774.db2.gz KLSPTGZYCHNXME-KRWDZBQOSA-N 1 0 366.534 3.606 40 0 FHABRO Fc1ccc(-c2cnc3n2C[C@]2(CC[N@H+](Cc4ccsc4)C2)OC3)cc1 ZINC000306143364 534453813 /nfs/dbraw/zinc/45/38/13/534453813.db2.gz YAGFBKWJMFMSOZ-HXUWFJFHSA-N 1 0 369.465 3.926 40 0 FHABRO Fc1ccc(C[N@@H+]2C[C@H]3Cc4cnc(NCc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306133504 534464412 /nfs/dbraw/zinc/46/44/12/534464412.db2.gz MNHVZYJNBPGKFF-TZIWHRDSSA-N 1 0 374.463 4.000 40 0 FHABRO Fc1ccc(Cc2cnc([C@H]3CCC[N@H+](Cc4cnccn4)C3)o2)cc1 ZINC000257213783 534474142 /nfs/dbraw/zinc/47/41/42/534474142.db2.gz CJBGBNZVPWPIAE-INIZCTEOSA-N 1 0 352.413 3.574 40 0 FHABRO NC(=O)c1ccc(-c2ccc([C@@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257210751 534473456 /nfs/dbraw/zinc/47/34/56/534473456.db2.gz BWAOUMRSDXSZAT-QFIPXVFZSA-N 1 0 372.472 3.970 40 0 FHABRO NC(=O)c1ccc(-c2ccc([C@H]3CCCC[N@@H+]3Cc3ccccn3)cn2)cc1 ZINC000257210750 534474285 /nfs/dbraw/zinc/47/42/85/534474285.db2.gz BWAOUMRSDXSZAT-JOCHJYFZSA-N 1 0 372.472 3.970 40 0 FHABRO CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020121716 521107373 /nfs/dbraw/zinc/10/73/73/521107373.db2.gz RDWKFJIHDGZGEQ-FQEVSTJZSA-N 1 0 374.577 3.970 40 0 FHABRO CCC[C@H](c1nnnn1C(C)(C)CC)N1CC[NH+](C2CCCCC2)CC1 ZINC000020139865 521195660 /nfs/dbraw/zinc/19/56/60/521195660.db2.gz MKMSPXRTXAXRHZ-GOSISDBHSA-N 1 0 362.566 3.610 40 0 FHABRO O=C(COc1ccc2ccccc2c1)N1CC[NH+]([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000019913617 526971455 /nfs/dbraw/zinc/97/14/55/526971455.db2.gz CIQVBVNZVDDABJ-WEYGHZABSA-N 1 0 364.489 3.551 40 0 FHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4ccccn4)[C@@H]3C[C@H]21 ZINC000257226401 527817627 /nfs/dbraw/zinc/81/76/27/527817627.db2.gz FKNDCRATCMJZLX-UKAVVXHISA-N 1 0 350.462 3.973 40 0 FHABRO CCNc1cc([C@@H]2CCC[N@@H+]2CC2=Cc3ccccc3OC2)nc(C)n1 ZINC000257309490 528427021 /nfs/dbraw/zinc/42/70/21/528427021.db2.gz UBDPWJQNBHPRMR-IBGZPJMESA-N 1 0 350.466 3.830 40 0 FHABRO CC[C@H](C)Nc1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328993027 536148974 /nfs/dbraw/zinc/14/89/74/536148974.db2.gz IXQVOQKFVXSKME-JKSUJKDBSA-N 1 0 368.525 3.848 40 0 FHABRO CCC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289861 560031163 /nfs/dbraw/zinc/03/11/63/560031163.db2.gz PJYDHLRITZOMSJ-QUCCMNQESA-N 1 0 372.415 3.559 40 0 biogenic,in-vitro FHABRO COc1cccc(C[N@@H+]2CC[C@H]3COC(=O)N3c3cc(C)ccc3C2)c1 ZINC000225489794 560042537 /nfs/dbraw/zinc/04/25/37/560042537.db2.gz DEGQOJLMZYBVIM-SFHVURJKSA-N 1 0 352.434 3.735 40 0 biogenic,in-vitro FHABRO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](C4CCCCC4)C3)nc2c1 ZINC000035446882 560079152 /nfs/dbraw/zinc/07/91/52/560079152.db2.gz ILCMUFWFQJIIOQ-AWEZNQCLSA-N 1 0 362.495 3.743 40 0 biogenic,in-vitro FHABRO C[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216324891 568118109 /nfs/dbraw/zinc/11/81/09/568118109.db2.gz IQZFMELLLJIXEM-OAGGEKHMSA-N 1 0 352.906 3.592 40 0 FHABRO CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222818379 568567030 /nfs/dbraw/zinc/56/70/30/568567030.db2.gz DUGVFTPLYIFLSJ-OALUTQOASA-N 1 0 363.490 3.648 40 0 FHABRO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223340093 568642505 /nfs/dbraw/zinc/64/25/05/568642505.db2.gz VFRVBEKEALMGGI-MRXNPFEDSA-N 1 0 370.468 3.924 40 0 FHABRO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585283560 570493100 /nfs/dbraw/zinc/49/31/00/570493100.db2.gz RXACQCZGONYTSJ-LJQANCHMSA-N 1 0 353.890 3.505 40 0 FHABRO CC[NH+](CC)CCC[C@H](C)NC(=O)Nc1cc(OC)cc2cccnc21 ZINC000002042664 570511819 /nfs/dbraw/zinc/51/18/19/570511819.db2.gz PCCURHYZQJRWEO-HNNXBMFYSA-N 1 0 358.486 3.875 40 0 FHABRO Cc1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108527790 570526775 /nfs/dbraw/zinc/52/67/75/570526775.db2.gz JLCOAVYGYAWDTA-IBGZPJMESA-N 1 0 370.472 3.550 40 0 FHABRO Nc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)ccn1 ZINC000072357462 570542625 /nfs/dbraw/zinc/54/26/25/570542625.db2.gz QMCXMSTYYGFBRX-LJQANCHMSA-N 1 0 361.493 3.866 40 0 FHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4F)C3)n2)c1 ZINC000072369853 570546551 /nfs/dbraw/zinc/54/65/51/570546551.db2.gz RWBGZLATOQLGJR-MRXNPFEDSA-N 1 0 353.397 3.874 40 0 FHABRO C[C@H]1C[C@]2(C[C@H](C[NH+](C3CCCCC3)C3CCCCC3)OC2=O)C(=O)O1 ZINC000005495950 570628540 /nfs/dbraw/zinc/62/85/40/570628540.db2.gz NEYOBFYBCKOYGK-KLHJMIIUSA-N 1 0 363.498 3.591 40 0 FHABRO CC[NH+](CC)CCSC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1 ZINC000006382335 570646205 /nfs/dbraw/zinc/64/62/05/570646205.db2.gz OGOKMCAPVDEHOL-NRFANRHFSA-N 1 0 357.519 3.833 40 0 FHABRO O=C(COc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011844 570676033 /nfs/dbraw/zinc/67/60/33/570676033.db2.gz CAMIIDLKZBRDEQ-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO COc1ccccc1/C=C/C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008011731 570676254 /nfs/dbraw/zinc/67/62/54/570676254.db2.gz PIPYTUDUQYFJRN-OUKQBFOZSA-N 1 0 350.462 3.621 40 0 FHABRO CC(C)[N@@H+]1CC[C@H](CCc2ccc(NC(=O)c3cc[nH]n3)cc2)[C@@H](C)C1 ZINC000012087360 570717106 /nfs/dbraw/zinc/71/71/06/570717106.db2.gz ZPDOVFWOQIPZDK-WMZOPIPTSA-N 1 0 354.498 3.961 40 0 FHABRO C[C@H]1Cc2cc(C[NH2+]Cc3cc(-c4ccc(F)cc4)c[nH]c3=O)ccc2O1 ZINC000012187378 570724870 /nfs/dbraw/zinc/72/48/70/570724870.db2.gz MDDVRLORFDCGBB-AWEZNQCLSA-N 1 0 364.420 3.794 40 0 FHABRO COc1ccc2c(c1)C=C(C[NH+]1CCC(O)(c3ccccc3F)CC1)CO2 ZINC000012240449 570730378 /nfs/dbraw/zinc/73/03/78/570730378.db2.gz SQWGEEMHCXMGTD-UHFFFAOYSA-N 1 0 369.436 3.594 40 0 FHABRO CC1CC[NH+](C[C@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)CC1 ZINC000012291635 570732370 /nfs/dbraw/zinc/73/23/70/570732370.db2.gz YMEVBUCKZCOLIR-QFIPXVFZSA-N 1 0 370.537 3.921 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2cn(C)c3ccccc23)CC1 ZINC000012328790 570737197 /nfs/dbraw/zinc/73/71/97/570737197.db2.gz UMMJOEVAFMEOQK-UHFFFAOYSA-N 1 0 350.462 3.671 40 0 FHABRO Cc1cnc(-c2nc(C3CC[NH+](Cc4ccc(Cl)cc4)CC3)no2)cn1 ZINC000012337363 570737863 /nfs/dbraw/zinc/73/78/63/570737863.db2.gz ZPNWWOVUQRIFPV-UHFFFAOYSA-N 1 0 369.856 3.868 40 0 FHABRO COc1ccc(CN(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000009062862 570802768 /nfs/dbraw/zinc/80/27/68/570802768.db2.gz SNLWZRVVQRYQGU-UHFFFAOYSA-N 1 0 352.478 3.566 40 0 FHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000044845974 570868022 /nfs/dbraw/zinc/86/80/22/570868022.db2.gz WRJRCZGDIAPEDI-BJLQDIEVSA-N 1 0 360.542 3.945 40 0 FHABRO C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)CC1 ZINC000023134260 570957012 /nfs/dbraw/zinc/95/70/12/570957012.db2.gz VWOCAKNKRHWCRV-IZZDOVSWSA-N 1 0 355.869 3.744 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000024114994 570972354 /nfs/dbraw/zinc/97/23/54/570972354.db2.gz NCQJYGPGIHTHPB-MRXNPFEDSA-N 1 0 356.441 3.505 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc(F)cc3)cc2)C1 ZINC000224335023 570985401 /nfs/dbraw/zinc/98/54/01/570985401.db2.gz GPTPEMCSZJGGAW-QGZVFWFLSA-N 1 0 370.468 3.866 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000224623764 570995172 /nfs/dbraw/zinc/99/51/72/570995172.db2.gz TWYYAIPYXJEIQX-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1 ZINC000224626628 570995697 /nfs/dbraw/zinc/99/56/97/570995697.db2.gz PUXLNACRWFRCFJ-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO COc1ccc(CCC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000224741763 570999912 /nfs/dbraw/zinc/99/99/12/570999912.db2.gz SQBOLWVUHBACIX-UHFFFAOYSA-N 1 0 366.505 3.501 40 0 FHABRO Cc1ccc(CS(=O)(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1 ZINC000224828565 571001828 /nfs/dbraw/zinc/00/18/28/571001828.db2.gz XWRXDBLDOMUQMG-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO Cc1cc(Br)cc(C)c1NC(=S)NCCCn1ccnc1 ZINC000225193602 571020968 /nfs/dbraw/zinc/02/09/68/571020968.db2.gz MHFONOJIQPXDTL-UHFFFAOYSA-N 1 0 367.316 3.639 40 0 FHABRO COc1ccc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cc1F ZINC000225395429 571032838 /nfs/dbraw/zinc/03/28/38/571032838.db2.gz ABTQJLOEHITGJC-UHFFFAOYSA-N 1 0 358.413 3.560 40 0 FHABRO C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)o1 ZINC000029207120 571045272 /nfs/dbraw/zinc/04/52/72/571045272.db2.gz FLLDICOBGRAXQN-HGIXYHNESA-N 1 0 361.445 3.977 40 0 FHABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030867621 571051722 /nfs/dbraw/zinc/05/17/22/571051722.db2.gz SABPNMJUZZHYGV-SOLBZPMBSA-N 1 0 366.933 3.982 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000225643995 571052139 /nfs/dbraw/zinc/05/21/39/571052139.db2.gz DOECGXLOFRJRNQ-DRSNIGMVSA-N 1 0 374.525 3.797 40 0 FHABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@@H](C)C1 ZINC000225662401 571053715 /nfs/dbraw/zinc/05/37/15/571053715.db2.gz WDQAWAHBXDEBPP-UTKZUKDTSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1ccc(SCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000032462803 571057830 /nfs/dbraw/zinc/05/78/30/571057830.db2.gz RZRGENBBXKWHLD-UHFFFAOYSA-N 1 0 354.519 3.999 40 0 FHABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000036752862 571082055 /nfs/dbraw/zinc/08/20/55/571082055.db2.gz CPHVYDLJFXEDFA-IBGZPJMESA-N 1 0 368.525 3.566 40 0 FHABRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(OC)c1 ZINC000038834632 571087132 /nfs/dbraw/zinc/08/71/32/571087132.db2.gz BGRJSYPEYNYAKP-QGZVFWFLSA-N 1 0 354.450 3.555 40 0 FHABRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(OC)c1 ZINC000038834653 571087163 /nfs/dbraw/zinc/08/71/63/571087163.db2.gz UKLKQRKCHAPPIL-INIZCTEOSA-N 1 0 372.440 3.694 40 0 FHABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000038834450 571087281 /nfs/dbraw/zinc/08/72/81/571087281.db2.gz PWXWTFBNHKMZSS-LJQANCHMSA-N 1 0 366.461 3.714 40 0 FHABRO CC(C)(C)SCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038852204 571088157 /nfs/dbraw/zinc/08/81/57/571088157.db2.gz ZCXMVFWGUKHAKZ-MRXNPFEDSA-N 1 0 352.519 3.686 40 0 FHABRO O=C(NCc1ccc2c(c1)OCO2)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038858796 571088305 /nfs/dbraw/zinc/08/83/05/571088305.db2.gz RTIXUXKKKMRWDN-UHFFFAOYSA-N 1 0 366.461 3.721 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc(Br)c2)C1 ZINC000083552565 571101183 /nfs/dbraw/zinc/10/11/83/571101183.db2.gz PRMNJZYGYAPRJX-AWEZNQCLSA-N 1 0 355.276 3.548 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000044899873 571103855 /nfs/dbraw/zinc/10/38/55/571103855.db2.gz YGDPWPHHMVDSEE-WBVHZDCISA-N 1 0 352.906 3.878 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000089223455 571139383 /nfs/dbraw/zinc/13/93/83/571139383.db2.gz XBLATSAIKIAMQF-OAHLLOKOSA-N 1 0 369.303 3.591 40 0 FHABRO CC(C)(CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1=CCCCC1 ZINC000627015516 571145744 /nfs/dbraw/zinc/14/57/44/571145744.db2.gz SLOLWYIATGPJRD-UKRRQHHQSA-N 1 0 361.452 3.682 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cc1 ZINC000072340973 571179429 /nfs/dbraw/zinc/17/94/29/571179429.db2.gz HPMXDWWNRHTGIO-AAIMPIBUSA-N 1 0 367.489 3.824 40 0 FHABRO COC(=O)[C@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072341108 571179535 /nfs/dbraw/zinc/17/95/35/571179535.db2.gz WBSLODQSNBEOIO-LZNRXBQRSA-N 1 0 371.477 3.517 40 0 FHABRO COc1cccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)c1 ZINC000072358158 571183238 /nfs/dbraw/zinc/18/32/38/571183238.db2.gz HRGAFWCJSLTFBR-QFIPXVFZSA-N 1 0 352.478 3.997 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 ZINC000072358172 571183330 /nfs/dbraw/zinc/18/33/30/571183330.db2.gz SOZGZTHCARPPQY-LJQANCHMSA-N 1 0 357.885 3.551 40 0 FHABRO COCC[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359359 571183792 /nfs/dbraw/zinc/18/37/92/571183792.db2.gz BHGLLPYLRIZMOS-OAHLLOKOSA-N 1 0 365.399 3.988 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3ccccn3)n2)cc1 ZINC000072377431 571186660 /nfs/dbraw/zinc/18/66/60/571186660.db2.gz IMFZNFMWLZHUAH-IBGZPJMESA-N 1 0 361.449 3.961 40 0 FHABRO Cc1ccc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)o1 ZINC000072392818 571190452 /nfs/dbraw/zinc/19/04/52/571190452.db2.gz FOZKZNUFLYSOBP-UHFFFAOYSA-N 1 0 350.422 3.525 40 0 FHABRO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(C(=O)C4CCCC4)C[C@H]32)c1 ZINC000072399154 571190676 /nfs/dbraw/zinc/19/06/76/571190676.db2.gz QFYOJOLDESHODN-PZJWPPBQSA-N 1 0 356.510 3.698 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395565 571190853 /nfs/dbraw/zinc/19/08/53/571190853.db2.gz YLJDTDVOKQGSKA-VQTJNVASSA-N 1 0 351.425 3.941 40 0 FHABRO COc1ccccc1/C=C/C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073555497 571200846 /nfs/dbraw/zinc/20/08/46/571200846.db2.gz SIFYHWRCGMGNPV-VAWYXSNFSA-N 1 0 350.462 3.621 40 0 FHABRO c1coc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)c1 ZINC000585105547 571223734 /nfs/dbraw/zinc/22/37/34/571223734.db2.gz ZJXQDHFDFMUALZ-LJQANCHMSA-N 1 0 356.466 3.653 40 0 FHABRO Clc1cccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c1Cl ZINC000228930613 571278269 /nfs/dbraw/zinc/27/82/69/571278269.db2.gz GQVHAJGGQIHFLP-UHFFFAOYSA-N 1 0 363.252 3.801 40 0 FHABRO Clc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)c(Cl)c1 ZINC000228920960 571278313 /nfs/dbraw/zinc/27/83/13/571278313.db2.gz VWGIIZCSLPGWRM-UHFFFAOYSA-N 1 0 363.252 3.801 40 0 FHABRO CSc1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(C)cc4)[C@@H]3C2)cn1 ZINC000248084665 571291067 /nfs/dbraw/zinc/29/10/67/571291067.db2.gz KNBCWMOYTUBDJR-FBBABVLZSA-N 1 0 369.534 3.627 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@@H+](CC[C@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000248340335 571291317 /nfs/dbraw/zinc/29/13/17/571291317.db2.gz UVGASQWPSILMPX-LPHOPBHVSA-N 1 0 363.509 3.993 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cc1 ZINC000012328564 571303456 /nfs/dbraw/zinc/30/34/56/571303456.db2.gz HPMXDWWNRHTGIO-QTGUNEKASA-N 1 0 367.489 3.824 40 0 FHABRO CC[N@H+](C)[C@@H]1CN(C(=O)c2oc3c(c2C)C(=O)CCC3)C2(C1)CCCCC2 ZINC000019703810 571304478 /nfs/dbraw/zinc/30/44/78/571304478.db2.gz XYNCYXWNQSXTGJ-INIZCTEOSA-N 1 0 372.509 3.976 40 0 FHABRO Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H]2CCCC(=O)N3Cc2ccc(F)cc2)s1 ZINC000019713291 571304627 /nfs/dbraw/zinc/30/46/27/571304627.db2.gz UUTKZNHVSIUQLC-RTBURBONSA-N 1 0 373.497 3.746 40 0 FHABRO CNc1cc(CC2CC[NH+](Cc3cccc4ncccc34)CC2)nc(C)n1 ZINC000019758898 571304786 /nfs/dbraw/zinc/30/47/86/571304786.db2.gz JPKPJZBVUKJKBC-UHFFFAOYSA-N 1 0 361.493 3.830 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2N(C(=O)c3ccn[nH]3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000019713483 571304862 /nfs/dbraw/zinc/30/48/62/571304862.db2.gz SCHDENFZXVWZOX-CBQOVEMMSA-N 1 0 366.509 3.500 40 0 FHABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224619140 222816666 /nfs/dbraw/zinc/81/66/66/222816666.db2.gz ZWZLCGIEPYBWCX-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224685097 222817931 /nfs/dbraw/zinc/81/79/31/222817931.db2.gz DTJDYCJGOFUJER-GOSISDBHSA-N 1 0 352.478 3.756 40 0 FHABRO O=C(c1ccccc1F)N1CCC[C@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257202005 223017445 /nfs/dbraw/zinc/01/74/45/223017445.db2.gz AKBMXKYDWADSBE-FQEVSTJZSA-N 1 0 353.441 3.794 40 0 FHABRO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)ccn2)n1 ZINC000257212455 223021379 /nfs/dbraw/zinc/02/13/79/223021379.db2.gz CDLPYIQXSMCMLH-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO c1c[nH]c(-c2cncc(C[C@H]3CCC[N@H+](Cc4cccc5[nH]ccc54)C3)n2)n1 ZINC000257213621 223021765 /nfs/dbraw/zinc/02/17/65/223021765.db2.gz CIJJMZQLZCTXFQ-MRXNPFEDSA-N 1 0 372.476 3.803 40 0 FHABRO Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)n1 ZINC000257247236 223035639 /nfs/dbraw/zinc/03/56/39/223035639.db2.gz IYCIGUUECRUHIN-MRXNPFEDSA-N 1 0 351.429 3.694 40 0 FHABRO C[C@]12CCCN(C(=O)c3ccnc(Cc4cccc(F)c4)c3)[C@@H]1CCC[NH2+]2 ZINC000257286898 223050499 /nfs/dbraw/zinc/05/04/99/223050499.db2.gz PNOCUBAYKPPHBZ-IRLDBZIGSA-N 1 0 367.468 3.558 40 0 FHABRO C[C@]12CCCN(C(=O)c3cc(-c4ccccc4F)no3)[C@H]1CCCC[NH2+]2 ZINC000257288401 223050776 /nfs/dbraw/zinc/05/07/76/223050776.db2.gz PUAXEUCCMDGJLF-ICSRJNTNSA-N 1 0 357.429 3.618 40 0 FHABRO Cc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306130582 223108337 /nfs/dbraw/zinc/10/83/37/223108337.db2.gz JKEKAIABMRVISL-DEOSSOPVSA-N 1 0 370.500 3.949 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135171 223110299 /nfs/dbraw/zinc/11/02/99/223110299.db2.gz OJSVPQZBCAVOEE-SJORKVTESA-N 1 0 365.502 3.925 40 0 FHABRO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000010324638 219898791 /nfs/dbraw/zinc/89/87/91/219898791.db2.gz JULIRMXSYHIRDC-UHFFFAOYSA-N 1 0 372.852 3.975 40 0 FHABRO O[C@@H](C[NH+]1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000012292073 219975241 /nfs/dbraw/zinc/97/52/41/219975241.db2.gz KSNFOADMXOIHEX-SFHVURJKSA-N 1 0 365.395 3.722 40 0 FHABRO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc(OC(C)C)cc3)C[C@H]21 ZINC000013227682 220061782 /nfs/dbraw/zinc/06/17/82/220061782.db2.gz CWALPVSVYPZMFK-WPYKKVEZSA-N 1 0 366.505 3.907 40 0 FHABRO OCC[N@H+](Cc1ccc(OCc2ccccc2F)cc1)Cc1cccnc1 ZINC000013569642 220074694 /nfs/dbraw/zinc/07/46/94/220074694.db2.gz CPBLXJGVUQBIJH-UHFFFAOYSA-N 1 0 366.436 3.794 40 0 FHABRO COc1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc(OC)c1OC ZINC000013993286 220101725 /nfs/dbraw/zinc/10/17/25/220101725.db2.gz HDJYFTBSBDFGED-IBGZPJMESA-N 1 0 371.477 3.894 40 0 FHABRO COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(C)=O ZINC000019019534 220233471 /nfs/dbraw/zinc/23/34/71/220233471.db2.gz ROAOSBYDCCOEHP-UFYCRDLUSA-N 1 0 370.518 3.593 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000019081974 220235821 /nfs/dbraw/zinc/23/58/21/220235821.db2.gz JZQPUGTZEMYQPR-XLIONFOSSA-N 1 0 366.509 3.592 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnsc3-c3cc(C)no3)C2)c1 ZINC000019120780 220238072 /nfs/dbraw/zinc/23/80/72/220238072.db2.gz HYLPOYYZBRRSBR-OAHLLOKOSA-N 1 0 370.478 3.890 40 0 FHABRO Cc1ccc(-c2cc([C@@H]3CC[N@H+](Cc4cccnc4)C3)nc(N(C)C)n2)cc1 ZINC000019212204 220239549 /nfs/dbraw/zinc/23/95/49/220239549.db2.gz SQUBRZPOFWGPCQ-HXUWFJFHSA-N 1 0 373.504 3.903 40 0 FHABRO COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc2c(n1)CC[N@@H+](C)C2 ZINC000019235984 220243136 /nfs/dbraw/zinc/24/31/36/220243136.db2.gz PLHKEGCMEHVSMV-HXUWFJFHSA-N 1 0 366.509 3.509 40 0 FHABRO [NH3+][C@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(Cl)cc3)c2C1 ZINC000019341126 220251669 /nfs/dbraw/zinc/25/16/69/220251669.db2.gz CXTIVZBAHSEANS-AWEZNQCLSA-N 1 0 351.841 3.752 40 0 FHABRO OC1(Cn2ccc3ncccc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000019346437 220251847 /nfs/dbraw/zinc/25/18/47/220251847.db2.gz HFPHZDRLPLWEEP-NYTJIUQPSA-N 1 0 353.491 3.656 40 0 FHABRO O=C(CCc1ccccc1)N1CCC[C@H]2[NH2+]C[C@H](c3ccc(F)cc3)[C@H]21 ZINC000019370810 220253684 /nfs/dbraw/zinc/25/36/84/220253684.db2.gz DVCMVMLZRFSCCP-KCZVDYSFSA-N 1 0 352.453 3.505 40 0 FHABRO C[C@H](Cc1ccccn1)[N@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019456956 220257911 /nfs/dbraw/zinc/25/79/11/220257911.db2.gz XRFUCHNCDXNMCH-BEFAXECRSA-N 1 0 350.466 3.872 40 0 FHABRO C[C@H](CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1)[NH+]1CCCC1 ZINC000019455570 220258487 /nfs/dbraw/zinc/25/84/87/220258487.db2.gz PKNNMMVNPNQCHV-MSOLQXFVSA-N 1 0 362.489 3.708 40 0 FHABRO C[C@H]1CCCC[N@@H+]1CCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019496376 220261367 /nfs/dbraw/zinc/26/13/67/220261367.db2.gz SDSGIDKAYNAHTH-ZDUSSCGKSA-N 1 0 368.403 3.719 40 0 FHABRO C[C@H]1C[C@@H]1C(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000019462803 220261533 /nfs/dbraw/zinc/26/15/33/220261533.db2.gz IMPPOBNSPPUYNM-HOCLYGCPSA-N 1 0 354.498 3.907 40 0 FHABRO CCCC[C@H](c1nnnn1C1CCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019502109 220263369 /nfs/dbraw/zinc/26/33/69/220263369.db2.gz ITNCOWHNEVHXOF-LJQANCHMSA-N 1 0 360.550 3.580 40 0 FHABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)no1 ZINC000019503712 220265767 /nfs/dbraw/zinc/26/57/67/220265767.db2.gz HFHRPVHQUFIMAJ-HNNXBMFYSA-N 1 0 361.873 3.847 40 0 FHABRO CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](CC2CC2)C1 ZINC000019529119 220268924 /nfs/dbraw/zinc/26/89/24/220268924.db2.gz AUPQQKIFTYNACX-QHCPKHFHSA-N 1 0 363.505 3.529 40 0 FHABRO Cc1sc2nc(C)n(C3CC[NH+](Cc4cccnc4)CC3)c(=O)c2c1C ZINC000019561242 220274625 /nfs/dbraw/zinc/27/46/25/220274625.db2.gz OUPAWPOGWKMLRC-UHFFFAOYSA-N 1 0 368.506 3.615 40 0 FHABRO Cc1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc3c4ccccc4n(C)c3c1)C2 ZINC000019576617 220275878 /nfs/dbraw/zinc/27/58/78/220275878.db2.gz SPSFKRJLLIPKAZ-UHFFFAOYSA-N 1 0 358.445 3.694 40 0 FHABRO C[NH+](C)CCCN(Cc1cccn1-c1ccc(F)cc1)Cc1ccccn1 ZINC000019582211 220275527 /nfs/dbraw/zinc/27/55/27/220275527.db2.gz BWJXHVGQQLHMQC-UHFFFAOYSA-N 1 0 366.484 3.965 40 0 FHABRO C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000019581966 220276809 /nfs/dbraw/zinc/27/68/09/220276809.db2.gz VEEDXJYRQYAEPD-GOSISDBHSA-N 1 0 374.488 3.853 40 0 FHABRO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 ZINC000019690301 220285973 /nfs/dbraw/zinc/28/59/73/220285973.db2.gz DXGFALVDJLHHTH-IBGZPJMESA-N 1 0 364.468 3.925 40 0 FHABRO CC1(NC(=O)c2ccc([C@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)CCC1 ZINC000019705791 220286084 /nfs/dbraw/zinc/28/60/84/220286084.db2.gz PQABGEBZENLLDO-SFHVURJKSA-N 1 0 364.493 3.529 40 0 FHABRO Cc1ccc(-c2ncc(C[N@@H+]3CC[C@](O)(c4ccc(C)cc4)C3)cn2)cc1 ZINC000019715868 220290154 /nfs/dbraw/zinc/29/01/54/220290154.db2.gz HJQMBKGHCWUHRH-HSZRJFAPSA-N 1 0 359.473 3.854 40 0 FHABRO COCc1ccccc1CNC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748776 220293688 /nfs/dbraw/zinc/29/36/88/220293688.db2.gz LEVFUVYFWMAKHE-UHFFFAOYSA-N 1 0 358.526 3.884 40 0 FHABRO Cn1cc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c2ccccc21 ZINC000049169714 221020343 /nfs/dbraw/zinc/02/03/43/221020343.db2.gz DIAOIUAALVNZJV-INIZCTEOSA-N 1 0 359.433 3.613 40 0 biogenic,in-vitro FHABRO Cn1cc(C[NH2+][C@@H]2CC3(CCN(c4cccnc4)CC3)c3ccccc32)cn1 ZINC000096079019 132218446 /nfs/dbraw/zinc/21/84/46/132218446.db2.gz VRJBLGSGVDSUKJ-JOCHJYFZSA-N 1 0 373.504 3.588 40 0 FHABRO Cc1ccc(CCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000096621653 132225613 /nfs/dbraw/zinc/22/56/13/132225613.db2.gz BWTNIKHBTXGOSZ-UHFFFAOYSA-N 1 0 351.494 3.627 40 0 FHABRO Fc1ccccc1C[NH+]1CCC2(C[C@H](OCc3ccncc3)CO2)CC1 ZINC000096106850 222025209 /nfs/dbraw/zinc/02/52/09/222025209.db2.gz YNHHZALEBQMHEZ-IBGZPJMESA-N 1 0 356.441 3.561 40 0 FHABRO Cc1ccsc1C[N@@H+]1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 ZINC000096107284 222026591 /nfs/dbraw/zinc/02/65/91/222026591.db2.gz IBQXRDRLFDGEFY-QUCCMNQESA-N 1 0 358.507 3.792 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](CC3CC3)CC2)c2ccccc21)NC1CCC1 ZINC000096052788 222002414 /nfs/dbraw/zinc/00/24/14/222002414.db2.gz RYGIFRYXAFCIPU-SFHVURJKSA-N 1 0 352.522 3.976 40 0 FHABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21)NC1CC1 ZINC000096052968 222003491 /nfs/dbraw/zinc/00/34/91/222003491.db2.gz WWACETQFRBWYTC-KRWDZBQOSA-N 1 0 364.489 3.969 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C)n2)s1 ZINC000096056636 222005637 /nfs/dbraw/zinc/00/56/37/222005637.db2.gz HEUVXGGETZFSNN-RTBURBONSA-N 1 0 355.507 3.525 40 0 FHABRO Cc1nc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)cs1 ZINC000096071605 222012306 /nfs/dbraw/zinc/01/23/06/222012306.db2.gz ACZLNFRDGIGIFB-HXUWFJFHSA-N 1 0 356.539 3.643 40 0 FHABRO CC(=O)N1CCC2(CC1)C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1O2 ZINC000096079709 222015865 /nfs/dbraw/zinc/01/58/65/222015865.db2.gz LOLYXKQYFQZMGM-GOSISDBHSA-N 1 0 356.491 3.743 40 0 FHABRO CN(C)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096161226 222061430 /nfs/dbraw/zinc/06/14/30/222061430.db2.gz HZBRGOCUZVKNTI-SFHVURJKSA-N 1 0 352.478 3.779 40 0 FHABRO Cc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)c(C)o1 ZINC000096216204 222082129 /nfs/dbraw/zinc/08/21/29/222082129.db2.gz DXCBLYVVOFCGSC-JOCHJYFZSA-N 1 0 367.493 3.728 40 0 FHABRO c1csc(C[NH+]2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)c1 ZINC000096218278 222082291 /nfs/dbraw/zinc/08/22/91/222082291.db2.gz JYSIJIQRSYMJDE-SFHVURJKSA-N 1 0 358.507 3.731 40 0 FHABRO C[NH+](C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2ccccc2)CC1 ZINC000100750194 222251535 /nfs/dbraw/zinc/25/15/35/222251535.db2.gz JRDPLIJOZOLNLR-MZKRTTBSSA-N 1 0 365.521 3.850 40 0 FHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@@H](C)c3cccs3)cc12 ZINC000012186435 263369816 /nfs/dbraw/zinc/36/98/16/263369816.db2.gz SMFUTYDVCQQXJQ-AWEZNQCLSA-N 1 0 364.474 3.935 40 0 FHABRO Cc1noc(C)c1C(=O)N1[C@@H](c2ccccc2)C[C@H]2[C@H]1CCCC[N@H+]2C ZINC000257248328 534321154 /nfs/dbraw/zinc/32/11/54/534321154.db2.gz JDDLOALAAAZYKI-QRVBRYPASA-N 1 0 353.466 3.732 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)c1 ZINC000306128578 534518207 /nfs/dbraw/zinc/51/82/07/534518207.db2.gz HFGSMJNXFIVKMJ-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCC[N@@H+]1CCCC[C@@H]1CC ZINC000020110148 523052724 /nfs/dbraw/zinc/05/27/24/523052724.db2.gz IFJFHGQVMURPJP-FXAWDEMLSA-N 1 0 362.514 3.623 40 0 FHABRO O=C(Cc1ccsc1)N1CCC[C@@H]1c1cccc(C[NH+]2CCCC2)n1 ZINC000257334489 534737613 /nfs/dbraw/zinc/73/76/13/534737613.db2.gz YGEDJUUGJLUFRZ-LJQANCHMSA-N 1 0 355.507 3.645 40 0 FHABRO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000020451423 527371701 /nfs/dbraw/zinc/37/17/01/527371701.db2.gz VTZFHRJVLUGXHO-UHFFFAOYSA-N 1 0 374.488 3.707 40 0 FHABRO Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]CC(C)C)n1 ZINC000035415859 560081401 /nfs/dbraw/zinc/08/14/01/560081401.db2.gz YJZBVBKNCBWRDO-KSZLIROESA-N 1 0 370.566 3.937 40 0 biogenic,in-vitro FHABRO C[NH+](C)CCN1C(=O)CC[C@]2(C)C1=CC[C@H]1[C@H]3CC[C@@](C)(O)[C@]3(C)CC[C@@H]12 ZINC000004705795 560199722 /nfs/dbraw/zinc/19/97/22/560199722.db2.gz TZYDTPVLMWSHME-KDLOKWSHSA-N 1 0 374.569 3.658 40 0 in-vitro FHABRO CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216205302 568112296 /nfs/dbraw/zinc/11/22/96/568112296.db2.gz WRJRCZGDIAPEDI-QWFCFKBJSA-N 1 0 360.542 3.945 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CSCc2ccc(F)cc2)C1 ZINC000216327295 568118167 /nfs/dbraw/zinc/11/81/67/568118167.db2.gz ANLIQVCKOXPDIN-HOTGVXAUSA-N 1 0 352.519 3.543 40 0 FHABRO COc1ccc([C@H]2CC(N)=[NH+]N2c2ccc(C(F)(F)F)cc2)cc1OC ZINC000222549617 568538392 /nfs/dbraw/zinc/53/83/92/568538392.db2.gz HCMWYCNDWQRGDJ-CQSZACIVSA-N 1 0 365.355 3.946 40 0 FHABRO c1coc(C[NH+]2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)c1 ZINC000096038240 570472717 /nfs/dbraw/zinc/47/27/17/570472717.db2.gz JANYDGDMJUEDJQ-UHFFFAOYSA-N 1 0 359.433 3.764 40 0 FHABRO c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)cs1 ZINC000096040175 570472906 /nfs/dbraw/zinc/47/29/06/570472906.db2.gz ZUGYZQHBLMXGKS-WOJBJXKFSA-N 1 0 358.507 3.731 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3cccnc3)CC2)N1Cc1cccc(F)c1 ZINC000096047558 570473710 /nfs/dbraw/zinc/47/37/10/570473710.db2.gz LTSNXKOTWVRVBM-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 ZINC000096047536 570473721 /nfs/dbraw/zinc/47/37/21/570473721.db2.gz YXAAGUPRVYGFPN-OAQYLSRUSA-N 1 0 369.534 3.999 40 0 FHABRO Cc1cccc(CN2CC[C@]3(CCC[N@H+](Cc4ccc(F)cc4)C3)C2=O)n1 ZINC000096048796 570474387 /nfs/dbraw/zinc/47/43/87/570474387.db2.gz UHMVGFGCPGDLFV-QFIPXVFZSA-N 1 0 367.468 3.544 40 0 FHABRO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4cnn(C)c4)C3)n2)s1 ZINC000585262559 570481484 /nfs/dbraw/zinc/48/14/84/570481484.db2.gz FFSCTAMYSNGRSE-INIZCTEOSA-N 1 0 368.510 3.703 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2ccccc2F)[C@@H]1Cc1ccc(C)cc1 ZINC000585283949 570493614 /nfs/dbraw/zinc/49/36/14/570493614.db2.gz DLBWQDJBWAXVMH-GOTSBHOMSA-N 1 0 368.496 3.888 40 0 FHABRO CC(C)(C)[C@H]1CC[C@H]([N@@H+]2CCOC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585284948 570494000 /nfs/dbraw/zinc/49/40/00/570494000.db2.gz BDJMGZJZTDKMJL-IPJJNNNSSA-N 1 0 361.526 3.734 40 0 FHABRO CCCC(CCC)[N@@H+]1CCOC[C@](O)(COc2ccc(Cl)cc2)C1 ZINC000585284618 570494270 /nfs/dbraw/zinc/49/42/70/570494270.db2.gz YWIUUMGPYMDASY-IBGZPJMESA-N 1 0 355.906 3.751 40 0 FHABRO FC(F)(F)c1nc(-c2ccc([C@H]3CCC[N@H+](CC4CC4)C3)nc2)no1 ZINC000585289092 570495175 /nfs/dbraw/zinc/49/51/75/570495175.db2.gz DLPBLBHCTIYDCY-ZDUSSCGKSA-N 1 0 352.360 3.740 40 0 FHABRO O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000585289965 570495553 /nfs/dbraw/zinc/49/55/53/570495553.db2.gz OXWPBDIXZPOORN-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO CCOc1cc2ccc(OCc3ccccc3)nc2c(NCCC[NH3+])c1 ZINC000001717100 570505468 /nfs/dbraw/zinc/50/54/68/570505468.db2.gz DNHXSDFGIRBMNG-UHFFFAOYSA-N 1 0 351.450 3.973 40 0 FHABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216402 570533350 /nfs/dbraw/zinc/53/33/50/570533350.db2.gz YSSHLLJSJYFFPZ-SFHVURJKSA-N 1 0 374.529 3.684 40 0 FHABRO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cnc1N1CCOCC1 ZINC000072219366 570534551 /nfs/dbraw/zinc/53/45/51/570534551.db2.gz XTKDACQDOJWGEJ-NRFANRHFSA-N 1 0 351.494 3.954 40 0 FHABRO COc1cc2cccnc2c(NC[C@@](C)(O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000004522440 570595207 /nfs/dbraw/zinc/59/52/07/570595207.db2.gz RDWVATZAASWVFR-WHSLLNHNSA-N 1 0 357.498 3.527 40 0 FHABRO CCCC[N@H+](C[C@@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000004522424 570595220 /nfs/dbraw/zinc/59/52/20/570595220.db2.gz RVIXLFBINVXPGJ-WMZOPIPTSA-N 1 0 359.514 3.917 40 0 FHABRO C[NH+](C)CCNc1nc(Nc2ccc(F)cc2)cc(-c2ccccc2)n1 ZINC000243861384 570610299 /nfs/dbraw/zinc/61/02/99/570610299.db2.gz RJJYCKIRJVONAK-UHFFFAOYSA-N 1 0 351.429 4.000 40 0 FHABRO Cc1cc2nc(C3CC[NH+](CC(=O)N4CCC[C@@H](C)C4)CC3)[nH]c2cc1C ZINC000035292239 570638354 /nfs/dbraw/zinc/63/83/54/570638354.db2.gz JGZMVDRENKPYBT-OAHLLOKOSA-N 1 0 368.525 3.618 40 0 FHABRO COc1cccc(C[NH2+]CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1 ZINC000035311471 570641362 /nfs/dbraw/zinc/64/13/62/570641362.db2.gz FYBSXZSGOAWOGQ-UHFFFAOYSA-N 1 0 367.493 3.804 40 0 FHABRO CCOc1ccc2c(c1)c(C(=O)NC(C)(C)C[NH+]1CCCCC1)c(C)n2C ZINC000035316961 570642221 /nfs/dbraw/zinc/64/22/21/570642221.db2.gz XTMSQXYEYYPJRG-UHFFFAOYSA-N 1 0 371.525 3.880 40 0 FHABRO COc1c(Br)cc(Br)cc1C[NH2+]CC(C)C ZINC000006883550 570656135 /nfs/dbraw/zinc/65/61/35/570656135.db2.gz WMIJDHYACNAUGL-UHFFFAOYSA-N 1 0 351.082 3.966 40 0 FHABRO CSc1sc(-c2ccccc2)c2[nH]c(=O)c(-c3ccccc3)n[n+]21 ZINC000004135754 570665105 /nfs/dbraw/zinc/66/51/05/570665105.db2.gz GVVWPTCEDORDDC-UHFFFAOYSA-O 1 0 352.464 3.626 40 0 FHABRO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000004325758 570666778 /nfs/dbraw/zinc/66/67/78/570666778.db2.gz SUTXCIMFRCHMFF-GJYPPUQNSA-N 1 0 356.466 3.659 40 0 FHABRO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Br)c1OCC ZINC000008253845 570678968 /nfs/dbraw/zinc/67/89/68/570678968.db2.gz HBLPSXISPJPACF-CYBMUJFWSA-N 1 0 358.276 3.515 40 0 FHABRO C[C@H]1Cc2cc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)ccc2O1 ZINC000012135209 570721225 /nfs/dbraw/zinc/72/12/25/570721225.db2.gz GTPPEZDUZPHZMZ-SRSMGXFPSA-N 1 0 364.489 3.525 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000012256672 570731444 /nfs/dbraw/zinc/73/14/44/570731444.db2.gz WYKHNBKYDAKDCP-LJQANCHMSA-N 1 0 360.461 3.666 40 0 FHABRO CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CC[NH+](CC)CC1 ZINC000012274952 570731918 /nfs/dbraw/zinc/73/19/18/570731918.db2.gz NJLDLLYQPCUWJF-UHFFFAOYSA-N 1 0 356.466 3.858 40 0 FHABRO CC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCC(C(C)(C)C)CC3)ccc21 ZINC000012291254 570732338 /nfs/dbraw/zinc/73/23/38/570732338.db2.gz XJZKVLDHCCDACP-NRFANRHFSA-N 1 0 358.526 3.777 40 0 FHABRO CC1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C2CCCC2)CC1 ZINC000012291632 570732383 /nfs/dbraw/zinc/73/23/83/570732383.db2.gz YMEVBUCKZCOLIR-JOCHJYFZSA-N 1 0 370.537 3.921 40 0 FHABRO CC1CC[NH+](C[C@@H](O)c2ccc3c(c2)CCCN3C(=O)C(C)(C)C)CC1 ZINC000012326749 570736894 /nfs/dbraw/zinc/73/68/94/570736894.db2.gz STTTVKVONMZWIJ-HXUWFJFHSA-N 1 0 358.526 3.777 40 0 FHABRO Cc1ccc(-n2cc(C[NH+]3CCC(O)(c4cccc(C)c4)CC3)cn2)cc1 ZINC000012344544 570738193 /nfs/dbraw/zinc/73/81/93/570738193.db2.gz AEGYVLABIVIQMF-UHFFFAOYSA-N 1 0 361.489 3.973 40 0 FHABRO CCOCc1cc(C[NH+]2CCC(O)(c3ccccc3F)CC2)ccc1OC ZINC000012363516 570738632 /nfs/dbraw/zinc/73/86/32/570738632.db2.gz LCNIAWMMIDZVTB-UHFFFAOYSA-N 1 0 373.468 3.854 40 0 FHABRO CCOc1cc(C[N@@H+]2CCc3sccc3[C@H]2CC)ccc1OCC(N)=O ZINC000012364221 570738708 /nfs/dbraw/zinc/73/87/08/570738708.db2.gz MCJVLNQHAYPOOD-MRXNPFEDSA-N 1 0 374.506 3.520 40 0 FHABRO Cc1nc(NC(=[NH2+])Nc2cccc(Cl)c2)[nH]c(=O)c1Cc1ccccc1 ZINC000009287041 570798603 /nfs/dbraw/zinc/79/86/03/570798603.db2.gz ZOQZEUHSHFEMMN-UHFFFAOYSA-N 1 0 367.840 3.781 40 0 FHABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000040373367 570842326 /nfs/dbraw/zinc/84/23/26/570842326.db2.gz JNKGYBZKGHMWNG-GHTZIAJQSA-N 1 0 357.494 3.917 40 0 FHABRO C(/C=C/[NH+]1CCN(c2ccccc2)CC1)=C\N1CCN(c2ccccc2)CC1 ZINC000017721325 570873668 /nfs/dbraw/zinc/87/36/68/570873668.db2.gz MHXRSOOLNSFARD-FNCQTZNRSA-N 1 0 374.532 3.658 40 0 FHABRO CCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000224094681 570976980 /nfs/dbraw/zinc/97/69/80/570976980.db2.gz JUNDNOQPQRARAC-UHFFFAOYSA-N 1 0 352.478 3.654 40 0 FHABRO COc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224536735 570992838 /nfs/dbraw/zinc/99/28/38/570992838.db2.gz OUKPERBZTQDZRD-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO Cc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000224626519 570995163 /nfs/dbraw/zinc/99/51/63/570995163.db2.gz NKSSZNRKBABUQB-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224626734 570995544 /nfs/dbraw/zinc/99/55/44/570995544.db2.gz LEBKHBGGADMFCO-IBGZPJMESA-N 1 0 366.505 3.983 40 0 FHABRO CCc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224675682 570996974 /nfs/dbraw/zinc/99/69/74/570996974.db2.gz IIKASMQGZPXUDV-UHFFFAOYSA-N 1 0 366.505 3.930 40 0 FHABRO Cc1cccc(CS(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224672116 570996983 /nfs/dbraw/zinc/99/69/83/570996983.db2.gz HCUGUGKIBJFZEE-UHFFFAOYSA-N 1 0 372.534 3.601 40 0 FHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000224862174 571003251 /nfs/dbraw/zinc/00/32/51/571003251.db2.gz XXEVKVUQKXWEQX-GOSISDBHSA-N 1 0 358.526 3.571 40 0 FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224979366 571008365 /nfs/dbraw/zinc/00/83/65/571008365.db2.gz IWRPOGDZLVBZHH-KDURUIRLSA-N 1 0 350.506 3.990 40 0 FHABRO CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000224989132 571009328 /nfs/dbraw/zinc/00/93/28/571009328.db2.gz RGVNECGNBAREEF-UHFFFAOYSA-N 1 0 352.906 3.880 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCNC(=O)c2cc(Br)ccc2Cl)C1 ZINC000225074016 571013680 /nfs/dbraw/zinc/01/36/80/571013680.db2.gz MXLBEOPANJWELN-RYUDHWBXSA-N 1 0 373.722 3.810 40 0 FHABRO Cc1ccc(NC(=S)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1C ZINC000225210026 571022210 /nfs/dbraw/zinc/02/22/10/571022210.db2.gz CRJFAOFDXUHBIF-UHFFFAOYSA-N 1 0 365.546 3.785 40 0 FHABRO Cc1cccc(NC(=S)NC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000225212951 571022597 /nfs/dbraw/zinc/02/25/97/571022597.db2.gz LOMKDHUKJSYTFZ-UHFFFAOYSA-N 1 0 367.946 3.578 40 0 FHABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000039766623 571023468 /nfs/dbraw/zinc/02/34/68/571023468.db2.gz PUIQSMWEYOYGHB-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO COc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1Cl ZINC000225322236 571028071 /nfs/dbraw/zinc/02/80/71/571028071.db2.gz GQAHAIZUTGCCRX-UHFFFAOYSA-N 1 0 358.869 3.527 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 ZINC000225589743 571047635 /nfs/dbraw/zinc/04/76/35/571047635.db2.gz BXLKFVJNVXLRLJ-UHFFFAOYSA-N 1 0 353.677 3.716 40 0 FHABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225606444 571048941 /nfs/dbraw/zinc/04/89/41/571048941.db2.gz HLRJJZQWAICZIO-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225606472 571048970 /nfs/dbraw/zinc/04/89/70/571048970.db2.gz HLRJJZQWAICZIO-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000030867633 571051907 /nfs/dbraw/zinc/05/19/07/571051907.db2.gz SABPNMJUZZHYGV-JFIYKMOQSA-N 1 0 366.933 3.982 40 0 FHABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030946128 571053458 /nfs/dbraw/zinc/05/34/58/571053458.db2.gz ZNIWWLJFSFKPMR-IBGZPJMESA-N 1 0 370.468 3.705 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463071 571057803 /nfs/dbraw/zinc/05/78/03/571057803.db2.gz QSSQQQQHWJGBAL-MRXNPFEDSA-N 1 0 356.441 3.505 40 0 FHABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1Br ZINC000032461882 571057820 /nfs/dbraw/zinc/05/78/20/571057820.db2.gz CEYKYXZZWBGBAM-UHFFFAOYSA-N 1 0 373.294 3.975 40 0 FHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+](CC)CC)cc1)C1CC1 ZINC000225723872 571059629 /nfs/dbraw/zinc/05/96/29/571059629.db2.gz HFNUSWNSHUHARZ-OAQYLSRUSA-N 1 0 362.514 3.941 40 0 FHABRO CCc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225742660 571061137 /nfs/dbraw/zinc/06/11/37/571061137.db2.gz UCWJTZPWBOOYCB-UHFFFAOYSA-N 1 0 353.535 3.984 40 0 FHABRO C[C@@H]1CCC[N@H+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)C1 ZINC000226170668 571076444 /nfs/dbraw/zinc/07/64/44/571076444.db2.gz XNXJVORMCRDQEW-DENIHFKCSA-N 1 0 353.506 3.928 40 0 FHABRO CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccc(Br)cc2)CC1 ZINC000079033378 571090199 /nfs/dbraw/zinc/09/01/99/571090199.db2.gz IWQWLZYFXMTXAF-UHFFFAOYSA-N 1 0 369.303 3.677 40 0 FHABRO CCn1nc(C)c(C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)c1C ZINC000043277721 571100191 /nfs/dbraw/zinc/10/01/91/571100191.db2.gz GYAOCHAUMZTYDQ-UHFFFAOYSA-N 1 0 369.488 3.948 40 0 FHABRO Cc1ccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c(C)c1 ZINC000044222101 571101429 /nfs/dbraw/zinc/10/14/29/571101429.db2.gz KNOJHLIPDDRPJR-UHFFFAOYSA-N 1 0 354.523 3.649 40 0 FHABRO Cc1cc(C)cc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000044222119 571101504 /nfs/dbraw/zinc/10/15/04/571101504.db2.gz SJKGIINTQAOKPO-UHFFFAOYSA-N 1 0 354.523 3.649 40 0 FHABRO COc1ccc(S[C@H](C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000044847799 571102845 /nfs/dbraw/zinc/10/28/45/571102845.db2.gz QGLPVVUUDCRGQV-BRWVUGGUSA-N 1 0 364.555 3.660 40 0 FHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@H]2CC)cc1OCC ZINC000260842708 571124364 /nfs/dbraw/zinc/12/43/64/571124364.db2.gz RSTHJPPXVXRGFJ-GOSISDBHSA-N 1 0 362.514 3.868 40 0 FHABRO Fc1cccnc1OCC[C@H]1CCOC12CC[NH+](Cc1ccoc1)CC2 ZINC000247518332 571125568 /nfs/dbraw/zinc/12/55/68/571125568.db2.gz KORGUVCSUMMEOB-KRWDZBQOSA-N 1 0 360.429 3.654 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COc3ccccn3)C2)cc1 ZINC000247883784 571126092 /nfs/dbraw/zinc/12/60/92/571126092.db2.gz KDSCUESDDWYUPH-UNMCSNQZSA-N 1 0 368.477 3.540 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)o1 ZINC000248122160 571127809 /nfs/dbraw/zinc/12/78/09/571127809.db2.gz VMXWFGDFSHZRGR-SFTDATJTSA-N 1 0 356.466 3.571 40 0 FHABRO O=C(NCC[NH+]1CCCCCC1)c1cc(Br)ccc1Cl ZINC000040433057 571145509 /nfs/dbraw/zinc/14/55/09/571145509.db2.gz FBUXJMLJYSUWTO-UHFFFAOYSA-N 1 0 359.695 3.708 40 0 FHABRO CCc1nccn1-c1nccnc1[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072350544 571181733 /nfs/dbraw/zinc/18/17/33/571181733.db2.gz CZRIIIKNHOJOKC-LJQANCHMSA-N 1 0 361.493 3.647 40 0 FHABRO O=C(C1CCCCC1)N1CC[N@@H+](C2CCCC2)C[C@H](Cc2ccccn2)C1 ZINC000072355088 571182264 /nfs/dbraw/zinc/18/22/64/571182264.db2.gz QSXQGFZNWAWDOM-IBGZPJMESA-N 1 0 369.553 3.907 40 0 FHABRO COCC[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000072359357 571183875 /nfs/dbraw/zinc/18/38/75/571183875.db2.gz GILIXOPGWGDSNU-UHFFFAOYSA-N 1 0 365.399 