smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCc1cccc(Br)c1)NCC[NH+]1CCOCC1 ZINC000217481963 178269922 /nfs/dbraw/zinc/26/99/22/178269922.db2.gz TVRDGLDAJFLLLI-UHFFFAOYSA-N 1 2 356.264 1.623 20 70 FDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000216970633 258394990 /nfs/dbraw/zinc/39/49/90/258394990.db2.gz RFPRMMZLZXKHKU-FQEVSTJZSA-N 1 2 367.497 1.653 20 70 FDIDLO CC(C)(C)OC(=O)NC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000159361948 524650425 /nfs/dbraw/zinc/65/04/25/524650425.db2.gz GOYWAPPVPQVVSE-UHFFFAOYSA-N 1 2 360.458 1.783 20 70 FDIDLO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159453735 524673430 /nfs/dbraw/zinc/67/34/30/524673430.db2.gz GBZKMKVWBUFTKA-CKDBGZEDSA-N 1 2 374.485 1.216 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000159691259 524721924 /nfs/dbraw/zinc/72/19/24/524721924.db2.gz QKSSQXVWAVVSDR-GDBMZVCRSA-N 1 2 357.414 2.000 20 70 FDIDLO Cc1cccc([C@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000160027533 524792602 /nfs/dbraw/zinc/79/26/02/524792602.db2.gz ACFPRYVGUDNSNV-KRWDZBQOSA-N 1 2 370.453 1.498 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000160314344 524856699 /nfs/dbraw/zinc/85/66/99/524856699.db2.gz SYGVEESAKBCMIF-GFCCVEGCSA-N 1 2 373.295 1.650 20 70 FDIDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)CC1 ZINC000160316246 524856859 /nfs/dbraw/zinc/85/68/59/524856859.db2.gz VELAQELNHPPMFO-UHFFFAOYSA-N 1 2 355.442 1.592 20 70 FDIDLO CCOCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160350589 524864617 /nfs/dbraw/zinc/86/46/17/524864617.db2.gz JTZJUEDTZNTUFP-UHFFFAOYSA-N 1 2 355.504 1.107 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000160409131 524880290 /nfs/dbraw/zinc/88/02/90/524880290.db2.gz ZCFBRYNPKMFYCP-LLVKDONJSA-N 1 2 350.843 1.726 20 70 FDIDLO NC(=O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000160557669 524916515 /nfs/dbraw/zinc/91/65/15/524916515.db2.gz LKLXCBCOSWABLE-HNNXBMFYSA-N 1 2 354.378 1.555 20 70 FDIDLO CC(=O)N[C@@H](CC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160602973 524927485 /nfs/dbraw/zinc/92/74/85/524927485.db2.gz DEWOXAZOWJWEOA-PXAZEXFGSA-N 1 2 369.412 1.369 20 70 FDIDLO O=S(=O)(c1c(F)cccc1F)N1CC[NH+](CC2=CCCOC2)CC1 ZINC000160617418 524931699 /nfs/dbraw/zinc/93/16/99/524931699.db2.gz PYNKRASFHWFVTP-UHFFFAOYSA-N 1 2 358.410 1.618 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CCN3CCOCC3)c2c1 ZINC000160891595 524989839 /nfs/dbraw/zinc/98/98/39/524989839.db2.gz OOCOULITSHUWIV-UHFFFAOYSA-N 1 2 359.426 1.401 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)CCN3CCOCC3)c2c1 ZINC000160891595 524989848 /nfs/dbraw/zinc/98/98/48/524989848.db2.gz OOCOULITSHUWIV-UHFFFAOYSA-N 1 2 359.426 1.401 20 70 FDIDLO COc1ccc(-c2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)n[nH]2)cc1 ZINC000160958581 525005027 /nfs/dbraw/zinc/00/50/27/525005027.db2.gz YJFKCUQCENMXFD-OAHLLOKOSA-N 1 2 370.453 1.880 20 70 FDIDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000160998824 525013290 /nfs/dbraw/zinc/01/32/90/525013290.db2.gz FAHUCMJOMWVXPI-GOEBONIOSA-N 1 2 355.446 1.076 20 70 FDIDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161197420 525052121 /nfs/dbraw/zinc/05/21/21/525052121.db2.gz VTEQPFFQNCSUNJ-WMZOPIPTSA-N 1 2 373.501 1.604 20 70 FDIDLO CC1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000161208114 525054852 /nfs/dbraw/zinc/05/48/52/525054852.db2.gz GJPBMXBCSUTBNX-OAHLLOKOSA-N 1 2 374.489 1.524 20 70 FDIDLO CC1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000161208114 525054863 /nfs/dbraw/zinc/05/48/63/525054863.db2.gz GJPBMXBCSUTBNX-OAHLLOKOSA-N 1 2 374.489 1.524 20 70 FDIDLO CN(C[C@@H]1CCC[C@H]1O)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161336912 525083883 /nfs/dbraw/zinc/08/38/83/525083883.db2.gz TUBDZKRFEZEITI-GOEBONIOSA-N 1 2 368.499 1.255 20 70 FDIDLO COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000218103869 537458498 /nfs/dbraw/zinc/45/84/98/537458498.db2.gz VESPLTRWLJDOJE-ZDUSSCGKSA-N 1 2 363.439 1.656 20 70 FDIDLO O=C1c2ccccc2C(=O)N1CCCN1CC[NH+](Cc2ccncc2)CC1 ZINC000161210374 258263603 /nfs/dbraw/zinc/26/36/03/258263603.db2.gz NELWXMOVUOPIRE-UHFFFAOYSA-N 1 2 364.449 1.886 20 70 FDIDLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159368432 524653623 /nfs/dbraw/zinc/65/36/23/524653623.db2.gz GWIWGOYZYLTORW-LLVKDONJSA-N 1 2 355.851 1.334 20 70 FDIDLO COC(=O)C1([N@H+](C)CC(=O)NCc2cnn(-c3ccccc3)c2)CCCC1 ZINC000159393085 524660308 /nfs/dbraw/zinc/66/03/08/524660308.db2.gz HKJDNWIFFHKBFH-UHFFFAOYSA-N 1 2 370.453 1.906 20 70 FDIDLO COC(=O)C1([N@@H+](C)CC(=O)NCc2cnn(-c3ccccc3)c2)CCCC1 ZINC000159393085 524660315 /nfs/dbraw/zinc/66/03/15/524660315.db2.gz HKJDNWIFFHKBFH-UHFFFAOYSA-N 1 2 370.453 1.906 20 70 FDIDLO COCCOc1cccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000159586782 524701516 /nfs/dbraw/zinc/70/15/16/524701516.db2.gz DEBZWWVPJIOJSY-UHFFFAOYSA-N 1 2 355.438 1.998 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC000159652228 524715493 /nfs/dbraw/zinc/71/54/93/524715493.db2.gz ICTWQMYPMCXWPB-DLBZAZTESA-N 1 2 359.470 1.255 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC000159652228 524715503 /nfs/dbraw/zinc/71/55/03/524715503.db2.gz ICTWQMYPMCXWPB-DLBZAZTESA-N 1 2 359.470 1.255 20 70 FDIDLO CC[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C)CC3)c2)CC1 ZINC000159668292 524716276 /nfs/dbraw/zinc/71/62/76/524716276.db2.gz FMQBECGHUJCHNM-UHFFFAOYSA-N 1 2 351.472 1.751 20 70 FDIDLO COC[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000159697772 524723598 /nfs/dbraw/zinc/72/35/98/524723598.db2.gz JZVGESWBNHYEGZ-MOPGFXCFSA-N 1 2 361.486 1.654 20 70 FDIDLO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159709775 524725215 /nfs/dbraw/zinc/72/52/15/524725215.db2.gz KDKCMAQFSGYSRM-KSZLIROESA-N 1 2 374.485 1.052 20 70 FDIDLO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159709775 524725222 /nfs/dbraw/zinc/72/52/22/524725222.db2.gz KDKCMAQFSGYSRM-KSZLIROESA-N 1 2 374.485 1.052 20 70 FDIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC000159748576 524730782 /nfs/dbraw/zinc/73/07/82/524730782.db2.gz XUYVKMUOABQEGC-UHFFFAOYSA-N 1 2 353.492 1.201 20 70 FDIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cnc(NC)s2)CC1 ZINC000159748576 524730789 /nfs/dbraw/zinc/73/07/89/524730789.db2.gz XUYVKMUOABQEGC-UHFFFAOYSA-N 1 2 353.492 1.201 20 70 FDIDLO CN(CCOc1ccccc1F)C(=O)CSCC[NH+]1CCOCC1 ZINC000159990362 524784511 /nfs/dbraw/zinc/78/45/11/524784511.db2.gz JRKPMQVVOLVCCX-UHFFFAOYSA-N 1 2 356.463 1.728 20 70 FDIDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N(C)Cc1nccn1C)CC2 ZINC000160139956 524817714 /nfs/dbraw/zinc/81/77/14/524817714.db2.gz VLYZDOKUMDXZQT-UHFFFAOYSA-N 1 2 358.442 1.454 20 70 FDIDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N(C)Cc1nccn1C)CC2 ZINC000160139956 524817721 /nfs/dbraw/zinc/81/77/21/524817721.db2.gz VLYZDOKUMDXZQT-UHFFFAOYSA-N 1 2 358.442 1.454 20 70 FDIDLO O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000160203453 524831342 /nfs/dbraw/zinc/83/13/42/524831342.db2.gz SWWDIKMUTJTOOV-QGZVFWFLSA-N 1 2 352.438 1.884 20 70 FDIDLO CCc1nc(CN[C@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000160206250 524832012 /nfs/dbraw/zinc/83/20/12/524832012.db2.gz YGLGMQPBZXXZMA-LJQANCHMSA-N 1 2 357.458 1.665 20 70 FDIDLO CCc1nc(CN[C@]2(C(=O)OC)CCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000160206250 524832016 /nfs/dbraw/zinc/83/20/16/524832016.db2.gz YGLGMQPBZXXZMA-LJQANCHMSA-N 1 2 357.458 1.665 20 70 FDIDLO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160308662 524853799 /nfs/dbraw/zinc/85/37/99/524853799.db2.gz FPIVXYTZBGQFRA-LBPRGKRZSA-N 1 2 368.434 1.486 20 70 FDIDLO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160308662 524853806 /nfs/dbraw/zinc/85/38/06/524853806.db2.gz FPIVXYTZBGQFRA-LBPRGKRZSA-N 1 2 368.434 1.486 20 70 FDIDLO Cc1ccc2nc(CSCC(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)cn2c1 ZINC000160418980 524883809 /nfs/dbraw/zinc/88/38/09/524883809.db2.gz NJNZGVXGGWWDCK-QGZVFWFLSA-N 1 2 374.510 1.855 20 70 FDIDLO Cc1ccc2nc(CSCC(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)cn2c1 ZINC000160418980 524883815 /nfs/dbraw/zinc/88/38/15/524883815.db2.gz NJNZGVXGGWWDCK-QGZVFWFLSA-N 1 2 374.510 1.855 20 70 FDIDLO O=C(Nc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1)[C@H]1CCCO1 ZINC000160459490 524893107 /nfs/dbraw/zinc/89/31/07/524893107.db2.gz IQGUCOJEDWHSKH-DOTOQJQBSA-N 1 2 368.437 1.879 20 70 FDIDLO O=C(NCC[NH+]1CCOCC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000160719387 524955351 /nfs/dbraw/zinc/95/53/51/524955351.db2.gz DVYDJWQABKURAM-ZDUSSCGKSA-N 1 2 370.856 1.689 20 70 FDIDLO CC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000161036732 525020530 /nfs/dbraw/zinc/02/05/30/525020530.db2.gz GCCGBZZBRNITOM-OAHLLOKOSA-N 1 2 360.458 1.814 20 70 FDIDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000161053062 525023836 /nfs/dbraw/zinc/02/38/36/525023836.db2.gz JEPIKMIZOUSPLJ-CQSZACIVSA-N 1 2 366.439 1.724 20 70 FDIDLO O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)NOCc1cccnc1 ZINC000161083114 525031617 /nfs/dbraw/zinc/03/16/17/525031617.db2.gz YDBPQUYEASRCKK-SFHVURJKSA-N 1 2 356.426 1.886 20 70 FDIDLO CCC1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000161107252 525034766 /nfs/dbraw/zinc/03/47/66/525034766.db2.gz XYMKQHACENIYCS-UHFFFAOYSA-N 1 2 360.458 1.814 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)Nc1ccc2c(c1)OCO2 ZINC000161147919 525043944 /nfs/dbraw/zinc/04/39/44/525043944.db2.gz QFTMCUAWMSZKLW-UHFFFAOYSA-N 1 2 354.410 1.567 20 70 FDIDLO C[C@H](C(=O)NC(=O)NC1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161190126 525049898 /nfs/dbraw/zinc/04/98/98/525049898.db2.gz FZHMJOZKTJKLHD-MRXNPFEDSA-N 1 2 373.501 1.746 20 70 FDIDLO C[C@H](C(=O)NCCc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161221379 525057539 /nfs/dbraw/zinc/05/75/39/525057539.db2.gz OEYRDASLUWPTDM-GOSISDBHSA-N 1 2 352.482 1.947 20 70 FDIDLO C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161221379 525057546 /nfs/dbraw/zinc/05/75/46/525057546.db2.gz OEYRDASLUWPTDM-GOSISDBHSA-N 1 2 352.482 1.947 20 70 FDIDLO CCS(=O)(=O)N(C)CC(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161347774 525087497 /nfs/dbraw/zinc/08/74/97/525087497.db2.gz YZPJULRGGCKZEN-UHFFFAOYSA-N 1 2 373.906 1.266 20 70 FDIDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161402176 525101587 /nfs/dbraw/zinc/10/15/87/525101587.db2.gz CLLLSPWXGBDTMB-HZPDHXFCSA-N 1 2 373.501 1.037 20 70 FDIDLO Cc1cnn(Cc2cc(C(=O)NCCc3cn4ccccc4[nH+]3)no2)c1 ZINC000161433295 525106462 /nfs/dbraw/zinc/10/64/62/525106462.db2.gz IBBHSMMVTIKKPE-UHFFFAOYSA-N 1 2 350.382 1.848 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164727562 720446511 /nfs/dbraw/zinc/44/65/11/720446511.db2.gz DKKRAJMZOZEJLP-ZIAGYGMSSA-N 1 2 363.418 1.383 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164727562 720446523 /nfs/dbraw/zinc/44/65/23/720446523.db2.gz DKKRAJMZOZEJLP-ZIAGYGMSSA-N 1 2 363.418 1.383 20 70 FDIDLO CC[N@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000217229729 258395208 /nfs/dbraw/zinc/39/52/08/258395208.db2.gz ILEPSBSMVSYRBG-XYJFISCASA-N 1 2 359.470 1.750 20 70 FDIDLO CC[N@@H+](CC(=O)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000217229729 258395209 /nfs/dbraw/zinc/39/52/09/258395209.db2.gz ILEPSBSMVSYRBG-XYJFISCASA-N 1 2 359.470 1.750 20 70 FDIDLO O=C(NCc1nnc2n1CCCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159363879 524651497 /nfs/dbraw/zinc/65/14/97/524651497.db2.gz BJHRQXPIHAAYJV-UHFFFAOYSA-N 1 2 355.446 1.037 20 70 FDIDLO Cc1cc(NC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c[nH]c1=O ZINC000159389653 524660280 /nfs/dbraw/zinc/66/02/80/524660280.db2.gz YXYXCBSBWUPSKQ-UHFFFAOYSA-N 1 2 369.425 1.146 20 70 FDIDLO C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159449650 524672099 /nfs/dbraw/zinc/67/20/99/524672099.db2.gz BJUIOGDTCFPLGI-OAHLLOKOSA-N 1 2 374.485 1.312 20 70 FDIDLO C[N@H+](Cc1csc(CNC(=O)c2ccccc2)n1)CC(C)(CO)CO ZINC000159556858 524694709 /nfs/dbraw/zinc/69/47/09/524694709.db2.gz OUAYVBWGRXJBFY-UHFFFAOYSA-N 1 2 363.483 1.496 20 70 FDIDLO C[N@@H+](Cc1csc(CNC(=O)c2ccccc2)n1)CC(C)(CO)CO ZINC000159556858 524694720 /nfs/dbraw/zinc/69/47/20/524694720.db2.gz OUAYVBWGRXJBFY-UHFFFAOYSA-N 1 2 363.483 1.496 20 70 FDIDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 ZINC000159554759 524694967 /nfs/dbraw/zinc/69/49/67/524694967.db2.gz VLMQAEFMIWKURN-LSDHHAIUSA-N 1 2 365.499 1.243 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccc(Br)cc1F)CC(C)(CO)CO ZINC000159589360 524703141 /nfs/dbraw/zinc/70/31/41/524703141.db2.gz ZSCYMUZXLFXXRH-UHFFFAOYSA-N 1 2 363.227 1.449 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)CC(C)(CO)CO ZINC000159589360 524703153 /nfs/dbraw/zinc/70/31/53/524703153.db2.gz ZSCYMUZXLFXXRH-UHFFFAOYSA-N 1 2 363.227 1.449 20 70 FDIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000159713067 524725511 /nfs/dbraw/zinc/72/55/11/524725511.db2.gz MGORXBCVAYRRSD-DZGCQCFKSA-N 1 2 360.487 1.743 20 70 FDIDLO CCCCn1ncc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1C ZINC000159762126 524734892 /nfs/dbraw/zinc/73/48/92/524734892.db2.gz PKHKURGIFKUZLO-OAHLLOKOSA-N 1 2 353.467 1.148 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000159787911 524739202 /nfs/dbraw/zinc/73/92/02/524739202.db2.gz KQDKHGXRPJHJLA-UHFFFAOYSA-N 1 2 374.510 1.613 20 70 FDIDLO COCCCS(=O)(=O)N1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000160011996 524789455 /nfs/dbraw/zinc/78/94/55/524789455.db2.gz BFFZGWFTLWYJCW-UHFFFAOYSA-N 1 2 366.487 1.127 20 70 FDIDLO Cc1conc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000160071323 524801371 /nfs/dbraw/zinc/80/13/71/524801371.db2.gz HZGRYMXOHUEDPJ-UHFFFAOYSA-N 1 2 358.398 1.070 20 70 FDIDLO C[NH+](C)C[C@@H](O)COc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000160116129 524811345 /nfs/dbraw/zinc/81/13/45/524811345.db2.gz OEQYTJOTVWSXKN-CYBMUJFWSA-N 1 2 356.469 1.850 20 70 FDIDLO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000160122085 524813758 /nfs/dbraw/zinc/81/37/58/524813758.db2.gz IOPCAHMEGYDTBT-MRXNPFEDSA-N 1 2 370.428 1.878 20 70 FDIDLO Cc1ccc([C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)N2CCOCC2)cc1 ZINC000160147700 524818049 /nfs/dbraw/zinc/81/80/49/524818049.db2.gz JEJPLNRKUNFWEU-RTBURBONSA-N 1 2 368.481 1.944 20 70 FDIDLO C[C@H](CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccs1)[NH+]1CCN(C)CC1 ZINC000160155837 524820451 /nfs/dbraw/zinc/82/04/51/524820451.db2.gz DDGNSINESHHYJI-KEYYUXOJSA-N 1 2 364.515 1.020 20 70 FDIDLO CC(C)(C)OC(=O)NC1(C(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160189725 524826358 /nfs/dbraw/zinc/82/63/58/524826358.db2.gz VHWUCGUUKHOSQL-UHFFFAOYSA-N 1 2 360.458 1.783 20 70 FDIDLO CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160188791 524827489 /nfs/dbraw/zinc/82/74/89/524827489.db2.gz CBZCBWOEQNPRJO-KRWDZBQOSA-N 1 2 359.474 1.308 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160274312 524848700 /nfs/dbraw/zinc/84/87/00/524848700.db2.gz QAYQYZPNUXZFRG-GDBMZVCRSA-N 1 2 365.424 1.739 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160274312 524848710 /nfs/dbraw/zinc/84/87/10/524848710.db2.gz QAYQYZPNUXZFRG-GDBMZVCRSA-N 1 2 365.424 1.739 20 70 FDIDLO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160308532 524854769 /nfs/dbraw/zinc/85/47/69/524854769.db2.gz FPIVXYTZBGQFRA-GFCCVEGCSA-N 1 2 368.434 1.486 20 70 FDIDLO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000160308532 524854780 /nfs/dbraw/zinc/85/47/80/524854780.db2.gz FPIVXYTZBGQFRA-GFCCVEGCSA-N 1 2 368.434 1.486 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000160405454 524880853 /nfs/dbraw/zinc/88/08/53/524880853.db2.gz BSRUADMJGCZOTD-LLVKDONJSA-N 1 2 350.843 1.726 20 70 FDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160416782 524883451 /nfs/dbraw/zinc/88/34/51/524883451.db2.gz UVMKZNFYNRAQES-SFHVURJKSA-N 1 2 362.445 1.853 20 70 FDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160416782 524883460 /nfs/dbraw/zinc/88/34/60/524883460.db2.gz UVMKZNFYNRAQES-SFHVURJKSA-N 1 2 362.445 1.853 20 70 FDIDLO Cc1ccc([C@H](CNC(=O)c2cccc(=O)n2C)[NH+]2CCOCC2)cc1 ZINC000160521029 524907587 /nfs/dbraw/zinc/90/75/87/524907587.db2.gz WLAMSYYDHMGTJO-SFHVURJKSA-N 1 2 355.438 1.497 20 70 FDIDLO Cc1ccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCOCC2)cc1 ZINC000160703017 524951112 /nfs/dbraw/zinc/95/11/12/524951112.db2.gz MQVAQYURCDNGHE-AZUAARDMSA-N 1 2 361.486 1.925 20 70 FDIDLO COc1ncc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C(N)=O ZINC000160741214 524962614 /nfs/dbraw/zinc/96/26/14/524962614.db2.gz YIEBLCTUQJYVSA-MRXNPFEDSA-N 1 2 372.400 1.931 20 70 FDIDLO COc1ncc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C(N)=O ZINC000160741214 524962625 /nfs/dbraw/zinc/96/26/25/524962625.db2.gz YIEBLCTUQJYVSA-MRXNPFEDSA-N 1 2 372.400 1.931 20 70 FDIDLO C[NH+]1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 ZINC000160962204 525004594 /nfs/dbraw/zinc/00/45/94/525004594.db2.gz KPONECPPCUOMAF-UHFFFAOYSA-N 1 2 366.149 1.957 20 70 FDIDLO CCc1c(C(=O)NCc2ccc[nH+]c2N2CCOCC2)[nH]c(C)c1C(N)=O ZINC000160957846 525005239 /nfs/dbraw/zinc/00/52/39/525005239.db2.gz MPVBNJIZSOZDOL-UHFFFAOYSA-N 1 2 371.441 1.146 20 70 FDIDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC([C@H](C)O)CC3)nc(N)c21 ZINC000161060373 525023910 /nfs/dbraw/zinc/02/39/10/525023910.db2.gz KLJRTMFKQSLMAZ-JTQLQIEISA-N 1 2 362.430 1.883 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068207 525027389 /nfs/dbraw/zinc/02/73/89/525027389.db2.gz RFWRESCINMUUDE-QWHCGFSZSA-N 1 2 357.332 1.365 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068207 525027399 /nfs/dbraw/zinc/02/73/99/525027399.db2.gz RFWRESCINMUUDE-QWHCGFSZSA-N 1 2 357.332 1.365 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094370 525032094 /nfs/dbraw/zinc/03/20/94/525032094.db2.gz SAODERZDCKYCQH-LSDHHAIUSA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094370 525032104 /nfs/dbraw/zinc/03/21/04/525032104.db2.gz SAODERZDCKYCQH-LSDHHAIUSA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094250 525033219 /nfs/dbraw/zinc/03/32/19/525033219.db2.gz SAODERZDCKYCQH-GJZGRUSLSA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094250 525033231 /nfs/dbraw/zinc/03/32/31/525033231.db2.gz SAODERZDCKYCQH-GJZGRUSLSA-N 1 2 358.360 1.672 20 70 FDIDLO C[C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000161266345 525068768 /nfs/dbraw/zinc/06/87/68/525068768.db2.gz JLGFDMDPJPWBMM-QXSJWSMHSA-N 1 2 370.453 1.340 20 70 FDIDLO COc1ccc(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1OC ZINC000161299780 525074908 /nfs/dbraw/zinc/07/49/08/525074908.db2.gz NRAUFGPEMFEQCZ-CQSZACIVSA-N 1 2 359.426 1.830 20 70 FDIDLO Cc1cc(C)c(Br)c(C(=O)NC[C@@H]2C[NH+]3CCN2CC3)c1 ZINC000161315126 525077921 /nfs/dbraw/zinc/07/79/21/525077921.db2.gz CWZBHULCRMNNFS-CYBMUJFWSA-N 1 2 352.276 1.796 20 70 FDIDLO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccnc1 ZINC000161315984 525078848 /nfs/dbraw/zinc/07/88/48/525078848.db2.gz ZQWPYAWLBBLMKM-GJYPPUQNSA-N 1 2 365.437 1.391 20 70 FDIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@H+](CCO)Cc1cccnc1 ZINC000161354693 525085955 /nfs/dbraw/zinc/08/59/55/525085955.db2.gz GILYORDFUZLOKQ-HNNXBMFYSA-N 1 2 364.243 1.865 20 70 FDIDLO NC(=O)[C@H](c1cccc(Br)c1)[N@@H+](CCO)Cc1cccnc1 ZINC000161354693 525085969 /nfs/dbraw/zinc/08/59/69/525085969.db2.gz GILYORDFUZLOKQ-HNNXBMFYSA-N 1 2 364.243 1.865 20 70 FDIDLO O=S(=O)(NCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161508866 525121648 /nfs/dbraw/zinc/12/16/48/525121648.db2.gz KFRBTVFAHPTEAX-AWEZNQCLSA-N 1 2 366.405 1.600 20 70 FDIDLO O=C(CCCc1nc(C2CC2)no1)NCc1ccc[nH+]c1N1CCOCC1 ZINC000159501868 524684884 /nfs/dbraw/zinc/68/48/84/524684884.db2.gz YEXSLRXEIVIWJJ-UHFFFAOYSA-N 1 2 371.441 1.818 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000159496450 524685568 /nfs/dbraw/zinc/68/55/68/524685568.db2.gz VUOFJNIRVALFTP-UHFFFAOYSA-N 1 2 354.476 1.258 20 70 FDIDLO C[C@@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[NH+]1CCN(C)CC1 ZINC000159524015 524688904 /nfs/dbraw/zinc/68/89/04/524688904.db2.gz YEFVXJGRFIWKFU-RYUDHWBXSA-N 1 2 373.423 1.286 20 70 FDIDLO CC(C)CCn1ccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000159530839 524690092 /nfs/dbraw/zinc/69/00/92/524690092.db2.gz PLCRMLVWOALJIR-HNNXBMFYSA-N 1 2 353.467 1.086 20 70 FDIDLO CNS(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)co1 ZINC000159636194 524712880 /nfs/dbraw/zinc/71/28/80/524712880.db2.gz RWFLIPYHUUYKNC-UHFFFAOYSA-N 1 2 369.468 1.207 20 70 FDIDLO C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659407 524717492 /nfs/dbraw/zinc/71/74/92/524717492.db2.gz CRPREQRCTPGISE-RDJZCZTQSA-N 1 2 359.474 1.110 20 70 FDIDLO C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000160077452 524803573 /nfs/dbraw/zinc/80/35/73/524803573.db2.gz VTNVKTFVCDBSSI-IAGOWNOFSA-N 1 2 361.490 1.018 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2sc(C)nc2C)CC1 ZINC000160235423 524836016 /nfs/dbraw/zinc/83/60/16/524836016.db2.gz QNZZLPWNVLHJTE-UHFFFAOYSA-N 1 2 353.488 1.993 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2sc(C)nc2C)CC1 ZINC000160235423 524836024 /nfs/dbraw/zinc/83/60/24/524836024.db2.gz QNZZLPWNVLHJTE-UHFFFAOYSA-N 1 2 353.488 1.993 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000160365852 524868621 /nfs/dbraw/zinc/86/86/21/524868621.db2.gz WTCVEEWOADHQLY-GFCCVEGCSA-N 1 2 366.405 1.952 20 70 FDIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160370923 524870691 /nfs/dbraw/zinc/87/06/91/524870691.db2.gz SBYMHNCFAFTLGW-WBMJQRKESA-N 1 2 365.861 1.438 20 70 FDIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160370923 524870698 /nfs/dbraw/zinc/87/06/98/524870698.db2.gz SBYMHNCFAFTLGW-WBMJQRKESA-N 1 2 365.861 1.438 20 70 FDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1CSc1nc[nH]n1 ZINC000160374384 524872524 /nfs/dbraw/zinc/87/25/24/524872524.db2.gz XKCOOLDRIPJCJL-OAHLLOKOSA-N 1 2 373.482 1.690 20 70 FDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1CSc1nc[nH]n1 ZINC000160374384 524872533 /nfs/dbraw/zinc/87/25/33/524872533.db2.gz XKCOOLDRIPJCJL-OAHLLOKOSA-N 1 2 373.482 1.690 20 70 FDIDLO CC(C)(C)N1C[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000160605107 524926613 /nfs/dbraw/zinc/92/66/13/524926613.db2.gz SQSMXKCSANEARK-MRXNPFEDSA-N 1 2 359.474 1.308 20 70 FDIDLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000160785019 524969630 /nfs/dbraw/zinc/96/96/30/524969630.db2.gz YFXXAYXEXUTNKW-HZPDHXFCSA-N 1 2 367.515 1.733 20 70 FDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cccc3cccnc32)CC1 ZINC000160825086 524976190 /nfs/dbraw/zinc/97/61/90/524976190.db2.gz FGKIKYQJWBXHMZ-UHFFFAOYSA-N 1 2 363.483 1.453 20 70 FDIDLO CN(C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCOCC2)c(Cl)c1 ZINC000161141942 525041161 /nfs/dbraw/zinc/04/11/61/525041161.db2.gz PRFROMARUCBIGW-UHFFFAOYSA-N 1 2 354.838 1.496 20 70 FDIDLO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161173770 525048739 /nfs/dbraw/zinc/04/87/39/525048739.db2.gz NJOUNNINIYMTNQ-HNNXBMFYSA-N 1 2 368.437 1.955 20 70 FDIDLO C[N@@H+]1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342499 525084080 /nfs/dbraw/zinc/08/40/80/525084080.db2.gz LMZGHYMGNZCDRD-OLZOCXBDSA-N 1 2 354.813 1.541 20 70 FDIDLO C[N@H+]1CC[C@@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342499 525084083 /nfs/dbraw/zinc/08/40/83/525084083.db2.gz