3.988 40 0 FHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4OC)C3)n2)c1 ZINC000072369878 571185033 /nfs/dbraw/zinc/18/50/33/571185033.db2.gz ALDXGPHIUFUNHG-KRWDZBQOSA-N 1 0 365.433 3.743 40 0 FHABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3Cc3ccnn3C)c2)s1 ZINC000072372603 571185383 /nfs/dbraw/zinc/18/53/83/571185383.db2.gz JIYHBEFATVXGIY-GOSISDBHSA-N 1 0 368.510 3.969 40 0 FHABRO Cc1cccnc1Nc1ccc(C2CC[NH+](Cc3ccnn3C)CC2)nc1 ZINC000072374256 571185444 /nfs/dbraw/zinc/18/54/44/571185444.db2.gz PARJNHCPEFDROU-UHFFFAOYSA-N 1 0 362.481 3.642 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncccc2C)n1 ZINC000072375348 571185700 /nfs/dbraw/zinc/18/57/00/571185700.db2.gz PGUSQXUEUACNAT-LJQANCHMSA-N 1 0 362.481 3.908 40 0 FHABRO Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000072390419 571189956 /nfs/dbraw/zinc/18/99/56/571189956.db2.gz WUTXIZZJCLRCEZ-HRAATJIYSA-N 1 0 368.525 3.611 40 0 FHABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@H+](CC2CC2)C1 ZINC000072391299 571189989 /nfs/dbraw/zinc/18/99/89/571189989.db2.gz NPGMUACQQZFRBA-QHCPKHFHSA-N 1 0 363.505 3.529 40 0 FHABRO Cc1ccc([C@]2(O)CC[C@H]3C[N@H+](Cc4cccc5cccnc54)C[C@H]32)nc1 ZINC000072392559 571190305 /nfs/dbraw/zinc/19/03/05/571190305.db2.gz OXSYIRJHSHIRLW-NOXFTYBFSA-N 1 0 359.473 3.668 40 0 FHABRO Cc1ccc(CC(=O)N[C@@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000257231941 571203784 /nfs/dbraw/zinc/20/37/84/571203784.db2.gz GIUFFZPTHDNBES-WOIUINJBSA-N 1 0 351.494 3.555 40 0 FHABRO Cc1ncsc1C[N@H+]1Cc2cccn2C[C@H](CCNc2ccccn2)C1 ZINC000585095064 571219653 /nfs/dbraw/zinc/21/96/53/571219653.db2.gz CKCAUVRHKAUTPM-QGZVFWFLSA-N 1 0 367.522 3.782 40 0 FHABRO Cc1cccc(C[N@H+]2Cc3cccn3C[C@H](CCNc3ccccn3)C2)n1 ZINC000585095542 571220351 /nfs/dbraw/zinc/22/03/51/571220351.db2.gz VVJLVDKMOAPTJK-LJQANCHMSA-N 1 0 361.493 3.721 40 0 FHABRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000585100291 571221282 /nfs/dbraw/zinc/22/12/82/571221282.db2.gz JUEBDCDWFSSSRP-IBGZPJMESA-N 1 0 368.880 3.586 40 0 FHABRO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 ZINC000585100245 571221487 /nfs/dbraw/zinc/22/14/87/571221487.db2.gz IVNXTJOCBLVYSQ-FQEVSTJZSA-N 1 0 357.454 3.545 40 0 FHABRO O=C1CC[C@]2(CCC[N@@H+](CC3CC(F)(F)C3)CC2)N1Cc1cncs1 ZINC000585100722 571221720 /nfs/dbraw/zinc/22/17/20/571221720.db2.gz USFUSGJWYRTPSX-KRWDZBQOSA-N 1 0 369.481 3.536 40 0 FHABRO Cc1ccc2ncc(C[NH+]3CCC4(CC(NC(=O)OC(C)C)C4)CC3)n2c1 ZINC000585102715 571222983 /nfs/dbraw/zinc/22/29/83/571222983.db2.gz BNUKNIXWJWBEBW-UHFFFAOYSA-N 1 0 370.497 3.522 40 0 FHABRO C[C@@H](c1ccccc1)[N@@H+]1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104206 571222996 /nfs/dbraw/zinc/22/29/96/571222996.db2.gz KVOGVFDFGQFHAG-HTAPYJJXSA-N 1 0 368.452 3.642 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)cs1 ZINC000585105494 571223719 /nfs/dbraw/zinc/22/37/19/571223719.db2.gz XWLNXCMUXLROPT-SFHVURJKSA-N 1 0 358.507 3.983 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 ZINC000585104430 571223957 /nfs/dbraw/zinc/22/39/57/571223957.db2.gz IKXFCYPEFVZUKK-HXUWFJFHSA-N 1 0 359.510 3.883 40 0 FHABRO COc1ccc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)cc1 ZINC000585105065 571224229 /nfs/dbraw/zinc/22/42/29/571224229.db2.gz ONXIKGBEJITSBC-HXUWFJFHSA-N 1 0 370.518 3.675 40 0 FHABRO COc1ccccc1-c1cccc(C[C@]2(C(=O)N3CCCC3)CC[NH2+]C2)c1 ZINC000585166825 571237146 /nfs/dbraw/zinc/23/71/46/571237146.db2.gz CZICHAGTZHDXFP-HSZRJFAPSA-N 1 0 364.489 3.507 40 0 FHABRO c1c[nH]c(-c2cc(C[C@@H]3CCC[N@H+](Cc4ccc5cc[nH]c5c4)C3)ncn2)n1 ZINC000585182531 571238188 /nfs/dbraw/zinc/23/81/88/571238188.db2.gz FJYXYLDXQSVDRH-INIZCTEOSA-N 1 0 372.476 3.803 40 0 FHABRO C[NH+](C)Cc1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)ccn1 ZINC000585182244 571238335 /nfs/dbraw/zinc/23/83/35/571238335.db2.gz CSRMBCCQYPCKRA-QGZVFWFLSA-N 1 0 355.507 3.671 40 0 FHABRO c1c[nH]c(-c2nccnc2C2CC[NH+](Cc3cccc4[nH]ccc43)CC2)n1 ZINC000585182566 571238435 /nfs/dbraw/zinc/23/84/35/571238435.db2.gz RYWCBFZNQHEKHO-UHFFFAOYSA-N 1 0 358.449 3.728 40 0 FHABRO CCOC(=O)NCC1(c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000004804442 571271080 /nfs/dbraw/zinc/27/10/80/571271080.db2.gz DDOMFXWZSMHVEA-UHFFFAOYSA-N 1 0 352.478 3.967 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000083264808 571278005 /nfs/dbraw/zinc/27/80/05/571278005.db2.gz CQAFCJUKRLQFIK-HNNXBMFYSA-N 1 0 369.303 3.938 40 0 FHABRO Clc1ccc(Nc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1Cl ZINC000228935740 571278214 /nfs/dbraw/zinc/27/82/14/571278214.db2.gz ZFRWPAXEWHWZEL-UHFFFAOYSA-N 1 0 363.252 3.801 40 0 FHABRO CCCn1ncc(C[N@@H+]2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247853072 571290874 /nfs/dbraw/zinc/29/08/74/571290874.db2.gz WQBSKAJHYXKTIA-BULFRSBZSA-N 1 0 371.500 3.860 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cc1 ZINC000247877557 571290918 /nfs/dbraw/zinc/29/09/18/571290918.db2.gz HPMXDWWNRHTGIO-HARLFGEKSA-N 1 0 367.489 3.824 40 0 FHABRO COc1cccc(C[N@@H+]2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)c1 ZINC000248186526 571291301 /nfs/dbraw/zinc/29/13/01/571291301.db2.gz HYMIIRVRJSDLIF-HARLFGEKSA-N 1 0 367.489 3.824 40 0 FHABRO COC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062880 571302409 /nfs/dbraw/zinc/30/24/09/571302409.db2.gz GYLMHHODTSTSBB-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO CC(=O)Nc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000009063046 571302525 /nfs/dbraw/zinc/30/25/25/571302525.db2.gz HEXJWVLPWFSTHX-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)C[N@H+]2Cc1cccc(F)c1F ZINC000019712596 571304591 /nfs/dbraw/zinc/30/45/91/571304591.db2.gz XBNOEHWWQUCIAS-KPLVRAHFSA-N 1 0 370.443 3.992 40 0 FHABRO CC[NH+](CC)CCNc1nc(Cl)nc(Nc2cccc(Cl)c2)n1 ZINC000199799915 222624139 /nfs/dbraw/zinc/62/41/39/222624139.db2.gz PWIROHXYEGGIHT-UHFFFAOYSA-N 1 0 355.273 3.676 40 0 FHABRO C[NH+]1CCC(Cc2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 ZINC000257314451 530049629 /nfs/dbraw/zinc/04/96/29/530049629.db2.gz UXAIXYQBRLBFEK-FQEVSTJZSA-N 1 0 365.477 3.534 40 0 FHABRO O=C(Cc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224637571 222816774 /nfs/dbraw/zinc/81/67/74/222816774.db2.gz CWSJCWOPWCMVHB-UHFFFAOYSA-N 1 0 360.860 3.934 40 0 FHABRO C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000224862217 222821586 /nfs/dbraw/zinc/82/15/86/222821586.db2.gz XXEVKVUQKXWEQX-SFHVURJKSA-N 1 0 358.526 3.571 40 0 FHABRO Cc1csc(Nc2cccc(CC3CC[NH+]([C@H](C)CCO)CC3)n2)n1 ZINC000257201443 223016965 /nfs/dbraw/zinc/01/69/65/223016965.db2.gz AHSMMUDTDNNEHW-OAHLLOKOSA-N 1 0 360.527 3.616 40 0 FHABRO Cc1c[nH]c(-c2nccnc2[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)n1 ZINC000257254355 223038238 /nfs/dbraw/zinc/03/82/38/223038238.db2.gz KCRUKJSUGXUECT-MRXNPFEDSA-N 1 0 351.429 3.694 40 0 FHABRO Fc1ccccc1C[NH+]1CCC(c2cncc(Nc3ncccn3)n2)CC1 ZINC000257257874 223040067 /nfs/dbraw/zinc/04/00/67/223040067.db2.gz KRKYAIQJCLUXBL-UHFFFAOYSA-N 1 0 364.428 3.529 40 0 FHABRO COc1ccc(C[NH+]2CCC(CCc3ccnc(NC(C)=O)c3)CC2)cc1 ZINC000257287928 223050620 /nfs/dbraw/zinc/05/06/20/223050620.db2.gz PSBOJDOGQLTLSZ-UHFFFAOYSA-N 1 0 367.493 3.893 40 0 FHABRO C[C@@]1(c2ncc(Cc3ccccc3F)o2)CCC[N@H+](Cc2cnccn2)C1 ZINC000257288905 223052620 /nfs/dbraw/zinc/05/26/20/223052620.db2.gz PWDYDRDACASADI-OAQYLSRUSA-N 1 0 366.440 3.748 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257316683 223063683 /nfs/dbraw/zinc/06/36/83/223063683.db2.gz VGNYXBRLOJJHIJ-QGZVFWFLSA-N 1 0 366.534 3.606 40 0 FHABRO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000007447870 219806380 /nfs/dbraw/zinc/80/63/80/219806380.db2.gz UEWFOXUIGQVJCA-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1noc(C)c1-c1cc(C2CC[NH+](Cc3cnc(C)cn3)CC2)ccn1 ZINC000257334645 223069405 /nfs/dbraw/zinc/06/94/05/223069405.db2.gz YGUMMXYIFQKTJM-UHFFFAOYSA-N 1 0 363.465 3.831 40 0 FHABRO Cc1cccc(C[NH+]2CCC(c3cncc(Nc4ncccn4)n3)CC2)c1 ZINC000257328553 223066704 /nfs/dbraw/zinc/06/67/04/223066704.db2.gz XGDZOZGKCXMKKO-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccccc3OCc3ccccn3)C2)n1 ZINC000257327207 223067261 /nfs/dbraw/zinc/06/72/61/223067261.db2.gz XALYNQPNANNIGQ-IBGZPJMESA-N 1 0 360.461 3.749 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@H]2C[N@@H+](Cc4cccs4)C[C@H]2C3)cc1 ZINC000306135169 223109438 /nfs/dbraw/zinc/10/94/38/223109438.db2.gz OJSVPQZBCAVOEE-IAGOWNOFSA-N 1 0 365.502 3.925 40 0 FHABRO c1cc(C[N@@H+]2CC[C@]3(CN(Cc4ccccn4)c4cccnc43)C2)cs1 ZINC000306132372 223109514 /nfs/dbraw/zinc/10/95/14/223109514.db2.gz LGUWBIIHCZYVNQ-OAQYLSRUSA-N 1 0 362.502 3.702 40 0 FHABRO Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)cc1 ZINC000306132421 223109656 /nfs/dbraw/zinc/10/96/56/223109656.db2.gz LIDAXTKCRXMPSD-IBGZPJMESA-N 1 0 373.435 3.920 40 0 FHABRO C[NH+](C)[C@H](CNC(=O)c1cc(C2CCCCC2)no1)c1ccc(F)cc1 ZINC000012198433 219966115 /nfs/dbraw/zinc/96/61/15/219966115.db2.gz SRBXJRXGALSVKF-GOSISDBHSA-N 1 0 359.445 3.894 40 0 FHABRO CCCCc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)Nc2ccccc2)no1 ZINC000015673335 220158680 /nfs/dbraw/zinc/15/86/80/220158680.db2.gz KLQWSYYTMDJNQT-IRXDYDNUSA-N 1 0 355.482 3.814 40 0 biogenic,in-vitro FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019081997 220236165 /nfs/dbraw/zinc/23/61/65/220236165.db2.gz CTSCWYPRJHWGPV-AZUAARDMSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1ccc(CN2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)cc1C ZINC000019213988 220239034 /nfs/dbraw/zinc/23/90/34/220239034.db2.gz XSSUOCDDCMSFKV-OAQYLSRUSA-N 1 0 350.510 3.809 40 0 FHABRO COc1cccc([C@H]2CN(C(=O)c3ccc(C)c(F)c3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019214461 220239542 /nfs/dbraw/zinc/23/95/42/220239542.db2.gz QVPJCPVBMUHMQA-HMXCVIKNSA-N 1 0 368.452 3.503 40 0 FHABRO Cc1cnc(-c2nnc([C@H]3CC[N@@H+](Cc4ccc(C(C)C)cc4)C3)o2)cn1 ZINC000019239177 220243322 /nfs/dbraw/zinc/24/33/22/220243322.db2.gz AWTSEQYHNYKIBH-SFHVURJKSA-N 1 0 363.465 3.948 40 0 FHABRO Clc1ccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1Cl ZINC000019292965 220246575 /nfs/dbraw/zinc/24/65/75/220246575.db2.gz GIHCHPQSFCCAMF-QGZVFWFLSA-N 1 0 363.292 3.766 40 0 FHABRO O=C1CCCC[C@]2(C[N@@H+](Cc3ccccc3)C[C@H]2c2cc(F)cc(F)c2)N1 ZINC000019372612 220252673 /nfs/dbraw/zinc/25/26/73/220252673.db2.gz JZARVLNPGAMFLV-RBBKRZOGSA-N 1 0 370.443 3.993 40 0 FHABRO CCOc1ccc(NC(=O)[C@H]([C@H](C)[NH+]2CCCCC2)N2CCCCC2)cc1 ZINC000019366270 220253993 /nfs/dbraw/zinc/25/39/93/220253993.db2.gz JFEFUMYXQVSUMX-RXVVDRJESA-N 1 0 373.541 3.753 40 0 FHABRO Cc1nn(C[C@@H](C)C(=O)Nc2cccc(C[NH+]3CCCC3)c2)c(C)c1C ZINC000019557005 220271093 /nfs/dbraw/zinc/27/10/93/220271093.db2.gz KIBRCUFPGMSWJY-OAHLLOKOSA-N 1 0 354.498 3.679 40 0 FHABRO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2C[NH+]2CCCCCC2)n1 ZINC000019572891 220275728 /nfs/dbraw/zinc/27/57/28/220275728.db2.gz ZIPBHABVJLPPRW-PMACEKPBSA-N 1 0 360.546 3.708 40 0 FHABRO CNc1cc(C)[nH+]c([C@@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)c1 ZINC000257303955 533047412 /nfs/dbraw/zinc/04/74/12/533047412.db2.gz SJMAREYALDSQIN-CQSZACIVSA-N 1 0 352.413 3.682 40 0 FHABRO Cn1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c2cc(F)ccc21 ZINC000019748504 220293150 /nfs/dbraw/zinc/29/31/50/220293150.db2.gz INGIRQYNAHSDKM-UHFFFAOYSA-N 1 0 357.473 3.542 40 0 FHABRO COC(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022530953 220389667 /nfs/dbraw/zinc/38/96/67/220389667.db2.gz JKSKLVBIWDLNAF-INIZCTEOSA-N 1 0 366.461 3.957 40 0 FHABRO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1cccc(-n2cccn2)c1 ZINC000035322773 220777552 /nfs/dbraw/zinc/77/75/52/220777552.db2.gz LKMQKSJUMKRYOA-UHFFFAOYSA-N 1 0 374.488 3.766 40 0 FHABRO Cc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000046374936 220983134 /nfs/dbraw/zinc/98/31/34/220983134.db2.gz RXFNSUXNZJRQGM-GOSISDBHSA-N 1 0 352.478 3.675 40 0 FHABRO CCOc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1OCC ZINC000059018162 221123933 /nfs/dbraw/zinc/12/39/33/221123933.db2.gz PXMODOBJRDSWGB-IRXDYDNUSA-N 1 0 362.514 3.582 40 0 FHABRO Cc1cc(N2Cc3ccccc3CC2(C)C)nc(N[C@H](CO)C(C)C)[nH+]1 ZINC000328964964 132371725 /nfs/dbraw/zinc/37/17/25/132371725.db2.gz BZOUKGHCTUMJHD-GOSISDBHSA-N 1 0 354.498 3.555 40 0 FHABRO Cc1nc2cc(CC[NH+]3CCN(c4ccccc4Cl)CC3)ccc2[nH]1 ZINC000001678353 132382330 /nfs/dbraw/zinc/38/23/30/132382330.db2.gz KNLJAZCXOSPAHW-UHFFFAOYSA-N 1 0 354.885 3.889 40 0 FHABRO Fc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)cc1 ZINC000096106824 222024737 /nfs/dbraw/zinc/02/47/37/222024737.db2.gz RTNYDLLFFGUHNW-FQEVSTJZSA-N 1 0 356.441 3.561 40 0 FHABRO FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccccc2)COC1 ZINC000096112689 222029987 /nfs/dbraw/zinc/02/99/87/222029987.db2.gz KJVDRPVNKZTTST-HNNXBMFYSA-N 1 0 361.367 3.916 40 0 biogenic,in-vitro FHABRO COc1ccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4ccc(C)s4)C3)C2)cc1 ZINC000096050871 222001448 /nfs/dbraw/zinc/00/14/48/222001448.db2.gz NPRNLZINQNNDCV-FQEVSTJZSA-N 1 0 356.491 3.694 40 0 FHABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053545 222002989 /nfs/dbraw/zinc/00/29/89/222002989.db2.gz NVCSQIJFKRRYOO-IBGZPJMESA-N 1 0 370.537 3.960 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCc4cccnc4)CC[C@H]32)s1 ZINC000096056434 222005047 /nfs/dbraw/zinc/00/50/47/222005047.db2.gz YUYLUMOJRIHOFA-MISYRCLQSA-N 1 0 358.507 3.790 40 0 FHABRO CC(C)C[N@@H+]1Cc2ccccc2C2(CCN(C(=O)c3ccco3)CC2)C1 ZINC000096242534 222096651 /nfs/dbraw/zinc/09/66/51/222096651.db2.gz AFURKHQSHNYZRU-UHFFFAOYSA-N 1 0 352.478 3.925 40 0 FHABRO CCC(=O)N[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)Oc2ccccc21 ZINC000096242825 222099065 /nfs/dbraw/zinc/09/90/65/222099065.db2.gz ISPQBPAYZJICTJ-GOSISDBHSA-N 1 0 354.450 3.664 40 0 FHABRO O=C(CC(F)(F)F)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096157591 222058245 /nfs/dbraw/zinc/05/82/45/222058245.db2.gz DFGUZZSRPYOHDB-UHFFFAOYSA-N 1 0 358.379 3.593 40 0 FHABRO O=C(Cc1cccnc1)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC000096157519 222058822 /nfs/dbraw/zinc/05/88/22/222058822.db2.gz GPQRHQHWMNLKAG-UHFFFAOYSA-N 1 0 355.526 3.519 40 0 FHABRO CCOC[C@H]1CCC2(CCN(C(=O)c3ccccc3)CC2)[N@@H+]1CC1CC1 ZINC000096207498 222077132 /nfs/dbraw/zinc/07/71/32/222077132.db2.gz JDYNFKAPEIPBCC-HXUWFJFHSA-N 1 0 356.510 3.572 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@@H](COCc4ccncc4)C3)CC2)cs1 ZINC000096218284 222081332 /nfs/dbraw/zinc/08/13/32/222081332.db2.gz KQWKCBWVJDVIAB-LJQANCHMSA-N 1 0 358.507 3.731 40 0 FHABRO c1csc(C[NH+]2CCC3(CO[C@@H](COCc4ccccn4)C3)CC2)c1 ZINC000096218293 222081946 /nfs/dbraw/zinc/08/19/46/222081946.db2.gz FNRWBUHJLMEJSQ-GOSISDBHSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)NC4CCCCC4)C3)C2)n1 ZINC000096216264 222082141 /nfs/dbraw/zinc/08/21/41/222082141.db2.gz GNYBGWLTWHWNRK-QFIPXVFZSA-N 1 0 370.541 3.720 40 0 FHABRO c1ccc(C[NH+]2CCC3(CO[C@H](COCc4ccncc4)C3)CC2)cc1 ZINC000096219346 222083336 /nfs/dbraw/zinc/08/33/36/222083336.db2.gz RHMSTJWDMHUUBZ-NRFANRHFSA-N 1 0 352.478 3.670 40 0 FHABRO Cc1ccc(CC(=O)N[C@H](c2ccccn2)[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000100749984 222251491 /nfs/dbraw/zinc/25/14/91/222251491.db2.gz GIUFFZPTHDNBES-JQVVWYNYSA-N 1 0 351.494 3.555 40 0 FHABRO COC(=O)c1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000022076847 263385216 /nfs/dbraw/zinc/38/52/16/263385216.db2.gz SWLUUPYQFONYSZ-BTYIYWSLSA-N 1 0 365.429 3.945 40 0 FHABRO COC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000039745333 263399557 /nfs/dbraw/zinc/39/95/57/263399557.db2.gz ADWJIFCPLGXUPE-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO Cc1ccsc1C[N@H+]1CC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257345024 534472637 /nfs/dbraw/zinc/47/26/37/534472637.db2.gz ZZQAMZOJVNRROD-HNNXBMFYSA-N 1 0 353.495 3.545 40 0 FHABRO c1csc(C[NH2+][C@@H]2CCc3nc(NCc4ccccc4)ncc3C2)c1 ZINC000306137016 534522905 /nfs/dbraw/zinc/52/29/05/534522905.db2.gz QIZURQBXUFHONH-QGZVFWFLSA-N 1 0 350.491 3.797 40 0 FHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020460264 522884133 /nfs/dbraw/zinc/88/41/33/522884133.db2.gz KOXNZHOWHBGVCW-MDZRGWNJSA-N 1 0 366.933 3.982 40 0 FHABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCCCCC1 ZINC000020494999 523050617 /nfs/dbraw/zinc/05/06/17/523050617.db2.gz BJKLCQBTCUHONT-GOSISDBHSA-N 1 0 352.906 3.880 40 0 FHABRO CCOc1ccc(C[NH+](C)C)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 ZINC000257263196 528430484 /nfs/dbraw/zinc/43/04/84/528430484.db2.gz LOUZOGQZAAWILR-RGMHLJPOSA-N 1 0 374.525 3.672 40 0 FHABRO CCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(C)[nH+]1 ZINC000329022243 535522319 /nfs/dbraw/zinc/52/23/19/535522319.db2.gz OMOPVPXFXXCBNA-UHFFFAOYSA-N 1 0 352.360 3.678 40 0 FHABRO CC[C@H](C)Nc1nc(N2CCc3cc(OC)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329005309 536149073 /nfs/dbraw/zinc/14/90/73/536149073.db2.gz KXUQEDUYQDWRDY-HNNXBMFYSA-N 1 0 354.498 3.804 40 0 FHABRO COc1cc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc(OC)c1OC ZINC000035446533 560079540 /nfs/dbraw/zinc/07/95/40/560079540.db2.gz DXDBPZCSNDHKMP-HNNXBMFYSA-N 1 0 368.433 3.843 40 0 biogenic,in-vitro FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 ZINC000022931741 568314523 /nfs/dbraw/zinc/31/45/23/568314523.db2.gz KQTSRJVYGXTYMX-FQEVSTJZSA-N 1 0 369.509 3.585 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cscn4)C3)CC2)s1 ZINC000096046541 570472940 /nfs/dbraw/zinc/47/29/40/570472940.db2.gz AIESBLPOCJDTDI-UHFFFAOYSA-N 1 0 361.536 3.641 40 0 FHABRO COc1ccc(C[N@@H+]2CCC3(C2)CCN(C(=O)c2ccsc2)CC3)cc1 ZINC000096046656 570473032 /nfs/dbraw/zinc/47/30/32/570473032.db2.gz VTRYDKAQYWJUGW-UHFFFAOYSA-N 1 0 370.518 3.885 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccccn3)CC2)N1Cc1cccc(F)c1 ZINC000096047556 570473896 /nfs/dbraw/zinc/47/38/96/570473896.db2.gz ZUOJPDCCVWNXPH-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3Cc3ccncc3)CC2)s1 ZINC000096047537 570473928 /nfs/dbraw/zinc/47/39/28/570473928.db2.gz YXAAGUPRVYGFPN-NRFANRHFSA-N 1 0 369.534 3.999 40 0 FHABRO CCCCOC(C(=O)OCC[NH+](C)C)(c1ccccc1)c1ccccc1 ZINC000001608968 570503059 /nfs/dbraw/zinc/50/30/59/570503059.db2.gz GKDSSWBKXQWYDF-UHFFFAOYSA-N 1 0 355.478 3.852 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)c(C)c(C)c1 ZINC000001710838 570505127 /nfs/dbraw/zinc/50/51/27/570505127.db2.gz JFYUMVGJTVQVPI-HSZRJFAPSA-N 1 0 369.505 3.733 40 0 FHABRO CC[NH+](CC)CCSC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1 ZINC000001711003 570505302 /nfs/dbraw/zinc/50/53/02/570505302.db2.gz OGOKMCAPVDEHOL-OAQYLSRUSA-N 1 0 357.519 3.833 40 0 FHABRO Clc1ccccc1C[NH+]1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108531893 570526794 /nfs/dbraw/zinc/52/67/94/570526794.db2.gz LYPOMTQEWBCRNY-QGZVFWFLSA-N 1 0 372.900 3.756 40 0 FHABRO Cc1cc(N2CCOCC2)ncc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219427 570534852 /nfs/dbraw/zinc/53/48/52/570534852.db2.gz PWFHRXNKDUNQHX-OAQYLSRUSA-N 1 0 351.494 3.954 40 0 FHABRO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccc(OC)c4)no3)C2)c1 ZINC000072369871 570546809 /nfs/dbraw/zinc/54/68/09/570546809.db2.gz XYCBSQIVDBWDEL-KRWDZBQOSA-N 1 0 365.433 3.743 40 0 FHABRO CC[NH+](CC)CCCN(C(C)=O)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000005657018 570632588 /nfs/dbraw/zinc/63/25/88/570632588.db2.gz FZPIMZDJRNFOPS-GOSISDBHSA-N 1 0 361.530 3.519 40 0 FHABRO COc1cc2cccnc2c(NC[C@@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000005834690 570637087 /nfs/dbraw/zinc/63/70/87/570637087.db2.gz JSXONVWYLGHYDM-GOSISDBHSA-N 1 0 359.514 3.630 40 0 FHABRO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000008326341 570680379 /nfs/dbraw/zinc/68/03/79/570680379.db2.gz RPCOOEGDCSMHBJ-INIZCTEOSA-N 1 0 367.848 3.927 40 0 FHABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1c(F)cccc1Cl