LMZGHYMGNZCDRD-OLZOCXBDSA-N 1 2 354.813 1.541 20 70 FDIDLO CN(C[C@@H]1CCC[C@@H]1O)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161336659 525085144 /nfs/dbraw/zinc/08/51/44/525085144.db2.gz TUBDZKRFEZEITI-HOCLYGCPSA-N 1 2 368.499 1.255 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161357155 525088777 /nfs/dbraw/zinc/08/87/77/525088777.db2.gz FPYMOHFOUCVBGA-INIZCTEOSA-N 1 2 373.478 1.813 20 70 FDIDLO Cc1cc(O)cc(=O)n1CC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000161457218 525111643 /nfs/dbraw/zinc/11/16/43/525111643.db2.gz WVJDZYZGBZHSAJ-UHFFFAOYSA-N 1 2 371.437 1.086 20 70 FDIDLO Cc1c(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cnn1CC(C)C ZINC000161479122 525115658 /nfs/dbraw/zinc/11/56/58/525115658.db2.gz LYBNZRGWAWMPFY-SFHVURJKSA-N 1 2 366.531 1.785 20 70 FDIDLO COc1cc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc(OC)c1 ZINC000161154976 258263610 /nfs/dbraw/zinc/26/36/10/258263610.db2.gz NJQWVQDCWBJUPL-UHFFFAOYSA-N 1 2 370.453 1.855 20 70 FDIDLO CSc1ccc(OCC[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000159448649 524671251 /nfs/dbraw/zinc/67/12/51/524671251.db2.gz ZNRSPRSMSNAUQK-UHFFFAOYSA-N 1 2 373.478 1.934 20 70 FDIDLO Cc1nn(C)c(C)c1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159479856 524680162 /nfs/dbraw/zinc/68/01/62/524680162.db2.gz ZBGDTVQHKBUBCG-UHFFFAOYSA-N 1 2 358.508 1.016 20 70 FDIDLO CC(C)OCCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000159535987 524692781 /nfs/dbraw/zinc/69/27/81/524692781.db2.gz UBOHEPGPPSPROQ-UHFFFAOYSA-N 1 2 366.487 1.684 20 70 FDIDLO CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589466 524704376 /nfs/dbraw/zinc/70/43/76/524704376.db2.gz NWYUGIXSVDDNCX-WMLDXEAASA-N 1 2 373.501 1.650 20 70 FDIDLO CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589466 524704381 /nfs/dbraw/zinc/70/43/81/524704381.db2.gz NWYUGIXSVDDNCX-WMLDXEAASA-N 1 2 373.501 1.650 20 70 FDIDLO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159617434 524708540 /nfs/dbraw/zinc/70/85/40/524708540.db2.gz RRTNGXCPZOGKDJ-GOSISDBHSA-N 1 2 368.499 1.116 20 70 FDIDLO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159617434 524708551 /nfs/dbraw/zinc/70/85/51/524708551.db2.gz RRTNGXCPZOGKDJ-GOSISDBHSA-N 1 2 368.499 1.116 20 70 FDIDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159684672 524721844 /nfs/dbraw/zinc/72/18/44/524721844.db2.gz JMDDDYKADVHFSB-CEXWTWQISA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159684672 524721853 /nfs/dbraw/zinc/72/18/53/524721853.db2.gz JMDDDYKADVHFSB-CEXWTWQISA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccccc1 ZINC000159708446 524725658 /nfs/dbraw/zinc/72/56/58/524725658.db2.gz CHSLMXYOZIPEJC-UHFFFAOYSA-N 1 2 354.410 1.482 20 70 FDIDLO COc1ccc(Br)c(CC(=O)N(C)CC[NH+]2CCOCC2)c1 ZINC000159856200 524753307 /nfs/dbraw/zinc/75/33/07/524753307.db2.gz CZWOGYKUBSTSEV-UHFFFAOYSA-N 1 2 371.275 1.791 20 70 FDIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCc1ncccc1F ZINC000159992208 524784634 /nfs/dbraw/zinc/78/46/34/524784634.db2.gz YHYCGHBANXLQEO-UHFFFAOYSA-N 1 2 365.430 1.486 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160316134 524856503 /nfs/dbraw/zinc/85/65/03/524856503.db2.gz CHCAVMKMLWGRMS-OAGGEKHMSA-N 1 2 351.447 1.598 20 70 FDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1CSc1nc[nH]n1 ZINC000160374473 524871498 /nfs/dbraw/zinc/87/14/98/524871498.db2.gz XKCOOLDRIPJCJL-HNNXBMFYSA-N 1 2 373.482 1.690 20 70 FDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1CSc1nc[nH]n1 ZINC000160374473 524871506 /nfs/dbraw/zinc/87/15/06/524871506.db2.gz XKCOOLDRIPJCJL-HNNXBMFYSA-N 1 2 373.482 1.690 20 70 FDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398284 524878361 /nfs/dbraw/zinc/87/83/61/524878361.db2.gz ZVYJDRVYOZGERH-DYVFJYSZSA-N 1 2 365.380 1.437 20 70 FDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398284 524878375 /nfs/dbraw/zinc/87/83/75/524878375.db2.gz ZVYJDRVYOZGERH-DYVFJYSZSA-N 1 2 365.380 1.437 20 70 FDIDLO Cc1cnc2c(cccc2S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000160408619 524881307 /nfs/dbraw/zinc/88/13/07/524881307.db2.gz GYNKACSCPNKVDX-HNNXBMFYSA-N 1 2 363.483 1.790 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160428189 524888266 /nfs/dbraw/zinc/88/82/66/524888266.db2.gz WIIBPNDWMNLWFH-HZPDHXFCSA-N 1 2 351.491 1.393 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160428189 524888274 /nfs/dbraw/zinc/88/82/74/524888274.db2.gz WIIBPNDWMNLWFH-HZPDHXFCSA-N 1 2 351.491 1.393 20 70 FDIDLO CNC(=O)C1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC000160439934 524889575 /nfs/dbraw/zinc/88/95/75/524889575.db2.gz GYORZQZBVFEIBA-UHFFFAOYSA-N 1 2 357.410 1.595 20 70 FDIDLO COCCCNC(=O)[C@@H](C)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000160589413 524922171 /nfs/dbraw/zinc/92/21/71/524922171.db2.gz FOVIYDFBNRFHLL-CQSZACIVSA-N 1 2 354.520 1.419 20 70 FDIDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc3c(c2)ncn3C)nc[nH+]1 ZINC000160649308 524937485 /nfs/dbraw/zinc/93/74/85/524937485.db2.gz HUXRQGFKTIXUJN-ZDUSSCGKSA-N 1 2 366.429 1.199 20 70 FDIDLO CNc1cc(N2CCC[C@H]2CNC(=O)c2cnc3c(c2)ncn3C)[nH+]cn1 ZINC000160649308 524937497 /nfs/dbraw/zinc/93/74/97/524937497.db2.gz HUXRQGFKTIXUJN-ZDUSSCGKSA-N 1 2 366.429 1.199 20 70 FDIDLO O=C(NCCn1cc[nH+]c1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160665499 524943249 /nfs/dbraw/zinc/94/32/49/524943249.db2.gz HAUPBNMLPPAVKY-AWEZNQCLSA-N 1 2 365.796 1.780 20 70 FDIDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1N(C)C ZINC000160828577 524978997 /nfs/dbraw/zinc/97/89/97/524978997.db2.gz IEJPBCPAUKVGIY-UHFFFAOYSA-N 1 2 355.504 1.138 20 70 FDIDLO O=C(NCCn1cc[nH+]c1)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000160892550 524991057 /nfs/dbraw/zinc/99/10/57/524991057.db2.gz IMPSWECNHBOZNE-UHFFFAOYSA-N 1 2 357.414 1.547 20 70 FDIDLO O=C(NOCc1cccnc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161028818 525018193 /nfs/dbraw/zinc/01/81/93/525018193.db2.gz YTTIWYSXRLYBDO-GOSISDBHSA-N 1 2 356.426 1.886 20 70 FDIDLO COc1ccccc1CNC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161226585 525059513 /nfs/dbraw/zinc/05/95/13/525059513.db2.gz OAMFIJQSHUNOTO-QGZVFWFLSA-N 1 2 368.481 1.913 20 70 FDIDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161287527 525073347 /nfs/dbraw/zinc/07/33/47/525073347.db2.gz BRYUBNHETXQSAD-PWSUYJOCSA-N 1 2 353.385 1.492 20 70 FDIDLO CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCc1cn3ccccc3[nH+]1)CC2 ZINC000161301979 525075785 /nfs/dbraw/zinc/07/57/85/525075785.db2.gz GGTPHJFVEHBRME-CVEARBPZSA-N 1 2 358.442 1.796 20 70 FDIDLO CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@H]1CCCO1 ZINC000161428785 525106588 /nfs/dbraw/zinc/10/65/88/525106588.db2.gz CHLKCKQVLIPXFO-HZPDHXFCSA-N 1 2 368.499 1.709 20 70 FDIDLO CC[C@H](C)OCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000161450068 525110125 /nfs/dbraw/zinc/11/01/25/525110125.db2.gz GGXJCEVYYNKLIK-INIZCTEOSA-N 1 2 350.459 1.829 20 70 FDIDLO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161182165 258263620 /nfs/dbraw/zinc/26/36/20/258263620.db2.gz OJHCSXRDUAZNRM-OAHLLOKOSA-N 1 2 367.453 1.325 20 70 FDIDLO C[C@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159459910 524673949 /nfs/dbraw/zinc/67/39/49/524673949.db2.gz RDMDNFRZWFDPNO-HOTGVXAUSA-N 1 2 361.552 1.499 20 70 FDIDLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159459794 524674184 /nfs/dbraw/zinc/67/41/84/524674184.db2.gz RDMDNFRZWFDPNO-IYBDPMFKSA-N 1 2 361.552 1.499 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000159484214 524680830 /nfs/dbraw/zinc/68/08/30/524680830.db2.gz XNLXMWMPTSQPRJ-UHFFFAOYSA-N 1 2 368.499 1.600 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159596205 524705318 /nfs/dbraw/zinc/70/53/18/524705318.db2.gz PIFGMWMZULJDEE-INIZCTEOSA-N 1 2 370.457 1.664 20 70 FDIDLO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159607666 524707520 /nfs/dbraw/zinc/70/75/20/524707520.db2.gz NPDWTURAHHUAFV-RYRKJORJSA-N 1 2 365.401 1.983 20 70 FDIDLO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159607666 524707533 /nfs/dbraw/zinc/70/75/33/524707533.db2.gz NPDWTURAHHUAFV-RYRKJORJSA-N 1 2 365.401 1.983 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC000159652374 524715050 /nfs/dbraw/zinc/71/50/50/524715050.db2.gz ICTWQMYPMCXWPB-SJORKVTESA-N 1 2 359.470 1.255 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC000159652374 524715061 /nfs/dbraw/zinc/71/50/61/524715061.db2.gz ICTWQMYPMCXWPB-SJORKVTESA-N 1 2 359.470 1.255 20 70 FDIDLO C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccc(O)c1 ZINC000159773282 524736329 /nfs/dbraw/zinc/73/63/29/524736329.db2.gz DUNAOYPUBLZATG-OAHLLOKOSA-N 1 2 374.485 1.697 20 70 FDIDLO O=C(N[C@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159827223 524746844 /nfs/dbraw/zinc/74/68/44/524746844.db2.gz OZLDLELKXNLRDH-HNNXBMFYSA-N 1 2 371.407 1.545 20 70 FDIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160370805 524870902 /nfs/dbraw/zinc/87/09/02/524870902.db2.gz SBYMHNCFAFTLGW-LRDDRELGSA-N 1 2 365.861 1.438 20 70 FDIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160370805 524870913 /nfs/dbraw/zinc/87/09/13/524870913.db2.gz SBYMHNCFAFTLGW-LRDDRELGSA-N 1 2 365.861 1.438 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160428455 524888178 /nfs/dbraw/zinc/88/81/78/524888178.db2.gz WIIBPNDWMNLWFH-JKSUJKDBSA-N 1 2 351.491 1.393 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160428455 524888184 /nfs/dbraw/zinc/88/81/84/524888184.db2.gz WIIBPNDWMNLWFH-JKSUJKDBSA-N 1 2 351.491 1.393 20 70 FDIDLO NC(=O)CCNC(=O)[C@H](Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000160886597 524990960 /nfs/dbraw/zinc/99/09/60/524990960.db2.gz MHFFEMXQINFJCA-HNNXBMFYSA-N 1 2 353.426 1.369 20 70 FDIDLO O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160974799 525008846 /nfs/dbraw/zinc/00/88/46/525008846.db2.gz MDADMQQGJRWIAL-BZSNNMDCSA-N 1 2 356.470 1.866 20 70 FDIDLO CCC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161081578 525029066 /nfs/dbraw/zinc/02/90/66/525029066.db2.gz FLBTVBDMLKIUQK-CYBMUJFWSA-N 1 2 359.517 1.379 20 70 FDIDLO CCC[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@@H]1CCS(=O)(=O)C1 ZINC000161081578 525029077 /nfs/dbraw/zinc/02/90/77/525029077.db2.gz FLBTVBDMLKIUQK-CYBMUJFWSA-N 1 2 359.517 1.379 20 70 FDIDLO O=C(NC1CC1)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161108019 525034477 /nfs/dbraw/zinc/03/44/77/525034477.db2.gz JOCYUZKQOFWMOB-WBVHZDCISA-N 1 2 352.438 1.452 20 70 FDIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000161144760 525043593 /nfs/dbraw/zinc/04/35/93/525043593.db2.gz HNCBZLMWVZFNIQ-ZDUSSCGKSA-N 1 2 362.455 1.578 20 70 FDIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000161144760 525043601 /nfs/dbraw/zinc/04/36/01/525043601.db2.gz HNCBZLMWVZFNIQ-ZDUSSCGKSA-N 1 2 362.455 1.578 20 70 FDIDLO COCCC1(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000161157036 525045711 /nfs/dbraw/zinc/04/57/11/525045711.db2.gz XGQCMDMRYDGZFT-UHFFFAOYSA-N 1 2 360.458 1.053 20 70 FDIDLO O=C(CN1CC[NH2+]CC1=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161177551 525050911 /nfs/dbraw/zinc/05/09/11/525050911.db2.gz JHOUQIUQAPYMLJ-UHFFFAOYSA-N 1 2 369.387 1.675 20 70 FDIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161216193 525055639 /nfs/dbraw/zinc/05/56/39/525055639.db2.gz SUUQTWIOZYKAJF-MSOLQXFVSA-N 1 2 363.502 1.984 20 70 FDIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161216193 525055651 /nfs/dbraw/zinc/05/56/51/525055651.db2.gz SUUQTWIOZYKAJF-MSOLQXFVSA-N 1 2 363.502 1.984 20 70 FDIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCCOC1CCCC1 ZINC000161242704 525062023 /nfs/dbraw/zinc/06/20/23/525062023.db2.gz OJGKGGKGIZQBCX-UHFFFAOYSA-N 1 2 368.499 1.711 20 70 FDIDLO Cc1c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cccc1S(N)(=O)=O ZINC000161472415 525116317 /nfs/dbraw/zinc/11/63/17/525116317.db2.gz FKSREEQNWWBNIQ-CYBMUJFWSA-N 1 2 360.439 1.046 20 70 FDIDLO COc1cc(OC)c(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000161505637 525119407 /nfs/dbraw/zinc/11/94/07/525119407.db2.gz NESPCFMGMFZTSM-ZDUSSCGKSA-N 1 2 359.426 1.830 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164730744 720484317 /nfs/dbraw/zinc/48/43/17/720484317.db2.gz VEEGTRSZUUXCLR-HOTGVXAUSA-N 1 2 362.430 1.988 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164730744 720484327 /nfs/dbraw/zinc/48/43/27/720484327.db2.gz VEEGTRSZUUXCLR-HOTGVXAUSA-N 1 2 362.430 1.988 20 70 FDIDLO CS(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160441468 173711385 /nfs/dbraw/zinc/71/13/85/173711385.db2.gz IZOVUVUNCAFJIY-CQSZACIVSA-N 1 2 360.439 1.886 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)N(C)CCOC)CC2)s1 ZINC000159585643 524702650 /nfs/dbraw/zinc/70/26/50/524702650.db2.gz NERDPUGXTIHVNR-UHFFFAOYSA-N 1 2 361.533 1.251 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159680389 524719276 /nfs/dbraw/zinc/71/92/76/524719276.db2.gz IJHRMURVFQCXKL-INIZCTEOSA-N 1 2 367.877 1.920 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159680389 524719283 /nfs/dbraw/zinc/71/92/83/524719283.db2.gz IJHRMURVFQCXKL-INIZCTEOSA-N 1 2 367.877 1.920 20 70 FDIDLO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159684531 524721572 /nfs/dbraw/zinc/72/15/72/524721572.db2.gz JMDDDYKADVHFSB-GBESFXJTSA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159684531 524721581 /nfs/dbraw/zinc/72/15/81/524721581.db2.gz JMDDDYKADVHFSB-GBESFXJTSA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159743017 524731932 /nfs/dbraw/zinc/73/19/32/524731932.db2.gz QYBQLFAEJSJOME-DLBZAZTESA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159743017 524731941 /nfs/dbraw/zinc/73/19/41/524731941.db2.gz QYBQLFAEJSJOME-DLBZAZTESA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1cccc(OCCNC(=O)[C@@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159782904 524737471 /nfs/dbraw/zinc/73/74/71/524737471.db2.gz LOHGYWFGZHMWFJ-MRXNPFEDSA-N 1 2 352.500 1.944 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1cccc(F)c1 ZINC000159952809 524776166 /nfs/dbraw/zinc/77/61/66/524776166.db2.gz UUKKXSKVCMTAHI-UHFFFAOYSA-N 1 2 372.400 1.621 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000160041268 524793632 /nfs/dbraw/zinc/79/36/32/524793632.db2.gz WGZSHGBAZCGEMB-CQSZACIVSA-N 1 2 366.462 1.347 20 70 FDIDLO CN(CC1(O)CCCC1)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160102873 524809857 /nfs/dbraw/zinc/80/98/57/524809857.db2.gz HFNIQXRRCRYNAP-UHFFFAOYSA-N 1 2 368.499 1.399 20 70 FDIDLO O=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160173415 524824462 /nfs/dbraw/zinc/82/44/62/524824462.db2.gz IKHKPYUOXDAOEQ-AWEZNQCLSA-N 1 2 350.386 1.458 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1CC ZINC000160336797 524861172 /nfs/dbraw/zinc/86/11/72/524861172.db2.gz VPMJFXBSAITRCI-DYVFJYSZSA-N 1 2 372.473 1.884 20 70 FDIDLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160353007 524864109 /nfs/dbraw/zinc/86/41/09/524864109.db2.gz VLLNXYMIWDNMAD-JSGCOSHPSA-N 1 2 362.455 1.231 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cc(F)ccc1Cl)C[NH+]1CCOCC1 ZINC000160397847 524877795 /nfs/dbraw/zinc/87/77/95/524877795.db2.gz DNOFNKIWYAYXBM-LLVKDONJSA-N 1 2 350.843 1.726 20 70 FDIDLO O=C(CCN1C(=O)CCc2ccccc21)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160400935 524878597 /nfs/dbraw/zinc/87/85/97/524878597.db2.gz GFMOCLKTRNOSCX-KRWDZBQOSA-N 1 2 357.454 1.335 20 70 FDIDLO O=C(CCN1C(=O)CCc2ccccc21)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160400935 524878604 /nfs/dbraw/zinc/87/86/04/524878604.db2.gz GFMOCLKTRNOSCX-KRWDZBQOSA-N 1 2 357.454 1.335 20 70 FDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398420 524878890 /nfs/dbraw/zinc/87/88/90/524878890.db2.gz ZVYJDRVYOZGERH-CXAGYDPISA-N 1 2 365.380 1.437 20 70 FDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398420 524878900 /nfs/dbraw/zinc/87/89/00/524878900.db2.gz ZVYJDRVYOZGERH-CXAGYDPISA-N 1 2 365.380 1.437 20 70 FDIDLO Cc1cc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)ccc1-n1cnnn1 ZINC000160637801 524934800 /nfs/dbraw/zinc/93/48/00/524934800.db2.gz XNMJGHIJOJWDHR-OAHLLOKOSA-N 1 2 364.413 1.766 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160681750 524946568 /nfs/dbraw/zinc/94/65/68/524946568.db2.gz SSBITDZDXCWCFR-UHFFFAOYSA-N 1 2 367.453 1.903 20 70 FDIDLO Cc1cc([C@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)ccc1F ZINC000160734559 524959490 /nfs/dbraw/zinc/95/94/90/524959490.db2.gz QQYPQGMSONLRPW-QGZVFWFLSA-N 1 2 351.422 1.549 20 70 FDIDLO COc1cc(C)c(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000160817990 524977083 /nfs/dbraw/zinc/97/70/83/524977083.db2.gz JIBZADVKRUUMCC-UHFFFAOYSA-N 1 2 356.488 1.389 20 70 FDIDLO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000161033664 525020733 /nfs/dbraw/zinc/02/07/33/525020733.db2.gz QJEBNOPUIJAUAX-SFHVURJKSA-N 1 2 370.453 1.909 20 70 FDIDLO C[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)[C@@H](C)[NH+]1CCOCC1 ZINC000161115868 525036978 /nfs/dbraw/zinc/03/69/78/525036978.db2.gz QZRXTRGPADLNLS-KFWWJZLASA-N 1 2 353.488 1.940 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCC(c2ccccc2)=N1 ZINC000161197186 525052766 /nfs/dbraw/zinc/05/27/66/525052766.db2.gz XCAQWKIPRIQNPY-UHFFFAOYSA-N 1 2 363.465 1.836 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(C(=O)C(=O)Nc3nocc3C)CC2)s1 ZINC000161319148 525080728 /nfs/dbraw/zinc/08/07/28/525080728.db2.gz YKUJTSJUFIHUDQ-UHFFFAOYSA-N 1 2 362.455 1.890 20 70 FDIDLO CN(C[C@H]1CCC[C@H]1O)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161337029 525083818 /nfs/dbraw/zinc/08/38/18/525083818.db2.gz TUBDZKRFEZEITI-GDBMZVCRSA-N 1 2 368.499 1.255 20 70 FDIDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H](CO)CC(C)(C)C)nc2)CC1 ZINC000161458806 525114563 /nfs/dbraw/zinc/11/45/63/525114563.db2.gz CNAOKJHDARSPEQ-CQSZACIVSA-N 1 2 370.519 1.227 20 70 FDIDLO COc1cc(OC)c(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000161505519 525119270 /nfs/dbraw/zinc/11/92/70/525119270.db2.gz NESPCFMGMFZTSM-CYBMUJFWSA-N 1 2 359.426 1.830 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164727558 720446180 /nfs/dbraw/zinc/44/61/80/720446180.db2.gz DKKRAJMZOZEJLP-KGLIPLIRSA-N 1 2 363.418 1.383 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164727558 720446193 /nfs/dbraw/zinc/44/61/93/720446193.db2.gz DKKRAJMZOZEJLP-KGLIPLIRSA-N 1 2 363.418 1.383 20 70 FDIDLO O=C(NCc1cccc2c1OCO2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159522749 524689785 /nfs/dbraw/zinc/68/97/85/524689785.db2.gz NVRHAUCUAWECEQ-UHFFFAOYSA-N 1 2 354.410 1.838 20 70 FDIDLO Cn1cc(N2CCC[C@H]([NH+]3CCN(c4ccc(Cl)cn4)CC3)C2=O)cn1 ZINC000159696132 524723639 /nfs/dbraw/zinc/72/36/39/524723639.db2.gz GZEYBVREPZXIBQ-INIZCTEOSA-N 1 2 374.876 1.786 20 70 FDIDLO Cc1noc(C)c1C[NH+]1CCN([C@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000159714505 524724461 /nfs/dbraw/zinc/72/44/61/524724461.db2.gz FDCGTGNZSINLFZ-SFHVURJKSA-N 1 2 372.473 1.338 20 70 FDIDLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NCCCn2cc[nH+]c2)c1 ZINC000159923391 524768313 /nfs/dbraw/zinc/76/83/13/524768313.db2.gz HUELMBYLPIZXOV-UHFFFAOYSA-N 1 2 366.425 1.831 20 70 FDIDLO C[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)CC1(C)OCCO1 ZINC000160176860 524825357 /nfs/dbraw/zinc/82/53/57/524825357.db2.gz BIDAAXJLDQQUBC-CQSZACIVSA-N 1 2 359.430 1.856 20 70 FDIDLO CCn1cc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)cn1 ZINC000160279973 524847231 /nfs/dbraw/zinc/84/72/31/524847231.db2.gz KSKAELAVZLGIGP-UHFFFAOYSA-N 1 2 350.444 1.491 20 70 FDIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCCC[C@H]1C ZINC000160296786 524852559 /nfs/dbraw/zinc/85/25/59/524852559.db2.gz YFWYGWCSZLZQMH-SJORKVTESA-N 1 2 373.501 1.698 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000160356146 524867581 /nfs/dbraw/zinc/86/75/81/524867581.db2.gz LXLRHNBAPDHLKR-ZFWWWQNUSA-N 1 2 360.458 1.860 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cccc2c1N=S=N2)C[NH+]1CCOCC1 ZINC000160366579 524869599 /nfs/dbraw/zinc/86/95/99/524869599.db2.gz SPPKRZUJKFDQNM-NSHDSACASA-N 1 2 356.473 1.660 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)C[NH+]1CCOCC1 ZINC000160394813 524879306 /nfs/dbraw/zinc/87/93/06/524879306.db2.gz DCLPYRCCFXFFKT-JTQLQIEISA-N 1 2 352.378 1.351 20 70 FDIDLO Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)c(C)o1 ZINC000160450241 524892356 /nfs/dbraw/zinc/89/23/56/524892356.db2.gz DXCLPJZIUIDKON-OAHLLOKOSA-N 1 2 356.426 1.640 20 70 FDIDLO O=C(Nc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1)[C@H]1CCCO1 ZINC000160459233 524893829 /nfs/dbraw/zinc/89/38/29/524893829.db2.gz IQGUCOJEDWHSKH-NVXWUHKLSA-N 1 2 368.437 1.879 20 70 FDIDLO COCCC1(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000160470138 524896341 /nfs/dbraw/zinc/89/63/41/524896341.db2.gz RMUWRGCLTBQJCN-UHFFFAOYSA-N 1 2 362.470 1.831 20 70 FDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000160543991 524912000 /nfs/dbraw/zinc/91/20/00/524912000.db2.gz GIOLWIPENOCEAZ-KURKYZTESA-N 1 2 350.507 1.365 20 70 FDIDLO CCCOc1cccc(C[N@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000160603901 524927369 /nfs/dbraw/zinc/92/73/69/524927369.db2.gz FUAXHQQCKNXZDP-MRXNPFEDSA-N 1 2 368.499 1.601 20 70 FDIDLO CCCOc1cccc(C[N@@H+](CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000160603901 524927379 /nfs/dbraw/zinc/92/73/79/524927379.db2.gz FUAXHQQCKNXZDP-MRXNPFEDSA-N 1 2 368.499 1.601 20 70 FDIDLO O=C(NCC[NH+]1CCOCC1)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000160935627 524999623 /nfs/dbraw/zinc/99/96/23/524999623.db2.gz DKRHWIBPNYSDOG-OAHLLOKOSA-N 1 2 368.865 1.620 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCc2ccccc2C1 ZINC000161073375 525028687 /nfs/dbraw/zinc/02/86/87/525028687.db2.gz JJSYZZJJOBHIHP-UHFFFAOYSA-N 1 2 359.451 1.639 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCc2ccccc2C1 ZINC000161073375 525028699 /nfs/dbraw/zinc/02/86/99/525028699.db2.gz JJSYZZJJOBHIHP-UHFFFAOYSA-N 1 2 359.451 1.639 20 70 FDIDLO Cc1nn(C)c(C)c1CCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161119153 525037091 /nfs/dbraw/zinc/03/70/91/525037091.db2.gz CGAQPBQQBKMSQV-UHFFFAOYSA-N 1 2 370.501 1.892 20 70 FDIDLO CCOC(=O)[C@@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161204937 525053315 /nfs/dbraw/zinc/05/33/15/525053315.db2.gz QUXGAECEXYKMAF-SFHVURJKSA-N 1 2 374.485 1.143 20 70 FDIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000161292003 525074001 /nfs/dbraw/zinc/07/40/01/525074001.db2.gz AKVXIXVEYQBJMW-AWEZNQCLSA-N 1 2 371.441 1.771 20 70 FDIDLO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161437374 525108439 /nfs/dbraw/zinc/10/84/39/525108439.db2.gz FNYWTEJKUMAPBX-NEPJUHHUSA-N 1 2 351.353 1.280 20 70 FDIDLO O=C(NC[C@H](O)COc1ccc(F)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161437640 525108696 /nfs/dbraw/zinc/10/86/96/525108696.db2.gz FNYWTEJKUMAPBX-RYUDHWBXSA-N 1 2 351.353 1.280 20 70 FDIDLO CCOc1cccc(N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000161473353 525116781 /nfs/dbraw/zinc/11/67/81/525116781.db2.gz HYKPRWTWHNCSHY-OAHLLOKOSA-N 1 2 355.442 1.588 20 70 FDIDLO Cc1cc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cnc1Cl ZINC000159367495 524653971 /nfs/dbraw/zinc/65/39/71/524653971.db2.gz MQYCTFLEDBJOJB-LBPRGKRZSA-N 1 2 352.847 1.996 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000159467474 524677434 /nfs/dbraw/zinc/67/74/34/524677434.db2.gz