ZINC000008497961 570682357 /nfs/dbraw/zinc/68/23/57/570682357.db2.gz QRXBIUOYOXHVTF-LBPRGKRZSA-N 1 0 353.821 3.537 40 0 FHABRO CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000012087220 570717119 /nfs/dbraw/zinc/71/71/19/570717119.db2.gz BGNWHPCHPXZNQU-QHCPKHFHSA-N 1 0 364.489 3.771 40 0 FHABRO O=c1oc2ccccc2n1[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000012089308 570717999 /nfs/dbraw/zinc/71/79/99/570717999.db2.gz OTNCQPUYGFHQJG-SFHVURJKSA-N 1 0 359.429 3.980 40 0 FHABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)C4CC4)CC3)[nH+]c12 ZINC000012127997 570720661 /nfs/dbraw/zinc/72/06/61/570720661.db2.gz XEJXYGJBWPWORZ-UHFFFAOYSA-N 1 0 354.498 3.969 40 0 FHABRO Cc1cccc(C2(O)CC[NH+](Cc3cncn3Cc3ccccc3)CC2)c1 ZINC000012147600 570723214 /nfs/dbraw/zinc/72/32/14/570723214.db2.gz CICHKGBFIRXOKD-UHFFFAOYSA-N 1 0 361.489 3.723 40 0 FHABRO CCOc1ccc(C[NH+]2CCC(c3nn(C)c4ncccc34)CC2)cc1 ZINC000012186674 570724974 /nfs/dbraw/zinc/72/49/74/570724974.db2.gz AFQVYERWXURYLF-UHFFFAOYSA-N 1 0 350.466 3.747 40 0 FHABRO COc1ccc(C(=O)N2C[C@H]3CCC[N@H+](Cc4ccc(C)cc4)[C@H]3C2)cc1 ZINC000012188387 570725363 /nfs/dbraw/zinc/72/53/63/570725363.db2.gz NCBMHRLMQRAVGG-IRLDBZIGSA-N 1 0 364.489 3.740 40 0 FHABRO C[NH+](C)[C@@H](CNC(=O)c1cc(C2CCCCC2)no1)c1ccc(F)cc1 ZINC000012198427 570726738 /nfs/dbraw/zinc/72/67/38/570726738.db2.gz SRBXJRXGALSVKF-SFHVURJKSA-N 1 0 359.445 3.894 40 0 FHABRO CCCn1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)c1C ZINC000012242238 570730838 /nfs/dbraw/zinc/73/08/38/570730838.db2.gz GTRXGQLSHLSBRV-HTZLVSCSSA-N 1 0 357.473 3.755 40 0 FHABRO CCCc1ncc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cn1 ZINC000012242175 570730981 /nfs/dbraw/zinc/73/09/81/570730981.db2.gz NWPBPVSPDJBKJZ-PMSBKCLSSA-N 1 0 355.457 3.583 40 0 FHABRO O=C(c1cccc(F)c1)N1CCCc2cc([C@@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291538 570732272 /nfs/dbraw/zinc/73/22/72/570732272.db2.gz VIYUCNNHJFVVGO-NRFANRHFSA-N 1 0 368.452 3.548 40 0 FHABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2)c1ccccc1 ZINC000012293329 570732807 /nfs/dbraw/zinc/73/28/07/570732807.db2.gz OSRVTZRKUNSAPD-OALUTQOASA-N 1 0 373.880 3.724 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2cn(C)c3ccc(F)cc23)CC1 ZINC000012328480 570737388 /nfs/dbraw/zinc/73/73/88/570737388.db2.gz BTFPOOSFGHBXQK-UHFFFAOYSA-N 1 0 368.452 3.810 40 0 FHABRO COc1cccc2ccc(C[NH+]3CCC(O)(c4ccccc4F)CC3)nc21 ZINC000012363489 570738593 /nfs/dbraw/zinc/73/85/93/570738593.db2.gz WGLCFPIUMWBMSL-UHFFFAOYSA-N 1 0 366.436 3.866 40 0 FHABRO CC(=O)N1Cc2ccccc2O[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000012365381 570739145 /nfs/dbraw/zinc/73/91/45/570739145.db2.gz HQJVSZRXLCSHRS-HSZRJFAPSA-N 1 0 364.489 3.505 40 0 FHABRO Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCC(C)CC2)cc(C)c1Cl ZINC000010541008 570804389 /nfs/dbraw/zinc/80/43/89/570804389.db2.gz MSKWKPQDNSPDRA-QGZVFWFLSA-N 1 0 366.933 3.962 40 0 FHABRO CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000096058462 570871762 /nfs/dbraw/zinc/87/17/62/570871762.db2.gz OODGUKZXVGZWRP-VXKWHMMOSA-N 1 0 352.453 3.590 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOCc3ccccc3)cc2)C1 ZINC000224334017 570985240 /nfs/dbraw/zinc/98/52/40/570985240.db2.gz YEIVDJANXKQOOT-IBGZPJMESA-N 1 0 366.505 3.865 40 0 FHABRO CSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000224955455 571007330 /nfs/dbraw/zinc/00/73/30/571007330.db2.gz PULHMFVBZNSJIB-UHFFFAOYSA-N 1 0 362.524 3.744 40 0 FHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C ZINC000224962417 571007312 /nfs/dbraw/zinc/00/73/12/571007312.db2.gz XQPIGXGVWUEMCE-UHFFFAOYSA-N 1 0 352.478 3.572 40 0 FHABRO COc1ccccc1[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225017131 571010526 /nfs/dbraw/zinc/01/05/26/571010526.db2.gz QZMXYQXOUUUCTL-FUHWJXTLSA-N 1 0 370.468 3.924 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)c1 ZINC000039766350 571023544 /nfs/dbraw/zinc/02/35/44/571023544.db2.gz KDKYVQJXORCUMP-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 ZINC000225634970 571051576 /nfs/dbraw/zinc/05/15/76/571051576.db2.gz DBRNPDSYMXHYAD-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225644360 571052246 /nfs/dbraw/zinc/05/22/46/571052246.db2.gz NJVDKDOLYZQTER-NRFANRHFSA-N 1 0 360.498 3.695 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225643825 571052335 /nfs/dbraw/zinc/05/23/35/571052335.db2.gz AMILESRALIBYPF-IERDGZPVSA-N 1 0 360.498 3.551 40 0 FHABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225654670 571053064 /nfs/dbraw/zinc/05/30/64/571053064.db2.gz FRFHNUDEXFGQFJ-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225688467 571055827 /nfs/dbraw/zinc/05/58/27/571055827.db2.gz SXBNWNDLHCJSKR-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225715620 571058344 /nfs/dbraw/zinc/05/83/44/571058344.db2.gz PTJFQWOYIGMKLQ-UWJYYQICSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225715647 571058352 /nfs/dbraw/zinc/05/83/52/571058352.db2.gz PTJFQWOYIGMKLQ-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO CCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225723256 571059218 /nfs/dbraw/zinc/05/92/18/571059218.db2.gz YNFOJRDNCHQYMO-OAQYLSRUSA-N 1 0 360.498 3.695 40 0 FHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225735653 571060728 /nfs/dbraw/zinc/06/07/28/571060728.db2.gz UPXLUBHQGJAPOU-ZDUSSCGKSA-N 1 0 370.360 3.858 40 0 FHABRO CCN(C(C)=O)[C@@H]1C[N@H+](Cc2c(C)nc3sccn23)C2(C1)CCCCC2 ZINC000019703844 571062483 /nfs/dbraw/zinc/06/24/83/571062483.db2.gz LIOWEEWWQGYKFT-KRWDZBQOSA-N 1 0 374.554 3.850 40 0 FHABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cccc(C)n1 ZINC000036740331 571081577 /nfs/dbraw/zinc/08/15/77/571081577.db2.gz QCYJCGWFCNYFPC-UHFFFAOYSA-N 1 0 350.466 3.688 40 0 FHABRO O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038849326 571087614 /nfs/dbraw/zinc/08/76/14/571087614.db2.gz UYMXBJSSZAKPDR-HNNXBMFYSA-N 1 0 372.852 3.919 40 0 FHABRO CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872837 571103450 /nfs/dbraw/zinc/10/34/50/571103450.db2.gz YITPYQJBKCWXEZ-GOSISDBHSA-N 1 0 366.505 3.929 40 0 FHABRO O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044932685 571104740 /nfs/dbraw/zinc/10/47/40/571104740.db2.gz ZGDIOQABFYRBIE-UHFFFAOYSA-N 1 0 374.488 3.788 40 0 FHABRO O=C(CCCOc1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000046374742 571107142 /nfs/dbraw/zinc/10/71/42/571107142.db2.gz BZKRCDQMSDNIEG-UHFFFAOYSA-N 1 0 352.478 3.758 40 0 FHABRO C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260808153 571123559 /nfs/dbraw/zinc/12/35/59/571123559.db2.gz GCDMCKIQVSPBQN-ROUUACIJSA-N 1 0 358.526 3.571 40 0 FHABRO Cc1ccsc1CN1CC2(C1)OCC[C@H]2COCc1csc(C)n1 ZINC000248015615 571126964 /nfs/dbraw/zinc/12/69/64/571126964.db2.gz HIDOPNYFYURVPL-HNNXBMFYSA-N 1 0 364.536 3.629 40 0 FHABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC000072345883 571179797 /nfs/dbraw/zinc/17/97/97/571179797.db2.gz UTLFRDUQTJDYNQ-INIZCTEOSA-N 1 0 352.482 3.856 40 0 FHABRO COc1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4cnn(C)c4)C3)n2)c1 ZINC000072349958 571181496 /nfs/dbraw/zinc/18/14/96/571181496.db2.gz FHBJVQAIHBSFNA-IBGZPJMESA-N 1 0 362.477 3.870 40 0 FHABRO CCC(=O)N1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1 ZINC000072374893 571185439 /nfs/dbraw/zinc/18/54/39/571185439.db2.gz LZXOFMJGVQXWNZ-INIZCTEOSA-N 1 0 353.470 3.656 40 0 FHABRO c1cnc(Nc2nccc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)n2)cn1 ZINC000072377849 571187027 /nfs/dbraw/zinc/18/70/27/571187027.db2.gz MGMGUIHCZMYSPE-KRWDZBQOSA-N 1 0 352.486 3.770 40 0 FHABRO CCc1nccn1-c1cncc([C@H]2CCC[N@@H+]2Cc2ccc(OC)cc2)n1 ZINC000072378690 571187242 /nfs/dbraw/zinc/18/72/42/571187242.db2.gz MIQRYWJIZQTPTN-LJQANCHMSA-N 1 0 363.465 3.570 40 0 FHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380341 571188052 /nfs/dbraw/zinc/18/80/52/571188052.db2.gz ZLSLRISDNXUXHG-IBGZPJMESA-N 1 0 370.472 3.755 40 0 FHABRO COc1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1 ZINC000072384262 571188928 /nfs/dbraw/zinc/18/89/28/571188928.db2.gz WQKWIYJZKXCBRU-IBGZPJMESA-N 1 0 355.438 3.593 40 0 FHABRO COc1ccc(C[N@H+]2C[C@@H](c3ccc(OC)cc3)[C@H](c3cc[nH]n3)C2)cc1 ZINC000072395161 571190250 /nfs/dbraw/zinc/19/02/50/571190250.db2.gz YLBOGSISSWJPPC-LEWJYISDSA-N 1 0 363.461 3.810 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)nc(-c2cccnc2)[nH]1 ZINC000072392739 571190254 /nfs/dbraw/zinc/19/02/54/571190254.db2.gz WJKXEWUIENASRJ-UHFFFAOYSA-N 1 0 364.424 3.763 40 0 FHABRO Cc1cc(C[NH+]2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)oc1C ZINC000072392861 571190294 /nfs/dbraw/zinc/19/02/94/571190294.db2.gz JSTMEBUKJZLUFG-UHFFFAOYSA-N 1 0 364.449 3.834 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4cccnc4)n3)C2)s1 ZINC000072393099 571190438 /nfs/dbraw/zinc/19/04/38/571190438.db2.gz WEROTYDXHSECIQ-MRXNPFEDSA-N 1 0 366.490 3.581 40 0 FHABRO COc1ccc2c(c1)c([C@@H]1C[N@H+](Cc3cccs3)C[C@H]1N(C)C)cn2C ZINC000072395531 571190745 /nfs/dbraw/zinc/19/07/45/571190745.db2.gz IIOYJJDGUATNSX-PZJWPPBQSA-N 1 0 369.534 3.778 40 0 FHABRO C[C@@H](Cc1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000072395788 571190809 /nfs/dbraw/zinc/19/08/09/571190809.db2.gz CCWNOGYVXNWTQL-KSFYIVLOSA-N 1 0 352.453 3.577 40 0 FHABRO CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCC[N@@H+](C(C)C)C1 ZINC000072395937 571190903 /nfs/dbraw/zinc/19/09/03/571190903.db2.gz QMNJPKAERDBZSS-OAQYLSRUSA-N 1 0 355.482 3.511 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCN3C(=O)c3ccoc3)CC2)cc1 ZINC000585099980 571221771 /nfs/dbraw/zinc/22/17/71/571221771.db2.gz BWAULUFHEDOSFA-JOCHJYFZSA-N 1 0 368.477 3.949 40 0 FHABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)o1 ZINC000585109622 571224929 /nfs/dbraw/zinc/22/49/29/571224929.db2.gz FSGXWTJQLCMZDS-JAXLGGSGSA-N 1 0 373.456 3.683 40 0 FHABRO O=C1NCCCC12CC[NH+](Cc1ccc(-c3cccc(F)c3)cc1)CC2 ZINC000585168573 571237323 /nfs/dbraw/zinc/23/73/23/571237323.db2.gz AQINOOVSBICLIK-UHFFFAOYSA-N 1 0 352.453 3.985 40 0 FHABRO Cc1cc(O[C@H](C)C(=O)NCCC[NH+]2CCCCC2)cc(C)c1Cl ZINC000010279906 571302877 /nfs/dbraw/zinc/30/28/77/571302877.db2.gz ASBUBCLQKBQXEF-MRXNPFEDSA-N 1 0 352.906 3.716 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 ZINC000006629869 941153008 /nfs/dbraw/zinc/15/30/08/941153008.db2.gz XYXXEFSDSAYLGE-UHFFFAOYSA-N 1 0 355.507 3.584 40 0 FHABRO C[N@H+](CC1=CCCCC1)C1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000257240978 529859067 /nfs/dbraw/zinc/85/90/67/529859067.db2.gz HWAVRFZNNJMNFI-UHFFFAOYSA-N 1 0 354.494 3.922 40 0 FHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000216205348 222659996 /nfs/dbraw/zinc/65/99/96/222659996.db2.gz WRJRCZGDIAPEDI-GGPKGHCWSA-N 1 0 360.542 3.945 40 0 FHABRO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000223929148 222800939 /nfs/dbraw/zinc/80/09/39/222800939.db2.gz USZRQIFQHLHSOZ-UHFFFAOYSA-N 1 0 352.478 3.708 40 0 FHABRO CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624290 222817251 /nfs/dbraw/zinc/81/72/51/222817251.db2.gz KYCBAWYIJNVANN-OAQYLSRUSA-N 1 0 370.468 3.895 40 0 FHABRO COc1ccc(CC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000224680976 222817799 /nfs/dbraw/zinc/81/77/99/222817799.db2.gz JMHZTELCVKOGCU-UHFFFAOYSA-N 1 0 352.478 3.540 40 0 FHABRO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225607211 222853887 /nfs/dbraw/zinc/85/38/87/222853887.db2.gz AONXWDROEINXHG-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1cccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000225771788 222867545 /nfs/dbraw/zinc/86/75/45/222867545.db2.gz YCLMSRFDHDXDQU-UHFFFAOYSA-N 1 0 369.534 3.955 40 0 FHABRO CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000002694545 219458053 /nfs/dbraw/zinc/45/80/53/219458053.db2.gz VLWDXHLABKTLOC-FUHWJXTLSA-N 1 0 363.542 3.954 40 0 FHABRO NC(=O)O[C@@H]1CC[N@H+](CCCC(=O)c2ccc(F)cc2)[C@H]2CCCC[C@H]12 ZINC000004212454 219554548 /nfs/dbraw/zinc/55/45/48/219554548.db2.gz RVPQELWEPXXXPC-JENIJYKNSA-N 1 0 362.445 3.517 40 0 in-man FHABRO Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3[NH2+]CC[C@H]32)c2ccccc12 ZINC000257213010 223021611 /nfs/dbraw/zinc/02/16/11/223021611.db2.gz CFVGEPFWKJZFNI-PZJWPPBQSA-N 1 0 353.510 3.781 40 0 FHABRO Cc1cccnc1C[NH+]1CCC(c2ccnc(Nc3cnccn3)c2)CC1 ZINC000257251071 223037900 /nfs/dbraw/zinc/03/79/00/223037900.db2.gz JPHHCUDZXYTLAV-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cncs3)C2)n1 ZINC000257252442 223038826 /nfs/dbraw/zinc/03/88/26/223038826.db2.gz JUTYSRSENCJAKD-OAHLLOKOSA-N 1 0 366.494 3.760 40 0 FHABRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000006305984 219723280 /nfs/dbraw/zinc/72/32/80/219723280.db2.gz WEYSCXKLSQCPLC-CQSZACIVSA-N 1 0 358.320 3.993 40 0 FHABRO C[NH+](C)CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257274021 223047265 /nfs/dbraw/zinc/04/72/65/223047265.db2.gz NJFHBIPSOMSNFR-KRWDZBQOSA-N 1 0 361.873 3.534 40 0 FHABRO Cc1nc(Nc2ccccn2)cc([C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257291060 223052985 /nfs/dbraw/zinc/05/29/85/223052985.db2.gz QFLALJLXQOLARE-GOSISDBHSA-N 1 0 367.497 3.530 40 0 FHABRO Cc1ccc(Nc2nccc(C3CC[NH+](Cc4cccnc4)CC3)n2)nc1 ZINC000257305079 223059063 /nfs/dbraw/zinc/05/90/63/223059063.db2.gz SOJDXTWMZIDPDF-UHFFFAOYSA-N 1 0 360.465 3.698 40 0 FHABRO COc1ccc(/C=C/C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008011586 219840676 /nfs/dbraw/zinc/84/06/76/219840676.db2.gz VFHHVPFMNRALHG-JLHYYAGUSA-N 1 0 350.462 3.621 40 0 FHABRO c1ccc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306123767 223105523 /nfs/dbraw/zinc/10/55/23/223105523.db2.gz AWCTZOZQLCDNJN-IBGZPJMESA-N 1 0 370.460 3.566 40 0 FHABRO Fc1ccc(C[NH+]2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cc1 ZINC000306132814 223109491 /nfs/dbraw/zinc/10/94/91/223109491.db2.gz LSWSNNJBVLZVAZ-UHFFFAOYSA-N 1 0 351.429 3.520 40 0 FHABRO c1cc(C[NH+]2CCC(c3nnc4ccc(-c5ccccc5)nn43)CC2)co1 ZINC000306132730 223109870 /nfs/dbraw/zinc/10/98/70/223109870.db2.gz LQNMVFLVKGLIOQ-UHFFFAOYSA-N 1 0 359.433 3.764 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4cccc(C)n4)C[C@H]2C3)cc1 ZINC000306144880 223114611 /nfs/dbraw/zinc/11/46/11/223114611.db2.gz ZRJCNLGZPILAHR-MOPGFXCFSA-N 1 0 374.488 3.566 40 0 FHABRO Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]C3CCCC3)cc12 ZINC000013564685 220074500 /nfs/dbraw/zinc/07/45/00/220074500.db2.gz QZRVQWWVTIJAIF-UHFFFAOYSA-N 1 0 356.857 3.708 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000019082087 220235166 /nfs/dbraw/zinc/23/51/66/220235166.db2.gz HAFKROXHWAGUBR-FQEVSTJZSA-N 1 0 366.509 3.592 40 0 FHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@@H](CN2CCCC2=O)C1 ZINC000019083450 220235349 /nfs/dbraw/zinc/23/53/49/220235349.db2.gz ONOAONLLJCRSNA-MRXNPFEDSA-N 1 0 368.525 3.695 40 0 FHABRO Cc1ccnn1C[C@@H](C)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019238340 220242903 /nfs/dbraw/zinc/24/29/03/220242903.db2.gz MEZQQAFZRJMDBK-AEFFLSMTSA-N 1 0 374.554 3.623 40 0 FHABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3F)C[C@]23CCCCC(=O)N3)n1 ZINC000019236389 220243228 /nfs/dbraw/zinc/24/32/28/220243228.db2.gz ZUHKBUMBPPMLHJ-PGRDOPGGSA-N 1 0 367.468 3.558 40 0 FHABRO Cc1ccsc1C[N@@H+]1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000019238649 220243541 /nfs/dbraw/zinc/24/35/41/220243541.db2.gz OAKBADSUACVOCD-CQSZACIVSA-N 1 0 359.524 3.684 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC[C@@H](n3c4cc(Cl)ccc4oc3=O)C2)n1 ZINC000019236235 220244001 /nfs/dbraw/zinc/24/40/01/220244001.db2.gz JPVBSFKFQCBBCH-MRXNPFEDSA-N 1 0 357.841 3.788 40 0 FHABRO Clc1cccc(CN2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1Cl ZINC000019292618 220245737 /nfs/dbraw/zinc/24/57/37/220245737.db2.gz SMURKOJPGVZTQR-INIZCTEOSA-N 1 0 363.292 3.766 40 0 FHABRO COc1cc2cccnc2c(N[C@@H](C)CCC[NH2+][C@H]2CN3CCC2CC3)c1 ZINC000019364689 220253569 /nfs/dbraw/zinc/25/35/69/220253569.db2.gz XZCBNFPCVYRZNI-KKSFZXQISA-N 1 0 368.525 3.508 40 0 FHABRO C[C@@H]1Cc2cc([C@H](O)C[N@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497834 220264248 /nfs/dbraw/zinc/26/42/48/220264248.db2.gz DJGIJPOUZSNHIL-OPAMFIHVSA-N 1 0 364.489 3.540 40 0 FHABRO Cc1noc2nc(C3CC[NH+](CC4=CCCOC4)CC3)cc(C(F)F)c12 ZINC000019564977 220273715 /nfs/dbraw/zinc/27/37/15/220273715.db2.gz IKYVKOXJYRSSIA-UHFFFAOYSA-N 1 0 363.408 3.995 40 0 FHABRO Cc1noc2nc([C@@H]3CCC[N@H+](Cc4cnc(C)nc4)C3)cc(C(F)F)c12 ZINC000019564392 220274451 /nfs/dbraw/zinc/27/44/51/220274451.db2.gz IUHAGCYXAORIGR-CQSZACIVSA-N 1 0 373.407 3.947 40 0 FHABRO COCCOc1ccc(C[N@@H+]2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1 ZINC000019593700 220278313 /nfs/dbraw/zinc/27/83/13/220278313.db2.gz IPAVJOFGQBODKJ-SFHVURJKSA-N 1 0 365.477 3.968 40 0 FHABRO CCOc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000019715685 220290607 /nfs/dbraw/zinc/29/06/07/220290607.db2.gz YECSPGFDSNKOID-IBGZPJMESA-N 1 0 373.522 3.716 40 0 FHABRO CC(C)CNC(=O)c1cc([C@@H]2CC[N@H+](CC3CC3)C2)nc2ccccc21 ZINC000019761470 220294605 /nfs/dbraw/zinc/29/46/05/220294605.db2.gz SQPJHCTUMKTRAF-QGZVFWFLSA-N 1 0 351.494 3.820 40 0 FHABRO C/C=C/c1ccc(=O)n2c1[C@@H]1C[C@H](C2)C[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000020503468 220331769 /nfs/dbraw/zinc/33/17/69/220331769.db2.gz HCIWNEOXLAURBZ-HECAZONMSA-N 1 0 350.462 3.509 40 0 biogenic,in-vitro FHABRO CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022521471 220389505 /nfs/dbraw/zinc/38/95/05/220389505.db2.gz VSDICTIBFXTJTM-FVJLSDCUSA-N 1 0 360.542 3.945 40 0 FHABRO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022521467 220389524 /nfs/dbraw/zinc/38/95/24/220389524.db2.gz VSDICTIBFXTJTM-LLGFUMIMSA-N 1 0 360.542 3.945 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390026 221490741 /nfs/dbraw/zinc/49/07/41/221490741.db2.gz WUOVHUYHIUSPSR-MRXNPFEDSA-N 1 0 350.422 3.520 40 0 FHABRO Cc1cccc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC000096073281 132218149 /nfs/dbraw/zinc/21/81/49/132218149.db2.gz HEQBTKKOHXGJFS-HXUWFJFHSA-N 1 0 351.494 3.650 40 0 FHABRO CCc1cc(N2CCc3cc(Cl)ccc3C2)nc(N[C@@H](CO)C(C)C)[nH+]1 ZINC000329056687 132372965 /nfs/dbraw/zinc/37/29/65/132372965.db2.gz VTGGWRPCJJLERZ-SFHVURJKSA-N 1 0 374.916 3.684 40 0 FHABRO CCc1cc(N2CCc3cc(OC)ccc3C2)nc(NCc2ccccc2)[nH+]1 ZINC000329055340 132373050 /nfs/dbraw/zinc/37/30/50/132373050.db2.gz VMXUVSLRHHWDJQ-UHFFFAOYSA-N 1 0 374.488 3.644 40 0 FHABRO CNc1cc(N2CCc3ccc(Br)cc3C2)nc(C(C)C)[nH+]1 ZINC000329068678 132373354 /nfs/dbraw/zinc/37/33/54/132373354.db2.gz YRZRALGORMTPPE-UHFFFAOYSA-N 1 0 361.287 3.967 40 0 FHABRO Cc1ccc(SCCC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000060438017 136132442 /nfs/dbraw/zinc/13/24/42/136132442.db2.gz ZTOVXDCNJQESNA-UHFFFAOYSA-N 1 0 369.534 3.868 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)cc1 ZINC000096106689 222025267 /nfs/dbraw/zinc/02/52/67/222025267.db2.gz NFHKUMSXRVXOSM-OAQYLSRUSA-N 1 0 359.510 3.562 40 0 FHABRO O=C(C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053401 222003033 /nfs/dbraw/zinc/00/30/33/222003033.db2.gz BDWPZOMSVHZGIJ-GOSISDBHSA-N 1 0 368.521 3.856 40 0 FHABRO O=C(Nc1ccccc1)[C@H]1C[N@@H+](Cc2ccc(F)cc2)CC12CCOCC2 ZINC000096052258 222003722 /nfs/dbraw/zinc/00/37/22/222003722.db2.gz FSKHDJIYPWPPMY-HXUWFJFHSA-N 1 0 368.452 3.693 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)Oc2ccccc21 ZINC000096053145 222003869 /nfs/dbraw/zinc/00/38/69/222003869.db2.gz XVQCVGXTRCBQSH-GOSISDBHSA-N 1 0 368.477 3.659 40 0 FHABRO Cc1cccc(COC[C@@]23CCCO[C@H]2CC[N@H+](Cc2ccoc2)C3)n1 ZINC000096065128 222010171 /nfs/dbraw/zinc/01/01/71/222010171.db2.gz KLVAJBFEZJYYIM-SFTDATJTSA-N 1 0 356.466 3.571 40 0 FHABRO Fc1ccc(CN2CCOCC23CC[NH+](Cc2ccccc2F)CC3)cc1 ZINC000096074692 222011924 /nfs/dbraw/zinc/01/19/24/222011924.db2.gz YUPBTMTYNOQWMH-UHFFFAOYSA-N 1 0 372.459 3.832 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)cc1 ZINC000096100331 222022775 /nfs/dbraw/zinc/02/27/75/222022775.db2.gz LDBSWOLVSXXEFB-QHCPKHFHSA-N 1 0 362.473 3.596 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@]3(CCN(c4ncccn4)C3)C2)s1 ZINC000096239676 222096171 /nfs/dbraw/zinc/09/61/71/222096171.db2.gz FZSLZHLVQZUCNA-QGZVFWFLSA-N 1 0 364.465 3.584 40 0 FHABRO O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](CCCc3ccccc3)[C@H]2C1 ZINC000096244869 222098876 /nfs/dbraw/zinc/09/88/76/222098876.db2.gz LARNIUFPZLBEBH-FPOVZHCZSA-N 1 0 368.908 3.658 40 0 FHABRO c1nc2n(c1-c1ccccc1)C[C@H](C[NH2+]Cc1c[nH]c3ccccc13)OC2 ZINC000096296463 222111983 /nfs/dbraw/zinc/11/19/83/222111983.db2.gz AVAVUKDEXHRWKB-SFHVURJKSA-N 1 0 358.445 3.720 40 0 biogenic,in-vitro FHABRO O=C(CC1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2)N1CCCC1 ZINC000096159368 222057979 /nfs/dbraw/zinc/05/79/79/222057979.db2.gz AOSIVQYFDMNDFW-UHFFFAOYSA-N 1 0 355.526 3.867 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21 ZINC000096161222 222061485 /nfs/dbraw/zinc/06/14/85/222061485.db2.gz JVNLUOXIEWPNOD-QGZVFWFLSA-N 1 0 352.478 3.779 40 0 FHABRO O=C1N(c2cccnc2)CC12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000096202958 222075273 /nfs/dbraw/zinc/07/52/73/222075273.db2.gz CYCDXXMAPGBOJI-UHFFFAOYSA-N 1 0 359.832 3.503 40 0 FHABRO CCOC[C@@H]1CCC2(CCN(C(=O)c3cc4ccccc4o3)CC2)[N@@H+]1C ZINC000096207371 222076976 /nfs/dbraw/zinc/07/69/76/222076976.db2.gz SPXFAZONNNJCLV-KRWDZBQOSA-N 1 0 356.466 3.538 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 ZINC000096216188 222081481 /nfs/dbraw/zinc/08/14/81/222081481.db2.gz RGENNEYTZHUQDU-QFIPXVFZSA-N 1 0 364.493 3.910 40 0 FHABRO Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)n1 ZINC000096216190 222081829 /nfs/dbraw/zinc/08/18/29/222081829.db2.gz RGENNEYTZHUQDU-JOCHJYFZSA-N 1 0 364.493 3.910 40 0 FHABRO CCOc1cc(C[NH2+]Cc2cccnc2)cc(Br)c1OCC ZINC000006870225 263347876 /nfs/dbraw/zinc/34/78/76/263347876.db2.gz NCOLZEHTMJBNHK-UHFFFAOYSA-N 1 0 365.271 3.931 40 0 FHABRO CCOc1c(Br)cc(C[NH2+]Cc2cccnc2)cc1OC ZINC000006870199 263348106 /nfs/dbraw/zinc/34/81/06/263348106.db2.gz NTKGIVRBLFJWFC-UHFFFAOYSA-N 1 0 351.244 3.541 40 0 FHABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCC3)o2)c1 ZINC000007540565 263351833 /nfs/dbraw/zinc/35/18/33/263351833.db2.gz KZBGCBCGHNQYBW-UHFFFAOYSA-N 1 0 357.406 3.552 40 0 FHABRO Fc1cccc(-c2cnc3n2C[C@@]2(CC[N@H+](Cc4cccs4)C2)OC3)c1 ZINC000306139123 534513054 /nfs/dbraw/zinc/51/30/54/534513054.db2.gz SPYAVASMRHWPFA-FQEVSTJZSA-N 1 0 369.465 3.926 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306132515 534517621 /nfs/dbraw/zinc/51/76/21/534517621.db2.gz LLEYJPPMVHRGTQ-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO CCC[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000020121547 521196536 /nfs/dbraw/zinc/19/65/36/521196536.db2.gz HQNQTSAPKVHHSO-HXUWFJFHSA-N 1 0 374.577 3.970 40 0 FHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000019932306 522884015 /nfs/dbraw/zinc/88/40/15/522884015.db2.gz UMNZVWBRVIPMBS-SFHVURJKSA-N 1 0 352.906 3.736 40 0 FHABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020460262 522884327 /nfs/dbraw/zinc/88/43/27/522884327.db2.gz KOXNZHOWHBGVCW-FCEWJHQRSA-N 1 0 366.933 3.982 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@H]2N1Cc1ccccc1 ZINC000306126458 534853815 /nfs/dbraw/zinc/85/38/15/534853815.db2.gz DWKFGAQYSHQECN-VQTJNVASSA-N 1 0 363.486 3.631 40 0 FHABRO O=C1c2cccn2[C@H]2C[N@@H+](Cc3cccs3)C[C@@H]2N1Cc1ccccc1 ZINC000306126456 534854153 /nfs/dbraw/zinc/85/41/53/534854153.db2.gz DWKFGAQYSHQECN-PMACEKPBSA-N 1 0 363.486 3.631 40 0 FHABRO CC[C@H](C)Nc1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(C(C)C)[nH+]1 ZINC000328992610 536148203 /nfs/dbraw/zinc/14/82/03/536148203.db2.gz IXQVOQKFVXSKME-HOTGVXAUSA-N 1 0 368.525 3.848 40 0 FHABRO CCC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289379 560032765 /nfs/dbraw/zinc/03/27/65/560032765.db2.gz JGKFRBIKAUIGPI-JAXLGGSGSA-N 1 0 370.468 3.532 40 0 biogenic,in-vitro FHABRO CCOc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@@H+]1CC ZINC000022931719 568314449 /nfs/dbraw/zinc/31/44/49/568314449.db2.gz XYDJCNBCBLODHK-NRFANRHFSA-N 1 0 353.510 3.967 40 0 FHABRO C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)S1 ZINC000222592201 568543108 /nfs/dbraw/zinc/54/31/08/568543108.db2.gz NITPBPHDNPWEKE-KYNGSXCRSA-N 1 0 361.474 3.857 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCc3ccccn3)C2)c1 ZINC000096040225 570472944 /nfs/dbraw/zinc/47/29/44/570472944.db2.gz IMVTZFCPCLNRMK-VQTJNVASSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)s1 ZINC000096046567 570473143 /nfs/dbraw/zinc/47/31/43/570473143.db2.gz QDAXJSCELZUNOC-UHFFFAOYSA-N 1 0 355.507 3.580 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CCN(C(=O)c4ccc(C)o4)C3)CC2)c1 ZINC000096046645 570473320 /nfs/dbraw/zinc/47/33/20/570473320.db2.gz QASIOBBVNKVDDD-UHFFFAOYSA-N 1 0 368.477 3.725 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)CC2)N1Cc1cccc(F)c1 ZINC000096047560 570473768 /nfs/dbraw/zinc/47/37/68/570473768.db2.gz XAWAHFMTHJRZMD-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)s1 ZINC000096047876 570473869 /nfs/dbraw/zinc/47/38/69/570473869.db2.gz HGUHSELATNMKKN-SFHVURJKSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1cnc(Nc2cncc(C3CC[NH+](Cc4ccccc4)CC3)n2)s1 ZINC000585262627 570481336 /nfs/dbraw/zinc/48/13/36/570481336.db2.gz KQTPEBCUTAQCRH-UHFFFAOYSA-N 1 0 365.506 3.787 40 0 FHABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2cc(C)ccc2Cl)C1 ZINC000585282623 570493172 /nfs/dbraw/zinc/49/31/72/570493172.db2.gz LUDNEAABHDCNBA-PMACEKPBSA-N 1 0 369.933 3.794 40 0 FHABRO O[C@@]1(COc2ccc(F)c(Cl)c2)COCC[N@@H+](C2CCCCCC2)C1 ZINC000585283531 570493197 /nfs/dbraw/zinc/49/31/97/570493197.db2.gz ROULMTVREKICDO-LJQANCHMSA-N 1 0 371.880 3.644 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]CCc2cccc(F)c2)[C@@H]1Cc1ccc(C)cc1 ZINC000585286394 570494737 /nfs/dbraw/zinc/49/47/37/570494737.db2.gz QLZUSRDJANNUKH-GOTSBHOMSA-N 1 0 368.496 3.888 40 0 FHABRO Cc1cccc(O[C@@H]2CCC[C@H]([N@H+](C)CCOc3ccccc3)[C@H]2O)c1 ZINC000585288643 570496417 /nfs/dbraw/zinc/49/64/17/570496417.db2.gz GHFXBJCPIKRWFK-BHDDXSALSA-N 1 0 355.478 3.667 40 0 FHABRO Cc1cccc(C(O)(C(=O)OCC[NH+]2CCCCC2)c2cccc(C)c2)c1 ZINC000001710787 570505149 /nfs/dbraw/zinc/50/51/49/570505149.db2.gz WYJHVFAONARLTF-UHFFFAOYSA-N 1 0 367.489 3.568 40 0 FHABRO C[NH+]1C(C)(C)CC(O)(C(O)(c2ccccc2)c2ccccc2)CC1(C)C ZINC000001727261 570505930 /nfs/dbraw/zinc/50/59/30/570505930.db2.gz RLAVSZRMXMXILA-UHFFFAOYSA-N 1 0 353.506 3.936 40 0 FHABRO c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)c1 ZINC000107712388 570525066 /nfs/dbraw/zinc/52/50/66/570525066.db2.gz ZUZCLTRYPZAVFM-PMACEKPBSA-N 1 0 358.507 3.731 40 0 FHABRO COc1ccccc1Nc1cc(-c2ccccc2)nc(NCC[NH+](C)C)n1 ZINC000242880761 570609135 /nfs/dbraw/zinc/60/91/35/570609135.db2.gz GLQILWQSDHMUSG-UHFFFAOYSA-N 1 0 363.465 3.869 40 0 FHABRO COc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000035313152 570641933 /nfs/dbraw/zinc/64/19/33/570641933.db2.gz YKBVBPAATGWSQE-UHFFFAOYSA-N 1 0 367.445 3.561 40 0 FHABRO CCOc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000035311207 570642810 /nfs/dbraw/zinc/64/28/10/570642810.db2.gz IRSUDVIWFFIYRK-ZNXRZULTSA-N 1 0 359.539 3.920 40 0 FHABRO CC[NH+](CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)ccc(C)c1C ZINC000006382261 570646233 /nfs/dbraw/zinc/64/62/33/570646233.db2.gz HGBHTCJJGOMTMZ-HSZRJFAPSA-N 1 0 369.505 3.733 40 0 FHABRO Cc1ccc(C)c(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000007923763 570675175 /nfs/dbraw/zinc/67/51/75/570675175.db2.gz MIFXNYFTANQENM-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CC[C@@]12CCC[N@@H+]3CC[C@@]4(c5cccc(OC)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000008615769 570683900 /nfs/dbraw/zinc/68/39/00/570683900.db2.gz ARQOGCYMPUOVHK-ZDFPQIBNSA-N 1 0 354.494 3.726 40 0 FHABRO Cc1ccc(C2(O)CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)cc1 ZINC000012143840 570722292 /nfs/dbraw/zinc/72/22/92/570722292.db2.gz XHRIIRQFTGBZIX-UHFFFAOYSA-N 1 0 353.491 3.930 40 0 FHABRO Cc1sc2nc(C)n(C3CC[NH+](Cc4ccccn4)CC3)c(=O)c2c1C ZINC000012145415 570722464 /nfs/dbraw/zinc/72/24/64/570722464.db2.gz MKFTXNYWXMQOFC-UHFFFAOYSA-N 1 0 368.506 3.615 40 0 FHABRO COc1ccccc1C1(O)CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000012147622 570723040 /nfs/dbraw/zinc/72/30/40/570723040.db2.gz MBWVZRNDYWWFTD-UHFFFAOYSA-N 1 0 363.461 3.569 40 0 FHABRO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1cccc(C)c1)C3 ZINC000012185455 570724756 /nfs/dbraw/zinc/72/47/56/570724756.db2.gz RDXVYJKYGRMJBH-UHFFFAOYSA-N 1 0 374.444 3.870 40 0 FHABRO CCSc1ncc(C[N@@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cn1 ZINC000012188849 570725403 /nfs/dbraw/zinc/72/54/03/570725403.db2.gz AHXPKXBRGRBMSW-LJQANCHMSA-N 1 0 361.486 3.601 40 0 FHABRO CSc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)cc1 ZINC000012223259 570729599 /nfs/dbraw/zinc/72/95/99/570729599.db2.gz KIZGMUIHFLQCPD-DSKINZAPSA-N 1 0 354.519 3.842 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1 ZINC000012292065 570732385 /nfs/dbraw/zinc/73/23/85/570732385.db2.gz LVVWCHCVHBNFKM-GOSISDBHSA-N 1 0 365.395 3.722 40 0 FHABRO O[C@H](C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 ZINC000012292603 570732388 /nfs/dbraw/zinc/73/23/88/570732388.db2.gz RLMWXUHCCWPNBR-JOCHJYFZSA-N 1 0 369.480 3.722 40 0 FHABRO COc1ccc2c(C[NH+]3CCC(O)(c4ccccc4OC)CC3)c[nH]c2c1 ZINC000012328827 570737321 /nfs/dbraw/zinc/73/73/21/570737321.db2.gz WRUUXGAFTSLVGO-UHFFFAOYSA-N 1 0 366.461 3.669 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 ZINC000012362900 570738740 /nfs/dbraw/zinc/73/87/40/570738740.db2.gz LTPYSCWDHASMKS-GOSISDBHSA-N 1 0 371.550 3.960 40 0 FHABRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc(OC)c1OC ZINC000012366520 570739205 /nfs/dbraw/zinc/73/92/05/570739205.db2.gz XNFRQVIRNVTGIF-DOTOQJQBSA-N 1 0 360.454 3.510 40 0 FHABRO CC[C@H](CO)[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000008327066 570795027 /nfs/dbraw/zinc/79/50/27/570795027.db2.gz XMWMUOAWBIIXIC-QGZVFWFLSA-N 1 0 364.283 3.889 40 0 FHABRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000010540995 570804026 /nfs/dbraw/zinc/80/40/26/570804026.db2.gz ISUKIUWGXLYXGD-GOSISDBHSA-N 1 0 360.542 3.990 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000024182123 570972793 /nfs/dbraw/zinc/97/27/93/570972793.db2.gz WIRLBZIJIHQFBM-KRWDZBQOSA-N 1 0 370.468 3.895 40 0 FHABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOCc2ccccc2)CC1 ZINC000224526974 570992151 /nfs/dbraw/zinc/99/21/51/570992151.db2.gz TVECONXGAKOTKZ-UHFFFAOYSA-N 1 0 366.505 3.540 40 0 FHABRO C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224670692 570997019 /nfs/dbraw/zinc/99/70/19/570997019.db2.gz GMDXUHVRWYLPFS-QGZVFWFLSA-N 1 0 370.468 3.895 40 0 FHABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224791445 571000814 /nfs/dbraw/zinc/00/08/14/571000814.db2.gz LAHUWXWGDVGGKP-FQEVSTJZSA-N 1 0 370.468 3.895 40 0 FHABRO COc1ccccc1NC(=S)NC1CC[NH+](Cc2cccs2)CC1 ZINC000225230466 571022933 /nfs/dbraw/zinc/02/29/33/571022933.db2.gz GCMAVFZEIFDBNN-UHFFFAOYSA-N 1 0 361.536 3.708 40 0 FHABRO CC(=O)Nc1cccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039767827 571023708 /nfs/dbraw/zinc/02/37/08/571023708.db2.gz XZQJTRDSEOZING-UHFFFAOYSA-N 1 0 365.477 3.804 40 0 FHABRO COc1ccc(Cl)cc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000029837508 571044059 /nfs/dbraw/zinc/04/40/59/571044059.db2.gz HAIHRDODRXYKOT-UHFFFAOYSA-N 1 0 358.869 3.527 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225625983 571050743 /nfs/dbraw/zinc/05/07/43/571050743.db2.gz CTSZYFRDWITRSD-QGZVFWFLSA-N 1 0 360.498 3.695 40 0 FHABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000030867627 571051997 /nfs/dbraw/zinc/05/19/97/571051997.db2.gz SABPNMJUZZHYGV-JZXOWHBKSA-N 1 0 366.933 3.982 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225644473 571052158 /nfs/dbraw/zinc/05/21/58/571052158.db2.gz IQEHSDMJHKWJAR-JOCHJYFZSA-N 1 0 374.525 3.941 40 0 FHABRO C[N@H+](CCc1ccccc1)Cc1ccccc1I ZINC000031946982 571056447 /nfs/dbraw/zinc/05/64/47/571056447.db2.gz INMSLMBPUUXSSS-UHFFFAOYSA-N 1 0 351.231 3.966 40 0 FHABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000225734198 571060499 /nfs/dbraw/zinc/06/04/99/571060499.db2.gz CMJFGQFUARNYRH-FQEVSTJZSA-N 1 0 350.503 3.797 40 0 FHABRO Cc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1 ZINC000225771813 571064515 /nfs/dbraw/zinc/06/45/15/571064515.db2.gz TVWTUECANJPRLD-UHFFFAOYSA-N 1 0 369.534 3.955 40 0 FHABRO CC(C)CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1 ZINC000035289765 571075924 /nfs/dbraw/zinc/07/59/24/571075924.db2.gz FJYVVHJBMJBGOO-YQQQUEKLSA-N 1 0 363.546 3.831 40 0 FHABRO c1ccc(Cn2c(SCC[NH+]3CCCC3)nnc2-c2cccnc2)cc1 ZINC000035314813 571076290 /nfs/dbraw/zinc/07/62/90/571076290.db2.gz PLOQPDGKPJDXCN-UHFFFAOYSA-N 1 0 365.506 3.576 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc2c1CCCC2 ZINC000225875025 571077238 /nfs/dbraw/zinc/07/72/38/571077238.db2.gz SVYJBZXBEDSVSS-LJQANCHMSA-N 1 0 358.526 3.715 40 0 FHABRO Cc1nccn1Cc1ccc(C(=O)NCCSc2ccccc2)cc1 ZINC000038836591 571087802 /nfs/dbraw/zinc/08/78/02/571087802.db2.gz VFBVNAVDKHVNCW-UHFFFAOYSA-N 1 0 351.475 3.762 40 0 FHABRO COc1ccccc1CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000044906697 571104448 /nfs/dbraw/zinc/10/44/48/571104448.db2.gz AHIMEWVLGOXXSO-UHFFFAOYSA-N 1 0 352.478 3.654 40 0 FHABRO CC(C)c1nc(N2Cc3ccccc3C(C)(C)C2)cc(NCCCO)[nH+]1 ZINC000328988481 571106362 /nfs/dbraw/zinc/10/63/62/571106362.db2.gz IHAAZFNDOMHTGU-UHFFFAOYSA-N 1 0 354.498 3.692 40 0 FHABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260740919 571121652 /nfs/dbraw/zinc/12/16/52/571121652.db2.gz ALPTYUYMOUNOGP-PGRDOPGGSA-N 1 0 372.553 3.961 40 0 FHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260812587 571123373 /nfs/dbraw/zinc/12/33/73/571123373.db2.gz HARNXYQCPWWREI-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO Cc1ccsc1CN1CC2(C1)OCC[C@@H]2COCc1csc(C)n1 ZINC000248015620 571127031 /nfs/dbraw/zinc/12/70/31/571127031.db2.gz HIDOPNYFYURVPL-OAHLLOKOSA-N 1 0 364.536 3.629 40 0 FHABRO Cc1ccsc1CN1Cc2ccnn2C[C@@H](OCc2csc(C)n2)C1 ZINC000248064963 571127574 /nfs/dbraw/zinc/12/75/74/571127574.db2.gz WQXITVHCRYNPOT-KRWDZBQOSA-N 1 0 374.535 3.619 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)C1 ZINC000089223462 571139327 /nfs/dbraw/zinc/13/93/27/571139327.db2.gz MQPWFPMDVIEVLT-OAHLLOKOSA-N 1 0 369.303 3.591 40 0 FHABRO Cc1c(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cnn1C ZINC000072375344 571185791 /nfs/dbraw/zinc/18/57/91/571185791.db2.gz KOBVDAIUYBPGEY-LJQANCHMSA-N 1 0 362.481 3.908 40 0 FHABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1n[nH]cc1-c1ccc(F)cc1 ZINC000072380342 571188013 /nfs/dbraw/zinc/18/80/13/571188013.db2.gz ZLSLRISDNXUXHG-LJQANCHMSA-N 1 0 370.472 3.755 40 0 FHABRO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072384265 571189066 /nfs/dbraw/zinc/18/90/66/571189066.db2.gz WFWYYZOHFXTYCF-QGZVFWFLSA-N 1 0 355.438 3.593 40 0 FHABRO Cn1cc([C@@H]2CN(Cc3ccc(F)cc3)C[C@H]2[NH+](C)C)c2ccccc21 ZINC000072395130 571190297 /nfs/dbraw/zinc/19/02/97/571190297.db2.gz BECKKCKQYAYKKJ-RBBKRZOGSA-N 1 0 351.469 3.847 40 0 FHABRO C[N@@H+]1CCC[C@]12CCCN(C(=O)CCCc1c[nH]c3ccccc13)CC2 ZINC000585100235 571221485 /nfs/dbraw/zinc/22/14/85/571221485.db2.gz IQRQUMRASFGCCS-JOCHJYFZSA-N 1 0 353.510 3.968 40 0 FHABRO O=C1CC[C@@]2(CCC[N@@H+](CC3CC(F)(F)C3)CC2)N1Cc1cncs1 ZINC000585100723 571221580 /nfs/dbraw/zinc/22/15/80/571221580.db2.gz USFUSGJWYRTPSX-QGZVFWFLSA-N 1 0 369.481 3.536 40 0 FHABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccncc3)CC2)N1Cc1ccc(F)cc1 ZINC000585099944 571221956 /nfs/dbraw/zinc/22/19/56/571221956.db2.gz ASXJCFSVDGMTEP-JOCHJYFZSA-N 1 0 367.468 3.768 40 0 FHABRO CC(C)C[N@@H+]1CC[C@]12CCCN(C(=O)COc1ccc3ccccc3c1)C2 ZINC000585102040 571222113 /nfs/dbraw/zinc/22/21/13/571222113.db2.gz ONRIYRNFAMBJOW-QHCPKHFHSA-N 1 0 366.505 3.942 40 0 FHABRO COc1cccc(C[NH+]2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 ZINC000585104427 571223898 /nfs/dbraw/zinc/22/38/98/571223898.db2.gz IKXFCYPEFVZUKK-FQEVSTJZSA-N 1 0 359.510 3.883 40 0 FHABRO COc1ccccc1Cc1cnc([C@H]2CCCN2c2cc(C)ncn2)o1 ZINC000585178799 571238049 /nfs/dbraw/zinc/23/80/49/571238049.db2.gz HUJMRFGCOSEKRI-QGZVFWFLSA-N 1 0 350.422 3.714 40 0 FHABRO Cc1cccc(Nc2cc([C@H]3CCC[N@@H+](Cc4cncn4C)C3)ccn2)n1 ZINC000585182508 571238141 /nfs/dbraw/zinc/23/81/41/571238141.db2.gz QONLNQAFBPFHII-SFHVURJKSA-N 1 0 362.481 3.642 40 0 FHABRO C[N@@H+]1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1ccccn1 ZINC000019712867 571304569 /nfs/dbraw/zinc/30/45/69/571304569.db2.gz DMDATSIWIZXJAX-FCEUIQTBSA-N 1 0 363.505 3.782 40 0 FHABRO Cc1cccc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@@H]3NC(=O)CCCC[C@H]32)n1 ZINC000019712095 571304711 /nfs/dbraw/zinc/30/47/11/571304711.db2.gz RWNPNKYGNLOFIR-VWPQPMDRSA-N 1 0 367.468 3.556 40 0 FHABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 ZINC000006629882 941153111 /nfs/dbraw/zinc/15/31/11/941153111.db2.gz SBXYDCCSIAIRMQ-UHFFFAOYSA-N 1 0 355.507 3.964 40 0 FHABRO Cn1c(CNc2ccc(Cl)cc2)nnc1SCC[NH+]1CCCCC1 ZINC000000906788 219338583 /nfs/dbraw/zinc/33/85/83/219338583.db2.gz FQOZTQPYGDCDIK-UHFFFAOYSA-N 1 0 365.934 3.659 40 0 FHABRO C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000224265919 222810174 /nfs/dbraw/zinc/81/01/74/222810174.db2.gz AUMVLAWHWLKFGS-QZTJIDSGSA-N 1 0 358.526 3.571 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCc3ccc(F)cc3)CC2)cc1 ZINC000224530701 222814746 /nfs/dbraw/zinc/81/47/46/222814746.db2.gz GBJKCAYMAHWALO-UHFFFAOYSA-N 1 0 354.469 3.705 40 0 FHABRO CC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225602340 222853974 /nfs/dbraw/zinc/85/39/74/222853974.db2.gz WRXUPVWGGBHFQZ-CBGDNZLLSA-N 1 0 362.514 3.797 40 0 FHABRO CO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225644086 222857354 /nfs/dbraw/zinc/85/73/54/222857354.db2.gz LGAXDMIVXQIKSE-NRFANRHFSA-N 1 0 360.498 3.695 40 0 FHABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCCC1 ZINC000225626325 222855926 /nfs/dbraw/zinc/85/59/26/222855926.db2.gz ZXTNDHBDJAHHLX-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO COC(=O)c1cccc2c[n+]3c(cc21)-c1[nH]c2cc(OC)ccc2c1CC3 ZINC000001702574 219416162 /nfs/dbraw/zinc/41/61/62/219416162.db2.gz AOYRRECTYMVUTP-UHFFFAOYSA-O 1 0 359.405 3.627 40 0 FHABRO C[NH+]1CCC(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000225799822 222869489 /nfs/dbraw/zinc/86/94/89/222869489.db2.gz WCYUQTGQZFCWQW-UHFFFAOYSA-N 1 0 351.825 3.739 40 0 FHABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)COc1cccc2c1CCCC2 ZINC000225875042 222877247 /nfs/dbraw/zinc/87/72/47/222877247.db2.gz SVYJBZXBEDSVSS-IBGZPJMESA-N 1 0 358.526 3.715 40 0 FHABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4cnccn4)C3)c2)cc1 ZINC000257223075 223025994 /nfs/dbraw/zinc/02/59/94/223025994.db2.gz DVUKGLIOMIYVMJ-KRWDZBQOSA-N 1 0 373.460 3.862 40 0 FHABRO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4ccnn4C)C3)cs2)nc1 ZINC000257238480 223033480 /nfs/dbraw/zinc/03/34/80/223033480.db2.gz HLDUUBAPBJSKTQ-HNNXBMFYSA-N 1 0 368.510 3.703 40 0 FHABRO COC(C)(C)C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257243633 223034952 /nfs/dbraw/zinc/03/49/52/223034952.db2.gz IHWATVZSJVTJNG-MRXSCTINSA-N 1 0 370.537 3.544 40 0 FHABRO C[NH+](C)Cc1cc([C@@H]2CCCN2C(=O)C2CCC(F)(F)CC2)ccn1 ZINC000257281845 223050258 /nfs/dbraw/zinc/05/02/58/223050258.db2.gz ORFHSEBYDLBCNQ-KRWDZBQOSA-N 1 0 351.441 3.632 40 0 FHABRO O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)[N@H+]2Cc2ccncc2)N1 ZINC000257295568 223055699 /nfs/dbraw/zinc/05/56/99/223055699.db2.gz QYWUZJMMODGPNU-AABGKKOBSA-N 1 0 353.441 3.595 40 0 FHABRO Cc1cccc(Nc2nccnc2[C@@H]2CCC[N@H+](CC3CCOCC3)C2)n1 ZINC000257306621 223058677 /nfs/dbraw/zinc/05/86/77/223058677.db2.gz SVBKVVVQELVXHS-GOSISDBHSA-N 1 0 367.497 3.530 40 0 FHABRO Cc1ncsc1C[N@H+]1CCN(C)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257339763 223071617 /nfs/dbraw/zinc/07/16/17/223071617.db2.gz ZDBVNCJEHIXHHG-KRWDZBQOSA-N 1 0 366.534 3.606 40 0 FHABRO O=C(c1ccsc1)N1C[C@]2(CC[N@H+](Cc3ccoc3)C2)c2ncccc21 ZINC000306125838 223106557 /nfs/dbraw/zinc/10/65/57/223106557.db2.gz DDMDOYMIOFHGLS-HXUWFJFHSA-N 1 0 365.458 3.540 40 0 FHABRO Fc1ccccc1C[N@@H+]1CC[C@]2(CN(Cc3cccnc3)c3cccnc32)C1 ZINC000306138575 223111614 /nfs/dbraw/zinc/11/16/14/223111614.db2.gz SAZFRXITENAZET-HSZRJFAPSA-N 1 0 374.463 3.780 40 0 FHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@@H]3CCc4ccccc43)cc12 ZINC000012186423 219964167 /nfs/dbraw/zinc/96/41/67/219964167.db2.gz SXPPSEZERVXURQ-OAQYLSRUSA-N 1 0 370.456 3.799 40 0 FHABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(Br)cc2)C1 ZINC000013613765 220079210 /nfs/dbraw/zinc/07/92/10/220079210.db2.gz FOFNIRKYJOUSMY-OKILXGFUSA-N 1 0 353.304 3.547 40 0 FHABRO CC1CC[NH+](CCCNC(=O)CSCc2cccc(Cl)c2)CC1 ZINC000013669502 220081662 /nfs/dbraw/zinc/08/16/62/220081662.db2.gz XEDDVLUOHDNVEG-UHFFFAOYSA-N 1 0 354.947 3.811 40 0 FHABRO CC[NH+](CC)CCn1c(Cc2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000016958508 220198022 /nfs/dbraw/zinc/19/80/22/220198022.db2.gz MOMSSMMOZKDJLQ-UHFFFAOYSA-N 1 0 367.493 3.986 40 0 FHABRO COc1cccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019019467 220232933 /nfs/dbraw/zinc/23/29/33/220232933.db2.gz ATZBSPUCXIUUNX-NJDAHSKKSA-N 1 0 370.518 3.593 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(C)=O)cc1 ZINC000019019508 220233242 /nfs/dbraw/zinc/23/32/42/220233242.db2.gz BJCVDNXXEDTFED-ACRUOGEOSA-N 1 0 370.518 3.593 40 0 FHABRO CC(C)(C)c1[nH]c2ncccc2c1C[N@@H+]1CCC[C@H](CN2CCCC2=O)C1 ZINC000019083452 220235064 /nfs/dbraw/zinc/23/50/64/220235064.db2.gz ONOAONLLJCRSNA-INIZCTEOSA-N 1 0 368.525 3.695 40 0 FHABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019081993 220235478 /nfs/dbraw/zinc/23/54/78/220235478.db2.gz CTSCWYPRJHWGPV-UYAOXDASSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](C)Cc2ccc3c(c2)OCO3)on1 ZINC000019120503 220238219 /nfs/dbraw/zinc/23/82/19/220238219.db2.gz HKMQGNJHBULSIX-UCLAIMLFSA-N 1 0 356.466 3.891 40 0 FHABRO Cc1ccc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)s1 ZINC000019217056 220240898 /nfs/dbraw/zinc/24/08/98/220240898.db2.gz RYCGETUHSQNCRD-ZHALLVOQSA-N 1 0 358.482 3.898 40 0 FHABRO Cc1ccsc1C[N@H+](CCCN1CCOCC1)Cc1ccsc1 ZINC000019238589 220243265 /nfs/dbraw/zinc/24/32/65/220243265.db2.gz VFHXSQGKTPVKMT-UHFFFAOYSA-N 1 0 350.553 3.843 40 0 FHABRO Clc1cccc(CN2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1Cl ZINC000019292619 220245402 /nfs/dbraw/zinc/24/54/02/220245402.db2.gz SMURKOJPGVZTQR-MRXNPFEDSA-N 1 0 363.292 3.766 40 0 FHABRO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)no1)N1CCCC1 ZINC000019334019 220251069 /nfs/dbraw/zinc/25/10/69/220251069.db2.gz GULACEZZPBRNHM-MRXNPFEDSA-N 1 0 373.884 3.944 40 0 FHABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCC2)CC1)[C@H]1CCCO1 ZINC000019369203 220252326 /nfs/dbraw/zinc/25/23/26/220252326.db2.gz LELXOLLQAHEFQB-FCHUYYIVSA-N 1 0 370.537 3.720 40 0 FHABRO C[C@@H](Cc1ccccn1)[N@H+](C)Cc1c2cccnc2[nH]c1[C@@H]1CCCO1 ZINC000019456954 220258030 /nfs/dbraw/zinc/25/80/30/220258030.db2.gz XRFUCHNCDXNMCH-KXBFYZLASA-N 1 0 350.466 3.872 40 0 FHABRO CCC[C@@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000019501873 220263215 /nfs/dbraw/zinc/26/32/15/220263215.db2.gz NOMZDXQKBZKFOS-IBGZPJMESA-N 1 0 360.550 3.580 40 0 FHABRO C[C@@H]1Cc2cc([C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497832 220263562 /nfs/dbraw/zinc/26/35/62/220263562.db2.gz DJGIJPOUZSNHIL-ZHRRBRCNSA-N 1 0 364.489 3.540 40 0 FHABRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(OC)c1 ZINC000019527214 220268757 /nfs/dbraw/zinc/26/87/57/220268757.db2.gz APBQJIKDUCKRJY-FQEVSTJZSA-N 1 0 369.509 3.585 40 0 FHABRO CCc1ncc(CN2CCCCC[C@H]3[NH2+]C[C@@H](c4ccccc4)[C@@H]32)cn1 ZINC000019523421 220266901 /nfs/dbraw/zinc/26/69/01/220266901.db2.gz DRDNVVWEPYRUMD-VWPQPMDRSA-N 1 0 350.510 3.539 40 0 FHABRO COc1cc2c(cc1OC)[C@@H](c1ccccc1)[N@H+](CC1=CCCOC1)CC2 ZINC000019550679 220270633 /nfs/dbraw/zinc/27/06/33/220270633.db2.gz LOSMBJLOBOMSKA-HSZRJFAPSA-N 1 0 365.473 3.998 40 0 FHABRO COc1ccccc1C[N@H+]1C[C@@H](c2ccc(F)cc2)[C@H](c2cc[nH]n2)C1 ZINC000019570733 220274259 /nfs/dbraw/zinc/27/42/59/220274259.db2.gz QPAOHWPKPCVEMQ-RBUKOAKNSA-N 1 0 351.425 3.941 40 0 FHABRO COc1ccccc1[C@]1(O)CCC[C@@H]2C[N@H+](Cc3cccc(O)c3)C[C@@H]21 ZINC000019569224 220274724 /nfs/dbraw/zinc/27/47/24/220274724.db2.gz LZHQUJSFDRRAFA-PIPMEXSNSA-N 1 0 353.462 3.521 40 0 FHABRO C[N@@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)Cc1ccc(F)cc1 ZINC000019589234 220277499 /nfs/dbraw/zinc/27/74/99/220277499.db2.gz CUMLGBCTGGAKLE-KCZVDYSFSA-N 1 0 370.443 3.596 40 0 FHABRO Cc1c(-c2cncn2CC[N@@H+](C)C2CCCC2)cnn1Cc1ccccc1 ZINC000019720038 220292256 /nfs/dbraw/zinc/29/22/56/220292256.db2.gz FOFVIIDBZDRQAO-UHFFFAOYSA-N 1 0 363.509 3.978 40 0 FHABRO Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000019658652 220284217 /nfs/dbraw/zinc/28/42/17/220284217.db2.gz PASZRYHNDAGLNI-QGZVFWFLSA-N 1 0 361.486 3.764 40 0 FHABRO CC1(NC(=O)c2ccc([C@@H]3CCC[N@H+](Cc4ccccn4)C3)nc2)CCC1 ZINC000019705790 220285321 /nfs/dbraw/zinc/28/53/21/220285321.db2.gz PQABGEBZENLLDO-GOSISDBHSA-N 1 0 364.493 3.529 40 0 FHABRO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC1CC[NH+](C2CCCCC2)CC1 ZINC000019748306 220293384 /nfs/dbraw/zinc/29/33/84/220293384.db2.gz DOJDGZNGTAAIHC-INIZCTEOSA-N 1 0 374.573 3.519 40 0 FHABRO CC(C)(C)[C@@H]1CCc2onc(C(=O)N3CCC([NH+]4CCCC4)CC3)c2C1 ZINC000019715624 220290072 /nfs/dbraw/zinc/29/00/72/220290072.db2.gz FBPKUELOFYCLFN-OAHLLOKOSA-N 1 0 359.514 3.526 40 0 FHABRO C[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000019718294 220290673 /nfs/dbraw/zinc/29/06/73/220290673.db2.gz ZLVKRNPYTAIIGD-INIZCTEOSA-N 1 0 360.461 3.511 40 0 FHABRO CC(C)c1nnc(NC(=O)CC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000019748755 220293871 /nfs/dbraw/zinc/29/38/71/220293871.db2.gz MJCKYHDKEVYLOR-UHFFFAOYSA-N 1 0 372.538 3.945 40 0 FHABRO COc1ccc(S[C@@H](C)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000020109157 220313161 /nfs/dbraw/zinc/31/31/61/220313161.db2.gz VOMXXWGXVLMCSP-INIZCTEOSA-N 1 0 350.528 3.558 40 0 FHABRO COC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020044544 220310206 /nfs/dbraw/zinc/31/02/06/220310206.db2.gz XZSSGQYJHMLEDV-UHFFFAOYSA-N 1 0 366.461 3.957 40 0 FHABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc2)C1 ZINC000020490482 220328990 /nfs/dbraw/zinc/32/89/90/220328990.db2.gz SNFPUROPGGJRBV-MRXNPFEDSA-N 1 0 366.461 3.942 40 0 FHABRO C[C@@H](CNC(=O)c1cccc(OCc2ccccc2Cl)c1)C[NH+](C)C ZINC000022258300 220381740 /nfs/dbraw/zinc/38/17/40/220381740.db2.gz JPSWDGDWJYAGSW-HNNXBMFYSA-N 1 0 360.885 3.847 40 0 FHABRO CC[C@H](C)[NH2+][C@H]1CC2(CCN(c3ncccn3)CC2)Oc2ccccc21 ZINC000096242794 132223987 /nfs/dbraw/zinc/22/39/87/132223987.db2.gz GAIUIXIDXPVBKL-WMZOPIPTSA-N 1 0 352.482 3.728 40 0 FHABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CC2)[nH+]1 ZINC000328979194 132372116 /nfs/dbraw/zinc/37/21/16/132372116.db2.gz GEIDQIJDFKNOSR-UHFFFAOYSA-N 1 0 359.271 3.685 40 0 FHABRO c1ccc(Cc2nc3sc4c(c3c(N3CC[NH2+]CC3)n2)CCCC4)cc1 ZINC000013998077 132872279 /nfs/dbraw/zinc/87/22/79/132872279.db2.gz UNSOHBUBRPUVJL-UHFFFAOYSA-N 1 0 364.518 3.571 40 0 FHABRO Cc1ccsc1C[NH+]1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096106778 222024891 /nfs/dbraw/zinc/02/48/91/222024891.db2.gz WOTYUTFDFRUPTO-SFHVURJKSA-N 1 0 358.507 3.792 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cc1 ZINC000096106688 222025310 /nfs/dbraw/zinc/02/53/10/222025310.db2.gz NFHKUMSXRVXOSM-NRFANRHFSA-N 1 0 359.510 3.562 40 0 FHABRO O=C(c1cscn1)N1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC000096070996 222012746 /nfs/dbraw/zinc/01/27/46/222012746.db2.gz ZIWCALCULKVOHS-UHFFFAOYSA-N 1 0 361.898 3.535 40 0 FHABRO Cc1ccc(C[N@@H+]2CC[C@]3(C2)c2ccccc2N(CC2CC2)C3=O)s1 ZINC000096100327 222021926 /nfs/dbraw/zinc/02/19/26/222021926.db2.gz WLYNLTSMGMRWLD-NRFANRHFSA-N 1 0 352.503 3.957 40 0 FHABRO [NH3+]C[C@@H]1CCC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)CO1 ZINC000096157042 222058672 /nfs/dbraw/zinc/05/86/72/222058672.db2.gz UHRYABRLKODCGX-SFHVURJKSA-N 1 0 370.518 3.775 40 0 FHABRO CN(C)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccoc3)CC2)c2ccccc21 ZINC000096161224 222061201 /nfs/dbraw/zinc/06/12/01/222061201.db2.gz HZBRGOCUZVKNTI-GOSISDBHSA-N 1 0 352.478 3.779 40 0 FHABRO Cc1cccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c1 ZINC000096215421 222080054 /nfs/dbraw/zinc/08/00/54/222080054.db2.gz JGFCKIPIEQYGFH-QFIPXVFZSA-N 1 0 371.525 3.741 40 0 FHABRO c1csc(C[NH+]2CCC3(CO[C@H](COCc4ccccn4)C3)CC2)c1 ZINC000096218290 222081402 /nfs/dbraw/zinc/08/14/02/222081402.db2.gz FNRWBUHJLMEJSQ-SFHVURJKSA-N 1 0 358.507 3.731 40 0 FHABRO Cc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(C)n2)C3)c(C)o1 ZINC000096216199 222082768 /nfs/dbraw/zinc/08/27/68/222082768.db2.gz DXCBLYVVOFCGSC-QFIPXVFZSA-N 1 0 367.493 3.728 40 0 FHABRO C[NH+](C)C[C@@H]1CCC[C@]2(CCN(C(=O)c3cc4ccccc4s3)C2)O1 ZINC000096219006 222084477 /nfs/dbraw/zinc/08/44/77/222084477.db2.gz CYCWDMUYFMZMNG-OXJNMPFZSA-N 1 0 358.507 3.617 40 0 FHABRO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000039741420 263399527 /nfs/dbraw/zinc/39/95/27/263399527.db2.gz SHWDBIJCYVJTIZ-UHFFFAOYSA-N 1 0 366.461 3.632 40 0 FHABRO Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)c2nccc3ccccc32)n1 ZINC000257226945 534127119 /nfs/dbraw/zinc/12/71/19/534127119.db2.gz FMXNCOBGZPIQNU-LJQANCHMSA-N 1 0 371.444 3.953 40 0 FHABRO CC(C)(C)OC(=O)N1CC[C@@H](C[NH2+]Cc2ccccc2Br)C1 ZINC000089223548 518813775 /nfs/dbraw/zinc/81/37/75/518813775.db2.gz VNTVJPZTUAGEGX-ZDUSSCGKSA-N 1 0 369.303 3.796 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306135034 534516906 /nfs/dbraw/zinc/51/69/06/534516906.db2.gz OFJYNVBZIDFYAS-FQEVSTJZSA-N 1 0 369.465 3.926 40 0 FHABRO Fc1cccc(C[N@@H+]2CC[C@@]3(CN(Cc4cccnc4)c4cccnc43)C2)c1 ZINC000306132516 534517040 /nfs/dbraw/zinc/51/70/40/534517040.db2.gz LLEYJPPMVHRGTQ-QHCPKHFHSA-N 1 0 374.463 3.780 40 0 FHABRO O=C(Cc1cccs1)N1CCC[C@@H]1c1ccc(C[NH+]2CCCC2)cn1 ZINC000257206654 534736332 /nfs/dbraw/zinc/73/63/32/534736332.db2.gz BEKFLCVDJIFDIE-LJQANCHMSA-N 1 0 355.507 3.645 40 0 FHABRO CC1CCN(c2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cc2)CC1 ZINC000019715644 535283560 /nfs/dbraw/zinc/28/35/60/535283560.db2.gz YMENNDJJOBGNQI-UHFFFAOYSA-N 1 0 355.526 3.623 40 0 FHABRO CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cc[nH+]cc1 ZINC000222818543 568567207 /nfs/dbraw/zinc/56/72/07/568567207.db2.gz DUGVFTPLYIFLSJ-RTBURBONSA-N 1 0 363.490 3.648 40 0 FHABRO O=C(NCCSC1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000223336479 568641825 /nfs/dbraw/zinc/64/18/25/568641825.db2.gz PKKTYSZRHXMNAN-QGZVFWFLSA-N 1 0 364.530 3.830 40 0 FHABRO COc1ccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccc(F)cc4)C3)C2)cc1 ZINC000096047626 570473804 /nfs/dbraw/zinc/47/38/04/570473804.db2.gz VODNQTIRZLLDHJ-CTNGQTDRSA-N 1 0 356.441 3.680 40 0 FHABRO CC(=O)N1CCC[C@H]([NH2+]Cc2cccc(F)c2)[C@@H]1Cc1cccc(C)c1 ZINC000585285787 570494473 /nfs/dbraw/zinc/49/44/73/570494473.db2.gz MSQPYTNVPLDYLX-VXKWHMMOSA-N 1 0 354.469 3.846 40 0 FHABRO COc1ccccc1C[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O ZINC000585289531 570495508 /nfs/dbraw/zinc/49/55/08/570495508.db2.gz RDENDNUVVDNHAV-DFQSSKMNSA-N 1 0 361.869 3.799 40 0 FHABRO O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000585290500 570495937 /nfs/dbraw/zinc/49/59/37/570495937.db2.gz XFKGOLHRBBENLN-XUVXKRRUSA-N 1 0 363.860 3.972 40 0 FHABRO CC(C)(C)C1CCC(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC1 ZINC000001470037 570500955 /nfs/dbraw/zinc/50/09/55/570500955.db2.gz AVIBQUGXCYWJEA-AVAKVYKDSA-N 1 0 369.590 3.983 40 0 FHABRO c1cc2cc3c(cc2cc1C[C@@H]1[NH2+]CCc2cc4c(cc21)OCO4)OCO3 ZINC000001564842 570501806 /nfs/dbraw/zinc/50/18/06/570501806.db2.gz IGJNEBWJSQFDNV-SFHVURJKSA-N 1 0 361.397 3.727 40 0 FHABRO CCCC(=O)N(C)C1=Nc2ccc(Cl)cc2C(c2ccccc2)[N+](=O)C1 ZINC000001677761 570504563 /nfs/dbraw/zinc/50/45/63/570504563.db2.gz XSBANHHFPNZHDT-UHFFFAOYSA-N 1 0 369.852 3.990 40 0 FHABRO Cc1ccc(F)c(C[NH+]2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)c1 ZINC000108531920 570526801 /nfs/dbraw/zinc/52/68/01/570526801.db2.gz SHOOHWXJWPSYAL-GOSISDBHSA-N 1 0 370.472 3.550 40 0 FHABRO CCCC[N@H+](C[C@H](O)CNc1cc(OC)cc2cccnc21)[C@@H](C)CC ZINC000004522423 570594934 /nfs/dbraw/zinc/59/49/34/570594934.db2.gz RVIXLFBINVXPGJ-FUHWJXTLSA-N 1 0 359.514 3.917 40 0 FHABRO CC[NH+](CC)CCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1 ZINC000005572635 570631293 /nfs/dbraw/zinc/63/12/93/570631293.db2.gz UYSJKNPEQDSIDR-UHFFFAOYSA-N 1 0 369.534 3.545 40 0 FHABRO COc1cc2ccc(C)nc2c(NC[C@@H](O)C[NH+](CC(C)C)CC(C)C)c1 ZINC000005931180 570638691 /nfs/dbraw/zinc/63/86/91/570638691.db2.gz VPPTWHKMIRXDDL-LJQANCHMSA-N 1 0 373.541 3.939 40 0 FHABRO Cc1ccc2c(n[nH]c2NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)n1 ZINC000035322725 570642612 /nfs/dbraw/zinc/64/26/12/570642612.db2.gz OEDPGAHSXLJQJI-GOSISDBHSA-N 1 0 363.465 3.678 40 0 FHABRO CCOc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254005 570678961 /nfs/dbraw/zinc/67/89/61/570678961.db2.gz QTHRDOIHIKAEOC-CYBMUJFWSA-N 1 0 367.848 3.927 40 0 FHABRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 ZINC000008326296 570680262 /nfs/dbraw/zinc/68/02/62/570680262.db2.gz MBXWMTFETJIBKG-HNNXBMFYSA-N 1 0 367.848 3.927 40 0 FHABRO Cc1cc(C)cc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000008430012 570681550 /nfs/dbraw/zinc/68/15/50/570681550.db2.gz PGCNIAHMPZKZEN-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO O=C(COc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008429917 570681610 /nfs/dbraw/zinc/68/16/10/570681610.db2.gz TVJVOKRECLCBJP-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1 ZINC000036739994 570698249 /nfs/dbraw/zinc/69/82/49/570698249.db2.gz BEHBBQOBFMKGLB-WTOYTKOKSA-N 1 0 368.452 3.514 40 0 FHABRO Cc1ccccc1C1(O)CC[NH+](Cc2c[nH]nc2-c2ccc(O)cc2)CC1 ZINC000012116817 570719824 /nfs/dbraw/zinc/71/98/24/570719824.db2.gz AORAUALJAMYVPA-UHFFFAOYSA-N 1 0 363.461 3.574 40 0 FHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000012119254 570720253 /nfs/dbraw/zinc/72/02/53/570720253.db2.gz QYAWVMGXGZWVDK-GOSISDBHSA-N 1 0 362.429 3.707 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1nccs1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000012133638 570720678 /nfs/dbraw/zinc/72/06/78/570720678.db2.gz UAAJTKDXVKSODU-KRWDZBQOSA-N 1 0 372.538 3.654 40 0 FHABRO Cc1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+][C@H]3CCc4ccccc43)cc12 ZINC000012186425 570724694 /nfs/dbraw/zinc/72/46/94/570724694.db2.gz SXPPSEZERVXURQ-NRFANRHFSA-N 1 0 370.456 3.799 40 0 FHABRO Cc1cc2nc([C@@H]3CCC[N@@H+](CC[C@@H](C)c4ccccc4)C3)cc(N)n2n1 ZINC000012185932 570724956 /nfs/dbraw/zinc/72/49/56/570724956.db2.gz UVGASQWPSILMPX-VQIMIIECSA-N 1 0 363.509 3.993 40 0 FHABRO Cc1nc2ccc(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)cc2s1 ZINC000012198440 570726699 /nfs/dbraw/zinc/72/66/99/570726699.db2.gz URRGYKPVCTVHSS-QGZVFWFLSA-N 1 0 357.454 3.777 40 0 FHABRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1csc(Nc2cccc(C)c2)n1 ZINC000012239732 570730331 /nfs/dbraw/zinc/73/03/31/570730331.db2.gz FCBSPUKWGRJTFZ-INIZCTEOSA-N 1 0 372.538 3.728 40 0 FHABRO C[NH+](C)CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2cccs2)n1 ZINC000012325636 570736792 /nfs/dbraw/zinc/73/67/92/570736792.db2.gz CFPLSSLDDJNSAH-UHFFFAOYSA-N 1 0 368.462 3.574 40 0 FHABRO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]CC2=CCCOC2)cc1OC ZINC000012329299 570737395 /nfs/dbraw/zinc/73/73/95/570737395.db2.gz WWULQMSBMWWTIV-UBBRYJJRSA-N 1 0 357.494 3.912 40 0 FHABRO c1cc(-c2ccc(-c3noc(C[NH+]4C[C@H]5CCCC[C@@H]5C4)n3)cc2)ncn1 ZINC000012337232 570737868 /nfs/dbraw/zinc/73/78/68/570737868.db2.gz NKSLZXCUSANDCP-QZTJIDSGSA-N 1 0 361.449 3.816 40 0 FHABRO Cc1nccc(-c2ccc(-c3noc(C[NH+]4C[C@H](C)C[C@@H](C)C4)n3)cc2)n1 ZINC000012337095 570737905 /nfs/dbraw/zinc/73/79/05/570737905.db2.gz JZXQZQOVXPWKTO-HUUCEWRRSA-N 1 0 363.465 3.980 40 0 FHABRO O=C(CSCc1ccccc1Cl)NCCC[NH+]1CCCCCC1 ZINC000013646314 570782155 /nfs/dbraw/zinc/78/21/55/570782155.db2.gz SHRVFZDYMDWUQQ-UHFFFAOYSA-N 1 0 354.947 3.956 40 0 FHABRO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009062738 570797330 /nfs/dbraw/zinc/79/73/30/570797330.db2.gz UPAOBEXWSQTBBR-MRXNPFEDSA-N 1 0 370.468 3.924 40 0 FHABRO CC[NH2+][C@H]1CN(C(=O)CCCOc2ccc(OC)cc2)C2(C1)CCCCC2 ZINC000019703993 570857622 /nfs/dbraw/zinc/85/76/22/570857622.db2.gz IUDGNNVLEGTNSE-GOSISDBHSA-N 1 0 374.525 3.768 40 0 FHABRO Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1N1CCCCC1 ZINC000019714048 570899422 /nfs/dbraw/zinc/89/94/22/570899422.db2.gz AVSNGPGUIOQWFU-UHFFFAOYSA-N 1 0 357.542 3.789 40 0 FHABRO CC(C)Oc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000024189669 570972785 /nfs/dbraw/zinc/97/27/85/570972785.db2.gz ONXZTXNCZDIXMC-UHFFFAOYSA-N 1 0 352.478 4.000 40 0 FHABRO CCOc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000224516925 570991735 /nfs/dbraw/zinc/99/17/35/570991735.db2.gz SETPCMSNISULOK-UHFFFAOYSA-N 1 0 352.478 3.920 40 0 FHABRO COCc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000224527701 570992390 /nfs/dbraw/zinc/99/23/90/570992390.db2.gz NKDHKKRDBZGXNZ-UHFFFAOYSA-N 1 0 352.478 3.992 40 0 FHABRO COc1ccc(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1C ZINC000224536602 570992811 /nfs/dbraw/zinc/99/28/11/570992811.db2.gz BILTYIYWBCCYFO-UHFFFAOYSA-N 1 0 366.505 3.848 40 0 FHABRO Cc1cc(C)c(C)c(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000224618282 570994884 /nfs/dbraw/zinc/99/48/84/570994884.db2.gz XZQYWLZGPZINON-UHFFFAOYSA-N 1 0 366.505 3.903 40 0 FHABRO CC[C@H](Oc1ccccc1F)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224626990 570995683 /nfs/dbraw/zinc/99/56/83/570995683.db2.gz YVRIBTFTGGBLFA-FQEVSTJZSA-N 1 0 370.468 3.895 40 0 FHABRO Cc1ccc(C)c(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000224783025 571000858 /nfs/dbraw/zinc/00/08/58/571000858.db2.gz DSHCLCDGQRDLOO-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO O=C(CSCc1ccccc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800092 571001443 /nfs/dbraw/zinc/00/14/43/571001443.db2.gz DEHCLYRIVYCTAA-UHFFFAOYSA-N 1 0 372.509 3.971 40 0 FHABRO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1C ZINC000224851121 571002826 /nfs/dbraw/zinc/00/28/26/571002826.db2.gz RQDITZONRRJVGN-UHFFFAOYSA-N 1 0 366.505 3.848 40 0 FHABRO C[C@@H]1C[C@@H](C)C[NH+](CCNC(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000224979326 571008370 /nfs/dbraw/zinc/00/83/70/571008370.db2.gz IWRPOGDZLVBZHH-RTBURBONSA-N 1 0 350.506 3.990 40 0 FHABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 ZINC000224989080 571009382 /nfs/dbraw/zinc/00/93/82/571009382.db2.gz DRVHXZLGESVDJA-HOTGVXAUSA-N 1 0 366.933 3.982 40 0 FHABRO CCOc1ccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CC)cc1OCC ZINC000225063919 571012619 /nfs/dbraw/zinc/01/26/19/571012619.db2.gz RSTHJPPXVXRGFJ-SFHVURJKSA-N 1 0 362.514 3.868 40 0 FHABRO COc1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OC ZINC000039761934 571023639 /nfs/dbraw/zinc/02/36/39/571023639.db2.gz LXTUGJDHMABMGB-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO COC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCCC1 ZINC000225626159 571050769 /nfs/dbraw/zinc/05/07/69/571050769.db2.gz PBHMYAGEXLXRIQ-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225644336 571052263 /nfs/dbraw/zinc/05/22/63/571052263.db2.gz