QEIXAUZEJFARKZ-CYBMUJFWSA-N 1 2 353.488 1.106 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000159467474 524677444 /nfs/dbraw/zinc/67/74/44/524677444.db2.gz QEIXAUZEJFARKZ-CYBMUJFWSA-N 1 2 353.488 1.106 20 70 FDIDLO Cc1noc(C)c1C[NH+]1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000159714335 524726060 /nfs/dbraw/zinc/72/60/60/524726060.db2.gz FDCGTGNZSINLFZ-GOSISDBHSA-N 1 2 372.473 1.338 20 70 FDIDLO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(=O)[nH][nH]1 ZINC000159765672 524734748 /nfs/dbraw/zinc/73/47/48/524734748.db2.gz CRGXUQIGQYDZTC-AWEZNQCLSA-N 1 2 367.413 1.302 20 70 FDIDLO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(=O)[nH][nH]1 ZINC000159765672 524734754 /nfs/dbraw/zinc/73/47/54/524734754.db2.gz CRGXUQIGQYDZTC-AWEZNQCLSA-N 1 2 367.413 1.302 20 70 FDIDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159816269 524744523 /nfs/dbraw/zinc/74/45/23/524744523.db2.gz OHIORGYIIVIOHD-CQSZACIVSA-N 1 2 367.881 1.287 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159979638 524779233 /nfs/dbraw/zinc/77/92/33/524779233.db2.gz MUPXPAJJJXXPGG-WDEREUQCSA-N 1 2 360.380 1.370 20 70 FDIDLO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)[nH+]c1 ZINC000160076707 524803402 /nfs/dbraw/zinc/80/34/02/524803402.db2.gz VYCVVDQHHAIXBO-HUUCEWRRSA-N 1 2 350.463 1.608 20 70 FDIDLO CCOCCC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCC1 ZINC000160094338 524808005 /nfs/dbraw/zinc/80/80/05/524808005.db2.gz VQQGUBCCFDOFOX-UHFFFAOYSA-N 1 2 360.502 1.917 20 70 FDIDLO C[C@H](O)C[C@H]1CCCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160107465 524809051 /nfs/dbraw/zinc/80/90/51/524809051.db2.gz NGJNHMDJBODRMQ-LSDHHAIUSA-N 1 2 368.499 1.397 20 70 FDIDLO CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160118478 524811622 /nfs/dbraw/zinc/81/16/22/524811622.db2.gz VWNSZFGHZDFUAQ-CQSZACIVSA-N 1 2 360.439 1.886 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c(Cl)n(C)nc2C(C)C)CC1 ZINC000160274171 524847347 /nfs/dbraw/zinc/84/73/47/524847347.db2.gz RBIZINBSRIZQSG-UHFFFAOYSA-N 1 2 369.897 1.481 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c(Cl)n(C)nc2C(C)C)CC1 ZINC000160274171 524847356 /nfs/dbraw/zinc/84/73/56/524847356.db2.gz RBIZINBSRIZQSG-UHFFFAOYSA-N 1 2 369.897 1.481 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000160295391 524852399 /nfs/dbraw/zinc/85/23/99/524852399.db2.gz HCXFXRAHEIYPPL-KRWDZBQOSA-N 1 2 352.500 1.821 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000160295391 524852412 /nfs/dbraw/zinc/85/24/12/524852412.db2.gz HCXFXRAHEIYPPL-KRWDZBQOSA-N 1 2 352.500 1.821 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H]1CCCCNC1=O ZINC000160298668 524855066 /nfs/dbraw/zinc/85/50/66/524855066.db2.gz ZSJODCBCYPZJBS-AWEZNQCLSA-N 1 2 361.471 1.532 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@H]1CCCCNC1=O ZINC000160298668 524855071 /nfs/dbraw/zinc/85/50/71/524855071.db2.gz ZSJODCBCYPZJBS-AWEZNQCLSA-N 1 2 361.471 1.532 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160316249 524855478 /nfs/dbraw/zinc/85/54/78/524855478.db2.gz CHCAVMKMLWGRMS-JYJNAYRXSA-N 1 2 351.447 1.598 20 70 FDIDLO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387424 524876997 /nfs/dbraw/zinc/87/69/97/524876997.db2.gz KTKIGIYCUKBGCK-ICSRJNTNSA-N 1 2 373.497 1.869 20 70 FDIDLO CC(C)CC(=O)N[C@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387424 524877008 /nfs/dbraw/zinc/87/70/08/524877008.db2.gz KTKIGIYCUKBGCK-ICSRJNTNSA-N 1 2 373.497 1.869 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)Cc1ccco1 ZINC000160570712 524918553 /nfs/dbraw/zinc/91/85/53/524918553.db2.gz WSTMXVPNZBBNQW-UHFFFAOYSA-N 1 2 358.398 1.417 20 70 FDIDLO Cc1nc([C@@H](NC(=O)NCC[NH+]2CCOCC2)c2ccccc2F)no1 ZINC000160874180 524987434 /nfs/dbraw/zinc/98/74/34/524987434.db2.gz GVMCRJLHXAAMPB-HNNXBMFYSA-N 1 2 363.393 1.238 20 70 FDIDLO O=C(Cn1cc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cn1)NC1CCCC1 ZINC000161023268 525018513 /nfs/dbraw/zinc/01/85/13/525018513.db2.gz XQAZGFRGXKBNBJ-CYBMUJFWSA-N 1 2 356.430 1.340 20 70 FDIDLO CC(=O)Nc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161153078 525043697 /nfs/dbraw/zinc/04/36/97/525043697.db2.gz REXAYEOKKGELGV-UHFFFAOYSA-N 1 2 367.453 1.796 20 70 FDIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161216425 525058046 /nfs/dbraw/zinc/05/80/46/525058046.db2.gz SUUQTWIOZYKAJF-ROUUACIJSA-N 1 2 363.502 1.984 20 70 FDIDLO CC(C)(C)[C@H](CCO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161216425 525058056 /nfs/dbraw/zinc/05/80/56/525058056.db2.gz SUUQTWIOZYKAJF-ROUUACIJSA-N 1 2 363.502 1.984 20 70 FDIDLO CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161287790 525073243 /nfs/dbraw/zinc/07/32/43/525073243.db2.gz BRYUBNHETXQSAD-ZYHUDNBSSA-N 1 2 353.385 1.492 20 70 FDIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000161330171 525083631 /nfs/dbraw/zinc/08/36/31/525083631.db2.gz ARYQKGZPTBMNKF-YOEHRIQHSA-N 1 2 372.387 1.742 20 70 FDIDLO O=C(CN1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1)NC1CCCCC1 ZINC000161380145 525097711 /nfs/dbraw/zinc/09/77/11/525097711.db2.gz RTROCDISIIXUIP-MRXNPFEDSA-N 1 2 373.501 1.039 20 70 FDIDLO Cc1ccccc1[C@@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)NC(N)=O ZINC000161424950 525105048 /nfs/dbraw/zinc/10/50/48/525105048.db2.gz XZBLFELQTZXREZ-NVXWUHKLSA-N 1 2 367.453 1.885 20 70 FDIDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H](CO)CC(C)(C)C)nc2)CC1 ZINC000161458682 525112333 /nfs/dbraw/zinc/11/23/33/525112333.db2.gz CNAOKJHDARSPEQ-AWEZNQCLSA-N 1 2 370.519 1.227 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159596315 524707054 /nfs/dbraw/zinc/70/70/54/524707054.db2.gz PIFGMWMZULJDEE-MRXNPFEDSA-N 1 2 370.457 1.664 20 70 FDIDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159684393 524722012 /nfs/dbraw/zinc/72/20/12/524722012.db2.gz JMDDDYKADVHFSB-GUDVDZBRSA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159684393 524722023 /nfs/dbraw/zinc/72/20/23/524722023.db2.gz JMDDDYKADVHFSB-GUDVDZBRSA-N 1 2 373.497 1.681 20 70 FDIDLO Cc1c(CNC(=O)NC[C@@H](c2cccc(C)c2)[NH+]2CCOCC2)cnn1C ZINC000159742839 524730536 /nfs/dbraw/zinc/73/05/36/524730536.db2.gz RJOVTLSTQNZAMI-IBGZPJMESA-N 1 2 371.485 1.910 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCCCOc1ccccc1F ZINC000159779397 524736970 /nfs/dbraw/zinc/73/69/70/524736970.db2.gz PFWZXAIMHWLFCJ-UHFFFAOYSA-N 1 2 356.463 1.776 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000159779383 524737621 /nfs/dbraw/zinc/73/76/21/524737621.db2.gz ITXFERJORZZUAA-SFHVURJKSA-N 1 2 368.437 1.346 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000159779383 524737626 /nfs/dbraw/zinc/73/76/26/524737626.db2.gz ITXFERJORZZUAA-SFHVURJKSA-N 1 2 368.437 1.346 20 70 FDIDLO Cc1cnccc1CCNC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000159899970 524762862 /nfs/dbraw/zinc/76/28/62/524762862.db2.gz NPPIFEVUYFVXFS-GOSISDBHSA-N 1 2 364.515 1.440 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NC(C1CC1)C1CC1 ZINC000159919929 524768497 /nfs/dbraw/zinc/76/84/97/524768497.db2.gz MAWQFDLYQLLVGN-UHFFFAOYSA-N 1 2 358.442 1.470 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000160076793 524804146 /nfs/dbraw/zinc/80/41/46/524804146.db2.gz QGXZJJUAODROOK-UHFFFAOYSA-N 1 2 366.487 1.811 20 70 FDIDLO C[C@@H](O)C[C@@H]1CCCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160107340 524810906 /nfs/dbraw/zinc/81/09/06/524810906.db2.gz NGJNHMDJBODRMQ-CABCVRRESA-N 1 2 368.499 1.397 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000160266824 524845443 /nfs/dbraw/zinc/84/54/43/524845443.db2.gz HLAZKIWOVTXTMM-UHFFFAOYSA-N 1 2 362.455 1.720 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000160266824 524845451 /nfs/dbraw/zinc/84/54/51/524845451.db2.gz HLAZKIWOVTXTMM-UHFFFAOYSA-N 1 2 362.455 1.720 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCCN(C(C)=O)CC3)c2c1 ZINC000160352684 524865111 /nfs/dbraw/zinc/86/51/11/524865111.db2.gz VSNYMDUQQIMAOK-UHFFFAOYSA-N 1 2 357.410 1.691 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCCN(C(C)=O)CC3)c2c1 ZINC000160352684 524865117 /nfs/dbraw/zinc/86/51/17/524865117.db2.gz VSNYMDUQQIMAOK-UHFFFAOYSA-N 1 2 357.410 1.691 20 70 FDIDLO COC[C@H](C)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160356786 524866290 /nfs/dbraw/zinc/86/62/90/524866290.db2.gz UAVISYYZTZHNPN-INIZCTEOSA-N 1 2 355.504 1.105 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)C[NH+]1CCOCC1 ZINC000160413325 524883307 /nfs/dbraw/zinc/88/33/07/524883307.db2.gz LJNMNGHXGXPEBP-OAHLLOKOSA-N 1 2 352.500 1.812 20 70 FDIDLO CC[C@H](C)[C@@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160433265 524886567 /nfs/dbraw/zinc/88/65/67/524886567.db2.gz ROEJYTQANLYCAG-HOTGVXAUSA-N 1 2 362.474 1.034 20 70 FDIDLO CC[C@@H](C)[C@@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160433149 524888128 /nfs/dbraw/zinc/88/81/28/524888128.db2.gz ROEJYTQANLYCAG-CVEARBPZSA-N 1 2 362.474 1.034 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)Cc1ccccc1 ZINC000160446317 524891171 /nfs/dbraw/zinc/89/11/71/524891171.db2.gz OBMXLDSXENGPME-UHFFFAOYSA-N 1 2 368.437 1.824 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CCC[N@@H+](Cc3nc(CC)cc(=O)[nH]3)CC2)n1 ZINC000160580650 524920502 /nfs/dbraw/zinc/92/05/02/524920502.db2.gz GJOGECZCQXVHGE-UHFFFAOYSA-N 1 2 372.473 1.511 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000160600101 524924508 /nfs/dbraw/zinc/92/45/08/524924508.db2.gz IDPBUJQEJZCZDL-OAHLLOKOSA-N 1 2 361.486 1.913 20 70 FDIDLO CCC(CC)c1cc(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000160992448 525010782 /nfs/dbraw/zinc/01/07/82/525010782.db2.gz NYXVGQCIGGALRR-UHFFFAOYSA-N 1 2 372.473 1.920 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)CN2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000161141563 525042146 /nfs/dbraw/zinc/04/21/46/525042146.db2.gz GBFRRJXJXYQNTI-UHFFFAOYSA-N 1 2 374.485 1.001 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC000161141563 525042157 /nfs/dbraw/zinc/04/21/57/525042157.db2.gz GBFRRJXJXYQNTI-UHFFFAOYSA-N 1 2 374.485 1.001 20 70 FDIDLO CC[N@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000161206244 525053510 /nfs/dbraw/zinc/05/35/10/525053510.db2.gz GSKGOWYSDPTKNK-ZDUSSCGKSA-N 1 2 362.455 1.578 20 70 FDIDLO CC[N@@H+](Cc1ccccn1)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000161206244 525053515 /nfs/dbraw/zinc/05/35/15/525053515.db2.gz GSKGOWYSDPTKNK-ZDUSSCGKSA-N 1 2 362.455 1.578 20 70 FDIDLO Cc1nc(CC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(C)s1 ZINC000161247493 525065186 /nfs/dbraw/zinc/06/51/86/525065186.db2.gz NOMGUPLVYHFWAZ-MRXNPFEDSA-N 1 2 355.529 1.627 20 70 FDIDLO O=C(CNC(=O)N[C@@H]1CCCN(c2cccc[nH+]2)C1)NC1CCCCC1 ZINC000161292219 525074212 /nfs/dbraw/zinc/07/42/12/525074212.db2.gz HVFYJDZIYKIZIQ-MRXNPFEDSA-N 1 2 359.474 1.799 20 70 FDIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000161330073 525082086 /nfs/dbraw/zinc/08/20/86/525082086.db2.gz ARYQKGZPTBMNKF-PBHICJAKSA-N 1 2 372.387 1.742 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000161357027 525089796 /nfs/dbraw/zinc/08/97/96/525089796.db2.gz FPYMOHFOUCVBGA-MRXNPFEDSA-N 1 2 373.478 1.813 20 70 FDIDLO CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000161497605 525118844 /nfs/dbraw/zinc/11/88/44/525118844.db2.gz PIVUHWFDTKDDMO-CQSZACIVSA-N 1 2 350.488 1.436 20 70 FDIDLO CCC(=O)N1CC[C@@H](C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000161497605 525118851 /nfs/dbraw/zinc/11/88/51/525118851.db2.gz PIVUHWFDTKDDMO-CQSZACIVSA-N 1 2 350.488 1.436 20 70 FDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)C2)CC1 ZINC000161044297 258263282 /nfs/dbraw/zinc/26/32/82/258263282.db2.gz PIUUZWBTKOKQRX-XDNAFOTISA-N 1 2 362.518 1.365 20 70 FDIDLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccnc(C3CC3)n2)CC1 ZINC000217211674 258395297 /nfs/dbraw/zinc/39/52/97/258395297.db2.gz PNKOJANQRQJCPJ-UHFFFAOYSA-N 1 2 354.458 1.662 20 70 FDIDLO Cc1nc(N2CCN(C(=O)Nc3ccnn3C[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000159481616 524680470 /nfs/dbraw/zinc/68/04/70/524680470.db2.gz GNNDQAJSOTZHQJ-OAHLLOKOSA-N 1 2 371.445 1.372 20 70 FDIDLO CNC(=O)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000159654733 524715333 /nfs/dbraw/zinc/71/53/33/524715333.db2.gz CKEKMLDDILTMNB-DZGCQCFKSA-N 1 2 356.829 1.660 20 70 FDIDLO CNC(=O)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000159654733 524715343 /nfs/dbraw/zinc/71/53/43/524715343.db2.gz CKEKMLDDILTMNB-DZGCQCFKSA-N 1 2 356.829 1.660 20 70 FDIDLO C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1)c1cccc(O)c1 ZINC000159773157 524736052 /nfs/dbraw/zinc/73/60/52/524736052.db2.gz DUNAOYPUBLZATG-HNNXBMFYSA-N 1 2 374.485 1.697 20 70 FDIDLO CC[C@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000159822191 524746556 /nfs/dbraw/zinc/74/65/56/524746556.db2.gz BUZONPXDHRJDCC-QGZVFWFLSA-N 1 2 361.486 1.443 20 70 FDIDLO Cc1cccn2c(CN3CCN(S(=O)(=O)c4cccnc4)CC3)c[nH+]c12 ZINC000159891276 524761529 /nfs/dbraw/zinc/76/15/29/524761529.db2.gz RMBZCJRQIMDPPG-UHFFFAOYSA-N 1 2 371.466 1.544 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCCOc1ccc(Cl)cc1 ZINC000159961930 524777866 /nfs/dbraw/zinc/77/78/66/524777866.db2.gz BFELQMFUEUPABY-UHFFFAOYSA-N 1 2 358.891 1.900 20 70 FDIDLO Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)s1 ZINC000159961870 524778089 /nfs/dbraw/zinc/77/80/89/524778089.db2.gz MGLBAAMRVBOJLK-UHFFFAOYSA-N 1 2 374.466 1.851 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160078384 524802753 /nfs/dbraw/zinc/80/27/53/524802753.db2.gz YAIZJKWEKRUYKV-OAHLLOKOSA-N 1 2 368.437 1.524 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000160077523 524802889 /nfs/dbraw/zinc/80/28/89/524802889.db2.gz YAFJCDCAAOFEHF-UHFFFAOYSA-N 1 2 374.485 1.109 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(C(=O)NC(C)C)cc2)CC1 ZINC000160077523 524802898 /nfs/dbraw/zinc/80/28/98/524802898.db2.gz YAFJCDCAAOFEHF-UHFFFAOYSA-N 1 2 374.485 1.109 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160600982 524924149 /nfs/dbraw/zinc/92/41/49/524924149.db2.gz UJOHBQDTGYCEGI-HNNXBMFYSA-N 1 2 361.486 1.799 20 70 FDIDLO COCc1nc2n(n1)C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000160598910 524925398 /nfs/dbraw/zinc/92/53/98/524925398.db2.gz KZMIINJUURMGEF-AWEZNQCLSA-N 1 2 373.461 1.326 20 70 FDIDLO CC(C)[C@@H](CCO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160638159 524936179 /nfs/dbraw/zinc/93/61/79/524936179.db2.gz KTSIXEWKNCKPGU-MAUKXSAKSA-N 1 2 351.466 1.859 20 70 FDIDLO CCn1cnnc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160698981 524951854 /nfs/dbraw/zinc/95/18/54/524951854.db2.gz XTVUWHOMOTXBCQ-GOEBONIOSA-N 1 2 364.400 1.821 20 70 FDIDLO CCn1cnnc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160698981 524951865 /nfs/dbraw/zinc/95/18/65/524951865.db2.gz XTVUWHOMOTXBCQ-GOEBONIOSA-N 1 2 364.400 1.821 20 70 FDIDLO O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160975115 525009116 /nfs/dbraw/zinc/00/91/16/525009116.db2.gz MDADMQQGJRWIAL-SQNIBIBYSA-N 1 2 356.470 1.866 20 70 FDIDLO CCC[N@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161081707 525029962 /nfs/dbraw/zinc/02/99/62/525029962.db2.gz FLBTVBDMLKIUQK-ZDUSSCGKSA-N 1 2 359.517 1.379 20 70 FDIDLO CCC[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCS(=O)(=O)C1 ZINC000161081707 525029970 /nfs/dbraw/zinc/02/99/70/525029970.db2.gz FLBTVBDMLKIUQK-ZDUSSCGKSA-N 1 2 359.517 1.379 20 70 FDIDLO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c(OC)c1 ZINC000161162874 525045312 /nfs/dbraw/zinc/04/53/12/525045312.db2.gz AANZWPLPLBESOJ-UHFFFAOYSA-N 1 2 370.453 1.855 20 70 FDIDLO CC(=O)Nc1cccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161164082 525046306 /nfs/dbraw/zinc/04/63/06/525046306.db2.gz DBHFYRVTCVVPND-UHFFFAOYSA-N 1 2 367.453 1.796 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC(=O)NC1CCCCC1 ZINC000161169055 525047351 /nfs/dbraw/zinc/04/73/51/525047351.db2.gz UQVZEVXAEOTIDT-UHFFFAOYSA-N 1 2 359.474 1.358 20 70 FDIDLO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161182047 525049389 /nfs/dbraw/zinc/04/93/89/525049389.db2.gz OJHCSXRDUAZNRM-HNNXBMFYSA-N 1 2 367.453 1.325 20 70 FDIDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161197642 525051839 /nfs/dbraw/zinc/05/18/39/525051839.db2.gz VTEQPFFQNCSUNJ-FUHWJXTLSA-N 1 2 373.501 1.604 20 70 FDIDLO COc1ccccc1CN(C)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161195935 525052080 /nfs/dbraw/zinc/05/20/80/525052080.db2.gz AGWQLGWWVXGRSF-UHFFFAOYSA-N 1 2 368.481 1.866 20 70 FDIDLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161262162 525068950 /nfs/dbraw/zinc/06/89/50/525068950.db2.gz KHQVNOGZHBAKKQ-GXTWGEPZSA-N 1 2 362.455 1.231 20 70 FDIDLO COc1ccc([C@@H](C)[N@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000161356382 525089732 /nfs/dbraw/zinc/08/97/32/525089732.db2.gz LXMFYWKTRYSCOI-LLVKDONJSA-N 1 2 357.414 1.162 20 70 FDIDLO COc1ccc([C@@H](C)[N@@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000161356382 525089741 /nfs/dbraw/zinc/08/97/41/525089741.db2.gz LXMFYWKTRYSCOI-LLVKDONJSA-N 1 2 357.414 1.162 20 70 FDIDLO CC[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(N)(=O)=O)c1 ZINC000161421866 525104917 /nfs/dbraw/zinc/10/49/17/525104917.db2.gz VZUXUURGYIATNB-HIFRSBDPSA-N 1 2 362.455 1.360 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cn1 ZINC000161450144 525111874 /nfs/dbraw/zinc/11/18/74/525111874.db2.gz UDVIEFWAVJQRIA-UHFFFAOYSA-N 1 2 353.357 1.970 20 70 FDIDLO COC(=O)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1cccc(C)c1 ZINC000161463171 525113731 /nfs/dbraw/zinc/11/37/31/525113731.db2.gz QKCQYQULNGHNCH-IAGOWNOFSA-N 1 2 355.438 1.902 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)cc1F ZINC000159452336 524671351 /nfs/dbraw/zinc/67/13/51/524671351.db2.gz AZWNYINVFJIEKP-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000159675048 524719892 /nfs/dbraw/zinc/71/98/92/524719892.db2.gz IFQNEVNFQJCQEU-UONOGXRCSA-N 1 2 372.252 1.265 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000159675048 524719900 /nfs/dbraw/zinc/71/99/00/524719900.db2.gz IFQNEVNFQJCQEU-UONOGXRCSA-N 1 2 372.252 1.265 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000159813532 524742335 /nfs/dbraw/zinc/74/23/35/524742335.db2.gz XYQNXJCHKKWFEQ-HOTGVXAUSA-N 1 2 363.462 1.248 20 70 FDIDLO COCC(C)(C)C(=O)N1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000159824641 524747140 /nfs/dbraw/zinc/74/71/40/524747140.db2.gz SNZFMTCNMLRXOT-UHFFFAOYSA-N 1 2 350.459 1.891 20 70 FDIDLO COC(=O)[C@@H](c1cccnc1)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000159837179 524748212 /nfs/dbraw/zinc/74/82/12/524748212.db2.gz LFEHJHMPQHBNKT-CRAIPNDOSA-N 1 2 374.485 1.361 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000159912058 524766419 /nfs/dbraw/zinc/76/64/19/524766419.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 2 374.242 1.977 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@H+](Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000159912058 524766430 /nfs/dbraw/zinc/76/64/30/524766430.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 2 374.242 1.977 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000159912058 524766439 /nfs/dbraw/zinc/76/64/39/524766439.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 2 374.242 1.977 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@H+](Cc1nc3ccc(Br)cc3[nH]1)CC2 ZINC000159912058 524766449 /nfs/dbraw/zinc/76/64/49/524766449.db2.gz KKCWIUQCEYDZSX-UHFFFAOYSA-N 1 2 374.242 1.977 20 70 FDIDLO Cc1cccc(C)c1OCCNC(=O)CSCC[NH+]1CCOCC1 ZINC000159948982 524774731 /nfs/dbraw/zinc/77/47/31/524774731.db2.gz DKHVHSYKBWAQEW-UHFFFAOYSA-N 1 2 352.500 1.864 20 70 FDIDLO O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159981575 524779362 /nfs/dbraw/zinc/77/93/62/524779362.db2.gz OCHBWKVBJVLAIB-SJORKVTESA-N 1 2 362.474 1.935 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000160024620 524791260 /nfs/dbraw/zinc/79/12/60/524791260.db2.gz VPKFUEGASDFPRB-QGZVFWFLSA-N 1 2 368.474 1.791 20 70 FDIDLO CSC[C@@](C)(O)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000160120382 524813488 /nfs/dbraw/zinc/81/34/88/524813488.db2.gz RXVJKAJOSIZJNE-CJNGLKHVSA-N 1 2 361.458 1.981 20 70 FDIDLO CSC[C@](C)(O)CNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000160120242 524815049 /nfs/dbraw/zinc/81/50/49/524815049.db2.gz RXVJKAJOSIZJNE-CZUORRHYSA-N 1 2 361.458 1.981 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1CC ZINC000160272286 524845665 /nfs/dbraw/zinc/84/56/65/524845665.db2.gz ZVXYDGQJIBAYAR-ZDUSSCGKSA-N 1 2 370.457 1.368 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cccc(Cl)c1F)C[NH+]1CCOCC1 ZINC000160390855 524876867 /nfs/dbraw/zinc/87/68/67/524876867.db2.gz SCLPAXCCZUXEPN-LLVKDONJSA-N 1 2 350.843 1.726 20 70 FDIDLO C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCCn1cc[nH+]c1 ZINC000160577803 524920780 /nfs/dbraw/zinc/92/07/80/524920780.db2.gz IQWVJGXWRGJVKR-AWEZNQCLSA-N 1 2 354.414 1.371 20 70 FDIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H](C)Cn1ncc2ccccc2c1=O ZINC000160585971 524923265 /nfs/dbraw/zinc/92/32/65/524923265.db2.gz LJPCRFJRGILWGY-ZIAGYGMSSA-N 1 2 354.414 1.369 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000160596578 524925109 /nfs/dbraw/zinc/92/51/09/524925109.db2.gz JZFLIBLIEYPUHZ-AAEUAGOBSA-N 1 2 353.385 1.052 20 70 FDIDLO O=C(Cc1ccccc1F)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160754121 524963973 /nfs/dbraw/zinc/96/39/73/524963973.db2.gz XKSRPDFDNYELGO-MRXNPFEDSA-N 1 2 370.428 1.498 20 70 FDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000160838205 524982482 /nfs/dbraw/zinc/98/24/82/524982482.db2.gz LUMQUTVRJWMKMA-OKILXGFUSA-N 1 2 362.474 1.592 20 70 FDIDLO CC(C)c1nc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc[nH+]1 ZINC000160891160 524991144 /nfs/dbraw/zinc/99/11/44/524991144.db2.gz QGILRBKPTXUELO-OAHLLOKOSA-N 1 2 355.442 1.615 20 70 FDIDLO COC(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161241232 525061809 /nfs/dbraw/zinc/06/18/09/525061809.db2.gz YQOLQGSDYYDQKS-UHFFFAOYSA-N 1 2 368.437 1.625 20 70 FDIDLO CN(C)S(=O)(=O)c1cc(C(=O)NCCc2cn3ccccc3[nH+]2)co1 ZINC000161436206 525108926 /nfs/dbraw/zinc/10/89/26/525108926.db2.gz YAGAXMXSBOBOPG-UHFFFAOYSA-N 1 2 362.411 1.150 20 70 FDIDLO CS(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161457048 525112579 /nfs/dbraw/zinc/11/25/79/525112579.db2.gz KDHJHPPCTSMCSI-ZDUSSCGKSA-N 1 2 363.439 1.044 20 70 FDIDLO COC[C@H](O)CNC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000159541004 524694003 /nfs/dbraw/zinc/69/40/03/524694003.db2.gz YYALTDCXOKYAHE-MRXNPFEDSA-N 1 2 369.421 1.959 20 70 FDIDLO Cc1cccc(OCCCNC(=O)CSCC[NH+]2CCOCC2)c1 ZINC000159857543 524754884 /nfs/dbraw/zinc/75/48/84/524754884.db2.gz ZGHFOESYXWLGLK-UHFFFAOYSA-N 1 2 352.500 1.946 20 70 FDIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C2CC2)CC1 ZINC000160061473 524798595 /nfs/dbraw/zinc/79/85/95/524798595.db2.gz DOKWFNNIKPYJEK-UHFFFAOYSA-N 1 2 350.484 1.942 20 70 FDIDLO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)[nH+]c1 ZINC000160076827 524803553 /nfs/dbraw/zinc/80/35/53/524803553.db2.gz VYCVVDQHHAIXBO-CABCVRRESA-N 1 2 350.463 1.608 20 70 FDIDLO C[C@@H](O)C[C@H]1CCCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160107602 524809431 /nfs/dbraw/zinc/80/94/31/524809431.db2.gz NGJNHMDJBODRMQ-HUUCEWRRSA-N 1 2 368.499 1.397 20 70 FDIDLO CCC(CC)(CO)CNC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160134516 524816990 /nfs/dbraw/zinc/81/69/90/524816990.db2.gz DVPCDEQXTUOZIP-UHFFFAOYSA-N 1 2 370.515 1.550 20 70 FDIDLO Cc1nnc(SCCC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)[nH]1 ZINC000160172241 524824784 /nfs/dbraw/zinc/82/47/84/524824784.db2.gz FJIFUPGYQURKQG-UHFFFAOYSA-N 1 2 355.508 1.412 20 70 FDIDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)c[nH+]2)C[C@@H](C)O1 ZINC000160223742 524834552 /nfs/dbraw/zinc/83/45/52/524834552.db2.gz HMSUSMKPLVQLIG-SPYBWZPUSA-N 1 2 362.474 1.752 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2sc(C)nc2C)C1 ZINC000160228878 524836169 /nfs/dbraw/zinc/83/61/69/524836169.db2.gz RZCCCCRBKWUDFR-CQSZACIVSA-N 1 2 353.488 1.993 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2sc(C)nc2C)C1 ZINC000160228878 524836181 /nfs/dbraw/zinc/83/61/81/524836181.db2.gz RZCCCCRBKWUDFR-CQSZACIVSA-N 1 2 353.488 1.993 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1F)C[NH+]1CCOCC1 ZINC000160383100 524874226 /nfs/dbraw/zinc/87/42/26/524874226.db2.gz RLPWSHKXCULZNA-NSHDSACASA-N 1 2 350.843 1.726 20 70 FDIDLO O=C(CCC(=O)NC1CCCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160390715 524875205 /nfs/dbraw/zinc/87/52/05/524875205.db2.gz NYQZLNQSTWRSGX-LJQANCHMSA-N 1 2 373.497 1.843 20 70 FDIDLO O=C(CCC(=O)NC1CCCC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160390715 524875210 /nfs/dbraw/zinc/87/52/10/524875210.db2.gz NYQZLNQSTWRSGX-LJQANCHMSA-N 1 2 373.497 1.843 20 70 FDIDLO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c(C)c1C ZINC000160398498 524878331 /nfs/dbraw/zinc/87/83/31/524878331.db2.gz JYFQLRKEECXKBE-CYBMUJFWSA-N 1 2 356.488 1.559 20 70 FDIDLO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1 ZINC000160603369 524926930 /nfs/dbraw/zinc/92/69/30/524926930.db2.gz SZWRXAKXCCEKFV-INIZCTEOSA-N 1 2 361.486 1.752 20 70 FDIDLO Cc1nc(Cl)ccc1C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000160627508 524933409 /nfs/dbraw/zinc/93/34/09/524933409.db2.gz DWKUHNUNNYFCSH-MRXNPFEDSA-N 1 2 355.891 1.981 20 70 FDIDLO Cc1c(NC(=O)N2CC[NH+](CCO)CC2)cnn1-c1cc(C)ccc1C ZINC000160882455 524987658 /nfs/dbraw/zinc/98/76/58/524987658.db2.gz BYULIFDXLZJMRM-UHFFFAOYSA-N 1 2 357.458 1.939 20 70 FDIDLO O=C(NCCOc1ncccc1C(F)(F)F)NCC[NH+]1CCOCC1 ZINC000160927626 524999080 /nfs/dbraw/zinc/99/90/80/524999080.db2.gz WTRPHGZUWXJXCQ-UHFFFAOYSA-N 1 2 362.352 1.111 20 70 FDIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)cn1 ZINC000160988018 525009666 /nfs/dbraw/zinc/00/96/66/525009666.db2.gz HGIUWQMEYIVIIW-UHFFFAOYSA-N 1 2 351.403 1.808 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057668 525024886 /nfs/dbraw/zinc/02/48/86/525024886.db2.gz DUGLGOQLENISMX-KGLIPLIRSA-N 1 2 371.359 1.801 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057668 525024899 /nfs/dbraw/zinc/02/48/99/525024899.db2.gz DUGLGOQLENISMX-KGLIPLIRSA-N 1 2 371.359 1.801 20 70 FDIDLO Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161218380 525058684 /nfs/dbraw/zinc/05/86/84/525058684.db2.gz YSPFNEKUZSFQCT-INIZCTEOSA-N 1 2 356.474 1.577 20 70 FDIDLO O=S(=O)(NCCNc1cc(N2CCCCC2)nc[nH+]1)c1cccnc1 ZINC000161222165 525058945 /nfs/dbraw/zinc/05/89/45/525058945.db2.gz XAYGALLLLJVYDA-UHFFFAOYSA-N 1 2 362.459 1.252 20 70 FDIDLO O=S(=O)(NCCNc1cc(N2CCCCC2)[nH+]cn1)c1cccnc1 ZINC000161222165 525058955 /nfs/dbraw/zinc/05/89/55/525058955.db2.gz XAYGALLLLJVYDA-UHFFFAOYSA-N 1 2 362.459 1.252 20 70 FDIDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161287650 525073130 /nfs/dbraw/zinc/07/31/30/525073130.db2.gz BRYUBNHETXQSAD-JQWIXIFHSA-N 1 2 353.385 1.492 20 70 FDIDLO Cn1c2nnc(CSCC[NH+]3CCOCC3)n2c2ccccc2c1=O ZINC000160015790 173695297 /nfs/dbraw/zinc/69/52/97/173695297.db2.gz KBDMPAYJEOYCDA-UHFFFAOYSA-N 1 2 359.455 1.147 20 70 FDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000160296649 173706147 /nfs/dbraw/zinc/70/61/47/173706147.db2.gz YFWYGWCSZLZQMH-DLBZAZTESA-N 1 2 373.501 1.698 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)c1CC ZINC000160413714 173710158 /nfs/dbraw/zinc/71/01/58/173710158.db2.gz SLQFQJZZVKLZGL-UHFFFAOYSA-N 1 2 358.446 1.638 20 70 FDIDLO O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159827080 524746760 /nfs/dbraw/zinc/74/67/60/524746760.db2.gz OZLDLELKXNLRDH-OAHLLOKOSA-N 1 2 371.407 1.545 20 70 FDIDLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159832974 524748823 /nfs/dbraw/zinc/74/88/23/524748823.db2.gz OLJJZJPWOKVOFR-NHYWBVRUSA-N 1 2 374.890 1.775 20 70 FDIDLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159832974 524748836 /nfs/dbraw/zinc/74/88/36/524748836.db2.gz OLJJZJPWOKVOFR-NHYWBVRUSA-N 1 2 374.890 1.775 20 70 FDIDLO C[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000159865628 524755448 /nfs/dbraw/zinc/75/54/48/524755448.db2.gz BLVSNFPVPUBXGF-GXTWGEPZSA-N 1 2 371.528 1.371 20 70 FDIDLO C[C@@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000159865628 524755459 /nfs/dbraw/zinc/75/54/59/524755459.db2.gz BLVSNFPVPUBXGF-GXTWGEPZSA-N 1 2 371.528 1.371 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000159977778 524779203 /nfs/dbraw/zinc/77/92/03/524779203.db2.gz YPOMIWTXXOQJKW-UHFFFAOYSA-N 1 2 374.510 1.596 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159979908 524779303 /nfs/dbraw/zinc/77/93/03/524779303.db2.gz MUPXPAJJJXXPGG-QWRGUYRKSA-N 1 2 360.380 1.370 20 70 FDIDLO C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000160077586 524803126 /nfs/dbraw/zinc/80/31/26/524803126.db2.gz VTNVKTFVCDBSSI-IRXDYDNUSA-N 1 2 361.490 1.018 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000160365746 524869140 /nfs/dbraw/zinc/86/91/40/524869140.db2.gz WTCVEEWOADHQLY-LBPRGKRZSA-N 1 2 366.405 1.952 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)C[NH+]1CCOCC1 ZINC000160377805 524872335 /nfs/dbraw/zinc/87/23/35/524872335.db2.gz VSNXBDVPWZTGPM-JTQLQIEISA-N 1 2 352.378 1.351 20 70 FDIDLO C[C@@H](CNS(=O)(=O)Cc1cccc2cccnc21)C[NH+]1CCOCC1 ZINC000160384189 524873393 /nfs/dbraw/zinc/87/33/93/524873393.db2.gz LPKLMSKFMNCUHP-HNNXBMFYSA-N 1 2 363.483 1.623 20 70 FDIDLO C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1=O ZINC000160381111 524873739 /nfs/dbraw/zinc/87/37/39/524873739.db2.gz DYMYTSFTSHLAFD-SZVBFZGTSA-N 1 2 371.481 1.576 20 70 FDIDLO C[C@H](c1ccccc1)N1C[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1=O ZINC000160381111 524873744 /nfs/dbraw/zinc/87/37/44/524873744.db2.gz DYMYTSFTSHLAFD-SZVBFZGTSA-N 1 2 371.481 1.576 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C[NH+]1CCOCC1 ZINC000160397977 524879353 /nfs/dbraw/zinc/87/93/53/524879353.db2.gz DARCPEIKQRBKBJ-ZIAGYGMSSA-N 1 2 354.472 1.257 20 70 FDIDLO Cc1ccc([C@@H](CNC(=O)c2cccc(=O)n2C)[NH+]2CCOCC2)cc1 ZINC000160520902 524908066 /nfs/dbraw/zinc/90/80/66/524908066.db2.gz WLAMSYYDHMGTJO-GOSISDBHSA-N 1 2 355.438 1.497 20 70 FDIDLO COCC[NH+]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)OC)cc23)CC1 ZINC000160523284 524908464 /nfs/dbraw/zinc/90/84/64/524908464.db2.gz XYQLWSYGRWDCLE-UHFFFAOYSA-N 1 2 359.426 1.401 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000160567900 524919080 /nfs/dbraw/zinc/91/90/80/524919080.db2.gz NWZHDBSVDDANNB-UHFFFAOYSA-N 1 2 368.434 1.588 20 70 FDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ncccc2c1 ZINC000160597362 524925030 /nfs/dbraw/zinc/92/50/30/524925030.db2.gz QXSWUXBDJIYFOL-MRXNPFEDSA-N 1 2 361.467 1.360 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc2ncccc2c1 ZINC000160597362 524925041 /nfs/dbraw/zinc/92/50/41/524925041.db2.gz QXSWUXBDJIYFOL-MRXNPFEDSA-N 1 2 361.467 1.360 20 70 FDIDLO CC[C@@H](O)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160868235 524985561 /nfs/dbraw/zinc/98/55/61/524985561.db2.gz SVLIXUKDMZTDMB-QGZVFWFLSA-N 1 2 362.474 1.550 20 70 FDIDLO Cc1noc([C@H]2COCCN2C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000161037408 525020558 /nfs/dbraw/zinc/02/05/58/525020558.db2.gz OOMQIHIHZBNQFQ-CRAIPNDOSA-N 1 2 371.441 1.779 20 70 FDIDLO C[C@H](NC(=O)NCCOc1ccc(Cl)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000161111557 525034841 /nfs/dbraw/zinc/03/48/41/525034841.db2.gz CLQZNQIDKNOLBA-STQMWFEESA-N 1 2 356.854 1.522 20 70 FDIDLO C[C@@H](NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H](C)[NH+]1CCOCC1 ZINC000161113314 525037570 /nfs/dbraw/zinc/03/75/70/525037570.db2.gz WTKIPCLIEWTDNY-OWCLPIDISA-N 1 2 372.473 1.737 20 70 FDIDLO COc1ccc(C(=O)NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161167276 525048796 /nfs/dbraw/zinc/04/87/96/525048796.db2.gz VNRVOSPHXQKNIT-UHFFFAOYSA-N 1 2 368.437 1.164 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCCOc1ccccc1 ZINC000161199088 525051713 /nfs/dbraw/zinc/05/17/13/525051713.db2.gz JXOCXRXGXOTBQG-UHFFFAOYSA-N 1 2 354.454 1.394 20 70 FDIDLO C[C@@H](O)C(=O)N1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000161217415 525058019 /nfs/dbraw/zinc/05/80/19/525058019.db2.gz GQPHTRJSVIVKRH-CYBMUJFWSA-N 1 2 357.414 1.144 20 70 FDIDLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161262302 525067667 /nfs/dbraw/zinc/06/76/67/525067667.db2.gz KHQVNOGZHBAKKQ-TZMCWYRMSA-N 1 2 362.455 1.231 20 70 FDIDLO CCNC(=O)C(C)(C)CNc1[nH+]cnc2c1c(Br)nn2C ZINC000161328197 525081688 /nfs/dbraw/zinc/08/16/88/525081688.db2.gz AHGDRRGOMAIMEQ-UHFFFAOYSA-N 1 2 355.240 1.700 20 70 FDIDLO CCc1ncc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)cn1 ZINC000159376273 524656786 /nfs/dbraw/zinc/65/67/86/524656786.db2.gz AUQRJUDTGZZVTM-UHFFFAOYSA-N 1 2 362.455 1.627 20 70 FDIDLO Cc1cc(S(N)(=O)=O)sc1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000159400759 524662030 /nfs/dbraw/zinc/66/20/30/524662030.db2.gz BNVHXEDJDBWUMZ-UHFFFAOYSA-N 1 2 364.452 1.324 20 70 FDIDLO C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159453615 524674303 /nfs/dbraw/zinc/67/43/03/524674303.db2.gz GBZKMKVWBUFTKA-ISXOHVOVSA-N 1 2 374.485 1.216 20 70 FDIDLO CC(C)[C@@H](O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159461028 524676077 /nfs/dbraw/zinc/67/60/77/524676077.db2.gz AXBPUDYBAWPBNZ-INIZCTEOSA-N 1 2 362.474 1.034 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000159467342 524677574 /nfs/dbraw/zinc/67/75/74/524677574.db2.gz QEIXAUZEJFARKZ-ZDUSSCGKSA-N 1 2 353.488 1.106 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000159467342 524677577 /nfs/dbraw/zinc/67/75/77/524677577.db2.gz QEIXAUZEJFARKZ-ZDUSSCGKSA-N 1 2 353.488 1.106 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159471334 524678538 /nfs/dbraw/zinc/67/85/38/524678538.db2.gz DQYLJGBHSAJCSV-LSDHHAIUSA-N 1 2 367.515 1.885 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159471334 524678547 /nfs/dbraw/zinc/67/85/47/524678547.db2.gz DQYLJGBHSAJCSV-LSDHHAIUSA-N 1 2 367.515 1.885 20 70 FDIDLO Cc1cc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)n(-c2ccc(C)cc2)n1 ZINC000159563763 524698260 /nfs/dbraw/zinc/69/82/60/524698260.db2.gz OPDYKECGJJBEFT-UHFFFAOYSA-N 1 2 360.458 1.350 20 70 FDIDLO Cc1cc(NC(=O)C[N@H+](C)CC(C)(CO)CO)n(-c2ccc(C)cc2)n1 ZINC000159563763 524698261 /nfs/dbraw/zinc/69/82/61/524698261.db2.gz OPDYKECGJJBEFT-UHFFFAOYSA-N 1 2 360.458 1.350 20 70 FDIDLO O=C(NCc1ccc[nH+]c1N1CCOCC1)N1CCOC2(CCCC2)C1 ZINC000159578758 524701428 /nfs/dbraw/zinc/70/14/28/524701428.db2.gz PFJGUQPWZHUTAX-UHFFFAOYSA-N 1 2 360.458 1.773 20 70 FDIDLO O=C(CCC(=O)NC1CCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000159728939 524728958 /nfs/dbraw/zinc/72/89/58/524728958.db2.gz RPAGGDWICDSTBN-UHFFFAOYSA-N 1 2 373.497 1.974 20 70 FDIDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000159973443 524779998 /nfs/dbraw/zinc/77/99/98/524779998.db2.gz UVLVNADVNUNAPZ-DOTOQJQBSA-N 1 2 365.437 1.883 20 70 FDIDLO CSC[C@@](C)(O)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000160120120 524814220 /nfs/dbraw/zinc/81/42/20/524814220.db2.gz RXVJKAJOSIZJNE-BBRMVZONSA-N 1 2 361.458 1.981 20 70 FDIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000160556794 524913991 /nfs/dbraw/zinc/91/39/91/524913991.db2.gz ODXUDMBEBIBSTG-LLVKDONJSA-N 1 2 350.444 1.585 20 70 FDIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000160556794 524914001 /nfs/dbraw/zinc/91/40/01/524914001.db2.gz ODXUDMBEBIBSTG-LLVKDONJSA-N 1 2 350.444 1.585 20 70 FDIDLO CC(C)(C)N1C[C@@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1=O ZINC000160605232 524927956 /nfs/dbraw/zinc/92/79/56/524927956.db2.gz SQSMXKCSANEARK-INIZCTEOSA-N 1 2 359.474 1.308 20 70 FDIDLO C[S@](=O)c1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160613900 524928711 /nfs/dbraw/zinc/92/87/11/524928711.db2.gz HHCCKHSQNODYSV-AREMUKBSSA-N 1 2 372.494 1.846 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)NCc3ccccc3)CC2)n1 ZINC000160635466 524932680 /nfs/dbraw/zinc/93/26/80/524932680.db2.gz XSAZERJZHLTTJP-UHFFFAOYSA-N 1 2 369.469 1.179 20 70 FDIDLO Cc1c(/C=C/C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cnn1C ZINC000160870761 524987464 /nfs/dbraw/zinc/98/74/64/524987464.db2.gz IPAMCRXXFRZZAA-REMYHPOOSA-N 1 2 350.488 1.066 20 70 FDIDLO COCCC1(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000161050404 525022780 /nfs/dbraw/zinc/02/27/80/525022780.db2.gz OFHNWZLCBYYXHE-UHFFFAOYSA-N 1 2 362.470 1.831 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068393 525026459 /nfs/dbraw/zinc/02/64/59/525026459.db2.gz RFWRESCINMUUDE-CHWSQXEVSA-N 1 2 357.332 1.365 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068393 525026466 /nfs/dbraw/zinc/02/64/66/525026466.db2.gz RFWRESCINMUUDE-CHWSQXEVSA-N 1 2 357.332 1.365 20 70 FDIDLO C[C@H](NC(=O)NCCOc1ncccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000161115098 525036390 /nfs/dbraw/zinc/03/63/90/525036390.db2.gz TWWIWRXQESSBJR-STQMWFEESA-N 1 2 356.854 1.522 20 70 FDIDLO O=C(CNC(=O)NCCNc1ccc2ccccc2[nH+]1)N1CCCCC1 ZINC000161158644 525045614 /nfs/dbraw/zinc/04/56/14/525045614.db2.gz JGNDFZOVAIMQBN-UHFFFAOYSA-N 1 2 355.442 1.958 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000161194418 525052745 /nfs/dbraw/zinc/05/27/45/525052745.db2.gz ZGMRAVCXTMMJPY-LJQANCHMSA-N 1 2 366.465 1.839 20 70 FDIDLO CN(C[C@H]1CCC[C@@H]1O)C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161336781 525084697 /nfs/dbraw/zinc/08/46/97/525084697.db2.gz TUBDZKRFEZEITI-ZBFHGGJFSA-N 1 2 368.499 1.255 20 70 FDIDLO O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160952220 173725765 /nfs/dbraw/zinc/72/57/65/173725765.db2.gz SEPSVEJPGXSFPX-SQNIBIBYSA-N 1 2 356.470 1.866 20 70 FDIDLO O=c1n2ccccc2nn1CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159503711 524687976 /nfs/dbraw/zinc/68/79/76/524687976.db2.gz DEHZKBGCWGPKJS-FQEVSTJZSA-N 1 2 350.422 1.670 20 70 FDIDLO O=c1n2ccccc2nn1CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159503711 524687985 /nfs/dbraw/zinc/68/79/85/524687985.db2.gz DEHZKBGCWGPKJS-FQEVSTJZSA-N 1 2 350.422 1.670 20 70 FDIDLO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159607920 524708061 /nfs/dbraw/zinc/70/80/61/524708061.db2.gz NPDWTURAHHUAFV-BQFCYCMXSA-N 1 2 365.401 1.983 20 70 FDIDLO O[C@H](COc1ccc(F)cc1)C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159607920 524708072 /nfs/dbraw/zinc/70/80/72/524708072.db2.gz NPDWTURAHHUAFV-BQFCYCMXSA-N 1 2 365.401 1.983 20 70 FDIDLO COC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C1CC1 ZINC000159619952 524710143 /nfs/dbraw/zinc/71/01/43/524710143.db2.gz CCKCJYZEZCJNRL-OAHLLOKOSA-N 1 2 354.472 1.177 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@@H]21 ZINC000159657470 524715533 /nfs/dbraw/zinc/71/55/33/524715533.db2.gz BPYLXGPHWNAYEN-BPQIPLTHSA-N 1 2 372.469 1.472 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@@H]21 ZINC000159657470 524715540 /nfs/dbraw/zinc/71/55/40/524715540.db2.gz BPYLXGPHWNAYEN-BPQIPLTHSA-N 1 2 372.469 1.472 20 70 FDIDLO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)co1 ZINC000159691582 524721424 /nfs/dbraw/zinc/72/14/24/524721424.db2.gz OLSHHVIVLULJIB-LBPRGKRZSA-N 1 2 366.443 1.016 20 70 FDIDLO CS(=O)(=O)c1ccc(-n2nnnc2C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159704014 524723146 /nfs/dbraw/zinc/72/31/46/524723146.db2.gz CPRDNFSATQJPMW-BBRMVZONSA-N 1 2 361.471 1.830 20 70 FDIDLO CS(=O)(=O)c1ccc(-n2nnnc2C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159704014 524723156 /nfs/dbraw/zinc/72/31/56/524723156.db2.gz CPRDNFSATQJPMW-BBRMVZONSA-N 1 2 361.471 1.830 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000159743174 524731206 /nfs/dbraw/zinc/73/12/06/524731206.db2.gz QYBQLFAEJSJOME-SJORKVTESA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000159743174 524731217 /nfs/dbraw/zinc/73/12/17/524731217.db2.gz QYBQLFAEJSJOME-SJORKVTESA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1nn(C)c(C)c1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159949589 524776277 /nfs/dbraw/zinc/77/62/77/524776277.db2.gz FYNUXFCQWNSHRD-UHFFFAOYSA-N 1 2 350.463 1.036 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)C[NH+]1CCOCC1 ZINC000160378633 524870442 /nfs/dbraw/zinc/87/04/42/524870442.db2.gz SFMZZHYJHXZQBK-JTQLQIEISA-N 1 2 352.378 1.351 20 70 FDIDLO O=C(CCC(=O)NC1CCCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160390860 524876348 /nfs/dbraw/zinc/87/63/48/524876348.db2.gz NYQZLNQSTWRSGX-IBGZPJMESA-N 1 2 373.497 1.843 20 70 FDIDLO O=C(CCC(=O)NC1CCCC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160390860 524876358 /nfs/dbraw/zinc/87/63/58/524876358.db2.gz NYQZLNQSTWRSGX-IBGZPJMESA-N 1 2 373.497 1.843 20 70 FDIDLO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160421642 524885345 /nfs/dbraw/zinc/88/53/45/524885345.db2.gz IVJQHAYIIKPDHJ-DPAQFELZSA-N 1 2 352.438 1.865 20 70 FDIDLO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160421642 524885357 /nfs/dbraw/zinc/88/53/57/524885357.db2.gz IVJQHAYIIKPDHJ-DPAQFELZSA-N 1 2 352.438 1.865 20 70 FDIDLO CCCOc1cccc(C[N@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000160604038 524927560 /nfs/dbraw/zinc/92/75/60/524927560.db2.gz FUAXHQQCKNXZDP-INIZCTEOSA-N 1 2 368.499 1.601 20 70 FDIDLO CCCOc1cccc(C[N@@H+](CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000160604038 524927574 /nfs/dbraw/zinc/92/75/74/524927574.db2.gz FUAXHQQCKNXZDP-INIZCTEOSA-N 1 2 368.499 1.601 20 70 FDIDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160621430 524931813 /nfs/dbraw/zinc/93/18/13/524931813.db2.gz DAVLOIPTJSPXBA-CQSZACIVSA-N 1 2 357.462 1.240 20 70 FDIDLO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707482 524953696 /nfs/dbraw/zinc/95/36/96/524953696.db2.gz FPHRYCQDKKEZNN-VCTAVGKDSA-N 1 2 364.400 1.899 20 70 FDIDLO C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707482 524953707 /nfs/dbraw/zinc/95/37/07/524953707.db2.gz FPHRYCQDKKEZNN-VCTAVGKDSA-N 1 2 364.400 1.899 20 70 FDIDLO CC(C)OCCS(=O)(=O)N1CCN(Cc2c[nH+]c3ccccn23)CC1 ZINC000160934807 524998212 /nfs/dbraw/zinc/99/82/12/524998212.db2.gz FXGMBPPRFNETLI-UHFFFAOYSA-N 1 2 366.487 1.207 20 70 FDIDLO C[C@H]1C[N@@H+](C2CCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)CCO1 ZINC000160923846 524998423 /nfs/dbraw/zinc/99/84/23/524998423.db2.gz BWFPSSHIFVYUTH-LBPRGKRZSA-N 1 2 372.512 1.477 20 70 FDIDLO C[C@H]1C[N@H+](C2CCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)CCO1 ZINC000160923846 524998432 /nfs/dbraw/zinc/99/84/32/524998432.db2.gz BWFPSSHIFVYUTH-LBPRGKRZSA-N 1 2 372.512 1.477 20 70 FDIDLO CC[C@@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000160957170 525005174 /nfs/dbraw/zinc/00/51/74/525005174.db2.gz BMILBJLIXKBPPY-IJEWVQPXSA-N 1 2 350.463 1.655 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000161087117 525031023 /nfs/dbraw/zinc/03/10/23/525031023.db2.gz ISVYOYAIFOAMPI-CYBMUJFWSA-N 1 2 359.430 1.699 20 70 FDIDLO CCOC(=O)[C@H]1CCCCN1C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161205043 525054159 /nfs/dbraw/zinc/05/41/59/525054159.db2.gz QUXGAECEXYKMAF-GOSISDBHSA-N 1 2 374.485 1.143 20 70 FDIDLO CCC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000161419132 525105681 /nfs/dbraw/zinc/10/56/81/525105681.db2.gz LMIVJSPGACUIOB-HNNXBMFYSA-N 1 2 369.425 1.153 20 70 FDIDLO C[C@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000159369473 173673989 /nfs/dbraw/zinc/67/39/89/173673989.db2.gz CCXXKUPVLOZRLM-DZGCQCFKSA-N 1 2 359.451 1.962 20 70 FDIDLO Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159368556 524653823 /nfs/dbraw/zinc/65/38/23/524653823.db2.gz GWIWGOYZYLTORW-NSHDSACASA-N 1 2 355.851 1.334 20 70 FDIDLO Cn1cc[nH+]c1-c1cccc(NC(=O)NCCNC(=O)c2ccn[nH]2)c1 ZINC000159569212 524699096 /nfs/dbraw/zinc/69/90/96/524699096.db2.gz WEUCZEIWQJHQRZ-UHFFFAOYSA-N 1 2 353.386 1.362 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159841145 524750323 /nfs/dbraw/zinc/75/03/23/524750323.db2.gz UKDWHWLKYKGZKF-QGZVFWFLSA-N 1 2 370.457 1.664 20 70 FDIDLO O=C(Cc1ccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1)N1CCOCC1 ZINC000159901041 524764158 /nfs/dbraw/zinc/76/41/58/524764158.db2.gz XRPWWLQXDAPFJN-MRXNPFEDSA-N 1 2 368.437 1.486 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCc1ccc(OC(F)F)cc1 ZINC000160052957 524796841 /nfs/dbraw/zinc/79/68/41/524796841.db2.gz YICYCHQYKZPDTG-UHFFFAOYSA-N 1 2 360.426 1.970 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160169166 524821975 /nfs/dbraw/zinc/82/19/75/524821975.db2.gz LOIIWHVAAROFIG-MRXNPFEDSA-N 1 2 352.500 1.981 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160169166 524821980 /nfs/dbraw/zinc/82/19/80/524821980.db2.gz LOIIWHVAAROFIG-MRXNPFEDSA-N 1 2 352.500 1.981 20 70 FDIDLO CCc1c(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)[nH]c(C)c1C(N)=O ZINC000160349085 524865379 /nfs/dbraw/zinc/86/53/79/524865379.db2.gz LWASQYDRYZZFSQ-UHFFFAOYSA-N 1 2 355.442 1.910 20 70 FDIDLO CC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000160357196 524866463 /nfs/dbraw/zinc/86/64/63/524866463.db2.gz XNEBTHOKVJIJHQ-MRXNPFEDSA-N 1 2 362.499 1.856 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C[NH+]1CCOCC1 ZINC000160370245 524871185 /nfs/dbraw/zinc/87/11/85/524871185.db2.gz UKYNTCXYHPZUIZ-CYBMUJFWSA-N 1 2 366.439 1.040 20 70 FDIDLO Cc1c(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cccc1C(=O)N1CCOCC1 ZINC000160377225 524871642 /nfs/dbraw/zinc/87/16/42/524871642.db2.gz NCNZUUATXGITGA-HNNXBMFYSA-N 1 2 368.437 1.865 20 70 FDIDLO NC(=O)c1ccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000160410870 524882477 /nfs/dbraw/zinc/88/24/77/524882477.db2.gz JYMPJUUZPMJJOK-INIZCTEOSA-N 1 2 353.426 1.649 20 70 FDIDLO CS(=O)(=O)c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160441589 524889048 /nfs/dbraw/zinc/88/90/48/524889048.db2.gz IZOVUVUNCAFJIY-AWEZNQCLSA-N 1 2 360.439 1.886 20 70 FDIDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC2 ZINC000160788225 524969764 /nfs/dbraw/zinc/96/97/64/524969764.db2.gz WKEBIQRLDPBNRN-CHWSQXEVSA-N 1 2 359.434 1.399 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](CC(N)=O)C3CCCC3)c2c1 ZINC000160907357 524993756 /nfs/dbraw/zinc/99/37/56/524993756.db2.gz FKWNXRMTFROTMW-UHFFFAOYSA-N 1 2 357.410 1.867 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](CC(N)=O)C3CCCC3)c2c1 ZINC000160907357 524993765 /nfs/dbraw/zinc/99/37/65/524993765.db2.gz FKWNXRMTFROTMW-UHFFFAOYSA-N 1 2 357.410 1.867 20 70 FDIDLO CC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)C1 ZINC000161036857 525021278 /nfs/dbraw/zinc/02/12/78/525021278.db2.gz GCCGBZZBRNITOM-HNNXBMFYSA-N 1 2 360.458 1.814 20 70 FDIDLO COc1ccc(S(C)(=O)=O)cc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000161052951 525024731 /nfs/dbraw/zinc/02/47/31/525024731.db2.gz JEPIKMIZOUSPLJ-AWEZNQCLSA-N 1 2 366.439 1.724 20 70 FDIDLO Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000161126974 525040011 /nfs/dbraw/zinc/04/00/11/525040011.db2.gz KYYGOCABCGVNPR-GOSISDBHSA-N 1 2 366.465 1.667 20 70 FDIDLO CN(Cc1ccccc1F)C(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161207842 525055181 /nfs/dbraw/zinc/05/51/81/525055181.db2.gz VVMBNKZAPUARPX-UHFFFAOYSA-N 1 2 356.445 1.997 20 70 FDIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NC(=O)NCc1ccco1 ZINC000161312230 525078185 /nfs/dbraw/zinc/07/81/85/525078185.db2.gz DXEXXUZPRJATRA-CYBMUJFWSA-N 1 2 363.336 1.241 20 70 FDIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000161330414 525083459 /nfs/dbraw/zinc/08/34/59/525083459.db2.gz ARYQKGZPTBMNKF-WMLDXEAASA-N 1 2 372.387 1.742 20 70 FDIDLO CNC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161338532 525085624 /nfs/dbraw/zinc/08/56/24/525085624.db2.gz UTCNGMBDBVYUNU-PYUISTEWSA-N 1 2 350.422 1.850 20 70 FDIDLO C[C@H](C(=O)N1CCOC[C@@H]1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161349037 525087193 /nfs/dbraw/zinc/08/71/93/525087193.db2.gz DYSLRYYFNGHRLF-DNVCBOLYSA-N 1 2 361.461 1.974 20 70 FDIDLO CNC(=O)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)OC)cc32)CC1 ZINC000161360222 525089359 /nfs/dbraw/zinc/08/93/59/525089359.db2.gz JZIUQLSULWKCGB-UHFFFAOYSA-N 1 2 371.437 1.985 20 70 FDIDLO COC(=O)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(O)cc1 ZINC000161394559 525099750 /nfs/dbraw/zinc/09/97/50/525099750.db2.gz HCFZXAOBOCRYFM-LSDHHAIUSA-N 1 2 357.410 1.299 20 70 FDIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000159480087 524680446 /nfs/dbraw/zinc/68/04/46/524680446.db2.gz XXQHXEFGHKEGJM-ZFWWWQNUSA-N 1 2 370.519 1.165 20 70 FDIDLO CCSCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000159535459 524692371 /nfs/dbraw/zinc/69/23/71/524692371.db2.gz LKPHOKFNNMZYES-UHFFFAOYSA-N 1 2 354.501 1.622 20 70 FDIDLO CNC(=O)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000159654582 524714935 /nfs/dbraw/zinc/71/49/35/524714935.db2.gz CKEKMLDDILTMNB-UKRRQHHQSA-N 1 2 356.829 1.660 20 70 FDIDLO CNC(=O)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000159654582 524714945 /nfs/dbraw/zinc/71/49/45/524714945.db2.gz CKEKMLDDILTMNB-UKRRQHHQSA-N 1 2 356.829 1.660 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3cccc4ccccc43)C[C@@H]21 ZINC000159706930 524726029 /nfs/dbraw/zinc/72/60/29/524726029.db2.gz IICAFQJIUJHLJA-OALUTQOASA-N 1 2 367.449 1.040 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)Cc3cccc4ccccc43)C[C@@H]21 ZINC000159706930 524726036 /nfs/dbraw/zinc/72/60/36/524726036.db2.gz IICAFQJIUJHLJA-OALUTQOASA-N 1 2 367.449 1.040 20 70 FDIDLO C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCC2 ZINC000159781282 524736871 /nfs/dbraw/zinc/73/68/71/524736871.db2.gz FXBTUPRVDXLBGB-ZDUSSCGKSA-N 1 2 357.462 1.750 20 70 FDIDLO COc1ccccc1C[NH+]1CCN(C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000159788963 524738601 /nfs/dbraw/zinc/73/86/01/524738601.db2.gz SGHGFSRUBSUPJM-UHFFFAOYSA-N 1 2 365.437 1.935 20 70 FDIDLO COc1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000159850832 524754197 /nfs/dbraw/zinc/75/41/97/524754197.db2.gz NDNFREBDEXXPGS-MRXNPFEDSA-N 1 2 356.426 1.159 20 70 FDIDLO CCn1cc(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000159911863 524765593 /nfs/dbraw/zinc/76/55/93/524765593.db2.gz CYSVDCRCJPQUNC-OAHLLOKOSA-N 1 2 370.453 1.623 20 70 FDIDLO CCn1cc(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000159911863 524765602 /nfs/dbraw/zinc/76/56/02/524765602.db2.gz CYSVDCRCJPQUNC-OAHLLOKOSA-N 1 2 370.453 1.623 20 70 FDIDLO CC[N@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccnn1C ZINC000160223745 524834945 /nfs/dbraw/zinc/83/49/45/524834945.db2.gz YDIYZHXHBNKNFR-UHFFFAOYSA-N 1 2 357.458 1.717 20 70 FDIDLO CC[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccnn1C ZINC000160223745 524834952 /nfs/dbraw/zinc/83/49/52/524834952.db2.gz YDIYZHXHBNKNFR-UHFFFAOYSA-N 1 2 357.458 1.717 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(CC)CC)no2)CC1 ZINC000160273592 524844758 /nfs/dbraw/zinc/84/47/58/524844758.db2.gz SQNKDVPSJHEWCN-UHFFFAOYSA-N 1 2 350.463 1.862 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(C(CC)CC)no2)CC1 ZINC000160273592 524844767 /nfs/dbraw/zinc/84/47/67/524844767.db2.gz SQNKDVPSJHEWCN-UHFFFAOYSA-N 1 2 350.463 1.862 20 70 FDIDLO CC[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 ZINC000160316014 524856152 /nfs/dbraw/zinc/85/61/52/524856152.db2.gz XGBVRYHKJHDLAX-UHFFFAOYSA-N 1 2 359.405 1.422 20 70 FDIDLO C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000160345857 524861740 /nfs/dbraw/zinc/86/17/40/524861740.db2.gz BBJUOJMTLILKMJ-HOTGVXAUSA-N 1 2 360.458 1.052 20 70 FDIDLO COCCCS(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160351908 524864674 /nfs/dbraw/zinc/86/46/74/524864674.db2.gz BRMIFXMJFACNKT-UHFFFAOYSA-N 1 2 355.504 1.107 20 70 FDIDLO CC[C@H](C)[C@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160433071 524886493 /nfs/dbraw/zinc/88/64/93/524886493.db2.gz ROEJYTQANLYCAG-JKSUJKDBSA-N 1 2 362.474 1.034 20 70 FDIDLO CC(C)C(=O)N(C)Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1 ZINC000160603495 524927277 /nfs/dbraw/zinc/92/72/77/524927277.db2.gz SZWRXAKXCCEKFV-MRXNPFEDSA-N 1 2 361.486 1.752 20 70 FDIDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC2 ZINC000160788606 524971046 /nfs/dbraw/zinc/97/10/46/524971046.db2.gz WKEBIQRLDPBNRN-STQMWFEESA-N 1 2 359.434 1.399 20 70 FDIDLO COc1ccc(S(=O)(=O)N2CC(Nc3cc[nH+]c(C4CC4)n3)C2)cc1 ZINC000160935775 525000162 /nfs/dbraw/zinc/00/01/62/525000162.db2.gz YDVFWMVKGDJGBC-UHFFFAOYSA-N 1 2 360.439 1.848 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057542 525023984 /nfs/dbraw/zinc/02/39/84/525023984.db2.gz DUGLGOQLENISMX-UONOGXRCSA-N 1 2 371.359 1.801 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057542 525023994 /nfs/dbraw/zinc/02/39/94/525023994.db2.gz DUGLGOQLENISMX-UONOGXRCSA-N 1 2 371.359 1.801 20 70 FDIDLO O=C(CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Nc1ccc(-n2cccn2)cc1 ZINC000161134106 525038759 /nfs/dbraw/zinc/03/87/59/525038759.db2.gz YNTSTQBSZGNOCE-CQSZACIVSA-N 1 2 364.409 1.386 20 70 FDIDLO CN(C)S(=O)(=O)c1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161184029 525050463 /nfs/dbraw/zinc/05/04/63/525050463.db2.gz FDOGICWIRBCACY-UHFFFAOYSA-N 1 2 374.510 1.650 20 70 FDIDLO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161218266 525058864 /nfs/dbraw/zinc/05/88/64/525058864.db2.gz YSPFNEKUZSFQCT-MRXNPFEDSA-N 1 2 356.474 1.577 20 70 FDIDLO COC(=O)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccc(O)cc1 ZINC000161394434 525098800 /nfs/dbraw/zinc/09/88/00/525098800.db2.gz HCFZXAOBOCRYFM-GJZGRUSLSA-N 1 2 357.410 1.299 20 70 FDIDLO CS(=O)(=O)c1ccc(OCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000161456979 525111931 /nfs/dbraw/zinc/11/19/31/525111931.db2.gz KDHJHPPCTSMCSI-CYBMUJFWSA-N 1 2 363.439 1.044 20 70 FDIDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783430 173688625 /nfs/dbraw/zinc/68/86/25/173688625.db2.gz CFVKYKGSVJIEML-WMLDXEAASA-N 1 2 367.515 1.218 20 70 FDIDLO C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783430 173688627 /nfs/dbraw/zinc/68/86/27/173688627.db2.gz CFVKYKGSVJIEML-WMLDXEAASA-N 1 2 367.515 1.218 20 70 FDIDLO C[N@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)CC(C)(CO)CO ZINC000159517693 524689480 /nfs/dbraw/zinc/68/94/80/524689480.db2.gz VTOPKWOAXWVMNS-UHFFFAOYSA-N 1 2 372.469 1.611 20 70 FDIDLO C[N@@H+](CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)CC(C)(CO)CO ZINC000159517693 524689489 /nfs/dbraw/zinc/68/94/89/524689489.db2.gz VTOPKWOAXWVMNS-UHFFFAOYSA-N 1 2 372.469 1.611 20 70 FDIDLO C[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159558354 524698242 /nfs/dbraw/zinc/69/82/42/524698242.db2.gz SMEDAQJWVRDCPA-FZMZJTMJSA-N 1 2 353.373 1.857 20 70 FDIDLO C[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159558354 524698244 /nfs/dbraw/zinc/69/82/44/524698244.db2.gz SMEDAQJWVRDCPA-FZMZJTMJSA-N 1 2 353.373 1.857 20 70 FDIDLO O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159596065 524703917 /nfs/dbraw/zinc/70/39/17/524703917.db2.gz ZUKTUONXHLTBFR-HNNXBMFYSA-N 1 2 354.410 1.136 20 70 FDIDLO Cn1cc(N2CCC[C@@H]([NH+]3CCN(c4ccc(Cl)cn4)CC3)C2=O)cn1 ZINC000159696272 524723549 /nfs/dbraw/zinc/72/35/49/524723549.db2.gz GZEYBVREPZXIBQ-MRXNPFEDSA-N 1 2 374.876 1.786 20 70 FDIDLO CNS(=O)(=O)c1ccc(N(C)Cc2[nH+]ccn2Cc2ccccc2)nc1 ZINC000159730638 524729627 /nfs/dbraw/zinc/72/96/27/524729627.db2.gz XDQWHHIPCDQZNM-UHFFFAOYSA-N 1 2 371.466 1.871 20 70 FDIDLO O=C(NCc1nccn1C(F)F)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159955273 524775447 /nfs/dbraw/zinc/77/54/47/524775447.db2.gz BRPSJBGVVNJUGS-UHFFFAOYSA-N 1 2 350.373 1.701 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000160031553 524792076 /nfs/dbraw/zinc/79/20/76/524792076.db2.gz BMOMTDIMVGLOPC-NRFANRHFSA-N 1 2 357.498 1.903 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000160031553 524792086 /nfs/dbraw/zinc/79/20/86/524792086.db2.gz BMOMTDIMVGLOPC-NRFANRHFSA-N 1 2 357.498 1.903 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160094158 524807555 /nfs/dbraw/zinc/80/75/55/524807555.db2.gz CKSTYKCRMLKNII-UHFFFAOYSA-N 1 2 357.414 1.664 20 70 FDIDLO CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160137527 524816969 /nfs/dbraw/zinc/81/69/69/524816969.db2.gz AHOOSSHYMGLNDW-LLVKDONJSA-N 1 2 351.453 1.555 20 70 FDIDLO Cc1conc1NC(=O)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000160354348 524867833 /nfs/dbraw/zinc/86/78/33/524867833.db2.gz QUFIYXZOIYLJRU-UHFFFAOYSA-N 1 2 372.429 1.492 20 70 FDIDLO CC[N@H+](CCCNC(=O)c1coc(S(=O)(=O)NC)c1)c1ccccc1 ZINC000160405996 524879794 /nfs/dbraw/zinc/87/97/94/524879794.db2.gz REDBJFCBJUFTAG-UHFFFAOYSA-N 1 2 365.455 1.834 20 70 FDIDLO CC[N@@H+](CCCNC(=O)c1coc(S(=O)(=O)NC)c1)c1ccccc1 ZINC000160405996 524879802 /nfs/dbraw/zinc/87/98/02/524879802.db2.gz REDBJFCBJUFTAG-UHFFFAOYSA-N 1 2 365.455 1.834 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000160596842 524925494 /nfs/dbraw/zinc/92/54/94/524925494.db2.gz JZFLIBLIEYPUHZ-DGCLKSJQSA-N 1 2 353.385 1.052 20 70 FDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000160636448 524935581 /nfs/dbraw/zinc/93/55/81/524935581.db2.gz NCXULTFRZIZXCB-INIZCTEOSA-N 1 2 350.390 1.174 20 70 FDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000160636448 524935590 /nfs/dbraw/zinc/93/55/90/524935590.db2.gz NCXULTFRZIZXCB-INIZCTEOSA-N 1 2 350.390 1.174 20 70 FDIDLO C[C@H](C[C@H]1CCCO1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160667063 524943438 /nfs/dbraw/zinc/94/34/38/524943438.db2.gz GSTAAAZOOQETJJ-IAGOWNOFSA-N 1 2 374.485 1.584 20 70 FDIDLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000160810153 524975064 /nfs/dbraw/zinc/97/50/64/524975064.db2.gz XKRHUSCPHLVMFG-UHFFFAOYSA-N 1 2 367.453 1.734 20 70 FDIDLO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)ccc2O1 ZINC000160822530 524976078 /nfs/dbraw/zinc/97/60/78/524976078.db2.gz SGHLJRARZHYDTR-CYBMUJFWSA-N 1 2 354.472 1.087 20 70 FDIDLO CC(=O)N1CSC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160874062 524988834 /nfs/dbraw/zinc/98/88/34/524988834.db2.gz MDMFWAOWLGKMMQ-ZDUSSCGKSA-N 1 2 354.501 1.989 20 70 FDIDLO CN(C[C@H]1CCCO1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160874315 524989029 /nfs/dbraw/zinc/98/90/29/524989029.db2.gz FQXCZTSABFDNIG-MRXNPFEDSA-N 1 2 360.458 1.148 20 70 FDIDLO COc1cccc(-c2cc(C(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)n[nH]2)c1 ZINC000160951805 525002452 /nfs/dbraw/zinc/00/24/52/525002452.db2.gz IZMPUAZZZRDMPE-OAHLLOKOSA-N 1 2 370.453 1.880 20 70 FDIDLO COc1ccc(CN(C)C(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161187455 525049275 /nfs/dbraw/zinc/04/92/75/525049275.db2.gz NLUIIJKJYJZLIW-UHFFFAOYSA-N 1 2 368.481 1.866 20 70 FDIDLO COc1ccc(CN(C)C(=O)C[NH+]2CCN(Cc3ccncc3)CC2)cc1 ZINC000161187455 525049284 /nfs/dbraw/zinc/04/92/84/525049284.db2.gz NLUIIJKJYJZLIW-UHFFFAOYSA-N 1 2 368.481 1.866 20 70 FDIDLO Cc1ccccc1CCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161215865 525056660 /nfs/dbraw/zinc/05/66/60/525056660.db2.gz MAPCFTIMMKHPOS-UHFFFAOYSA-N 1 2 352.482 1.867 20 70 FDIDLO NC(=O)[C@@H](c1cccc(Br)c1)[N@H+](CCO)Cc1cccnc1 ZINC000161354798 525086086 /nfs/dbraw/zinc/08/60/86/525086086.db2.gz GILYORDFUZLOKQ-OAHLLOKOSA-N 1 2 364.243 1.865 20 70 FDIDLO NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](CCO)Cc1cccnc1 ZINC000161354798 525086095 /nfs/dbraw/zinc/08/60/95/525086095.db2.gz GILYORDFUZLOKQ-OAHLLOKOSA-N 1 2 364.243 1.865 20 70 FDIDLO COC(=O)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(O)cc1 ZINC000161394313 525098818 /nfs/dbraw/zinc/09/88/18/525098818.db2.gz HCFZXAOBOCRYFM-HUUCEWRRSA-N 1 2 357.410 1.299 20 70 FDIDLO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161392219 525099391 /nfs/dbraw/zinc/09/93/91/525099391.db2.gz DVVOBARTAMJIMS-OAHLLOKOSA-N 1 2 365.437 1.969 20 70 FDIDLO Cc1ccccc1[C@H](CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)NC(N)=O ZINC000161425059 525104499 /nfs/dbraw/zinc/10/44/99/525104499.db2.gz XZBLFELQTZXREZ-WBVHZDCISA-N 1 2 367.453 1.885 20 70 FDIDLO C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000161047156 258263522 /nfs/dbraw/zinc/26/35/22/258263522.db2.gz NXMKAGXDKUQSPZ-KGLIPLIRSA-N 1 2 358.446 1.713 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000160316374 173706580 /nfs/dbraw/zinc/70/65/80/173706580.db2.gz CHCAVMKMLWGRMS-PMPSAXMXSA-N 1 2 351.447 1.598 20 70 FDIDLO CCCNC(=O)NC(=O)CN1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000159493542 524685696 /nfs/dbraw/zinc/68/56/96/524685696.db2.gz JAQDEUMLIIAFLV-AWEZNQCLSA-N 1 2 350.438 1.740 20 70 FDIDLO CC(C)CCn1ccc(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)n1 ZINC000159530993 524690886 /nfs/dbraw/zinc/69/08/86/524690886.db2.gz PLCRMLVWOALJIR-OAHLLOKOSA-N 1 2 353.467 1.086 20 70 FDIDLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159757388 524733933 /nfs/dbraw/zinc/73/39/33/524733933.db2.gz FFUGDDFPFMMNEI-NHYWBVRUSA-N 1 2 358.435 1.261 20 70 FDIDLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159757388 524733938 /nfs/dbraw/zinc/73/39/38/524733938.db2.gz FFUGDDFPFMMNEI-NHYWBVRUSA-N 1 2 358.435 1.261 20 70 FDIDLO Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000159762968 524734632 /nfs/dbraw/zinc/73/46/32/524734632.db2.gz BNMJURACGJMSKV-UHFFFAOYSA-N 1 2 368.437 1.790 20 70 FDIDLO CN(CC[NH+]1CCOCC1)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000159816398 524745216 /nfs/dbraw/zinc/74/52/16/524745216.db2.gz OHIORGYIIVIOHD-AWEZNQCLSA-N 1 2 367.881 1.287 20 70 FDIDLO COC(=O)[C@H](c1cccnc1)N1CC[NH+]([C@H](C)C(=O)NC2CCCC2)CC1 ZINC000159836845 524749731 /nfs/dbraw/zinc/74/97/31/524749731.db2.gz LFEHJHMPQHBNKT-QAPCUYQASA-N 1 2 374.485 1.361 20 70 FDIDLO C[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000159865756 524756039 /nfs/dbraw/zinc/75/60/39/524756039.db2.gz BLVSNFPVPUBXGF-TZMCWYRMSA-N 1 2 371.528 1.371 20 70 FDIDLO C[C@H](CNC(=O)NC[C@H]1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000159865756 524756048 /nfs/dbraw/zinc/75/60/48/524756048.db2.gz BLVSNFPVPUBXGF-TZMCWYRMSA-N 1 2 371.528 1.371 20 70 FDIDLO CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000159948971 524775375 /nfs/dbraw/zinc/77/53/75/524775375.db2.gz ZKZJHBDDVFACGD-UHFFFAOYSA-N 1 2 373.434 1.999 20 70 FDIDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@@H](C)O1 ZINC000159989664 524784727 /nfs/dbraw/zinc/78/47/27/524784727.db2.gz DGMPOAKLUSXYLK-BFYDXBDKSA-N 1 2 369.469 1.771 20 70 FDIDLO CC(C)(CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCOCC1 ZINC000160009530 524786403 /nfs/dbraw/zinc/78/64/03/524786403.db2.gz SSODECYKPUWMJK-UHFFFAOYSA-N 1 2 362.474 1.682 20 70 FDIDLO CC(C)Cn1ccnc1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160365692 524869888 /nfs/dbraw/zinc/86/98/88/524869888.db2.gz JNARRSRMVJMMTQ-UHFFFAOYSA-N 1 2 356.474 1.962 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000160456587 524893570 /nfs/dbraw/zinc/89/35/70/524893570.db2.gz BDZNDPOZZDNEGL-KBPBESRZSA-N 1 2 360.458 1.670 20 70 FDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 ZINC000160593602 524925182 /nfs/dbraw/zinc/92/51/82/524925182.db2.gz MRBWPMJXVUGKTE-CQSZACIVSA-N 1 2 350.440 1.558 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 ZINC000160593602 524925195 /nfs/dbraw/zinc/92/51/95/524925195.db2.gz MRBWPMJXVUGKTE-CQSZACIVSA-N 1 2 350.440 1.558 20 70 FDIDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCOCC2)cc1 ZINC000160703153 524951890 /nfs/dbraw/zinc/95/18/90/524951890.db2.gz MQVAQYURCDNGHE-QUCCMNQESA-N 1 2 361.486 1.925 20 70 FDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)Cc2cc(Cl)ccc2F)CC1 ZINC000160819479 524976642 /nfs/dbraw/zinc/97/66/42/524976642.db2.gz PFRCLWNADTVGRG-UHFFFAOYSA-N 1 2 364.870 1.697 20 70 FDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1 ZINC000160829517 524978260 /nfs/dbraw/zinc/97/82/60/524978260.db2.gz HVMGUZXXBBPOOM-UHFFFAOYSA-N 1 2 352.378 1.181 20 70 FDIDLO NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)Nc1cc[nH+]c(C2CC2)n1 ZINC000160886743 524989810 /nfs/dbraw/zinc/98/98/10/524989810.db2.gz MHFFEMXQINFJCA-OAHLLOKOSA-N 1 2 353.426 1.369 20 70 FDIDLO CN(C)c1cccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000160964609 525004419 /nfs/dbraw/zinc/00/44/19/525004419.db2.gz BSEXZNMHSDUSKL-UHFFFAOYSA-N 1 2 354.458 1.570 20 70 FDIDLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000161113429 525037350 /nfs/dbraw/zinc/03/73/50/525037350.db2.gz RUPMPFMQKZROQQ-CYBMUJFWSA-N 1 2 363.439 1.508 20 70 FDIDLO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000161137120 525042474 /nfs/dbraw/zinc/04/24/74/525042474.db2.gz UJMQCZDBUGXTKF-OAQYLSRUSA-N 1 2 366.465 1.888 20 70 FDIDLO CC[NH+](CC)CCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000161169349 525048100 /nfs/dbraw/zinc/04/81/00/525048100.db2.gz DTUYAFSWTPHAQW-UHFFFAOYSA-N 1 2 351.476 1.858 20 70 FDIDLO CC1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCC1 ZINC000161208238 525054554 /nfs/dbraw/zinc/05/45/54/525054554.db2.gz GJPBMXBCSUTBNX-HNNXBMFYSA-N 1 2 374.489 1.524 20 70 FDIDLO CC1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000161208238 525054564 /nfs/dbraw/zinc/05/45/64/525054564.db2.gz GJPBMXBCSUTBNX-HNNXBMFYSA-N 1 2 374.489 1.524 20 70 FDIDLO CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccnc1 ZINC000161315855 525078463 /nfs/dbraw/zinc/07/84/63/525078463.db2.gz ZQWPYAWLBBLMKM-JTDSTZFVSA-N 1 2 365.437 1.391 20 70 FDIDLO Cc1nc(C)c(CC(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)c(=O)[nH]1 ZINC000161325115 525083174 /nfs/dbraw/zinc/08/31/74/525083174.db2.gz FCYFFPQBHNSBPB-UHFFFAOYSA-N 1 2 374.872 1.927 20 70 FDIDLO O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161437238 525109100 /nfs/dbraw/zinc/10/91/00/525109100.db2.gz FNYWTEJKUMAPBX-VXGBXAGGSA-N 1 2 351.353 1.280 20 70 FDIDLO Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160392594 173709317 /nfs/dbraw/zinc/70/93/17/173709317.db2.gz WLGOAGIUBZWHSR-OAHLLOKOSA-N 1 2 370.501 1.890 20 70 FDIDLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1C ZINC000159439746 524670737 /nfs/dbraw/zinc/67/07/37/524670737.db2.gz ATPDNRPQQYDUJY-UHFFFAOYSA-N 1 2 370.515 1.983 20 70 FDIDLO C[C@H](c1cccc(F)c1)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000159464650 524676389 /nfs/dbraw/zinc/67/63/89/524676389.db2.gz AVEFQLZHWGXPPM-CQSZACIVSA-N 1 2 362.449 1.835 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159492027 524683546 /nfs/dbraw/zinc/68/35/46/524683546.db2.gz JBYRMESBXFDSLX-QGZVFWFLSA-N 1 2 370.457 1.664 20 70 FDIDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159496328 524684864 /nfs/dbraw/zinc/68/48/64/524684864.db2.gz BLRLZRIUHIRFKW-AWEZNQCLSA-N 1 2 354.414 1.932 20 70 FDIDLO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159709886 524724922 /nfs/dbraw/zinc/72/49/22/524724922.db2.gz KDKCMAQFSGYSRM-RCCFBDPRSA-N 1 2 374.485 1.052 20 70 FDIDLO CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159709886 524724928 /nfs/dbraw/zinc/72/49/28/524724928.db2.gz KDKCMAQFSGYSRM-RCCFBDPRSA-N 1 2 374.485 1.052 20 70 FDIDLO O=S(=O)(c1cccnc1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000159877850 524760705 /nfs/dbraw/zinc/76/07/05/524760705.db2.gz QEHWRLPIZGMZKA-UHFFFAOYSA-N 1 2 357.439 1.464 20 70 FDIDLO CCOCc1ccccc1CNC(=O)CSCC[NH+]1CCOCC1 ZINC000159897623 524761915 /nfs/dbraw/zinc/76/19/15/524761915.db2.gz JMFREHORNJXRNO-UHFFFAOYSA-N 1 2 352.500 1.905 20 70 FDIDLO C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000159955403 524775180 /nfs/dbraw/zinc/77/51/80/524775180.db2.gz LNSDXDFZXWNINA-KGLIPLIRSA-N 1 2 362.474 1.680 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000160041356 524794713 /nfs/dbraw/zinc/79/47/13/524794713.db2.gz WGZSHGBAZCGEMB-AWEZNQCLSA-N 1 2 366.462 1.347 20 70 FDIDLO CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000160163610 524821710 /nfs/dbraw/zinc/82/17/10/524821710.db2.gz KFIMAWLVXYIFDC-AEFFLSMTSA-N 1 2 365.499 1.997 20 70 FDIDLO CCOC(=O)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160186606 524827042 /nfs/dbraw/zinc/82/70/42/524827042.db2.gz FVYZJQLNUYJRFD-HNNXBMFYSA-N 1 2 354.472 1.548 20 70 FDIDLO CCOC(=O)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160186606 524827050 /nfs/dbraw/zinc/82/70/50/524827050.db2.gz FVYZJQLNUYJRFD-HNNXBMFYSA-N 1 2 354.472 1.548 20 70 FDIDLO Cc1cnn(Cc2cc(C(=O)N3CC[NH+](Cc4ccncc4)CC3)no2)c1 ZINC000160264297 524844170 /nfs/dbraw/zinc/84/41/70/524844170.db2.gz UJNOGNILQJEGAC-UHFFFAOYSA-N 1 2 366.425 1.581 20 70 FDIDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc(Sc3ccncc3)cc2)CC1 ZINC000160314332 524855284 /nfs/dbraw/zinc/85/52/84/524855284.db2.gz WNUGXRRVQVKDKO-UHFFFAOYSA-N 1 2 356.451 1.945 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1F)C[NH+]1CCOCC1 ZINC000160377912 524872161 /nfs/dbraw/zinc/87/21/61/524872161.db2.gz VSNXBDVPWZTGPM-SNVBAGLBSA-N 1 2 352.378 1.351 20 70 FDIDLO COc1ccc(Cl)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000160376955 524872390 /nfs/dbraw/zinc/87/23/90/524872390.db2.gz FBBLNTZIINGGGU-LBPRGKRZSA-N 1 2 362.879 1.595 20 70 FDIDLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387549 524876452 /nfs/dbraw/zinc/87/64/52/524876452.db2.gz KTKIGIYCUKBGCK-AZUAARDMSA-N 1 2 373.497 1.869 20 70 FDIDLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387549 524876461 /nfs/dbraw/zinc/87/64/61/524876461.db2.gz KTKIGIYCUKBGCK-AZUAARDMSA-N 1 2 373.497 1.869 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1c(Cl)nc2ccccn21)C[NH+]1CCOCC1 ZINC000160394132 524879231 /nfs/dbraw/zinc/87/92/31/524879231.db2.gz QCENUWBOYIGKDE-GFCCVEGCSA-N 1 2 372.878 1.234 20 70 FDIDLO CC[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160479757 524898619 /nfs/dbraw/zinc/89/86/19/524898619.db2.gz HQQRPOKBIAUPBJ-HNNXBMFYSA-N 1 2 360.458 1.956 20 70 FDIDLO CCn1cnnc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160698872 524950974 /nfs/dbraw/zinc/95/09/74/524950974.db2.gz XTVUWHOMOTXBCQ-GDBMZVCRSA-N 1 2 364.400 1.821 20 70 FDIDLO CCn1cnnc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160698872 524950984 /nfs/dbraw/zinc/95/09/84/524950984.db2.gz XTVUWHOMOTXBCQ-GDBMZVCRSA-N 1 2 364.400 1.821 20 70 FDIDLO COc1ncc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1C(N)=O ZINC000160762994 524967206 /nfs/dbraw/zinc/96/72/06/524967206.db2.gz VUADSKVBXHKFJZ-UHFFFAOYSA-N 1 2 351.366 1.686 20 70 FDIDLO C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC3(C)C)c2)CC1 ZINC000161035263 525019763 /nfs/dbraw/zinc/01/97/63/525019763.db2.gz