NJVDKDOLYZQTER-OAQYLSRUSA-N 1 0 360.498 3.695 40 0 FHABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225671802 571054423 /nfs/dbraw/zinc/05/44/23/571054423.db2.gz GKESHVUWSYLWIX-NRFANRHFSA-N 1 0 360.498 3.695 40 0 FHABRO Cc1ccc(OCC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C ZINC000032462286 571057791 /nfs/dbraw/zinc/05/77/91/571057791.db2.gz UFYWLBRDOQXFJW-UHFFFAOYSA-N 1 0 352.478 3.594 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000225723279 571059205 /nfs/dbraw/zinc/05/92/05/571059205.db2.gz YNFOJRDNCHQYMO-NRFANRHFSA-N 1 0 360.498 3.695 40 0 FHABRO CCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1)C1CC1 ZINC000225723976 571059640 /nfs/dbraw/zinc/05/96/40/571059640.db2.gz LUXFOMYVNOEQHB-NRFANRHFSA-N 1 0 360.498 3.695 40 0 FHABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2cccc(Br)c2)C1 ZINC000225735601 571060426 /nfs/dbraw/zinc/06/04/26/571060426.db2.gz LUQZEPJJLKQWLS-ZDUSSCGKSA-N 1 0 370.360 3.858 40 0 FHABRO Cn1c2ccccc2nc1C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000036753023 571081878 /nfs/dbraw/zinc/08/18/78/571081878.db2.gz PJSVDKMZZISKCI-MRXNPFEDSA-N 1 0 359.477 3.904 40 0 FHABRO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038832936 571086671 /nfs/dbraw/zinc/08/66/71/571086671.db2.gz MKZQSSZOHVPUPI-IBGZPJMESA-N 1 0 356.897 3.911 40 0 FHABRO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038832935 571086682 /nfs/dbraw/zinc/08/66/82/571086682.db2.gz MKZQSSZOHVPUPI-LJQANCHMSA-N 1 0 356.897 3.911 40 0 FHABRO COc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038848813 571087740 /nfs/dbraw/zinc/08/77/40/571087740.db2.gz YYFTXJSOXGETMZ-GOSISDBHSA-N 1 0 372.896 3.877 40 0 FHABRO CCc1ccccc1NC(=S)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044221958 571101454 /nfs/dbraw/zinc/10/14/54/571101454.db2.gz NXRJLSKKIBLRIA-UHFFFAOYSA-N 1 0 354.523 3.595 40 0 FHABRO Cc1cccc(NC(=S)NC2CC[NH+](Cc3ccccn3)CC2)c1C ZINC000044222097 571101512 /nfs/dbraw/zinc/10/15/12/571101512.db2.gz BLZHGJHSFWXVRN-UHFFFAOYSA-N 1 0 354.523 3.649 40 0 FHABRO Cc1cc(C)cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000044873141 571103462 /nfs/dbraw/zinc/10/34/62/571103462.db2.gz VQXWYOLCEDMIAA-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCN(C)c3ccccc3)cc2)C1 ZINC000044916932 571104974 /nfs/dbraw/zinc/10/49/74/571104974.db2.gz MRZKCADAHLSHCG-IBGZPJMESA-N 1 0 365.521 3.785 40 0 FHABRO CC(C)C[N@H+](C(c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000575422269 571149854 /nfs/dbraw/zinc/14/98/54/571149854.db2.gz UKPALTDGINZVAY-FQEVSTJZSA-N 1 0 357.519 3.921 40 0 FHABRO Cc1nc(=O)c2cc(Cl)ccc2n1C1=CC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC000072348330 571179924 /nfs/dbraw/zinc/17/99/24/571179924.db2.gz PZXJUQOTLJAWQN-KRWDZBQOSA-N 1 0 371.868 3.598 40 0 FHABRO COCC[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358509 571183560 /nfs/dbraw/zinc/18/35/60/571183560.db2.gz BXYLYBPDOPCOEB-HNNXBMFYSA-N 1 0 365.399 3.988 40 0 FHABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1 ZINC000072376861 571185968 /nfs/dbraw/zinc/18/59/68/571185968.db2.gz HKQSPLVJSPBWQH-IBGZPJMESA-N 1 0 363.440 3.987 40 0 FHABRO COc1ccc([C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395160 571190257 /nfs/dbraw/zinc/19/02/57/571190257.db2.gz MAWSCDQQBJJIAS-VQTJNVASSA-N 1 0 351.425 3.941 40 0 FHABRO O=c1cc(C2CC[NH+](Cc3cccs3)CC2)nc(-c2ccccn2)[nH]1 ZINC000072392819 571190325 /nfs/dbraw/zinc/19/03/25/571190325.db2.gz DWOKWWYOPXPLQP-UHFFFAOYSA-N 1 0 352.463 3.685 40 0 FHABRO COc1ccc2c(c1)c([C@@H]1CN(Cc3ccsc3)C[C@H]1[NH+](C)C)cn2C ZINC000072395504 571190895 /nfs/dbraw/zinc/19/08/95/571190895.db2.gz CTSVOFHQLSFRSL-PZJWPPBQSA-N 1 0 369.534 3.778 40 0 FHABRO O=C(c1ccc2ccccc2c1)N1CCC[C@@]2(CC[N@@H+]2C[C@H]2CCCO2)C1 ZINC000585101758 571222103 /nfs/dbraw/zinc/22/21/03/571222103.db2.gz DWYRCNGAGPJNNT-FYYLOGMGSA-N 1 0 364.489 3.699 40 0 FHABRO Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)o1 ZINC000585109750 571225150 /nfs/dbraw/zinc/22/51/50/571225150.db2.gz OVSZACDDIAFRRS-JAXLGGSGSA-N 1 0 373.456 3.683 40 0 FHABRO CNC(=O)c1cnc(C2(C)CC[NH+](Cc3c[nH]c4ccccc34)CC2)s1 ZINC000585182402 571238431 /nfs/dbraw/zinc/23/84/31/571238431.db2.gz JDTGQIUQBHEJRH-UHFFFAOYSA-N 1 0 368.506 3.538 40 0 FHABRO c1ccc(C[N@H+]2C[C@H]3CN(c4ccc(-c5ccccc5)nn4)C[C@H]3C2)cc1 ZINC000045336950 571277629 /nfs/dbraw/zinc/27/76/29/571277629.db2.gz NIIUQUJQUMJFFK-OYRHEFFESA-N 1 0 356.473 3.712 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc1 ZINC000247902106 571290921 /nfs/dbraw/zinc/29/09/21/571290921.db2.gz BEHBBQOBFMKGLB-BULFRSBZSA-N 1 0 368.452 3.514 40 0 FHABRO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCCCC[C@H]1c1ccn(C)n1 ZINC000248094239 571291079 /nfs/dbraw/zinc/29/10/79/571291079.db2.gz CUCHGCHVFURNDD-LPHOPBHVSA-N 1 0 355.482 3.945 40 0 FHABRO CCOC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010332472 571303101 /nfs/dbraw/zinc/30/31/01/571303101.db2.gz CAMDOVMCTZLECW-UHFFFAOYSA-N 1 0 352.434 3.711 40 0 FHABRO C[C@H](CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(-c3ccccn3)n2)C1)c1ccccc1 ZINC000019455606 571303923 /nfs/dbraw/zinc/30/39/23/571303923.db2.gz NBDFZZHBQPJTOU-IEBWSBKVSA-N 1 0 374.488 3.815 40 0 FHABRO C[C@H](Cc1ccccc1F)[N@@H+]1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019456893 571304077 /nfs/dbraw/zinc/30/40/77/571304077.db2.gz RAMNQILXCKTTEZ-ZHRRBRCNSA-N 1 0 352.453 3.577 40 0 FHABRO C[C@]12C[C@@H](c3ccccc3)N(C(=O)Cc3ccccn3)[C@H]1CCCCC[NH2+]2 ZINC000019713505 571304767 /nfs/dbraw/zinc/30/47/67/571304767.db2.gz VGYWGNSSRYMKKB-FUDKSRODSA-N 1 0 363.505 3.889 40 0 FHABRO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCC[NH2+]C2)n1 ZINC000257207626 529806133 /nfs/dbraw/zinc/80/61/33/529806133.db2.gz BINRWFNOTWHGIG-ZDUSSCGKSA-N 1 0 350.388 3.695 40 0 FHABRO C[N@@H+]1CCC[C@@H]2N(C(=O)c3cc(-c4ccccc4F)no3)CCC[C@@]21C ZINC000257261797 530058931 /nfs/dbraw/zinc/05/89/31/530058931.db2.gz LIVXGJVAMXQHKC-ICSRJNTNSA-N 1 0 357.429 3.570 40 0 FHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000222842090 222753697 /nfs/dbraw/zinc/75/36/97/222753697.db2.gz GCDMCKIQVSPBQN-QZTJIDSGSA-N 1 0 358.526 3.571 40 0 FHABRO CCCc1n(CC)c2ccccc2[n+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000000781063 219320127 /nfs/dbraw/zinc/32/01/27/219320127.db2.gz ATZYLDCRGXMBGE-QGZVFWFLSA-N 1 0 373.904 3.995 40 0 FHABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCC[NH+]1CCCCC1 ZINC000225219157 222831568 /nfs/dbraw/zinc/83/15/68/222831568.db2.gz QZKSHWNUKLRDCX-NRFANRHFSA-N 1 0 358.526 3.715 40 0 FHABRO Cn1nccc1C(=O)N1[C@H](c2ccccc2)C[C@@]2(C)[C@@H]1CCCCC[N@@H+]2C ZINC000257241795 223034178 /nfs/dbraw/zinc/03/41/78/223034178.db2.gz HZPNWJLNHSMCQF-ONTIZHBOSA-N 1 0 366.509 3.640 40 0 FHABRO Cc1c[nH]c(-c2nccnc2[C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)n1 ZINC000257244376 223035071 /nfs/dbraw/zinc/03/50/71/223035071.db2.gz ILAGVZWGDWOMEJ-HNNXBMFYSA-N 1 0 369.419 3.833 40 0 FHABRO Cn1cc(CCC(=O)N2CC[C@]3(C)[NH2+]CCCCC[C@H]23)c2ccccc21 ZINC000257260325 223041629 /nfs/dbraw/zinc/04/16/29/223041629.db2.gz LCIHGERBYWEMGR-UNMCSNQZSA-N 1 0 353.510 3.634 40 0 FHABRO Cc1ccc(Nc2nc([C@H]3CCC[N@@H+](Cc4cncn4C)C3)cs2)nc1 ZINC000257263417 223042959 /nfs/dbraw/zinc/04/29/59/223042959.db2.gz LPVGYLFLICXWGU-HNNXBMFYSA-N 1 0 368.510 3.703 40 0 FHABRO C[NH+](C)CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 ZINC000257274022 223046465 /nfs/dbraw/zinc/04/64/65/223046465.db2.gz NJFHBIPSOMSNFR-QGZVFWFLSA-N 1 0 361.873 3.534 40 0 FHABRO Cc1c2cc(F)ccc2[nH]c1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@@H+]2C ZINC000257287384 223051706 /nfs/dbraw/zinc/05/17/06/223051706.db2.gz PPSBBUQXRKXNQB-HEFCWWFNSA-N 1 0 355.457 3.703 40 0 FHABRO Cc1cc(Nc2cccc(F)c2)cc([C@H]2CC[N@@H+](Cc3cnn(C)c3)C2)n1 ZINC000257292674 223053583 /nfs/dbraw/zinc/05/35/83/223053583.db2.gz QMMYZORCGRWUCT-KRWDZBQOSA-N 1 0 365.456 3.996 40 0 FHABRO Cc1csc(Nc2nccnc2C2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000257310892 223061502 /nfs/dbraw/zinc/06/15/02/223061502.db2.gz UHBLFPGFGUBXLK-UHFFFAOYSA-N 1 0 373.526 3.591 40 0 FHABRO Cc1nc2c(n1C(C)C)CN(Cc1ccc(F)cc1)CC21CC[NH+](C)CC1 ZINC000306132065 223108467 /nfs/dbraw/zinc/10/84/67/223108467.db2.gz KWYZOYOFLXSRKP-UHFFFAOYSA-N 1 0 370.516 3.891 40 0 FHABRO COCCn1ccnc1[C@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133674 223109556 /nfs/dbraw/zinc/10/95/56/223109556.db2.gz MSMZEESRXCHWMF-NRFANRHFSA-N 1 0 365.452 3.816 40 0 FHABRO c1cc(C[N@@H+]2CC[C@]3(CN(Cc4cccnc4)c4cccnc43)C2)cs1 ZINC000306133535 223110100 /nfs/dbraw/zinc/11/01/00/223110100.db2.gz MOLDHKRJXODENH-OAQYLSRUSA-N 1 0 362.502 3.702 40 0 FHABRO COCCn1ccnc1[C@@H]1C[N@H+](Cc2ccc(F)cc2)Cc2ccccc21 ZINC000306133675 223110612 /nfs/dbraw/zinc/11/06/12/223110612.db2.gz MSMZEESRXCHWMF-OAQYLSRUSA-N 1 0 365.452 3.816 40 0 FHABRO COc1ccc(-c2cnc3n2C[C@@H]2C[N@@H+](Cc4ccsc4)C[C@H]2C3)cc1 ZINC000306138484 223111063 /nfs/dbraw/zinc/11/10/63/223111063.db2.gz RYSZQEBCAVUKDB-MSOLQXFVSA-N 1 0 365.502 3.925 40 0 FHABRO c1cc(C[N@@H+]2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)cs1 ZINC000306138239 223112119 /nfs/dbraw/zinc/11/21/19/223112119.db2.gz RTBJDIIISRQQON-GOSISDBHSA-N 1 0 361.474 3.842 40 0 FHABRO Fc1cc(F)cc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329055358 223130824 /nfs/dbraw/zinc/13/08/24/223130824.db2.gz VNFQIFFSUXRQHW-UHFFFAOYSA-N 1 0 358.436 3.833 40 0 FHABRO CCC(=O)N(c1ccccc1)C1CC[NH+](CCc2ccc(O)cc2)CC1 ZINC000012650364 220015331 /nfs/dbraw/zinc/01/53/31/220015331.db2.gz LCMFYINHURKMTB-UHFFFAOYSA-N 1 0 352.478 3.842 40 0 FHABRO FC(F)(F)c1cc(C2CC[NH+](Cc3ccccc3)CC2)nc2ncnn21 ZINC000013267122 220062381 /nfs/dbraw/zinc/06/23/81/220062381.db2.gz SBMNHBAMSIOTAM-UHFFFAOYSA-N 1 0 361.371 3.523 40 0 FHABRO O=c1cc(-c2ccncc2)nc([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000013268246 220062390 /nfs/dbraw/zinc/06/23/90/220062390.db2.gz HFZXAAXJIWGISF-WMZOPIPTSA-N 1 0 350.466 3.780 40 0 FHABRO FC(F)(F)c1cc(C2CC[NH+](Cc3ccsc3)CC2)nc2ncnn21 ZINC000013268347 220063035 /nfs/dbraw/zinc/06/30/35/220063035.db2.gz MXZQLLMXKDZORL-UHFFFAOYSA-N 1 0 367.400 3.584 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1Br ZINC000013669584 220081787 /nfs/dbraw/zinc/08/17/87/220081787.db2.gz WTLLDWUZGRRFHM-CQSZACIVSA-N 1 0 353.304 3.834 40 0 FHABRO CC(=O)Nc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1 ZINC000013993972 220101714 /nfs/dbraw/zinc/10/17/14/220101714.db2.gz KVEZMONWOHMJJR-OAQYLSRUSA-N 1 0 356.441 3.965 40 0 FHABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019081995 220236334 /nfs/dbraw/zinc/23/63/34/220236334.db2.gz CTSCWYPRJHWGPV-ICSRJNTNSA-N 1 0 366.509 3.592 40 0 FHABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)cc(N)n2n1 ZINC000019129313 220238101 /nfs/dbraw/zinc/23/81/01/220238101.db2.gz UYXMQTCKUJGEQX-OAHLLOKOSA-N 1 0 355.873 3.653 40 0 FHABRO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)cc1-n1cccn1 ZINC000019214748 220239626 /nfs/dbraw/zinc/23/96/26/220239626.db2.gz BVFGXZZURKWEAL-HXUWFJFHSA-N 1 0 366.509 3.661 40 0 FHABRO Cc1[nH]c2ccc(C)cc2c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC000019220068 220241601 /nfs/dbraw/zinc/24/16/01/220241601.db2.gz LMVQEDAHOTWMLQ-SFHVURJKSA-N 1 0 353.510 3.804 40 0 FHABRO Cc1ccnn1C[C@@H](C)C(=O)NC[C@H](c1cccs1)[NH+]1CCCCCC1 ZINC000019238338 220242989 /nfs/dbraw/zinc/24/29/89/220242989.db2.gz MEZQQAFZRJMDBK-SJLPKXTDSA-N 1 0 374.554 3.623 40 0 FHABRO Cc1cccc(-c2cc(C[NH2+]CCc3ccccc3F)c3nnnn3c2)c1 ZINC000019235295 220241247 /nfs/dbraw/zinc/24/12/47/220241247.db2.gz BFUNFDIJHWQHTI-UHFFFAOYSA-N 1 0 361.424 3.571 40 0 FHABRO O=C(Cc1ccccc1F)N1CCCC[C@H]2[NH2+]CC[C@H](c3ccccc3)[C@H]21 ZINC000019373912 220254818 /nfs/dbraw/zinc/25/48/18/220254818.db2.gz KZNJDBXPWDYBTE-KJXAQDMKSA-N 1 0 366.480 3.895 40 0 FHABRO C[C@@H](CC(=O)N1CCCC[C@@H]1CC[NH+]1CCCC1)n1cnc2ccccc21 ZINC000019455277 220258494 /nfs/dbraw/zinc/25/84/94/220258494.db2.gz PNNRPLQSUTUBNO-RBUKOAKNSA-N 1 0 368.525 3.854 40 0 FHABRO CCC(=O)N[C@@H](c1nccs1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019499268 220262677 /nfs/dbraw/zinc/26/26/77/220262677.db2.gz QAMNTSOZPXCCRN-MAUKXSAKSA-N 1 0 361.486 3.762 40 0 FHABRO C[C@H]1Cc2cc([C@@H](O)C[N@H+](C)Cc3ccccc3)ccc2N1C(=O)C1CC1 ZINC000019497833 220263063 /nfs/dbraw/zinc/26/30/63/220263063.db2.gz DJGIJPOUZSNHIL-AOMKIAJQSA-N 1 0 364.489 3.540 40 0 FHABRO CCOc1ccc(C[N@@H+]2Cc3ccccc3OC3(CC[NH+](C)CC3)C2)cc1 ZINC000019533404 220267763 /nfs/dbraw/zinc/26/77/63/220267763.db2.gz QLJAHOBQNLMXFL-UHFFFAOYSA-N 1 0 366.505 3.944 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019560998 220273678 /nfs/dbraw/zinc/27/36/78/220273678.db2.gz MCZIVTSZQYESCO-MRXNPFEDSA-N 1 0 351.450 3.960 40 0 FHABRO COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CC[N@@H+](C4CCCC4)C[C@@H]23)c1 ZINC000019566138 220273145 /nfs/dbraw/zinc/27/31/45/220273145.db2.gz QKSUDBTVQRQHQD-FKBYEOEOSA-N 1 0 368.521 3.664 40 0 FHABRO COCCOc1ccc(C[NH+]2CCC(c3cc4ncccc4[nH]3)CC2)cc1 ZINC000019593690 220277284 /nfs/dbraw/zinc/27/72/84/220277284.db2.gz KJEXISCSTGIFPG-UHFFFAOYSA-N 1 0 365.477 3.968 40 0 FHABRO COc1ccc2c(c1)OCC(CN(Cc1ccccn1)C[C@H]1CCCO1)=C2 ZINC000019663006 220283179 /nfs/dbraw/zinc/28/31/79/220283179.db2.gz AVRDZMPOSUWXBP-OAQYLSRUSA-N 1 0 366.461 3.547 40 0 FHABRO COc1ccc(-c2cnc(N(C)C)nc2C2CC[NH+](CC3CC3)CC2)cc1 ZINC000019695167 220285506 /nfs/dbraw/zinc/28/55/06/220285506.db2.gz VBIAPZRXOFPZGO-UHFFFAOYSA-N 1 0 366.509 3.808 40 0 FHABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019714419 220287510 /nfs/dbraw/zinc/28/75/10/220287510.db2.gz QFJULPHQKRCUAK-HNNXBMFYSA-N 1 0 373.497 3.958 40 0 FHABRO CC[NH+](CC)C1CCN(C(=O)Cc2c(C)[nH]c3c2c(C)ccc3C)CC1 ZINC000019716878 220290566 /nfs/dbraw/zinc/29/05/66/220290566.db2.gz TXGCIZXJSQXZNJ-UHFFFAOYSA-N 1 0 355.526 3.968 40 0 FHABRO C[C@@H](CN(C)C(=O)CC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000019748799 220293970 /nfs/dbraw/zinc/29/39/70/220293970.db2.gz NVAGGLWFPRKLLF-IBGZPJMESA-N 1 0 365.521 3.946 40 0 FHABRO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1 ZINC000020503257 220330714 /nfs/dbraw/zinc/33/07/14/220330714.db2.gz ZJMKGOQLIVQGIR-DOTOQJQBSA-N 1 0 363.486 3.591 40 0 biogenic,in-vitro FHABRO COc1ccc(Cn2c(N)[nH+]cc2-c2ccc(Br)cc2)cc1 ZINC000022130291 220377497 /nfs/dbraw/zinc/37/74/97/220377497.db2.gz OZICLWPDPGCFOV-UHFFFAOYSA-N 1 0 358.239 3.952 40 0 FHABRO CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022513030 220388496 /nfs/dbraw/zinc/38/84/96/220388496.db2.gz DIBFEYJBEAVFAJ-FUHIMQAGSA-N 1 0 360.542 3.945 40 0 FHABRO C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032463073 220661625 /nfs/dbraw/zinc/66/16/25/220661625.db2.gz QSSQQQQHWJGBAL-INIZCTEOSA-N 1 0 356.441 3.505 40 0 FHABRO Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C ZINC000044873119 220962266 /nfs/dbraw/zinc/96/22/66/220962266.db2.gz DHZDBHOBYAQTMQ-LJQANCHMSA-N 1 0 366.505 3.983 40 0 FHABRO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000057698435 221093070 /nfs/dbraw/zinc/09/30/70/221093070.db2.gz GIUIVAMVPPCYOA-MAUKXSAKSA-N 1 0 370.946 3.533 40 0 FHABRO Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]Cc3cccs3)cc12 ZINC000057811760 221094228 /nfs/dbraw/zinc/09/42/28/221094228.db2.gz ZDUXEJUFNHUJOL-UHFFFAOYSA-N 1 0 368.437 3.513 40 0 FHABRO CC1CC[NH+](CC(C)(C)CN2CCC(O)(c3ccccc3F)CC2)CC1 ZINC000057823232 221094348 /nfs/dbraw/zinc/09/43/48/221094348.db2.gz RTTGTXOAKJTYPP-UHFFFAOYSA-N 1 0 362.533 3.867 40 0 FHABRO CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2Br)C1 ZINC000067801289 221287289 /nfs/dbraw/zinc/28/72/89/221287289.db2.gz BQHSQMQLYLXFGR-CQSZACIVSA-N 1 0 369.303 3.938 40 0 FHABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCN(c4ncccn4)C3)c2)c1 ZINC000257340546 533620704 /nfs/dbraw/zinc/62/07/04/533620704.db2.gz ZGQWXSOWSSZUFD-MRXNPFEDSA-N 1 0 361.449 3.926 40 0 FHABRO COc1cc2c(cc1OC)CN(c1cc(NC3CCCC3)[nH+]c(C)n1)CC2 ZINC000243294291 132249510 /nfs/dbraw/zinc/24/95/10/132249510.db2.gz LFBRBEQQYKUBOH-UHFFFAOYSA-N 1 0 368.481 3.719 40 0 FHABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CC2)[nH+]1 ZINC000328994498 132372318 /nfs/dbraw/zinc/37/23/18/132372318.db2.gz JEYIPBRIIFKSFM-UHFFFAOYSA-N 1 0 373.298 3.939 40 0 FHABRO CC(C)c1nc(N2CCc3cc(Cl)ccc3C2)cc(N[C@@H](C)CO)[nH+]1 ZINC000329010146 132372341 /nfs/dbraw/zinc/37/23/41/132372341.db2.gz LZOXPVCNQFJFAO-ZDUSSCGKSA-N 1 0 360.889 3.609 40 0 FHABRO CNc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C(C)C)[nH+]1 ZINC000329017943 132372543 /nfs/dbraw/zinc/37/25/43/132372543.db2.gz NNZJPHIFWRERMG-UHFFFAOYSA-N 1 0 366.387 3.525 40 0 FHABRO C[NH+](C)CCNc1cc(N2Cc3ccccc3CC2(C)C)nc(C2CC2)n1 ZINC000329036425 132372921 /nfs/dbraw/zinc/37/29/21/132372921.db2.gz RIRQGPCRHPRIIJ-UHFFFAOYSA-N 1 0 365.525 3.669 40 0 FHABRO O=C(c1ccc(F)cc1)N1CCCc2cc([C@H](O)C[NH+]3CCCC3)ccc21 ZINC000012291338 132855301 /nfs/dbraw/zinc/85/53/01/132855301.db2.gz BKYSWMLEZSHCMW-OAQYLSRUSA-N 1 0 368.452 3.548 40 0 FHABRO CC[C@H](C[NH+]1CCCC1)n1cncc1-c1cnc(N2CCC(C)CC2)nc1 ZINC000019719983 132891603 /nfs/dbraw/zinc/89/16/03/132891603.db2.gz OWAAAMIFACXZHI-LJQANCHMSA-N 1 0 368.529 3.623 40 0 FHABRO Cc1cc(C)cc(N2CN(CCC[NH+](C)C)CN=C2c2ccccc2)c1 ZINC000022609060 132906279 /nfs/dbraw/zinc/90/62/79/132906279.db2.gz VPTFHUHEVVZYIV-UHFFFAOYSA-N 1 0 350.510 3.739 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(C)C[C@@H]3c2ccccc2)cc1 ZINC000096100290 222023288 /nfs/dbraw/zinc/02/32/88/222023288.db2.gz KOBACNAFXYSRGS-OAQYLSRUSA-N 1 0 364.489 3.533 40 0 FHABRO Cc1ccc(C[NH+]2CCC3(C[C@H](OCc4ccncc4)CO3)CC2)s1 ZINC000096106818 222024990 /nfs/dbraw/zinc/02/49/90/222024990.db2.gz VWCUEMDJJRVHQJ-SFHVURJKSA-N 1 0 358.507 3.792 40 0 FHABRO c1cc(C[NH+]2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)cs1 ZINC000096106138 222025025 /nfs/dbraw/zinc/02/50/25/222025025.db2.gz ZRZSGNVTKCBVIY-IBGZPJMESA-N 1 0 358.507 3.731 40 0 FHABRO O=C(Nc1ccccc1)[C@@H]1C[N@H+](Cc2cccs2)CC12CCOCC2 ZINC000096052245 222002831 /nfs/dbraw/zinc/00/28/31/222002831.db2.gz ZXWCARLSCPTRLB-SFHVURJKSA-N 1 0 356.491 3.615 40 0 FHABRO CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)c2ccccc21 ZINC000096052573 222003084 /nfs/dbraw/zinc/00/30/84/222003084.db2.gz HKYDUQSLJKYKTI-KRWDZBQOSA-N 1 0 352.478 3.745 40 0 FHABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](CC3CC3)CC2)Oc2ccccc21 ZINC000096053347 222003429 /nfs/dbraw/zinc/00/34/29/222003429.db2.gz OTJWOBDADNNHLD-GOSISDBHSA-N 1 0 356.510 3.712 40 0 FHABRO Cc1nc(CO[C@@H]2C[N@H+](Cc3ccc(F)cc3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058123 222005489 /nfs/dbraw/zinc/00/54/89/222005489.db2.gz OQHCTDOWSMLQIW-QRVBRYPASA-N 1 0 362.470 3.539 40 0 FHABRO O=C(C1CC=CC1)N1CCC2(CC1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096063003 222009308 /nfs/dbraw/zinc/00/93/08/222009308.db2.gz ADRRAZBEMPJODE-UHFFFAOYSA-N 1 0 356.485 3.997 40 0 FHABRO COc1ncccc1CN1Cc2ccccc2C2(CC[NH+](C(C)C)CC2)C1 ZINC000096242407 222097671 /nfs/dbraw/zinc/09/76/71/222097671.db2.gz NGMAMYFXZNPXCC-UHFFFAOYSA-N 1 0 365.521 3.848 40 0 FHABRO COc1cccc(-c2c3c(nn2CC2CC2)C[C@@H]2C[N@@H+](CC4CC4)C[C@H]32)c1 ZINC000096145675 222047106 /nfs/dbraw/zinc/04/71/06/222047106.db2.gz HFNVZIDQUWQGAW-QUCCMNQESA-N 1 0 363.505 3.950 40 0 FHABRO Cn1cccc1C(=O)N1CCC2(CC([N@H+](C)Cc3cccs3)C2)CC1 ZINC000096159281 222058795 /nfs/dbraw/zinc/05/87/95/222058795.db2.gz MOSSBSCCKAOZIZ-UHFFFAOYSA-N 1 0 357.523 3.603 40 0 FHABRO Cc1ccc(C[N@@H+]2CCC[C@@]23CCCN(C(=O)CCc2cccnc2)C3)o1 ZINC000096214591 222080791 /nfs/dbraw/zinc/08/07/91/222080791.db2.gz LUSLUNMMPSDTOX-JOCHJYFZSA-N 1 0 367.493 3.573 40 0 FHABRO COc1c(C)cccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CC[C@H](C[NH3+])CC1 ZINC000100750297 222251652 /nfs/dbraw/zinc/25/16/52/222251652.db2.gz KXVXIPDWBXKBDR-FUHIMQAGSA-N 1 0 367.493 3.635 40 0 FHABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Br)cc1 ZINC000010543018 263366286 /nfs/dbraw/zinc/36/62/86/263366286.db2.gz