HDDVUWYDLPCNNW-HNNXBMFYSA-N 1 2 351.472 1.607 20 70 FDIDLO COc1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1OC ZINC000161150728 525044502 /nfs/dbraw/zinc/04/45/02/525044502.db2.gz TZHFPXCXGRILOC-UHFFFAOYSA-N 1 2 370.453 1.855 20 70 FDIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OCC(N)=O)cc2)C1 ZINC000161292142 525075035 /nfs/dbraw/zinc/07/50/35/525075035.db2.gz AKVXIXVEYQBJMW-CQSZACIVSA-N 1 2 371.441 1.771 20 70 FDIDLO C[C@@H](C(=O)N1CCOC[C@H]1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161349152 525086509 /nfs/dbraw/zinc/08/65/09/525086509.db2.gz DYSLRYYFNGHRLF-KXBFYZLASA-N 1 2 361.461 1.974 20 70 FDIDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218083299 537460117 /nfs/dbraw/zinc/46/01/17/537460117.db2.gz DUZWGVBTIHAWMB-OAHLLOKOSA-N 1 2 374.466 1.341 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164727556 720445755 /nfs/dbraw/zinc/44/57/55/720445755.db2.gz DKKRAJMZOZEJLP-KBPBESRZSA-N 1 2 363.418 1.383 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164727556 720445769 /nfs/dbraw/zinc/44/57/69/720445769.db2.gz DKKRAJMZOZEJLP-KBPBESRZSA-N 1 2 363.418 1.383 20 70 FDIDLO COC[C@H](O)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000159460100 524673396 /nfs/dbraw/zinc/67/33/96/524673396.db2.gz IAHDWWQVULIWNN-QGZVFWFLSA-N 1 2 369.421 1.959 20 70 FDIDLO Cc1cc(NC(=O)c2ccccc2S(=O)(=O)CC[NH+](C)C)nn1C ZINC000159552811 524695411 /nfs/dbraw/zinc/69/54/11/524695411.db2.gz CORNRJGXWQZNEI-UHFFFAOYSA-N 1 2 350.444 1.316 20 70 FDIDLO O=C(NCCCNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCC1 ZINC000159656732 524714815 /nfs/dbraw/zinc/71/48/15/524714815.db2.gz UCVRCLDCORTRFC-UHFFFAOYSA-N 1 2 359.474 1.215 20 70 FDIDLO O=C(C[N@H+]1CCCN(C(=O)c2ccnc(Cl)c2F)CC1)N1CCCC1 ZINC000159735718 524728774 /nfs/dbraw/zinc/72/87/74/524728774.db2.gz VQUZHQKSEGFLMT-UHFFFAOYSA-N 1 2 368.840 1.644 20 70 FDIDLO O=C(C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2F)CC1)N1CCCC1 ZINC000159735718 524728784 /nfs/dbraw/zinc/72/87/84/524728784.db2.gz VQUZHQKSEGFLMT-UHFFFAOYSA-N 1 2 368.840 1.644 20 70 FDIDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783560 524737018 /nfs/dbraw/zinc/73/70/18/524737018.db2.gz CFVKYKGSVJIEML-RHSMWYFYSA-N 1 2 367.515 1.218 20 70 FDIDLO C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783560 524737028 /nfs/dbraw/zinc/73/70/28/524737028.db2.gz CFVKYKGSVJIEML-RHSMWYFYSA-N 1 2 367.515 1.218 20 70 FDIDLO CC[C@@H](CC(=O)NCC(=O)NCC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000159822057 524745844 /nfs/dbraw/zinc/74/58/44/524745844.db2.gz BUZONPXDHRJDCC-KRWDZBQOSA-N 1 2 361.486 1.443 20 70 FDIDLO CSC[C@](C)(O)CNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000160119980 524813644 /nfs/dbraw/zinc/81/36/44/524813644.db2.gz RXVJKAJOSIZJNE-XJKSGUPXSA-N 1 2 361.458 1.981 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160136342 524817119 /nfs/dbraw/zinc/81/71/19/524817119.db2.gz FBPYQLIHVMDMNP-CYBMUJFWSA-N 1 2 360.439 1.046 20 70 FDIDLO O=C(c1ccsc1)N1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160200383 524829859 /nfs/dbraw/zinc/82/98/59/524829859.db2.gz YGLCEYIGQASAJC-AWEZNQCLSA-N 1 2 358.467 1.882 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000160356008 524866678 /nfs/dbraw/zinc/86/66/78/524866678.db2.gz LXLRHNBAPDHLKR-DZGCQCFKSA-N 1 2 360.458 1.860 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C[NH+]1CCOCC1 ZINC000160398111 524878701 /nfs/dbraw/zinc/87/87/01/524878701.db2.gz DARCPEIKQRBKBJ-KGLIPLIRSA-N 1 2 354.472 1.257 20 70 FDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 ZINC000160593723 524925832 /nfs/dbraw/zinc/92/58/32/524925832.db2.gz MRBWPMJXVUGKTE-AWEZNQCLSA-N 1 2 350.440 1.558 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1coc2ccccc12 ZINC000160593723 524925836 /nfs/dbraw/zinc/92/58/36/524925836.db2.gz MRBWPMJXVUGKTE-AWEZNQCLSA-N 1 2 350.440 1.558 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000160626050 524932071 /nfs/dbraw/zinc/93/20/71/524932071.db2.gz KHVPRRZTWFUQLY-ZDUSSCGKSA-N 1 2 371.441 1.784 20 70 FDIDLO Cc1ccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCOCC2)cc1 ZINC000160702882 524951354 /nfs/dbraw/zinc/95/13/54/524951354.db2.gz MQVAQYURCDNGHE-UYAOXDASSA-N 1 2 361.486 1.925 20 70 FDIDLO C[C@H]1CN(c2ccc(CNC(=O)NCc3ccccc3CO)c[nH+]2)CCO1 ZINC000161128673 525039643 /nfs/dbraw/zinc/03/96/43/525039643.db2.gz JOCCHGIQIVCCMM-HNNXBMFYSA-N 1 2 370.453 1.798 20 70 FDIDLO C[C@@H](C(=O)NCCc1ccccc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161221268 525058196 /nfs/dbraw/zinc/05/81/96/525058196.db2.gz OEYRDASLUWPTDM-SFHVURJKSA-N 1 2 352.482 1.947 20 70 FDIDLO C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161221268 525058205 /nfs/dbraw/zinc/05/82/05/525058205.db2.gz OEYRDASLUWPTDM-SFHVURJKSA-N 1 2 352.482 1.947 20 70 FDIDLO C[C@H](O)C(=O)N1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000161217274 525058550 /nfs/dbraw/zinc/05/85/50/525058550.db2.gz GQPHTRJSVIVKRH-ZDUSSCGKSA-N 1 2 357.414 1.144 20 70 FDIDLO COc1ccccc1CNC(=O)[C@H](C)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161226472 525060618 /nfs/dbraw/zinc/06/06/18/525060618.db2.gz OAMFIJQSHUNOTO-KRWDZBQOSA-N 1 2 368.481 1.913 20 70 FDIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000161330281 525082654 /nfs/dbraw/zinc/08/26/54/525082654.db2.gz ARYQKGZPTBMNKF-RHSMWYFYSA-N 1 2 372.387 1.742 20 70 FDIDLO Cc1cc(O)cc(=O)n1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000161488722 525118225 /nfs/dbraw/zinc/11/82/25/525118225.db2.gz CQMSOFGNYAQGQI-UHFFFAOYSA-N 1 2 357.410 1.333 20 70 FDIDLO C[N@@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000161502284 525119072 /nfs/dbraw/zinc/11/90/72/525119072.db2.gz JTDJZYNLNKQMPY-UHFFFAOYSA-N 1 2 357.482 1.848 20 70 FDIDLO C[N@H+]1CCc2nc(NC(=O)c3cc(S(C)(=O)=O)cs3)sc2C1 ZINC000161502284 525119079 /nfs/dbraw/zinc/11/90/79/525119079.db2.gz JTDJZYNLNKQMPY-UHFFFAOYSA-N 1 2 357.482 1.848 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[NH+]1CCOCC1 ZINC000161046764 258263502 /nfs/dbraw/zinc/26/35/02/258263502.db2.gz NXMKAGXDKUQSPZ-UONOGXRCSA-N 1 2 358.446 1.713 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)s1 ZINC000159581143 517846045 /nfs/dbraw/zinc/84/60/45/517846045.db2.gz CDAUIRLYCPKKGS-UHFFFAOYSA-N 1 2 368.528 1.859 20 70 FDIDLO COc1ccccc1OCC[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159444784 524672877 /nfs/dbraw/zinc/67/28/77/524672877.db2.gz UQGFYENUPPHFBU-UHFFFAOYSA-N 1 2 357.410 1.220 20 70 FDIDLO CC(=O)N1CCOC[C@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000159494642 524685230 /nfs/dbraw/zinc/68/52/30/524685230.db2.gz CXAQEEKQCFOZJY-HNNXBMFYSA-N 1 2 366.487 1.561 20 70 FDIDLO O=S(=O)(c1c[nH]c2ncccc12)N1CC[NH+](CCOCC2CC2)CC1 ZINC000159535330 524690932 /nfs/dbraw/zinc/69/09/32/524690932.db2.gz NPPNBCDPTKSYFU-UHFFFAOYSA-N 1 2 364.471 1.296 20 70 FDIDLO COC[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000159577695 524699116 /nfs/dbraw/zinc/69/91/16/524699116.db2.gz IZYZSNFUNMAWBX-INIZCTEOSA-N 1 2 362.474 1.298 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000159760975 524733822 /nfs/dbraw/zinc/73/38/22/524733822.db2.gz AVZKSADRJDGFAR-DZGCQCFKSA-N 1 2 360.458 1.860 20 70 FDIDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783686 524736538 /nfs/dbraw/zinc/73/65/38/524736538.db2.gz CFVKYKGSVJIEML-YOEHRIQHSA-N 1 2 367.515 1.218 20 70 FDIDLO C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783686 524736545 /nfs/dbraw/zinc/73/65/45/524736545.db2.gz CFVKYKGSVJIEML-YOEHRIQHSA-N 1 2 367.515 1.218 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000159890403 524759344 /nfs/dbraw/zinc/75/93/44/524759344.db2.gz DKCCQFDKTOHLBS-UHFFFAOYSA-N 1 2 368.503 1.648 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)CC2 ZINC000159984248 524782739 /nfs/dbraw/zinc/78/27/39/524782739.db2.gz DRJQPQWZLICCSC-QGZVFWFLSA-N 1 2 356.401 1.473 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)CC2 ZINC000159984248 524782752 /nfs/dbraw/zinc/78/27/52/524782752.db2.gz DRJQPQWZLICCSC-QGZVFWFLSA-N 1 2 356.401 1.473 20 70 FDIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000160077672 524803354 /nfs/dbraw/zinc/80/33/54/524803354.db2.gz JLUXUJPPZPKLAG-CYBMUJFWSA-N 1 2 357.389 1.460 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cc(F)ccc1Cl)C[NH+]1CCOCC1 ZINC000160397720 524877540 /nfs/dbraw/zinc/87/75/40/524877540.db2.gz DNOFNKIWYAYXBM-NSHDSACASA-N 1 2 350.843 1.726 20 70 FDIDLO CC(C)(C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc2c(c1)OCCO2 ZINC000160403909 524880553 /nfs/dbraw/zinc/88/05/53/524880553.db2.gz WKRGVCNJGGAQEH-INIZCTEOSA-N 1 2 360.454 1.715 20 70 FDIDLO CC(C)(C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc2c(c1)OCCO2 ZINC000160403909 524880560 /nfs/dbraw/zinc/88/05/60/524880560.db2.gz WKRGVCNJGGAQEH-INIZCTEOSA-N 1 2 360.454 1.715 20 70 FDIDLO Cc1ccc2nc(CSCC(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)cn2c1 ZINC000160419114 524883038 /nfs/dbraw/zinc/88/30/38/524883038.db2.gz NJNZGVXGGWWDCK-KRWDZBQOSA-N 1 2 374.510 1.855 20 70 FDIDLO Cc1ccc2nc(CSCC(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)cn2c1 ZINC000160419114 524883047 /nfs/dbraw/zinc/88/30/47/524883047.db2.gz NJNZGVXGGWWDCK-KRWDZBQOSA-N 1 2 374.510 1.855 20 70 FDIDLO CS(=O)(=O)c1ccccc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160468718 524895085 /nfs/dbraw/zinc/89/50/85/524895085.db2.gz UVPRDHJAQCJCME-ZDUSSCGKSA-N 1 2 360.439 1.886 20 70 FDIDLO C[C@@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)CC1(C)OCCO1 ZINC000160735876 524961078 /nfs/dbraw/zinc/96/10/78/524961078.db2.gz NRHDLYJMNSGVLY-CQSZACIVSA-N 1 2 350.463 1.850 20 70 FDIDLO CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000160773549 524969242 /nfs/dbraw/zinc/96/92/42/524969242.db2.gz FNJUOBNOKANGRI-CVEARBPZSA-N 1 2 360.458 1.641 20 70 FDIDLO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000160784773 524971247 /nfs/dbraw/zinc/97/12/47/524971247.db2.gz YFXXAYXEXUTNKW-IYBDPMFKSA-N 1 2 367.515 1.733 20 70 FDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000160943522 524999971 /nfs/dbraw/zinc/99/99/71/524999971.db2.gz YMWHRKGHKXVKCZ-GOSISDBHSA-N 1 2 366.469 1.583 20 70 FDIDLO COCCOc1cccc(CC(=O)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000161113013 525034805 /nfs/dbraw/zinc/03/48/05/525034805.db2.gz LINAZMGCPHDKLV-UHFFFAOYSA-N 1 2 369.465 1.994 20 70 FDIDLO CCc1nn(C)c(OC)c1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161107794 525034960 /nfs/dbraw/zinc/03/49/60/525034960.db2.gz STELUMRHVZEMJO-UHFFFAOYSA-N 1 2 372.473 1.414 20 70 FDIDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161197311 525052334 /nfs/dbraw/zinc/05/23/34/525052334.db2.gz VTEQPFFQNCSUNJ-AEFFLSMTSA-N 1 2 373.501 1.604 20 70 FDIDLO Cc1cccc(OCCNC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161205771 525054656 /nfs/dbraw/zinc/05/46/56/525054656.db2.gz WQKLQCGQATXEAY-UHFFFAOYSA-N 1 2 368.481 1.703 20 70 FDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161216082 525056717 /nfs/dbraw/zinc/05/67/17/525056717.db2.gz SUUQTWIOZYKAJF-QZTJIDSGSA-N 1 2 363.502 1.984 20 70 FDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161216082 525056720 /nfs/dbraw/zinc/05/67/20/525056720.db2.gz SUUQTWIOZYKAJF-QZTJIDSGSA-N 1 2 363.502 1.984 20 70 FDIDLO CCC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000161419265 525105286 /nfs/dbraw/zinc/10/52/86/525105286.db2.gz LMIVJSPGACUIOB-OAHLLOKOSA-N 1 2 369.425 1.153 20 70 FDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)C1CCN(c2cnccn2)CC1 ZINC000161422175 525105651 /nfs/dbraw/zinc/10/56/51/525105651.db2.gz MYWPIOZVJDMXRN-INIZCTEOSA-N 1 2 352.442 1.483 20 70 FDIDLO O=S(=O)(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc2c(c1)OCCO2 ZINC000218102591 537459264 /nfs/dbraw/zinc/45/92/64/537459264.db2.gz DJVAWTHVESOMSC-ZDUSSCGKSA-N 1 2 361.423 1.410 20 70 FDIDLO COC[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000159697472 173685882 /nfs/dbraw/zinc/68/58/82/173685882.db2.gz JZVGESWBNHYEGZ-OALUTQOASA-N 1 2 361.486 1.654 20 70 FDIDLO O=C(NCCn1cccc1)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000160164609 173701021 /nfs/dbraw/zinc/70/10/21/173701021.db2.gz HTYUKNFFEMHVOF-UHFFFAOYSA-N 1 2 356.426 1.075 20 70 FDIDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159410837 524663839 /nfs/dbraw/zinc/66/38/39/524663839.db2.gz BDCYVQMDWACANA-IIBYNOLFSA-N 1 2 368.481 1.941 20 70 FDIDLO C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159410837 524663846 /nfs/dbraw/zinc/66/38/46/524663846.db2.gz BDCYVQMDWACANA-IIBYNOLFSA-N 1 2 368.481 1.941 20 70 FDIDLO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000159460041 524673608 /nfs/dbraw/zinc/67/36/08/524673608.db2.gz RDMDNFRZWFDPNO-HZPDHXFCSA-N 1 2 361.552 1.499 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c(F)cccc1F ZINC000159470273 524679160 /nfs/dbraw/zinc/67/91/60/524679160.db2.gz XAQBURQXSKZUIY-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO O=C(CCNC(=O)C1CCCCC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159549909 524696060 /nfs/dbraw/zinc/69/60/60/524696060.db2.gz KSMYHMWHFRJFSF-UHFFFAOYSA-N 1 2 358.486 1.812 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N[C@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000159598324 524706853 /nfs/dbraw/zinc/70/68/53/524706853.db2.gz KKHHQFNUFCJTCQ-HNNXBMFYSA-N 1 2 361.467 1.659 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000159761226 524732888 /nfs/dbraw/zinc/73/28/88/524732888.db2.gz AVZKSADRJDGFAR-UKRRQHHQSA-N 1 2 360.458 1.860 20 70 FDIDLO C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159773877 524736140 /nfs/dbraw/zinc/73/61/40/524736140.db2.gz OFCHBFTWOUTXSK-AWEZNQCLSA-N 1 2 352.500 1.763 20 70 FDIDLO C[C@@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159773877 524736145 /nfs/dbraw/zinc/73/61/45/524736145.db2.gz OFCHBFTWOUTXSK-AWEZNQCLSA-N 1 2 352.500 1.763 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCCOc1cccc(Cl)c1 ZINC000159900086 524761323 /nfs/dbraw/zinc/76/13/23/524761323.db2.gz MDAXTGUTQZBUTL-UHFFFAOYSA-N 1 2 358.891 1.900 20 70 FDIDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@@H](C)C1 ZINC000159901267 524764620 /nfs/dbraw/zinc/76/46/20/524764620.db2.gz UTDICDUUEOCVAV-JTQLQIEISA-N 1 2 360.336 1.205 20 70 FDIDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@@H](C)C1 ZINC000159901267 524764633 /nfs/dbraw/zinc/76/46/33/524764633.db2.gz UTDICDUUEOCVAV-JTQLQIEISA-N 1 2 360.336 1.205 20 70 FDIDLO Cc1c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cnn1-c1ccccc1 ZINC000159922780 524768085 /nfs/dbraw/zinc/76/80/85/524768085.db2.gz FTNRXILSMRTKPS-UHFFFAOYSA-N 1 2 352.398 1.522 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160270040 524846565 /nfs/dbraw/zinc/84/65/65/524846565.db2.gz PMSWURRHSNVQET-HUUCEWRRSA-N 1 2 365.424 1.691 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160270040 524846574 /nfs/dbraw/zinc/84/65/74/524846574.db2.gz PMSWURRHSNVQET-HUUCEWRRSA-N 1 2 365.424 1.691 20 70 FDIDLO C[C@@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCCC[C@H]1C ZINC000160296514 524851380 /nfs/dbraw/zinc/85/13/80/524851380.db2.gz YFWYGWCSZLZQMH-IAGOWNOFSA-N 1 2 373.501 1.698 20 70 FDIDLO CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000160411010 524881741 /nfs/dbraw/zinc/88/17/41/524881741.db2.gz RPCNUNWVQYPFKM-GFCCVEGCSA-N 1 2 359.396 1.862 20 70 FDIDLO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000160585839 524923670 /nfs/dbraw/zinc/92/36/70/524923670.db2.gz LJPCRFJRGILWGY-UONOGXRCSA-N 1 2 354.414 1.369 20 70 FDIDLO Cc1ccc(O)c(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000160600494 524924430 /nfs/dbraw/zinc/92/44/30/524924430.db2.gz WMUNMMXNKPBJDV-UHFFFAOYSA-N 1 2 359.401 1.958 20 70 FDIDLO O=C(NOCc1cccnc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000161028922 525019493 /nfs/dbraw/zinc/01/94/93/525019493.db2.gz YTTIWYSXRLYBDO-SFHVURJKSA-N 1 2 356.426 1.886 20 70 FDIDLO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nccs1 ZINC000161079285 525029456 /nfs/dbraw/zinc/02/94/56/525029456.db2.gz GNBYVKSBNDTXRG-GXFFZTMASA-N 1 2 368.484 1.858 20 70 FDIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161078292 525029544 /nfs/dbraw/zinc/02/95/44/525029544.db2.gz QYPGFTXOKDQHLZ-MRXNPFEDSA-N 1 2 355.438 1.686 20 70 FDIDLO CC(C)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000161190959 525049559 /nfs/dbraw/zinc/04/95/59/525049559.db2.gz VIIQKWRFIITMHP-UHFFFAOYSA-N 1 2 358.486 1.975 20 70 FDIDLO CC(C)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cn1 ZINC000161190959 525049564 /nfs/dbraw/zinc/04/95/64/525049564.db2.gz VIIQKWRFIITMHP-UHFFFAOYSA-N 1 2 358.486 1.975 20 70 FDIDLO O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161284805 525072134 /nfs/dbraw/zinc/07/21/34/525072134.db2.gz RDIYRSVCRMCZFB-CYBMUJFWSA-N 1 2 374.391 1.708 20 70 FDIDLO C[C@@H](C(=O)N1CCOC[C@@H]1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161348916 525087241 /nfs/dbraw/zinc/08/72/41/525087241.db2.gz DYSLRYYFNGHRLF-HNAYVOBHSA-N 1 2 361.461 1.974 20 70 FDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCN(c2cnccn2)CC1 ZINC000161422349 525105380 /nfs/dbraw/zinc/10/53/80/525105380.db2.gz MYWPIOZVJDMXRN-MRXNPFEDSA-N 1 2 352.442 1.483 20 70 FDIDLO CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)NCCn1cc[nH+]c1 ZINC000159370358 524654873 /nfs/dbraw/zinc/65/48/73/524654873.db2.gz ODMMSEUKXSHISF-UHFFFAOYSA-N 1 2 365.459 1.782 20 70 FDIDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000159444574 524672117 /nfs/dbraw/zinc/67/21/17/524672117.db2.gz LVPMGFVPKXXDMZ-QMMMGPOBSA-N 1 2 361.229 1.837 20 70 FDIDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(N)=O ZINC000159444574 524672130 /nfs/dbraw/zinc/67/21/30/524672130.db2.gz LVPMGFVPKXXDMZ-QMMMGPOBSA-N 1 2 361.229 1.837 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1ccc(F)cc1 ZINC000159459479 524673507 /nfs/dbraw/zinc/67/35/07/524673507.db2.gz NLAZTFRTMWEDMT-UHFFFAOYSA-N 1 2 358.479 1.946 20 70 FDIDLO Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159513051 524687034 /nfs/dbraw/zinc/68/70/34/524687034.db2.gz IEQMRCSCWDOWIT-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159513051 524687046 /nfs/dbraw/zinc/68/70/46/524687046.db2.gz IEQMRCSCWDOWIT-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000159620061 524711675 /nfs/dbraw/zinc/71/16/75/524711675.db2.gz NNJCXUWELXFYKP-ICSRJNTNSA-N 1 2 354.450 1.955 20 70 FDIDLO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000159620061 524711681 /nfs/dbraw/zinc/71/16/81/524711681.db2.gz NNJCXUWELXFYKP-ICSRJNTNSA-N 1 2 354.450 1.955 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159742877 524731969 /nfs/dbraw/zinc/73/19/69/524731969.db2.gz QYBQLFAEJSJOME-IAGOWNOFSA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159742877 524731974 /nfs/dbraw/zinc/73/19/74/524731974.db2.gz QYBQLFAEJSJOME-IAGOWNOFSA-N 1 2 360.845 1.989 20 70 FDIDLO COc1c(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)c(C)nn1C ZINC000159754911 524733535 /nfs/dbraw/zinc/73/35/35/524733535.db2.gz BRSXYIRYNWROMX-ZDUSSCGKSA-N 1 2 367.247 1.816 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159979761 524779329 /nfs/dbraw/zinc/77/93/29/524779329.db2.gz MUPXPAJJJXXPGG-GHMZBOCLSA-N 1 2 360.380 1.370 20 70 FDIDLO CN(CC[NH+]1CCOCC1)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000160060911 524799320 /nfs/dbraw/zinc/79/93/20/524799320.db2.gz FKUMYZWXPUAWOE-UHFFFAOYSA-N 1 2 359.430 1.253 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2sc(C)nc2C)C1 ZINC000160229006 524837290 /nfs/dbraw/zinc/83/72/90/524837290.db2.gz RZCCCCRBKWUDFR-AWEZNQCLSA-N 1 2 353.488 1.993 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2sc(C)nc2C)C1 ZINC000160229006 524837300 /nfs/dbraw/zinc/83/73/00/524837300.db2.gz RZCCCCRBKWUDFR-AWEZNQCLSA-N 1 2 353.488 1.993 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160270623 524844674 /nfs/dbraw/zinc/84/46/74/524844674.db2.gz KYHAEAYZMNVMKP-ZBFHGGJFSA-N 1 2 365.424 1.691 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160270623 524844685 /nfs/dbraw/zinc/84/46/85/524844685.db2.gz KYHAEAYZMNVMKP-ZBFHGGJFSA-N 1 2 365.424 1.691 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCCCNC1=O ZINC000160298534 524852371 /nfs/dbraw/zinc/85/23/71/524852371.db2.gz ZSJODCBCYPZJBS-CQSZACIVSA-N 1 2 361.471 1.532 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccnn1Cc1cccs1)[C@@H]1CCCCNC1=O ZINC000160298534 524852380 /nfs/dbraw/zinc/85/23/80/524852380.db2.gz ZSJODCBCYPZJBS-CQSZACIVSA-N 1 2 361.471 1.532 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000160332314 524861073 /nfs/dbraw/zinc/86/10/73/524861073.db2.gz BHAMPBIZDTXJNV-UHFFFAOYSA-N 1 2 354.476 1.127 20 70 FDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160386856 524875719 /nfs/dbraw/zinc/87/57/19/524875719.db2.gz YQPBRHMAISOVCZ-IAGOWNOFSA-N 1 2 366.506 1.140 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000160401185 524878079 /nfs/dbraw/zinc/87/80/79/524878079.db2.gz MILGWSBRZQHQRR-GFCCVEGCSA-N 1 2 366.405 1.952 20 70 FDIDLO NC(=O)C[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160465786 524895462 /nfs/dbraw/zinc/89/54/62/524895462.db2.gz AJNCHHAUSSQFOJ-QMTHXVAHSA-N 1 2 354.248 1.563 20 70 FDIDLO NC(=O)C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160465786 524895473 /nfs/dbraw/zinc/89/54/73/524895473.db2.gz AJNCHHAUSSQFOJ-QMTHXVAHSA-N 1 2 354.248 1.563 20 70 FDIDLO COc1ccc(Cl)c(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000160822793 524978018 /nfs/dbraw/zinc/97/80/18/524978018.db2.gz LGMGKJVNLZOWBU-UHFFFAOYSA-N 1 2 362.879 1.426 20 70 FDIDLO COc1ccccc1C[NH+]1CCN(C(=O)C(=O)Nc2nocc2C)CC1 ZINC000161007529 525014913 /nfs/dbraw/zinc/01/49/13/525014913.db2.gz WBTYBEGNXAADQD-UHFFFAOYSA-N 1 2 358.398 1.275 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)c2c1 ZINC000161096887 525033448 /nfs/dbraw/zinc/03/34/48/525033448.db2.gz WMZADEWTDYWMQP-QGZVFWFLSA-N 1 2 369.421 1.880 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)c2c1 ZINC000161096887 525033462 /nfs/dbraw/zinc/03/34/62/525033462.db2.gz WMZADEWTDYWMQP-QGZVFWFLSA-N 1 2 369.421 1.880 20 70 FDIDLO C[C@@H](NC(=O)N1CCO[C@H](c2cccs2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000161116040 525036529 /nfs/dbraw/zinc/03/65/29/525036529.db2.gz QZRXTRGPADLNLS-ILXRZTDVSA-N 1 2 353.488 1.940 20 70 FDIDLO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[nH]n1 ZINC000161141697 525041224 /nfs/dbraw/zinc/04/12/24/525041224.db2.gz HOISIMFZHVJTLP-HNNXBMFYSA-N 1 2 355.486 1.827 20 70 FDIDLO Cc1cc(C[C@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000161141697 525041233 /nfs/dbraw/zinc/04/12/33/525041233.db2.gz HOISIMFZHVJTLP-HNNXBMFYSA-N 1 2 355.486 1.827 20 70 FDIDLO COCCOc1cccc(CC(=O)N2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000161157786 525046577 /nfs/dbraw/zinc/04/65/77/525046577.db2.gz XDZBMBCTBQYRCW-UHFFFAOYSA-N 1 2 369.465 1.994 20 70 FDIDLO COc1cccc(CNC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161168807 525047399 /nfs/dbraw/zinc/04/73/99/525047399.db2.gz IHWCZOVQWXZMCC-UHFFFAOYSA-N 1 2 354.454 1.524 20 70 FDIDLO COC(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000161149928 173731555 /nfs/dbraw/zinc/73/15/55/173731555.db2.gz OGLZOFKZQFIUSS-UHFFFAOYSA-N 1 2 368.437 1.625 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000159467800 524675652 /nfs/dbraw/zinc/67/56/52/524675652.db2.gz LWXANSTZPUHRNL-GJZGRUSLSA-N 1 2 356.430 1.715 20 70 FDIDLO CNC(=O)COc1cccc(CC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000159585836 524702722 /nfs/dbraw/zinc/70/27/22/524702722.db2.gz LPYOPQMVZOEVKY-UHFFFAOYSA-N 1 2 368.437 1.098 20 70 FDIDLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159857923 524754682 /nfs/dbraw/zinc/75/46/82/524754682.db2.gz KXEZJHASEWZIMN-IPYPFGDCSA-N 1 2 354.472 1.510 20 70 FDIDLO C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159857923 524754693 /nfs/dbraw/zinc/75/46/93/524754693.db2.gz KXEZJHASEWZIMN-IPYPFGDCSA-N 1 2 354.472 1.510 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCc1cnn(-c2ccccc2)c1 ZINC000160055083 524799072 /nfs/dbraw/zinc/79/90/72/524799072.db2.gz PKSPPBAAUIZUFD-UHFFFAOYSA-N 1 2 360.483 1.554 20 70 FDIDLO CCN(CC)c1ccc(CNC(=O)N(C)CCS(=O)(=O)CC)c[nH+]1 ZINC000160163762 524821788 /nfs/dbraw/zinc/82/17/88/524821788.db2.gz RIMNMCHBHFMEOG-UHFFFAOYSA-N 1 2 356.492 1.504 20 70 FDIDLO Cc1conc1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000160357457 524866519 /nfs/dbraw/zinc/86/65/19/524866519.db2.gz LOPISHIQTGKSAO-UHFFFAOYSA-N 1 2 360.389 1.795 20 70 FDIDLO Cc1conc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000160357457 524866530 /nfs/dbraw/zinc/86/65/30/524866530.db2.gz LOPISHIQTGKSAO-UHFFFAOYSA-N 1 2 360.389 1.795 20 70 FDIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)[nH]n1 ZINC000160404904 524880412 /nfs/dbraw/zinc/88/04/12/524880412.db2.gz GITJOSMUOIEGEH-CQSZACIVSA-N 1 2 358.446 1.020 20 70 FDIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)[nH]n1 ZINC000160404904 524880418 /nfs/dbraw/zinc/88/04/18/524880418.db2.gz GITJOSMUOIEGEH-CQSZACIVSA-N 1 2 358.446 1.020 20 70 FDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(C)oc2ccccc21 ZINC000160600508 524925608 /nfs/dbraw/zinc/92/56/08/524925608.db2.gz QGVKWPFQLOZSRO-CQSZACIVSA-N 1 2 364.467 1.866 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1c(C)oc2ccccc21 ZINC000160600508 524925616 /nfs/dbraw/zinc/92/56/16/524925616.db2.gz QGVKWPFQLOZSRO-CQSZACIVSA-N 1 2 364.467 1.866 20 70 FDIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)CCNC(=O)CC(C)C)CC1 ZINC000160607967 524927074 /nfs/dbraw/zinc/92/70/74/524927074.db2.gz CHZSBPQXPWAYQY-UHFFFAOYSA-N 1 2 350.463 1.488 20 70 FDIDLO CN(C)c1ccc(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000160629693 524934165 /nfs/dbraw/zinc/93/41/65/524934165.db2.gz MMWQWMWACMCYEJ-SFHVURJKSA-N 1 2 367.490 1.829 20 70 FDIDLO O=C(Cc1ccccc1F)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160754235 524965392 /nfs/dbraw/zinc/96/53/92/524965392.db2.gz XKSRPDFDNYELGO-INIZCTEOSA-N 1 2 370.428 1.498 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000160885934 524991134 /nfs/dbraw/zinc/99/11/34/524991134.db2.gz WJJUPGXGBCCGQV-OAHLLOKOSA-N 1 2 371.503 1.801 20 70 FDIDLO COCCC1(CNC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000161139932 525040707 /nfs/dbraw/zinc/04/07/07/525040707.db2.gz DPBVPECYLPFINM-UHFFFAOYSA-N 1 2 373.461 1.012 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000161166655 525047887 /nfs/dbraw/zinc/04/78/87/525047887.db2.gz KAAUOFHNLLZNEC-UHFFFAOYSA-N 1 2 365.437 1.185 20 70 FDIDLO COc1cccc(CN(C)C(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161190892 525049413 /nfs/dbraw/zinc/04/94/13/525049413.db2.gz QBNGWBHWXLNUPT-UHFFFAOYSA-N 1 2 368.481 1.866 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N[C@H]1CCOc2ccccc21 ZINC000161194533 525052679 /nfs/dbraw/zinc/05/26/79/525052679.db2.gz ZGMRAVCXTMMJPY-IBGZPJMESA-N 1 2 366.465 1.839 20 70 FDIDLO O=C(c1cn(-c2ccc(C(F)(F)F)cn2)nn1)N1CC[NH+](C2CC2)CC1 ZINC000161428557 525106673 /nfs/dbraw/zinc/10/66/73/525106673.db2.gz XYTFJRYESGLMQD-UHFFFAOYSA-N 1 2 366.347 1.601 20 70 FDIDLO Cc1c(CNC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cnn1C ZINC000159399415 524661646 /nfs/dbraw/zinc/66/16/46/524661646.db2.gz ALVKDYLWXUPKII-GOSISDBHSA-N 1 2 357.458 1.601 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)C[C@@H]21 ZINC000159447655 524672601 /nfs/dbraw/zinc/67/26/01/524672601.db2.gz GCGJXQKPZHSQNJ-KFGODFMUSA-N 1 2 371.485 1.156 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)C[C@@H]21 ZINC000159447655 524672611 /nfs/dbraw/zinc/67/26/11/524672611.db2.gz GCGJXQKPZHSQNJ-KFGODFMUSA-N 1 2 371.485 1.156 20 70 FDIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000159457094 524673860 /nfs/dbraw/zinc/67/38/60/524673860.db2.gz MUZXUCPMQXRMQF-INIZCTEOSA-N 1 2 363.364 1.145 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159471469 524678693 /nfs/dbraw/zinc/67/86/93/524678693.db2.gz DQYLJGBHSAJCSV-HUUCEWRRSA-N 1 2 367.515 1.885 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000159471469 524678702 /nfs/dbraw/zinc/67/87/02/524678702.db2.gz DQYLJGBHSAJCSV-HUUCEWRRSA-N 1 2 367.515 1.885 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cccc(F)c1F ZINC000159480713 524680747 /nfs/dbraw/zinc/68/07/47/524680747.db2.gz QEBQUVGDBMJQIK-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO C[C@@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1)c1ccsc1 ZINC000159554888 524696008 /nfs/dbraw/zinc/69/60/08/524696008.db2.gz VLMQAEFMIWKURN-HUUCEWRRSA-N 1 2 365.499 1.243 20 70 FDIDLO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000159587448 524701553 /nfs/dbraw/zinc/70/15/53/524701553.db2.gz DHCJJLBWMXTDPD-AWEZNQCLSA-N 1 2 367.515 1.937 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cnn(C)c3)CC2)s1 ZINC000159584547 524702912 /nfs/dbraw/zinc/70/29/12/524702912.db2.gz YLWTZNTZZGRCLF-UHFFFAOYSA-N 1 2 354.501 1.551 20 70 FDIDLO C[N@@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000159724394 524727357 /nfs/dbraw/zinc/72/73/57/524727357.db2.gz YYBGXAFQSDJURL-UAGQMJEPSA-N 1 2 372.531 1.038 20 70 FDIDLO C[N@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[C@@H]1O ZINC000159724394 524727368 /nfs/dbraw/zinc/72/73/68/524727368.db2.gz YYBGXAFQSDJURL-UAGQMJEPSA-N 1 2 372.531 1.038 20 70 FDIDLO CC(C)(CNC(=O)Nc1ccnn1C[C@@H]1CCOC1)[NH+]1CCOCC1 ZINC000159722723 524727971 /nfs/dbraw/zinc/72/79/71/524727971.db2.gz MMXUNRKWBUJLMK-AWEZNQCLSA-N 1 2 351.451 1.152 20 70 FDIDLO Cn1c2cc(C(=O)Nc3ccccc3C[NH+]3CCOCC3)ccc2[nH]c1=O ZINC000159766419 524735107 /nfs/dbraw/zinc/73/51/07/524735107.db2.gz PGPKHRHOZHSOJL-UHFFFAOYSA-N 1 2 366.421 1.951 20 70 FDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159853268 524754027 /nfs/dbraw/zinc/75/40/27/524754027.db2.gz WGSVGEZYGFKLBF-INIZCTEOSA-N 1 2 352.523 1.471 20 70 FDIDLO O=C1[C@H]([N@@H+]2CCCN(c3cccnn3)CC2)CCCN1CC(F)(F)F ZINC000159881119 524759782 /nfs/dbraw/zinc/75/97/82/524759782.db2.gz APDCWBOMGKMCCZ-CYBMUJFWSA-N 1 2 357.380 1.542 20 70 FDIDLO O=C1[C@H]([N@H+]2CCCN(c3cccnn3)CC2)CCCN1CC(F)(F)F ZINC000159881119 524759793 /nfs/dbraw/zinc/75/97/93/524759793.db2.gz APDCWBOMGKMCCZ-CYBMUJFWSA-N 1 2 357.380 1.542 20 70 FDIDLO O=C(CC1CCCC1)NCCNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000159910043 524765673 /nfs/dbraw/zinc/76/56/73/524765673.db2.gz YENYHBNPVOCNKZ-UHFFFAOYSA-N 1 2 373.501 1.605 20 70 FDIDLO [NH3+]CCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000160164878 524822758 /nfs/dbraw/zinc/82/27/58/524822758.db2.gz SJNWUTSQOFTJEX-UHFFFAOYSA-N 1 2 353.469 1.556 20 70 FDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)NCCCC(=O)OC(C)C)C2)CC1 ZINC000160175886 524823938 /nfs/dbraw/zinc/82/39/38/524823938.db2.gz RZZVKPAGQXGNFU-MRXNPFEDSA-N 1 2 354.495 1.140 20 70 FDIDLO O=C(CN1CC[NH2+]CC1=O)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000160726737 524957591 /nfs/dbraw/zinc/95/75/91/524957591.db2.gz KJUNEXCEXZJJNV-SFHVURJKSA-N 1 2 355.413 1.658 20 70 FDIDLO C[C@H](CNC(=O)NCCc1cn2c([nH+]1)CCCC2)CC1(C)OCCO1 ZINC000160735732 524961021 /nfs/dbraw/zinc/96/10/21/524961021.db2.gz NRHDLYJMNSGVLY-AWEZNQCLSA-N 1 2 350.463 1.850 20 70 FDIDLO CCN(CC)C(=O)CN1CCC[N@H+](CCCS(=O)(=O)C(C)C)CC1 ZINC000160789003 524969666 /nfs/dbraw/zinc/96/96/66/524969666.db2.gz BWJPDSHMQUTTAD-UHFFFAOYSA-N 1 2 361.552 1.076 20 70 FDIDLO CCN(CC)C(=O)CN1CCC[N@@H+](CCCS(=O)(=O)C(C)C)CC1 ZINC000160789003 524969679 /nfs/dbraw/zinc/96/96/79/524969679.db2.gz BWJPDSHMQUTTAD-UHFFFAOYSA-N 1 2 361.552 1.076 20 70 FDIDLO CCc1nn(C)c(CC)c1CNC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160960966 525003705 /nfs/dbraw/zinc/00/37/05/525003705.db2.gz URFWCBVSHAXSLB-UHFFFAOYSA-N 1 2 370.501 1.967 20 70 FDIDLO O=C1c2ccccc2C(=O)N1CC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000161140226 525042638 /nfs/dbraw/zinc/04/26/38/525042638.db2.gz RGUWBONBJXLEMN-UHFFFAOYSA-N 1 2 350.422 1.495 20 70 FDIDLO Cn1c(=O)cccc1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000161221612 525058171 /nfs/dbraw/zinc/05/81/71/525058171.db2.gz QXHKIHWUBWFXEP-UHFFFAOYSA-N 1 2 371.437 1.026 20 70 FDIDLO CSc1nc(C)c(CCC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000161344259 525085455 /nfs/dbraw/zinc/08/54/55/525085455.db2.gz GFLXNOQMEKIWDB-CYBMUJFWSA-N 1 2 373.482 1.523 20 70 FDIDLO C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000161378331 525096631 /nfs/dbraw/zinc/09/66/31/525096631.db2.gz VMVFNRBTXUUALH-IAGOWNOFSA-N 1 2 373.501 1.808 20 70 FDIDLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161402036 525100492 /nfs/dbraw/zinc/10/04/92/525100492.db2.gz CLLLSPWXGBDTMB-JKSUJKDBSA-N 1 2 373.501 1.037 20 70 FDIDLO CC(C)C(=O)NCCCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000161435812 525108243 /nfs/dbraw/zinc/10/82/43/525108243.db2.gz GATINRRRDKKUCI-UHFFFAOYSA-N 1 2 362.474 1.803 20 70 FDIDLO O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161437501 525108984 /nfs/dbraw/zinc/10/89/84/525108984.db2.gz FNYWTEJKUMAPBX-NWDGAFQWSA-N 1 2 351.353 1.280 20 70 FDIDLO CCn1nc(C)cc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000161454341 525112887 /nfs/dbraw/zinc/11/28/87/525112887.db2.gz FKFLSCLGCULAKQ-UHFFFAOYSA-N 1 2 372.469 1.852 20 70 FDIDLO Cc1cccc(C[NH+]2CCN(C(=O)C(=O)Nc3ccc(C)nc3)CC2)c1 ZINC000160428755 173711402 /nfs/dbraw/zinc/71/14/02/173711402.db2.gz WJNWITMKARJRET-UHFFFAOYSA-N 1 2 352.438 1.981 20 70 FDIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159410685 524663265 /nfs/dbraw/zinc/66/32/65/524663265.db2.gz BDCYVQMDWACANA-HRAATJIYSA-N 1 2 368.481 1.941 20 70 FDIDLO C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC000159410685 524663273 /nfs/dbraw/zinc/66/32/73/524663273.db2.gz BDCYVQMDWACANA-HRAATJIYSA-N 1 2 368.481 1.941 20 70 FDIDLO COc1ccsc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159473916 524677995 /nfs/dbraw/zinc/67/79/95/524677995.db2.gz JVOSGTWNDIKLGQ-UHFFFAOYSA-N 1 2 362.517 1.736 20 70 FDIDLO CC(=O)c1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159469670 524678443 /nfs/dbraw/zinc/67/84/43/524678443.db2.gz DBKOLXDPJZIMCJ-UHFFFAOYSA-N 1 2 368.499 1.868 20 70 FDIDLO O=C(CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)NC1CCCCC1 ZINC000159489074 524683498 /nfs/dbraw/zinc/68/34/98/524683498.db2.gz YEVXNLYAMYNFMI-UHFFFAOYSA-N 1 2 373.501 1.748 20 70 FDIDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)c1cccs1 ZINC000159553855 524694775 /nfs/dbraw/zinc/69/47/75/524694775.db2.gz PSLMITRVMSOXMA-CABCVRRESA-N 1 2 365.499 1.243 20 70 FDIDLO NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000159555282 524695792 /nfs/dbraw/zinc/69/57/92/524695792.db2.gz HDDCNRWFSHHMNX-UHFFFAOYSA-N 1 2 355.398 1.356 20 70 FDIDLO COC[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000159577574 524699016 /nfs/dbraw/zinc/69/90/16/524699016.db2.gz IZYZSNFUNMAWBX-MRXNPFEDSA-N 1 2 362.474 1.298 20 70 FDIDLO CCC[C@@H]1C(=O)NCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159621228 524710815 /nfs/dbraw/zinc/71/08/15/524710815.db2.gz PRVKQAQGSMMQMG-QGZVFWFLSA-N 1 2 360.458 1.651 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000159673057 524719973 /nfs/dbraw/zinc/71/99/73/524719973.db2.gz PXKGCFVZOCYAPQ-UONOGXRCSA-N 1 2 372.252 1.265 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000159673057 524719984 /nfs/dbraw/zinc/71/99/84/524719984.db2.gz PXKGCFVZOCYAPQ-UONOGXRCSA-N 1 2 372.252 1.265 20 70 FDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159802000 524740082 /nfs/dbraw/zinc/74/00/82/524740082.db2.gz XOWNJVALDPZWSR-CYBMUJFWSA-N 1 2 356.369 1.768 20 70 FDIDLO COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159802000 524740092 /nfs/dbraw/zinc/74/00/92/524740092.db2.gz XOWNJVALDPZWSR-CYBMUJFWSA-N 1 2 356.369 1.768 20 70 FDIDLO C[C@@]1(O)CCCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000160092457 524807790 /nfs/dbraw/zinc/80/77/90/524807790.db2.gz NLGULBBYLNCGSW-HXUWFJFHSA-N 1 2 374.485 1.646 20 70 FDIDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000160231916 524836563 /nfs/dbraw/zinc/83/65/63/524836563.db2.gz JLYVKPWUPWSVAT-UHFFFAOYSA-N 1 2 360.433 1.994 20 70 FDIDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000160231916 524836573 /nfs/dbraw/zinc/83/65/73/524836573.db2.gz JLYVKPWUPWSVAT-UHFFFAOYSA-N 1 2 360.433 1.994 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160273888 524845858 /nfs/dbraw/zinc/84/58/58/524845858.db2.gz MVAYNXWCDQIGTF-HUUCEWRRSA-N 1 2 365.424 1.739 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160273888 524845868 /nfs/dbraw/zinc/84/58/68/524845868.db2.gz MVAYNXWCDQIGTF-HUUCEWRRSA-N 1 2 365.424 1.739 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000160356428 524866134 /nfs/dbraw/zinc/86/61/34/524866134.db2.gz LXLRHNBAPDHLKR-HIFRSBDPSA-N 1 2 360.458 1.860 20 70 FDIDLO NC(=O)c1ccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)cc1 ZINC000160411017 524882220 /nfs/dbraw/zinc/88/22/20/524882220.db2.gz JYMPJUUZPMJJOK-MRXNPFEDSA-N 1 2 353.426 1.649 20 70 FDIDLO C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)NCCCn1cc[nH+]c1 ZINC000160577889 524920831 /nfs/dbraw/zinc/92/08/31/524920831.db2.gz IQWVJGXWRGJVKR-CQSZACIVSA-N 1 2 354.414 1.371 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N3CCCCCC3)CC2)n1 ZINC000160594307 524923985 /nfs/dbraw/zinc/92/39/85/524923985.db2.gz RTMOBVYRRZARTF-UHFFFAOYSA-N 1 2 361.490 1.265 20 70 FDIDLO C[N@@H+]1CC[C@H](NC(=O)NCCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160699908 524951511 /nfs/dbraw/zinc/95/15/11/524951511.db2.gz KNKZUURSWVBBMR-IRXDYDNUSA-N 1 2 368.428 1.341 20 70 FDIDLO C[N@H+]1CC[C@H](NC(=O)NCCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160699908 524951526 /nfs/dbraw/zinc/95/15/26/524951526.db2.gz KNKZUURSWVBBMR-IRXDYDNUSA-N 1 2 368.428 1.341 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N3CCCC[C@@H]3C)CC2)n1 ZINC000160741192 524961491 /nfs/dbraw/zinc/96/14/91/524961491.db2.gz VDHSXAFMAAMCLG-HNNXBMFYSA-N 1 2 361.490 1.263 20 70 FDIDLO COc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c(C)c1C ZINC000160821420 524976158 /nfs/dbraw/zinc/97/61/58/524976158.db2.gz FEBIBVLWERNXPI-UHFFFAOYSA-N 1 2 356.488 1.389 20 70 FDIDLO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)CCO1 ZINC000160923717 524998274 /nfs/dbraw/zinc/99/82/74/524998274.db2.gz BWFPSSHIFVYUTH-GFCCVEGCSA-N 1 2 372.512 1.477 20 70 FDIDLO C[C@@H]1C[N@H+](C2CCN(C(=O)c3csc(S(C)(=O)=O)c3)CC2)CCO1 ZINC000160923717 524998287 /nfs/dbraw/zinc/99/82/87/524998287.db2.gz BWFPSSHIFVYUTH-GFCCVEGCSA-N 1 2 372.512 1.477 20 70 FDIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160974685 525008779 /nfs/dbraw/zinc/00/87/79/525008779.db2.gz MDADMQQGJRWIAL-KSZLIROESA-N 1 2 356.470 1.866 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)CCN3CCCC3=O)c2c1 ZINC000161092852 525031392 /nfs/dbraw/zinc/03/13/92/525031392.db2.gz PXIZRPOEPWNJEA-UHFFFAOYSA-N 1 2 357.410 1.691 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+](C)CCN3CCCC3=O)c2c1 ZINC000161092852 525031399 /nfs/dbraw/zinc/03/13/99/525031399.db2.gz PXIZRPOEPWNJEA-UHFFFAOYSA-N 1 2 357.410 1.691 20 70 FDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000161356147 525089894 /nfs/dbraw/zinc/08/98/94/525089894.db2.gz RZBMOYRNZQLDEP-LBPRGKRZSA-N 1 2 369.816 1.719 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(C[C@@H](O)CN3CCOCC3)CC2)s1 ZINC000161426778 525106865 /nfs/dbraw/zinc/10/68/65/525106865.db2.gz HKISQYSEXFHEDT-MRXNPFEDSA-N 1 2 353.532 1.121 20 70 FDIDLO CCCn1c(C)nnc1C[N@@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000161442964 525110467 /nfs/dbraw/zinc/11/04/67/525110467.db2.gz HMMJZZDYJFPWAK-UHFFFAOYSA-N 1 2 359.478 1.898 20 70 FDIDLO CCCn1c(C)nnc1C[N@H+]1CCCN(c2nccc(OCC)n2)CC1 ZINC000161442964 525110476 /nfs/dbraw/zinc/11/04/76/525110476.db2.gz HMMJZZDYJFPWAK-UHFFFAOYSA-N 1 2 359.478 1.898 20 70 FDIDLO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000159444725 524671605 /nfs/dbraw/zinc/67/16/05/524671605.db2.gz LVPMGFVPKXXDMZ-MRVPVSSYSA-N 1 2 361.229 1.837 20 70 FDIDLO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(N)=O ZINC000159444725 524671616 /nfs/dbraw/zinc/67/16/16/524671616.db2.gz LVPMGFVPKXXDMZ-MRVPVSSYSA-N 1 2 361.229 1.837 20 70 FDIDLO COC(=O)C1([N@H+](C)CC(=O)NCCOc2cccc(F)c2)CCCC1 ZINC000159481576 524681366 /nfs/dbraw/zinc/68/13/66/524681366.db2.gz HMCXLBIYYVCJAA-UHFFFAOYSA-N 1 2 352.406 1.738 20 70 FDIDLO COC(=O)C1([N@@H+](C)CC(=O)NCCOc2cccc(F)c2)CCCC1 ZINC000159481576 524681377 /nfs/dbraw/zinc/68/13/77/524681377.db2.gz HMCXLBIYYVCJAA-UHFFFAOYSA-N 1 2 352.406 1.738 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2cnc3ccccn23)CC1 ZINC000159556538 524695238 /nfs/dbraw/zinc/69/52/38/524695238.db2.gz AFSQCUUMGMJLNR-UHFFFAOYSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC000159556538 524695249 /nfs/dbraw/zinc/69/52/49/524695249.db2.gz AFSQCUUMGMJLNR-UHFFFAOYSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)CN(C)Cc2c[nH+]c3ccccn23)CC1 ZINC000159556538 524695257 /nfs/dbraw/zinc/69/52/57/524695257.db2.gz AFSQCUUMGMJLNR-UHFFFAOYSA-N 1 2 358.442 1.568 20 70 FDIDLO Cc1nc(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)sc1SCC(N)=O ZINC000159682226 524721670 /nfs/dbraw/zinc/72/16/70/524721670.db2.gz LJOCBTUTAIJDQR-SECBINFHSA-N 1 2 351.457 1.427 20 70 FDIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncc(S(N)(=O)=O)s1 ZINC000159726438 524727014 /nfs/dbraw/zinc/72/70/14/524727014.db2.gz DSRXYRMUARILNJ-UHFFFAOYSA-N 1 2 363.468 1.672 20 70 FDIDLO c1cn(CCSc2nnc(N3CCOCC3)n2C[C@H]2CCCO2)c[nH+]1 ZINC000159754085 524732640 /nfs/dbraw/zinc/73/26/40/524732640.db2.gz ISTZUBGATRLAMH-CQSZACIVSA-N 1 2 364.475 1.283 20 70 FDIDLO C[C@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000159837713 524748248 /nfs/dbraw/zinc/74/82/48/524748248.db2.gz ODCUMNDXNXVEQG-CYBMUJFWSA-N 1 2 366.535 1.169 20 70 FDIDLO CCn1cc(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000159912007 524765779 /nfs/dbraw/zinc/76/57/79/524765779.db2.gz CYSVDCRCJPQUNC-HNNXBMFYSA-N 1 2 370.453 1.623 20 70 FDIDLO CCn1cc(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000159912007 524765788 /nfs/dbraw/zinc/76/57/88/524765788.db2.gz CYSVDCRCJPQUNC-HNNXBMFYSA-N 1 2 370.453 1.623 20 70 FDIDLO C[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1)CC1(C)OCCO1 ZINC000160176722 524824886 /nfs/dbraw/zinc/82/48/86/524824886.db2.gz BIDAAXJLDQQUBC-AWEZNQCLSA-N 1 2 359.430 1.856 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160274022 524845478 /nfs/dbraw/zinc/84/54/78/524845478.db2.gz MVAYNXWCDQIGTF-CABCVRRESA-N 1 2 365.424 1.739 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160274022 524845485 /nfs/dbraw/zinc/84/54/85/524845485.db2.gz MVAYNXWCDQIGTF-CABCVRRESA-N 1 2 365.424 1.739 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1CC ZINC000160336439 524860545 /nfs/dbraw/zinc/86/05/45/524860545.db2.gz VPMJFXBSAITRCI-SUMWQHHRSA-N 1 2 372.473 1.884 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1CC ZINC000160336674 524861392 /nfs/dbraw/zinc/86/13/92/524861392.db2.gz VPMJFXBSAITRCI-GUYCJALGSA-N 1 2 372.473 1.884 20 70 FDIDLO O=C(Nc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1)[C@@H]1CCCO1 ZINC000160459368 524893330 /nfs/dbraw/zinc/89/33/30/524893330.db2.gz IQGUCOJEDWHSKH-RDJZCZTQSA-N 1 2 368.437 1.879 20 70 FDIDLO COCc1nc2n(n1)C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)CC2 ZINC000160598775 524925978 /nfs/dbraw/zinc/92/59/78/524925978.db2.gz KZMIINJUURMGEF-CQSZACIVSA-N 1 2 373.461 1.326 20 70 FDIDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc3c(c2)ncn3C)nc[nH+]1 ZINC000160649168 524937877 /nfs/dbraw/zinc/93/78/77/524937877.db2.gz HUXRQGFKTIXUJN-CYBMUJFWSA-N 1 2 366.429 1.199 20 70 FDIDLO CNc1cc(N2CCC[C@@H]2CNC(=O)c2cnc3c(c2)ncn3C)[nH+]cn1 ZINC000160649168 524937885 /nfs/dbraw/zinc/93/78/85/524937885.db2.gz HUXRQGFKTIXUJN-CYBMUJFWSA-N 1 2 366.429 1.199 20 70 FDIDLO CCOCCCNC(=O)C1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000160833003 524978416 /nfs/dbraw/zinc/97/84/16/524978416.db2.gz IRIANBICXLZJPL-UHFFFAOYSA-N 1 2 350.463 1.499 20 70 FDIDLO CN(C[C@@H]1CCCO1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160874185 524989007 /nfs/dbraw/zinc/98/90/07/524989007.db2.gz FQXCZTSABFDNIG-INIZCTEOSA-N 1 2 360.458 1.148 20 70 FDIDLO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160952091 525002234 /nfs/dbraw/zinc/00/22/34/525002234.db2.gz SEPSVEJPGXSFPX-KURKYZTESA-N 1 2 356.470 1.866 20 70 FDIDLO O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160951990 525003243 /nfs/dbraw/zinc/00/32/43/525003243.db2.gz SEPSVEJPGXSFPX-BZSNNMDCSA-N 1 2 356.470 1.866 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCCCc1ccccc1 ZINC000161151505 525044348 /nfs/dbraw/zinc/04/43/48/525044348.db2.gz UHWDPOGZRXFZPD-UHFFFAOYSA-N 1 2 352.482 1.948 20 70 FDIDLO C[C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000161266211 525068890 /nfs/dbraw/zinc/06/88/90/525068890.db2.gz JLGFDMDPJPWBMM-YHUYYLMFSA-N 1 2 370.453 1.340 20 70 FDIDLO CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccnc1 ZINC000161315724 525078917 /nfs/dbraw/zinc/07/89/17/525078917.db2.gz ZQWPYAWLBBLMKM-MDZRGWNJSA-N 1 2 365.437 1.391 20 70 FDIDLO Cc1cc(C)c(Br)c(C(=O)NC[C@H]2C[NH+]3CCN2CC3)c1 ZINC000161315252 525079316 /nfs/dbraw/zinc/07/93/16/525079316.db2.gz CWZBHULCRMNNFS-ZDUSSCGKSA-N 1 2 352.276 1.796 20 70 FDIDLO O=C(CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)Nc1ccccc1 ZINC000160198319 173702699 /nfs/dbraw/zinc/70/26/99/173702699.db2.gz ZTGZVBCXTFFWJK-UHFFFAOYSA-N 1 2 367.453 1.938 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)N1CCO[C@H](c2cccs2)C1)[NH+]1CCOCC1 ZINC000161115757 173730759 /nfs/dbraw/zinc/73/07/59/173730759.db2.gz QZRXTRGPADLNLS-ZNMIVQPWSA-N 1 2 353.488 1.940 20 70 FDIDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000159479969 524681400 /nfs/dbraw/zinc/68/14/00/524681400.db2.gz XXQHXEFGHKEGJM-DZGCQCFKSA-N 1 2 370.519 1.165 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000159491904 524682415 /nfs/dbraw/zinc/68/24/15/524682415.db2.gz JBYRMESBXFDSLX-KRWDZBQOSA-N 1 2 370.457 1.664 20 70 FDIDLO O=C(NCCc1cn2ccccc2[nH+]1)Nc1ccnn1C[C@H]1CCOC1 ZINC000159496458 524685496 /nfs/dbraw/zinc/68/54/96/524685496.db2.gz BLRLZRIUHIRFKW-CQSZACIVSA-N 1 2 354.414 1.932 20 70 FDIDLO CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589177 524703608 /nfs/dbraw/zinc/70/36/08/524703608.db2.gz NWYUGIXSVDDNCX-YOEHRIQHSA-N 1 2 373.501 1.650 20 70 FDIDLO CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589177 524703620 /nfs/dbraw/zinc/70/36/20/524703620.db2.gz NWYUGIXSVDDNCX-YOEHRIQHSA-N 1 2 373.501 1.650 20 70 FDIDLO COc1cc[nH+]cc1NC(=O)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000159615155 524707880 /nfs/dbraw/zinc/70/78/80/524707880.db2.gz GGUGXMFUQTWLOL-UHFFFAOYSA-N 1 2 360.439 1.723 20 70 FDIDLO CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159621323 524709535 /nfs/dbraw/zinc/70/95/35/524709535.db2.gz PRVKQAQGSMMQMG-KRWDZBQOSA-N 1 2 360.458 1.651 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(F)cc1 