ZRQJMLKEEMXPRL-MRXNPFEDSA-N 1 0 353.304 3.834 40 0 FHABRO Cc1nc(NC(=[NH2+])Nc2ccc(Cl)cc2)[nH]c(=O)c1Cc1ccccc1 ZINC000017075526 263372208 /nfs/dbraw/zinc/37/22/08/263372208.db2.gz FZIIJOHXHWICQW-UHFFFAOYSA-N 1 0 367.840 3.781 40 0 FHABRO COc1cc2ccccc2cc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000020452785 263380457 /nfs/dbraw/zinc/38/04/57/263380457.db2.gz CEPVAHXLUYAEHR-UHFFFAOYSA-N 1 0 357.413 3.964 40 0 FHABRO C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)C3CCOCC3)[C@H]1CCCCC[NH2+]2 ZINC000257282325 534188934 /nfs/dbraw/zinc/18/89/34/534188934.db2.gz OTHOQSZKTOVBFF-GIWBLDEGSA-N 1 0 370.537 3.548 40 0 FHABRO c1cncc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5ccncc5)C4)nn3c2)c1 ZINC000306131391 534504391 /nfs/dbraw/zinc/50/43/91/534504391.db2.gz KDCYUZSIJVQSIM-FQEVSTJZSA-N 1 0 370.460 3.566 40 0 FHABRO Cc1nn(C)c2nc([C@H]3CCC[N@H+](Cc4ccc(Cl)cn4)C3)ccc12 ZINC000257287986 534829490 /nfs/dbraw/zinc/82/94/90/534829490.db2.gz PSHHLOAIUWFQMV-AWEZNQCLSA-N 1 0 355.873 3.705 40 0 FHABRO O=S1(=O)c2ccc(-c3ccc(F)cc3)cc2[C@@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000306143943 534877231 /nfs/dbraw/zinc/87/72/31/534877231.db2.gz YRKUXILSNJBNQT-AZUAARDMSA-N 1 0 357.450 3.600 40 0 FHABRO Cc1csc(Nc2cc(C)nc([C@H]3CCC[N@@H+](C4CCOCC4)C3)n2)n1 ZINC000257279933 526394719 /nfs/dbraw/zinc/39/47/19/526394719.db2.gz OITUUWMDLNYNME-HNNXBMFYSA-N 1 0 373.526 3.652 40 0 FHABRO CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CC[N@H+](Cc4cccnc4)[C@@H]3C[C@H]21 ZINC000257264819 527817431 /nfs/dbraw/zinc/81/74/31/527817431.db2.gz LWCHUOGYYGISRH-UKAVVXHISA-N 1 0 350.462 3.973 40 0 FHABRO CC(C)(C)[C@@H]1C[C@@]2(C)[C@H](CCCCc3nnnn32)[N@@H+]1Cc1ccccc1 ZINC000218904835 568256633 /nfs/dbraw/zinc/25/66/33/568256633.db2.gz XGMHPACMNJGJAW-WFXMLNOXSA-N 1 0 353.514 3.804 40 0 FHABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 ZINC000022931739 568314502 /nfs/dbraw/zinc/31/45/02/568314502.db2.gz KQTSRJVYGXTYMX-HXUWFJFHSA-N 1 0 369.509 3.585 40 0 FHABRO CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000222870147 568574377 /nfs/dbraw/zinc/57/43/77/568574377.db2.gz XOBJBZJATGLLBH-OAQYLSRUSA-N 1 0 368.477 3.956 40 0 FHABRO COc1cccc(-c2ccc3nc(C4CC[NH+](CC5CC5)CC4)nn3c2)c1 ZINC000096038237 570472502 /nfs/dbraw/zinc/47/25/02/570472502.db2.gz RIQKBSUHCNCOKM-UHFFFAOYSA-N 1 0 362.477 3.994 40 0 FHABRO Cc1ccoc1C(=O)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046631 570473083 /nfs/dbraw/zinc/47/30/83/570473083.db2.gz KPHGXLZEGZJSRA-UHFFFAOYSA-N 1 0 356.441 3.855 40 0 FHABRO O=C(c1cccs1)N1CCC2(CC1)CC[NH+](Cc1ccccn1)CC2 ZINC000096047209 570473105 /nfs/dbraw/zinc/47/31/05/570473105.db2.gz GZNRLCLXTJMIPO-UHFFFAOYSA-N 1 0 355.507 3.662 40 0 FHABRO CCCC(CCC)[N@@H+]1CC[C@H](O)[C@@](O)(COc2c(C)ccc(C)c2C)C1 ZINC000585285882 570494715 /nfs/dbraw/zinc/49/47/15/570494715.db2.gz DONMBHUPWAHSAK-UNMCSNQZSA-N 1 0 363.542 3.757 40 0 FHABRO FC(F)(F)c1nc(-c2cccc([C@H]3CCC[N@H+](CC4CC4)C3)n2)no1 ZINC000585289486 570495495 /nfs/dbraw/zinc/49/54/95/570495495.db2.gz IFCRBCXXRYWGRZ-LBPRGKRZSA-N 1 0 352.360 3.740 40 0 FHABRO CC(C)(C)C1CCC(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CC1 ZINC000001470038 570501056 /nfs/dbraw/zinc/50/10/56/570501056.db2.gz AVIBQUGXCYWJEA-CUYAVPTFSA-N 1 0 369.590 3.983 40 0 FHABRO O=C1OC2(CC[NH+](Cc3ccccc3)CC2)C(=O)N1c1cccc(Cl)c1 ZINC000001705543 570504736 /nfs/dbraw/zinc/50/47/36/570504736.db2.gz HATLMFQWOBGFLV-UHFFFAOYSA-N 1 0 370.836 3.858 40 0 FHABRO O=C1N(Cc2cccnc2)CCCC12CC[NH+](C[C@@H]1CC=CCC1)CC2 ZINC000108525804 570526805 /nfs/dbraw/zinc/52/68/05/570526805.db2.gz FQOZWZDPIUVYIQ-LJQANCHMSA-N 1 0 353.510 3.643 40 0 FHABRO Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072219651 570534907 /nfs/dbraw/zinc/53/49/07/570534907.db2.gz GYTSBRYFHDEDEP-NRFANRHFSA-N 1 0 351.494 3.954 40 0 FHABRO COc1cccc(-c2noc([C@H]3CC[N@H+](Cc4ccccc4F)C3)n2)c1 ZINC000072369854 570546834 /nfs/dbraw/zinc/54/68/34/570546834.db2.gz RWBGZLATOQLGJR-INIZCTEOSA-N 1 0 353.397 3.874 40 0 FHABRO CCCCNc1ccc(C(=O)NCCSCC[NH+](CC)CC)cc1 ZINC000004366973 570587538 /nfs/dbraw/zinc/58/75/38/570587538.db2.gz PTRPHFXPQGSQMY-UHFFFAOYSA-N 1 0 351.560 3.703 40 0 FHABRO C[NH+](C)CCN(C(=O)c1c(F)cccc1F)c1nc2ccccc2s1 ZINC000004968542 570614926 /nfs/dbraw/zinc/61/49/26/570614926.db2.gz RNFCGHRAIWJJNL-UHFFFAOYSA-N 1 0 361.417 3.783 40 0 FHABRO COc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000004886092 570672692 /nfs/dbraw/zinc/67/26/92/570672692.db2.gz OCRUJRRLNYMPPK-IHWFROFDSA-N 1 0 350.462 3.621 40 0 FHABRO COc1ccc(CN(C(=O)c2ccco2)[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000006576890 570681663 /nfs/dbraw/zinc/68/16/63/570681663.db2.gz SUTXCIMFRCHMFF-BXWFABGCSA-N 1 0 356.466 3.659 40 0 FHABRO COc1cc(C[NH2+]C[C@H](C)O)ccc1OCc1ccc(F)cc1Cl ZINC000008497988 570682405 /nfs/dbraw/zinc/68/24/05/570682405.db2.gz VCYPPKGRVIXHRV-LBPRGKRZSA-N 1 0 353.821 3.537 40 0 FHABRO [NH2+]=C(Nc1ccc(Oc2ccccc2)cc1)Nc1nc2c(c(=O)[nH]1)CCC2 ZINC000009969131 570697627 /nfs/dbraw/zinc/69/76/27/570697627.db2.gz FIAPINPRSOJQGA-UHFFFAOYSA-N 1 0 361.405 3.510 40 0 FHABRO Cc1c(/C=C/C2=CC[N@H+](C)CC2)c2ccccc2n1CC(=O)N1CCCC1 ZINC000012117147 570719606 /nfs/dbraw/zinc/71/96/06/570719606.db2.gz SDTCBAJSAHFYNM-MDZDMXLPSA-N 1 0 363.505 3.847 40 0 FHABRO O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000012119170 570720381 /nfs/dbraw/zinc/72/03/81/570720381.db2.gz FMQCTBHGIGJLOY-GOSISDBHSA-N 1 0 359.429 3.980 40 0 FHABRO COc1ccccc1/C=C/C[N@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cccnc1 ZINC000012134978 570720817 /nfs/dbraw/zinc/72/08/17/570720817.db2.gz GPOIPVRAQNIIHX-NEJRFYIBSA-N 1 0 364.489 3.723 40 0 FHABRO OC1(c2ccccc2F)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012147687 570723260 /nfs/dbraw/zinc/72/32/60/570723260.db2.gz AJIFFJSPEJCBTJ-UHFFFAOYSA-N 1 0 357.454 3.761 40 0 FHABRO Cc1cc2oc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc(=O)c2cc1C ZINC000012205100 570727692 /nfs/dbraw/zinc/72/76/92/570727692.db2.gz VIAKKOUCRUKDOC-HUUCEWRRSA-N 1 0 370.493 3.508 40 0 FHABRO COc1ccc(C[NH+]2CCC3(CC2)OCCc2cnc(C(C)C)nc23)cc1 ZINC000012220559 570728522 /nfs/dbraw/zinc/72/85/22/570728522.db2.gz HGMHSZVRRMQLFN-UHFFFAOYSA-N 1 0 367.493 3.673 40 0 FHABRO O=C1NCCCC12CC[NH+](Cc1cccc(Oc3ccccc3)c1)CC2 ZINC000012227885 570729847 /nfs/dbraw/zinc/72/98/47/570729847.db2.gz INAQTDJSOUIFJP-UHFFFAOYSA-N 1 0 350.462 3.971 40 0 FHABRO COc1ccc(C[N@@H+]2CCc3sccc3[C@@H]2C)cc1CN1CCOCC1 ZINC000012241056 570730550 /nfs/dbraw/zinc/73/05/50/570730550.db2.gz GXNNYJUIGJTLDU-INIZCTEOSA-N 1 0 372.534 3.708 40 0 FHABRO CCOc1ccc(C[NH+]2CCC(c3noc(-c4ccncc4)n3)CC2)cc1 ZINC000012275801 570731883 /nfs/dbraw/zinc/73/18/83/570731883.db2.gz TVYWDECSCLIEFR-UHFFFAOYSA-N 1 0 364.449 3.910 40 0 FHABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(F)cc3)CC1)O2 ZINC000012293755 570732756 /nfs/dbraw/zinc/73/27/56/570732756.db2.gz MCZKOYYYOZMNKA-UXHICEINSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293456 570732819 /nfs/dbraw/zinc/73/28/19/570732819.db2.gz GHBIVWOYBSZXEM-WOJBJXKFSA-N 1 0 371.452 3.518 40 0 FHABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012329248 570737296 /nfs/dbraw/zinc/73/72/96/570737296.db2.gz DTQALJQSFYPEBS-LEWJYISDSA-N 1 0 367.489 3.688 40 0 FHABRO COc1cc(C)c(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)cc1OC ZINC000012344452 570738324 /nfs/dbraw/zinc/73/83/24/570738324.db2.gz QXYRSHIIVUBSLQ-UHFFFAOYSA-N 1 0 355.478 3.804 40 0 FHABRO COc1cc2c(cc1C[NH+]1CCC(O)(c3ccc(F)cc3)CC1)CCC2 ZINC000012363599 570738766 /nfs/dbraw/zinc/73/87/66/570738766.db2.gz IFPYZSPCWQHAFM-UHFFFAOYSA-N 1 0 355.453 3.807 40 0 FHABRO COc1ccc(C(C)(C)C)cc1C[NH2+][C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000012366580 570739125 /nfs/dbraw/zinc/73/91/25/570739125.db2.gz GTPYPTVPQQMHQC-VQIMIIECSA-N 1 0 358.482 3.636 40 0 FHABRO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCCC2)c2ccccc2)cc1 ZINC000013612837 570780836 /nfs/dbraw/zinc/78/08/36/570780836.db2.gz XJDNIFUGEKEMSZ-RELWKKBWSA-N 1 0 364.489 3.838 40 0 FHABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000006548253 570783155 /nfs/dbraw/zinc/78/31/55/570783155.db2.gz UANMPPXBORGIQG-UHFFFAOYSA-N 1 0 359.520 3.861 40 0 FHABRO COCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000008469105 570795979 /nfs/dbraw/zinc/79/59/79/570795979.db2.gz BTWJLUOFEAWRPM-UHFFFAOYSA-N 1 0 368.246 3.903 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3cccc(C)c3)CC2)cc1 ZINC000224530622 570992267 /nfs/dbraw/zinc/99/22/67/570992267.db2.gz CZZABXXPUFGWEE-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOCc3ccccc3)CC2)cc1 ZINC000224531052 570992322 /nfs/dbraw/zinc/99/23/22/570992322.db2.gz UFAHRRQCDQGOCI-UHFFFAOYSA-N 1 0 366.505 3.540 40 0 FHABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3cccc(C)c3)CC2)c1 ZINC000224528609 570992360 /nfs/dbraw/zinc/99/23/60/570992360.db2.gz SLKKQCSATUUXCS-UHFFFAOYSA-N 1 0 366.505 3.711 40 0 FHABRO Cc1cc(C)cc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224670625 570997080 /nfs/dbraw/zinc/99/70/80/570997080.db2.gz YGXCFXNQXJTNND-UHFFFAOYSA-N 1 0 366.505 3.985 40 0 FHABRO Cc1ccc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000224698314 570997921 /nfs/dbraw/zinc/99/79/21/570997921.db2.gz WWNNZYVZUOPXLJ-UHFFFAOYSA-N 1 0 372.534 3.768 40 0 FHABRO COc1ccc(OC)c(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000039766817 571023396 /nfs/dbraw/zinc/02/33/96/571023396.db2.gz LHWATIDMBHCUPO-UHFFFAOYSA-N 1 0 368.477 3.863 40 0 FHABRO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000039772932 571024034 /nfs/dbraw/zinc/02/40/34/571024034.db2.gz SFLQTBLDCYNPRJ-UHFFFAOYSA-N 1 0 350.506 3.956 40 0 FHABRO CO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225643942 571052144 /nfs/dbraw/zinc/05/21/44/571052144.db2.gz DOECGXLOFRJRNQ-HYFFOGBASA-N 1 0 374.525 3.797 40 0 FHABRO CCOC(C)(C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225647453 571052736 /nfs/dbraw/zinc/05/27/36/571052736.db2.gz HIWKYCRLKSSLBN-CALCHBBNSA-N 1 0 362.514 3.797 40 0 FHABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030946049 571053100 /nfs/dbraw/zinc/05/31/00/571053100.db2.gz LCCIESDORWQESA-HXUWFJFHSA-N 1 0 352.478 3.566 40 0 FHABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030946053 571053507 /nfs/dbraw/zinc/05/35/07/571053507.db2.gz LCCIESDORWQESA-FQEVSTJZSA-N 1 0 352.478 3.566 40 0 FHABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCC[C@H](C)C1 ZINC000225662473 571053534 /nfs/dbraw/zinc/05/35/34/571053534.db2.gz WDQAWAHBXDEBPP-LAUBAEHRSA-N 1 0 362.514 3.941 40 0 FHABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1)C1CC1 ZINC000225671738 571054389 /nfs/dbraw/zinc/05/43/89/571054389.db2.gz VGUIUPLDTLZYSD-NRFANRHFSA-N 1 0 362.514 3.941 40 0 FHABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCCC1 ZINC000225707020 571057638 /nfs/dbraw/zinc/05/76/38/571057638.db2.gz JFWUAZPFLNQINS-UHFFFAOYSA-N 1 0 360.498 3.839 40 0 FHABRO O=C(COc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000032462000 571057776 /nfs/dbraw/zinc/05/77/76/571057776.db2.gz MRVWFXHQTHBNNU-UHFFFAOYSA-N 1 0 358.869 3.631 40 0 FHABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)cc2)C1 ZINC000225735634 571060493 /nfs/dbraw/zinc/06/04/93/571060493.db2.gz UPXLUBHQGJAPOU-CYBMUJFWSA-N 1 0 370.360 3.858 40 0 FHABRO Cc1cc2nc([C@H]3CCC[N@@H+](CC[C@@H](C)c4ccc(C)o4)C3)cc(N)n2n1 ZINC000036719061 571081355 /nfs/dbraw/zinc/08/13/55/571081355.db2.gz YBOGQKCZIQEJOG-PBHICJAKSA-N 1 0 367.497 3.895 40 0 FHABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc3c(cc2C)OCO3)o1 ZINC000036740284 571081361 /nfs/dbraw/zinc/08/13/61/571081361.db2.gz ZCMSWWYIQISJNL-UHFFFAOYSA-N 1 0 367.449 3.914 40 0 FHABRO COC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000038753044 571085851 /nfs/dbraw/zinc/08/58/51/571085851.db2.gz MQMMKZGJTVDXMR-MRXNPFEDSA-N 1 0 366.461 3.957 40 0 FHABRO Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000038837119 571087628 /nfs/dbraw/zinc/08/76/28/571087628.db2.gz JQPDLDNTOTWCIA-UHFFFAOYSA-N 1 0 365.502 3.903 40 0 FHABRO O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 ZINC000038849071 571087847 /nfs/dbraw/zinc/08/78/47/571087847.db2.gz ILNISRZLVAETCD-ZBFHGGJFSA-N 1 0 371.308 3.501 40 0 FHABRO CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000044845963 571102873 /nfs/dbraw/zinc/10/28/73/571102873.db2.gz WRJRCZGDIAPEDI-NSHGMRRFSA-N 1 0 360.542 3.945 40 0 FHABRO O=C(NCCCc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044906509 571104541 /nfs/dbraw/zinc/10/45/41/571104541.db2.gz PQBZOLJDLAXSHU-IBGZPJMESA-N 1 0 372.459 3.926 40 0 FHABRO CCOc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044920017 571104886 /nfs/dbraw/zinc/10/48/86/571104886.db2.gz ABUFBAMEIKWFJX-IBGZPJMESA-N 1 0 370.468 3.753 40 0 FHABRO CCOc1ccc(NC(=S)NCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000046103187 571106954 /nfs/dbraw/zinc/10/69/54/571106954.db2.gz BFTUAROKQOMPDJ-UHFFFAOYSA-N 1 0 369.534 3.820 40 0 FHABRO CC(C)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)n1 ZINC000329061312 571109009 /nfs/dbraw/zinc/10/90/09/571109009.db2.gz WRGGQGHPSHGUJZ-UHFFFAOYSA-N 1 0 366.509 3.964 40 0 FHABRO C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCC[N@@H+]1CCC[C@H](C)C1 ZINC000260808156 571123509 /nfs/dbraw/zinc/12/35/09/571123509.db2.gz GCDMCKIQVSPBQN-ZWKOTPCHSA-N 1 0 358.526 3.571 40 0 FHABRO Cc1nc(C[C@H]2CCC[NH2+]CC2)cc(-c2cnc3ccc(Cl)cn32)n1 ZINC000585262750 571125412 /nfs/dbraw/zinc/12/54/12/571125412.db2.gz CABZHPBAZKHNOY-AWEZNQCLSA-N 1 0 355.873 3.685 40 0 FHABRO Cc1ncsc1CN1Cc2cccn2[C@@H](CCOCc2cccnc2)C1 ZINC000248013927 571127111 /nfs/dbraw/zinc/12/71/11/571127111.db2.gz GVMIRSHJEQIPOZ-IBGZPJMESA-N 1 0 368.506 3.812 40 0 FHABRO Cc1ncc2c(n1)[C@@]1(CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C1)COC2 ZINC000248192750 571128190 /nfs/dbraw/zinc/12/81/90/571128190.db2.gz MMLLWKAZPNHEDR-JOCHJYFZSA-N 1 0 351.494 3.756 40 0 FHABRO Cc1ccc2c(C(=O)N3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)csc2c1 ZINC000333296879 571148441 /nfs/dbraw/zinc/14/84/41/571148441.db2.gz PLRJPCLGXCNTQZ-YJBOKZPZSA-N 1 0 358.507 3.568 40 0 FHABRO C[C@@]12C[C@H]3CN(C(=O)c4cc(-c5cccc(F)c5)no4)[C@@H]1CCCC[C@@H]2[NH2+]3 ZINC000257276090 571157169 /nfs/dbraw/zinc/15/71/69/571157169.db2.gz NSHNJKMELGICMQ-RMYQPGKMSA-N 1 0 369.440 3.616 40 0 FHABRO Cc1cc2nc([C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)cc(N)n2n1 ZINC000072339775 571179228 /nfs/dbraw/zinc/17/92/28/571179228.db2.gz CRZQYZPFWYWQPQ-OAHLLOKOSA-N 1 0 355.873 3.653 40 0 FHABRO COC(=O)[C@@]1(CC=C(C)C)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072341109 571179487 /nfs/dbraw/zinc/17/94/87/571179487.db2.gz WBSLODQSNBEOIO-ZWCUEREDSA-N 1 0 371.477 3.517 40 0 FHABRO Cc1nc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)N(C)C ZINC000072345467 571179690 /nfs/dbraw/zinc/17/96/90/571179690.db2.gz MGCSYJOCOOWMOB-FQEVSTJZSA-N 1 0 366.509 3.647 40 0 FHABRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000072348750 571180206 /nfs/dbraw/zinc/18/02/06/571180206.db2.gz RXHBNKHXQKAGEX-GOSISDBHSA-N 1 0 369.484 3.936 40 0 FHABRO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 ZINC000072349534 571181072 /nfs/dbraw/zinc/18/10/72/571181072.db2.gz UUQPRSWDVWXJRG-KRWDZBQOSA-N 1 0 371.912 3.593 40 0 FHABRO CN(C)C(=O)C[NH+]1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 ZINC000072349533 571181139 /nfs/dbraw/zinc/18/11/39/571181139.db2.gz GZOHGWJNHSMZMP-UHFFFAOYSA-N 1 0 371.912 3.593 40 0 FHABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cn1 ZINC000072349979 571181396 /nfs/dbraw/zinc/18/13/96/571181396.db2.gz YMQCDLNFXROICX-UHFFFAOYSA-N 1 0 364.468 3.925 40 0 FHABRO C[NH+](C)CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000072350115 571181712 /nfs/dbraw/zinc/18/17/12/571181712.db2.gz DLTBOQDZNKWJIS-MRXNPFEDSA-N 1 0 357.885 3.670 40 0 FHABRO Cc1nc([C@@H]2CC[N@@H+](C(C)C)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000072351976 571182097 /nfs/dbraw/zinc/18/20/97/571182097.db2.gz TVIHJZFAZSGFFF-CQSZACIVSA-N 1 0 358.873 3.888 40 0 FHABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c1 ZINC000072358579 571183486 /nfs/dbraw/zinc/18/34/86/571183486.db2.gz KHIREWVLUXHSMH-LJQANCHMSA-N 1 0 360.461 3.927 40 0 FHABRO COc1cccc(-c2noc([C@@H]3CC[N@H+](Cc4ccccc4OC)C3)n2)c1 ZINC000072369877 571185145 /nfs/dbraw/zinc/18/51/45/571185145.db2.gz ALDXGPHIUFUNHG-QGZVFWFLSA-N 1 0 365.433 3.743 40 0 FHABRO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072375350 571185709 /nfs/dbraw/zinc/18/57/09/571185709.db2.gz VKQZIMAEAUYZJP-INIZCTEOSA-N 1 0 354.483 3.661 40 0 FHABRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1 ZINC000072390025 571189503 /nfs/dbraw/zinc/18/95/03/571189503.db2.gz WUOVHUYHIUSPSR-INIZCTEOSA-N 1 0 350.422 3.520 40 0 FHABRO Fc1cccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)c1F ZINC000072390046 571189561 /nfs/dbraw/zinc/18/95/61/571189561.db2.gz LDDJYZZAPUDSRZ-AWEZNQCLSA-N 1 0 356.376 3.789 40 0 FHABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000072389986 571189722 /nfs/dbraw/zinc/18/97/22/571189722.db2.gz BIYHTYDJFVMFGF-QGZVFWFLSA-N 1 0 350.422 3.520 40 0 FHABRO COc1cccc2cc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)oc21 ZINC000073920879 571201388 /nfs/dbraw/zinc/20/13/88/571201388.db2.gz RPIHRUSGOHYGII-UHFFFAOYSA-N 1 0 364.445 3.967 40 0 FHABRO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@H+](C)C3CCCC3)CC2)nn1C ZINC000257322078 571215985 /nfs/dbraw/zinc/21/59/85/571215985.db2.gz WEMYLABRANWXSM-IYARVYRRSA-N 1 0 360.546 3.547 40 0 FHABRO C[C@H](c1ccccc1)[N@@H+]1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104212 571222975 /nfs/dbraw/zinc/22/29/75/571222975.db2.gz KVOGVFDFGQFHAG-VGSWGCGISA-N 1 0 368.452 3.642 40 0 FHABRO c1cc(C[NH+]2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)co1 ZINC000585105549 571223764 /nfs/dbraw/zinc/22/37/64/571223764.db2.gz ZKDLIZUYRIBATC-HXUWFJFHSA-N 1 0 356.466 3.653 40 0 FHABRO FC(F)(F)c1cc(N2CC[C@H]3[C@H](C[N@@H+]3CC3CCCCC3)C2)ncn1 ZINC000585107925 571225128 /nfs/dbraw/zinc/22/51/28/571225128.db2.gz FWTAMBMLVMHZNM-GJZGRUSLSA-N 1 0 354.420 3.586 40 0 FHABRO CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2Cc1ccc(OC(F)F)cc1 ZINC000585109010 571225415 /nfs/dbraw/zinc/22/54/15/571225415.db2.gz NNTFIOXGDMUDTC-IRXDYDNUSA-N 1 0 352.425 3.509 40 0 FHABRO COc1ccc(C[N@@H+]2CC[C@@H](c3nc(-c4ccc(OC)cc4)no3)C2)cc1 ZINC000585172048 571237551 /nfs/dbraw/zinc/23/75/51/571237551.db2.gz NKGKOLWMMNETIL-QGZVFWFLSA-N 1 0 365.433 3.743 40 0 FHABRO c1c[nH]c(-c2nccnc2C2CC[NH+](Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000585182539 571238384 /nfs/dbraw/zinc/23/83/84/571238384.db2.gz HGOWALXCFHBYME-UHFFFAOYSA-N 1 0 358.449 3.728 40 0 FHABRO CC[N@@H+]1CC[C@@H](CCc2ccc(NC(=O)c3cnccn3)cc2)[C@@H](C)C1 ZINC000012144905 571303449 /nfs/dbraw/zinc/30/34/49/571303449.db2.gz HSZPDAJYRIMOHM-FUHWJXTLSA-N 1 0 352.482 3.639 40 0 FHABRO CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1C[N@H+](C)C2(C1)CCCCC2 ZINC000019695725 571304348 /nfs/dbraw/zinc/30/43/48/571304348.db2.gz YTWLLOURGVRFHS-SFHVURJKSA-N 1 0 353.510 3.966 40 0 FHABRO CC[NH2+][C@@H]1CN(C(=O)c2cc3cc(OC)ccc3n2C)C2(C1)CCCCC2 ZINC000019703922 571304521 /nfs/dbraw/zinc/30/45/21/571304521.db2.gz UGXNDAMZVJZEAD-KRWDZBQOSA-N 1 0 369.509 3.714 40 0 FHABRO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cc1 ZINC000019712610 571304563 /nfs/dbraw/zinc/30/45/63/571304563.db2.gz RSYQHVSONLEISK-XJUOHMSHSA-N 1 0 364.489 3.722 40 0 FHABRO CC[NH+](CC)CC[C@@H](C)N[C@H](c1nnnn1-c1c(C)cccc1C)C(C)C ZINC000255188778 571321063 /nfs/dbraw/zinc/32/10/63/571321063.db2.gz LOMZMUNJURXOMN-MOPGFXCFSA-N 1 0 372.561 3.686 40 0 FHABRO CC(C)(C)c1ccc(OCc2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc1 ZINC000095534919 571331415 /nfs/dbraw/zinc/33/14/15/571331415.db2.gz CNDXPFFCJWKQOP-SFHVURJKSA-N 1 0 350.466 3.924 40 0 FHABRO