ZINC000159753598 524732513 /nfs/dbraw/zinc/73/25/13/524732513.db2.gz HYACCUANSMGNRE-UHFFFAOYSA-N 1 2 372.400 1.621 20 70 FDIDLO Cc1c(NC(=O)C(=O)NCCn2cc[nH+]c2)cnn1-c1ccccc1F ZINC000160044515 524797063 /nfs/dbraw/zinc/79/70/63/524797063.db2.gz BGGIWNWUBXHFGJ-UHFFFAOYSA-N 1 2 356.361 1.271 20 70 FDIDLO Cc1c(CNC(=O)NCc2ccc(N3CCO[C@@H](C)C3)[nH+]c2)cnn1C ZINC000160168531 524823515 /nfs/dbraw/zinc/82/35/15/524823515.db2.gz GVWRIEDQECIGJA-ZDUSSCGKSA-N 1 2 358.446 1.348 20 70 FDIDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000160267124 524844934 /nfs/dbraw/zinc/84/49/34/524844934.db2.gz JUWHIDTYEHOKRW-QGZVFWFLSA-N 1 2 365.499 1.134 20 70 FDIDLO C[C@H](CNS(=O)(=O)Cc1cccc2cccnc21)C[NH+]1CCOCC1 ZINC000160384321 524873666 /nfs/dbraw/zinc/87/36/66/524873666.db2.gz LPKLMSKFMNCUHP-OAHLLOKOSA-N 1 2 363.483 1.623 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cccc(Cl)c1F)C[NH+]1CCOCC1 ZINC000160390725 524875808 /nfs/dbraw/zinc/87/58/08/524875808.db2.gz SCLPAXCCZUXEPN-NSHDSACASA-N 1 2 350.843 1.726 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000160412680 524881940 /nfs/dbraw/zinc/88/19/40/524881940.db2.gz QXNGYKGBGHFWEC-GFCCVEGCSA-N 1 2 366.405 1.952 20 70 FDIDLO Cc1ccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCOCC2)cc1 ZINC000160703279 524952059 /nfs/dbraw/zinc/95/20/59/524952059.db2.gz MQVAQYURCDNGHE-ICSRJNTNSA-N 1 2 361.486 1.925 20 70 FDIDLO C[C@H]1CCCN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000160790776 524970170 /nfs/dbraw/zinc/97/01/70/524970170.db2.gz QGYGXXIDYSMDFB-HNNXBMFYSA-N 1 2 353.488 1.487 20 70 FDIDLO CCOCCC1(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000160818271 524977595 /nfs/dbraw/zinc/97/75/95/524977595.db2.gz YBSRHQGCBKDOOV-UHFFFAOYSA-N 1 2 365.518 1.740 20 70 FDIDLO CCOCCC1(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CCC1 ZINC000160818271 524977605 /nfs/dbraw/zinc/97/76/05/524977605.db2.gz YBSRHQGCBKDOOV-UHFFFAOYSA-N 1 2 365.518 1.740 20 70 FDIDLO COc1c(C)cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1C ZINC000160829896 524979593 /nfs/dbraw/zinc/97/95/93/524979593.db2.gz HMTKDFCHOHCWOG-UHFFFAOYSA-N 1 2 356.488 1.389 20 70 FDIDLO COc1cccc(-c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)n[nH]2)c1 ZINC000160951917 525002863 /nfs/dbraw/zinc/00/28/63/525002863.db2.gz IZMPUAZZZRDMPE-HNNXBMFYSA-N 1 2 370.453 1.880 20 70 FDIDLO CCC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161093994 525032304 /nfs/dbraw/zinc/03/23/04/525032304.db2.gz VWBAWDRTLAEWBB-HNNXBMFYSA-N 1 2 371.503 1.462 20 70 FDIDLO CCC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000161093994 525032310 /nfs/dbraw/zinc/03/23/10/525032310.db2.gz VWBAWDRTLAEWBB-HNNXBMFYSA-N 1 2 371.503 1.462 20 70 FDIDLO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)[nH]n1 ZINC000161141561 525041489 /nfs/dbraw/zinc/04/14/89/525041489.db2.gz HOISIMFZHVJTLP-OAHLLOKOSA-N 1 2 355.486 1.827 20 70 FDIDLO Cc1cc(C[C@@H](C)NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)n[nH]1 ZINC000161141561 525041498 /nfs/dbraw/zinc/04/14/98/525041498.db2.gz HOISIMFZHVJTLP-OAHLLOKOSA-N 1 2 355.486 1.827 20 70 FDIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000161144886 525043994 /nfs/dbraw/zinc/04/39/94/525043994.db2.gz HNCBZLMWVZFNIQ-CYBMUJFWSA-N 1 2 362.455 1.578 20 70 FDIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000161144886 525044006 /nfs/dbraw/zinc/04/40/06/525044006.db2.gz HNCBZLMWVZFNIQ-CYBMUJFWSA-N 1 2 362.455 1.578 20 70 FDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000161377723 525096084 /nfs/dbraw/zinc/09/60/84/525096084.db2.gz DLSOJVOMWXZZCG-OAHLLOKOSA-N 1 2 351.410 1.620 20 70 FDIDLO O=C(NC[C@H]1COC2(CCCCC2)O1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161126196 258263558 /nfs/dbraw/zinc/26/35/58/258263558.db2.gz AMSLMLDNJFBUIC-SFHVURJKSA-N 1 2 374.485 1.985 20 70 FDIDLO O=C(C[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1)N(C1CC1)C1CCCC1 ZINC000159452340 524674541 /nfs/dbraw/zinc/67/45/41/524674541.db2.gz CPJCFVXKSJNYFA-UHFFFAOYSA-N 1 2 372.469 1.066 20 70 FDIDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159465891 524676030 /nfs/dbraw/zinc/67/60/30/524676030.db2.gz HQOXJKYWEHXGHX-FQEVSTJZSA-N 1 2 360.454 1.620 20 70 FDIDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159465891 524676038 /nfs/dbraw/zinc/67/60/38/524676038.db2.gz HQOXJKYWEHXGHX-FQEVSTJZSA-N 1 2 360.454 1.620 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000159474633 524679501 /nfs/dbraw/zinc/67/95/01/524679501.db2.gz GHFLZRISZAHLIU-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO COc1c(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)c(C)nn1C ZINC000159755026 524733571 /nfs/dbraw/zinc/73/35/71/524733571.db2.gz BRSXYIRYNWROMX-CYBMUJFWSA-N 1 2 367.247 1.816 20 70 FDIDLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159833138 524749772 /nfs/dbraw/zinc/74/97/72/524749772.db2.gz OLJJZJPWOKVOFR-ABAIWWIYSA-N 1 2 374.890 1.775 20 70 FDIDLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159833138 524749785 /nfs/dbraw/zinc/74/97/85/524749785.db2.gz OLJJZJPWOKVOFR-ABAIWWIYSA-N 1 2 374.890 1.775 20 70 FDIDLO C[C@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000159963103 524777998 /nfs/dbraw/zinc/77/79/98/524777998.db2.gz PENSYCIAGIROJY-NSHDSACASA-N 1 2 350.444 1.249 20 70 FDIDLO CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000160071972 524800648 /nfs/dbraw/zinc/80/06/48/524800648.db2.gz CFHRTYVLJGPAJD-OAGGEKHMSA-N 1 2 364.490 1.996 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000160131066 524816587 /nfs/dbraw/zinc/81/65/87/524816587.db2.gz WMRSVTZAHLVVKY-UHFFFAOYSA-N 1 2 356.426 1.828 20 70 FDIDLO CCC(CC)c1cc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)on1 ZINC000160269508 524845411 /nfs/dbraw/zinc/84/54/11/524845411.db2.gz VNLDXXRAHTVYSS-UHFFFAOYSA-N 1 2 350.463 1.814 20 70 FDIDLO CCC(CC)c1cc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)on1 ZINC000160269508 524845421 /nfs/dbraw/zinc/84/54/21/524845421.db2.gz VNLDXXRAHTVYSS-UHFFFAOYSA-N 1 2 350.463 1.814 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160274455 524847625 /nfs/dbraw/zinc/84/76/25/524847625.db2.gz QAYQYZPNUXZFRG-ZBFHGGJFSA-N 1 2 365.424 1.739 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160274455 524847635 /nfs/dbraw/zinc/84/76/35/524847635.db2.gz QAYQYZPNUXZFRG-ZBFHGGJFSA-N 1 2 365.424 1.739 20 70 FDIDLO CN(C[C@H]1CCCCO1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160374813 524871554 /nfs/dbraw/zinc/87/15/54/524871554.db2.gz MINOGGSNJLNPIA-QGZVFWFLSA-N 1 2 374.485 1.538 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000160596659 524926097 /nfs/dbraw/zinc/92/60/97/524926097.db2.gz JZFLIBLIEYPUHZ-YPMHNXCESA-N 1 2 353.385 1.052 20 70 FDIDLO C[C@@H]1CCCN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000160790653 524970478 /nfs/dbraw/zinc/97/04/78/524970478.db2.gz QGYGXXIDYSMDFB-OAHLLOKOSA-N 1 2 353.488 1.487 20 70 FDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000160838332 524981663 /nfs/dbraw/zinc/98/16/63/524981663.db2.gz LUMQUTVRJWMKMA-ZIAGYGMSSA-N 1 2 362.474 1.592 20 70 FDIDLO C[C@@H](NC(=O)NCCOc1ncccc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000161115187 525037766 /nfs/dbraw/zinc/03/77/66/525037766.db2.gz TWWIWRXQESSBJR-OLZOCXBDSA-N 1 2 356.854 1.522 20 70 FDIDLO Cn1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1=O ZINC000161137298 525040571 /nfs/dbraw/zinc/04/05/71/525040571.db2.gz JESSJSIFWPDZFK-MSOLQXFVSA-N 1 2 368.437 1.502 20 70 FDIDLO Cn1cccc(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1=O ZINC000161137298 525040581 /nfs/dbraw/zinc/04/05/81/525040581.db2.gz JESSJSIFWPDZFK-MSOLQXFVSA-N 1 2 368.437 1.502 20 70 FDIDLO CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161262559 525068101 /nfs/dbraw/zinc/06/81/01/525068101.db2.gz KHQVNOGZHBAKKQ-OCCSQVGLSA-N 1 2 362.455 1.231 20 70 FDIDLO CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCc1cn3ccccc3[nH+]1)CC2 ZINC000161301753 525076725 /nfs/dbraw/zinc/07/67/25/525076725.db2.gz GGTPHJFVEHBRME-HOTGVXAUSA-N 1 2 358.442 1.796 20 70 FDIDLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000161320692 525080458 /nfs/dbraw/zinc/08/04/58/525080458.db2.gz VTMMKKJLELZUQD-ZDUSSCGKSA-N 1 2 356.430 1.297 20 70 FDIDLO Cc1c(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)cnn1CC(C)C ZINC000161479002 525116407 /nfs/dbraw/zinc/11/64/07/525116407.db2.gz LYBNZRGWAWMPFY-GOSISDBHSA-N 1 2 366.531 1.785 20 70 FDIDLO CCC(=O)N1CC[C@H](C(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000161497504 525119466 /nfs/dbraw/zinc/11/94/66/525119466.db2.gz PIVUHWFDTKDDMO-AWEZNQCLSA-N 1 2 350.488 1.436 20 70 FDIDLO CCC(=O)N1CC[C@H](C(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000161497504 525119472 /nfs/dbraw/zinc/11/94/72/525119472.db2.gz PIVUHWFDTKDDMO-AWEZNQCLSA-N 1 2 350.488 1.436 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164730739 720484288 /nfs/dbraw/zinc/48/42/88/720484288.db2.gz VEEGTRSZUUXCLR-CVEARBPZSA-N 1 2 362.430 1.988 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164730739 720484297 /nfs/dbraw/zinc/48/42/97/720484297.db2.gz VEEGTRSZUUXCLR-CVEARBPZSA-N 1 2 362.430 1.988 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164730748 720485021 /nfs/dbraw/zinc/48/50/21/720485021.db2.gz VEEGTRSZUUXCLR-HZPDHXFCSA-N 1 2 362.430 1.988 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164730748 720485023 /nfs/dbraw/zinc/48/50/23/720485023.db2.gz VEEGTRSZUUXCLR-HZPDHXFCSA-N 1 2 362.430 1.988 20 70 FDIDLO CCCNC(=O)NC(=O)CN1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000159493682 524685650 /nfs/dbraw/zinc/68/56/50/524685650.db2.gz JAQDEUMLIIAFLV-CQSZACIVSA-N 1 2 350.438 1.740 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000159761366 524735310 /nfs/dbraw/zinc/73/53/10/524735310.db2.gz AVZKSADRJDGFAR-HIFRSBDPSA-N 1 2 360.458 1.860 20 70 FDIDLO Cn1cc(CN2CCC[N@@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)cn1 ZINC000159960307 524777087 /nfs/dbraw/zinc/77/70/87/524777087.db2.gz XIYKLNHEFJKJDU-OAHLLOKOSA-N 1 2 373.423 1.481 20 70 FDIDLO Cn1cc(CN2CCC[N@H+]([C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)cn1 ZINC000159960307 524777096 /nfs/dbraw/zinc/77/70/96/524777096.db2.gz XIYKLNHEFJKJDU-OAHLLOKOSA-N 1 2 373.423 1.481 20 70 FDIDLO Cc1cccc([C@@H](CNC(=O)c2nc(C)c(C)[nH]c2=O)[NH+]2CCOCC2)c1 ZINC000160027406 524791062 /nfs/dbraw/zinc/79/10/62/524791062.db2.gz ACFPRYVGUDNSNV-QGZVFWFLSA-N 1 2 370.453 1.498 20 70 FDIDLO COCCCS(=O)(=O)N1CC[NH+](Cc2ccccc2N(C)C)CC1 ZINC000160030588 524792789 /nfs/dbraw/zinc/79/27/89/524792789.db2.gz MKOMRPOOJGBGNX-UHFFFAOYSA-N 1 2 355.504 1.237 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000160058591 524798462 /nfs/dbraw/zinc/79/84/62/524798462.db2.gz YLXCQNPRXZXWPL-UHFFFAOYSA-N 1 2 357.414 1.796 20 70 FDIDLO C[C@@H]1CN(c2ccc(CNC(=O)N3CCC[C@@](C)(O)C3)c[nH+]2)C[C@H](C)O1 ZINC000160223460 524835216 /nfs/dbraw/zinc/83/52/16/524835216.db2.gz HMSUSMKPLVQLIG-ZRGWGRIASA-N 1 2 362.474 1.752 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160270150 524844638 /nfs/dbraw/zinc/84/46/38/524844638.db2.gz PMSWURRHSNVQET-CABCVRRESA-N 1 2 365.424 1.691 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160270150 524844652 /nfs/dbraw/zinc/84/46/52/524844652.db2.gz PMSWURRHSNVQET-CABCVRRESA-N 1 2 365.424 1.691 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000160315966 524855224 /nfs/dbraw/zinc/85/52/24/524855224.db2.gz CHCAVMKMLWGRMS-XHSDSOJGSA-N 1 2 351.447 1.598 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N(C)Cc1cc(Br)cn1C ZINC000160314211 524855738 /nfs/dbraw/zinc/85/57/38/524855738.db2.gz SYGVEESAKBCMIF-LBPRGKRZSA-N 1 2 373.295 1.650 20 70 FDIDLO O=C(CCN1C(=O)CCc2ccccc21)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160400819 524878757 /nfs/dbraw/zinc/87/87/57/524878757.db2.gz GFMOCLKTRNOSCX-QGZVFWFLSA-N 1 2 357.454 1.335 20 70 FDIDLO O=C(CCN1C(=O)CCc2ccccc21)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160400819 524878769 /nfs/dbraw/zinc/87/87/69/524878769.db2.gz GFMOCLKTRNOSCX-QGZVFWFLSA-N 1 2 357.454 1.335 20 70 FDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1cccc(Nc2cnccn2)c1 ZINC000160436185 524889221 /nfs/dbraw/zinc/88/92/21/524889221.db2.gz NNOMKJWMFVUOET-QGZVFWFLSA-N 1 2 353.426 1.813 20 70 FDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1cccc(Nc2cnccn2)c1 ZINC000160436185 524889230 /nfs/dbraw/zinc/88/92/30/524889230.db2.gz NNOMKJWMFVUOET-QGZVFWFLSA-N 1 2 353.426 1.813 20 70 FDIDLO CCc1cc(=O)[nH]c(C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000160556653 524914615 /nfs/dbraw/zinc/91/46/15/524914615.db2.gz ODXUDMBEBIBSTG-NSHDSACASA-N 1 2 350.444 1.585 20 70 FDIDLO CCc1cc(=O)[nH]c(C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 ZINC000160556653 524914626 /nfs/dbraw/zinc/91/46/26/524914626.db2.gz ODXUDMBEBIBSTG-NSHDSACASA-N 1 2 350.444 1.585 20 70 FDIDLO COc1ccc(Br)cc1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000160596797 524925441 /nfs/dbraw/zinc/92/54/41/524925441.db2.gz IFWDQITWSSMEKY-NSHDSACASA-N 1 2 357.248 1.908 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000160596752 524926173 /nfs/dbraw/zinc/92/61/73/524926173.db2.gz JZFLIBLIEYPUHZ-WCQYABFASA-N 1 2 353.385 1.052 20 70 FDIDLO Cc1nc(Cl)ccc1C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000160627615 524934019 /nfs/dbraw/zinc/93/40/19/524934019.db2.gz DWKUHNUNNYFCSH-INIZCTEOSA-N 1 2 355.891 1.981 20 70 FDIDLO O=C(C[N@@H+]1CCC2(C1)OCCO2)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000160636544 524935472 /nfs/dbraw/zinc/93/54/72/524935472.db2.gz NCXULTFRZIZXCB-MRXNPFEDSA-N 1 2 350.390 1.174 20 70 FDIDLO O=C(C[N@H+]1CCC2(C1)OCCO2)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000160636544 524935479 /nfs/dbraw/zinc/93/54/79/524935479.db2.gz NCXULTFRZIZXCB-MRXNPFEDSA-N 1 2 350.390 1.174 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000160651404 524938212 /nfs/dbraw/zinc/93/82/12/524938212.db2.gz CTGHUQNEVBGBCP-QLFBSQMISA-N 1 2 351.834 1.888 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)N[C@@H]3CCOc4c(Cl)cccc43)C[C@@H]21 ZINC000160651404 524938224 /nfs/dbraw/zinc/93/82/24/524938224.db2.gz CTGHUQNEVBGBCP-QLFBSQMISA-N 1 2 351.834 1.888 20 70 FDIDLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1c(F)cc(F)cc1F ZINC000160992321 525009925 /nfs/dbraw/zinc/00/99/25/525009925.db2.gz YYSBDVPHXVORIM-UHFFFAOYSA-N 1 2 365.359 1.446 20 70 FDIDLO COC(=O)c1csc(NC(=O)N2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000161010343 525016438 /nfs/dbraw/zinc/01/64/38/525016438.db2.gz FZUBBNLHPKDWRE-UHFFFAOYSA-N 1 2 363.443 1.618 20 70 FDIDLO COc1cccc(CNC(=O)C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161297990 525074549 /nfs/dbraw/zinc/07/45/49/525074549.db2.gz ADLUESKKRWTTAV-INIZCTEOSA-N 1 2 360.376 1.947 20 70 FDIDLO O=C(CN1CC[NH2+]CC1=O)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161322445 525081137 /nfs/dbraw/zinc/08/11/37/525081137.db2.gz JYXPIDLRYAIZRK-UHFFFAOYSA-N 1 2 355.360 1.633 20 70 FDIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161329570 525082959 /nfs/dbraw/zinc/08/29/59/525082959.db2.gz DJUWCYPQSGXTIW-MRXNPFEDSA-N 1 2 355.438 1.686 20 70 FDIDLO CC1(C)CN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CCS1(=O)=O ZINC000159936189 173693237 /nfs/dbraw/zinc/69/32/37/173693237.db2.gz QKTOAMPJEAJZSV-VMPITWQZSA-N 1 2 359.451 1.921 20 70 FDIDLO C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC000159449502 524671270 /nfs/dbraw/zinc/67/12/70/524671270.db2.gz BJUIOGDTCFPLGI-HNNXBMFYSA-N 1 2 374.485 1.312 20 70 FDIDLO Cc1ccc(OC[C@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 ZINC000159585126 524700966 /nfs/dbraw/zinc/70/09/66/524700966.db2.gz HXCHRNSNVIGKPO-MOPGFXCFSA-N 1 2 354.450 1.955 20 70 FDIDLO Cc1ccc(OC[C@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 ZINC000159585126 524700973 /nfs/dbraw/zinc/70/09/73/524700973.db2.gz HXCHRNSNVIGKPO-MOPGFXCFSA-N 1 2 354.450 1.955 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC000159652538 524715281 /nfs/dbraw/zinc/71/52/81/524715281.db2.gz ICTWQMYPMCXWPB-IRXDYDNUSA-N 1 2 359.470 1.255 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@@H]21 ZINC000159652538 524715294 /nfs/dbraw/zinc/71/52/94/524715294.db2.gz ICTWQMYPMCXWPB-IRXDYDNUSA-N 1 2 359.470 1.255 20 70 FDIDLO CC(C)CN(CC(N)=O)C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000159688108 524720833 /nfs/dbraw/zinc/72/08/33/524720833.db2.gz CDMVOFRFYIWLAG-UHFFFAOYSA-N 1 2 371.441 1.495 20 70 FDIDLO CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)co1 ZINC000159691444 524721238 /nfs/dbraw/zinc/72/12/38/524721238.db2.gz OLSHHVIVLULJIB-GFCCVEGCSA-N 1 2 366.443 1.016 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@@H]21 ZINC000159683967 524722073 /nfs/dbraw/zinc/72/20/73/524722073.db2.gz SXYMBLHTRMTODJ-ROUUACIJSA-N 1 2 372.469 1.472 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@@H]21 ZINC000159683967 524722076 /nfs/dbraw/zinc/72/20/76/524722076.db2.gz SXYMBLHTRMTODJ-ROUUACIJSA-N 1 2 372.469 1.472 20 70 FDIDLO CCCCn1ncc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)c1C ZINC000159762007 524734915 /nfs/dbraw/zinc/73/49/15/524734915.db2.gz PKHKURGIFKUZLO-HNNXBMFYSA-N 1 2 353.467 1.148 20 70 FDIDLO Cn1c2nnc(CSCC[NH+]3CCOCC3)n2c2ccsc2c1=O ZINC000159816282 524744954 /nfs/dbraw/zinc/74/49/54/524744954.db2.gz XHAACEOIUHXEOQ-UHFFFAOYSA-N 1 2 365.484 1.208 20 70 FDIDLO Cc1c(CNC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cnn1C ZINC000160165527 524823098 /nfs/dbraw/zinc/82/30/98/524823098.db2.gz DYXVNCHMHXTGOA-KBPBESRZSA-N 1 2 372.473 1.737 20 70 FDIDLO CCN1CC[NH+]([C@H]2CCN(C(=O)NCCCC(=O)OC(C)C)C2)CC1 ZINC000160175997 524825060 /nfs/dbraw/zinc/82/50/60/524825060.db2.gz RZZVKPAGQXGNFU-INIZCTEOSA-N 1 2 354.495 1.140 20 70 FDIDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCOCC2)c1 ZINC000160280699 524848059 /nfs/dbraw/zinc/84/80/59/524848059.db2.gz RWUVMEKOCPBHCZ-ICSRJNTNSA-N 1 2 361.486 1.925 20 70 FDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCCN(CC(F)F)CC1 ZINC000160453489 524893354 /nfs/dbraw/zinc/89/33/54/524893354.db2.gz BMKYOWAPCRQHGQ-UHFFFAOYSA-N 1 2 355.433 1.744 20 70 FDIDLO C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160594871 524925470 /nfs/dbraw/zinc/92/54/70/524925470.db2.gz WLCLDXOBFVBSKA-KRWDZBQOSA-N 1 2 368.481 1.999 20 70 FDIDLO Cc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1-n1cnnn1 ZINC000160639966 524935617 /nfs/dbraw/zinc/93/56/17/524935617.db2.gz UDGKMBQYIVKGTP-OAHLLOKOSA-N 1 2 364.413 1.766 20 70 FDIDLO COC(C[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)OC ZINC000160776931 524968708 /nfs/dbraw/zinc/96/87/08/524968708.db2.gz YEXAAQKXVRHRKH-UHFFFAOYSA-N 1 2 368.908 1.717 20 70 FDIDLO COC(C[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)OC ZINC000160776931 524968717 /nfs/dbraw/zinc/96/87/17/524968717.db2.gz YEXAAQKXVRHRKH-UHFFFAOYSA-N 1 2 368.908 1.717 20 70 FDIDLO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161078187 525028357 /nfs/dbraw/zinc/02/83/57/525028357.db2.gz QYPGFTXOKDQHLZ-INIZCTEOSA-N 1 2 355.438 1.686 20 70 FDIDLO COc1ccc(OC)c(NC(=O)CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161145148 525044226 /nfs/dbraw/zinc/04/42/26/525044226.db2.gz LTJRVWVAXDHILD-UHFFFAOYSA-N 1 2 370.453 1.855 20 70 FDIDLO O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161159389 525046117 /nfs/dbraw/zinc/04/61/17/525046117.db2.gz JQAUTVZPQUOJCU-CYBMUJFWSA-N 1 2 374.391 1.708 20 70 FDIDLO Cc1nc(CC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c(C)s1 ZINC000161247598 525064691 /nfs/dbraw/zinc/06/46/91/525064691.db2.gz NOMGUPLVYHFWAZ-INIZCTEOSA-N 1 2 355.529 1.627 20 70 FDIDLO C[C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000161266098 525068347 /nfs/dbraw/zinc/06/83/47/525068347.db2.gz JLGFDMDPJPWBMM-FPCVCCKLSA-N 1 2 370.453 1.340 20 70 FDIDLO CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218083368 537458781 /nfs/dbraw/zinc/45/87/81/537458781.db2.gz DUZWGVBTIHAWMB-HNNXBMFYSA-N 1 2 374.466 1.341 20 70 FDIDLO CSC1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCOCC1 ZINC000160405835 173710716 /nfs/dbraw/zinc/71/07/16/173710716.db2.gz JMXGMOMWCANWTB-UHFFFAOYSA-N 1 2 364.515 1.821 20 70 FDIDLO CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159422612 524665385 /nfs/dbraw/zinc/66/53/85/524665385.db2.gz HRZFQSHJBXLFHQ-UHFFFAOYSA-N 1 2 351.495 1.894 20 70 FDIDLO CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000159422612 524665391 /nfs/dbraw/zinc/66/53/91/524665391.db2.gz HRZFQSHJBXLFHQ-UHFFFAOYSA-N 1 2 351.495 1.894 20 70 FDIDLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c(C)c1 ZINC000159440402 524670397 /nfs/dbraw/zinc/67/03/97/524670397.db2.gz JNTJDWDJERCKSN-UHFFFAOYSA-N 1 2 370.515 1.983 20 70 FDIDLO CCc1ccc(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000159524440 524689886 /nfs/dbraw/zinc/68/98/86/524689886.db2.gz UJDCCLPADOMMPI-UHFFFAOYSA-N 1 2 364.453 1.817 20 70 FDIDLO CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589024 524704718 /nfs/dbraw/zinc/70/47/18/524704718.db2.gz NWYUGIXSVDDNCX-PBHICJAKSA-N 1 2 373.501 1.650 20 70 FDIDLO CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589024 524704726 /nfs/dbraw/zinc/70/47/26/524704726.db2.gz NWYUGIXSVDDNCX-PBHICJAKSA-N 1 2 373.501 1.650 20 70 FDIDLO COCCOC[C@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159738246 524728420 /nfs/dbraw/zinc/72/84/20/524728420.db2.gz IZMWVTDVHVULPC-WFASDCNBSA-N 1 2 371.275 1.960 20 70 FDIDLO COCCOC[C@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159738246 524728433 /nfs/dbraw/zinc/72/84/33/524728433.db2.gz IZMWVTDVHVULPC-WFASDCNBSA-N 1 2 371.275 1.960 20 70 FDIDLO CCOc1ccccc1OCc1nnc(SCCn2cc[nH+]c2)n1N ZINC000159746163 524730980 /nfs/dbraw/zinc/73/09/80/524730980.db2.gz UAVWNYOAGCSKEX-UHFFFAOYSA-N 1 2 360.443 1.958 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[NH+]1CCOCC1 ZINC000159954981 524775951 /nfs/dbraw/zinc/77/59/51/524775951.db2.gz LNSDXDFZXWNINA-UONOGXRCSA-N 1 2 362.474 1.680 20 70 FDIDLO CC(C)NC(=O)c1ccc(C(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160073112 524803240 /nfs/dbraw/zinc/80/32/40/524803240.db2.gz DJEPJFMUIOZUQP-UHFFFAOYSA-N 1 2 374.485 1.061 20 70 FDIDLO CC(C)NC(=O)c1ccc(C(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)cc1 ZINC000160073112 524803242 /nfs/dbraw/zinc/80/32/42/524803242.db2.gz DJEPJFMUIOZUQP-UHFFFAOYSA-N 1 2 374.485 1.061 20 70 FDIDLO CN(C)C(=O)COc1cccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000160101431 524810375 /nfs/dbraw/zinc/81/03/75/524810375.db2.gz QFXXMFCATUYBTN-HNNXBMFYSA-N 1 2 356.426 1.229 20 70 FDIDLO CCOC(=O)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160186459 524826179 /nfs/dbraw/zinc/82/61/79/524826179.db2.gz FVYZJQLNUYJRFD-OAHLLOKOSA-N 1 2 354.472 1.548 20 70 FDIDLO CCOC(=O)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC000160186459 524826184 /nfs/dbraw/zinc/82/61/84/524826184.db2.gz FVYZJQLNUYJRFD-OAHLLOKOSA-N 1 2 354.472 1.548 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1CC ZINC000160336558 524860945 /nfs/dbraw/zinc/86/09/45/524860945.db2.gz VPMJFXBSAITRCI-CXAGYDPISA-N 1 2 372.473 1.884 20 70 FDIDLO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387154 524876316 /nfs/dbraw/zinc/87/63/16/524876316.db2.gz KTKIGIYCUKBGCK-QUCCMNQESA-N 1 2 373.497 1.869 20 70 FDIDLO CC(C)CC(=O)N[C@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387154 524876326 /nfs/dbraw/zinc/87/63/26/524876326.db2.gz KTKIGIYCUKBGCK-QUCCMNQESA-N 1 2 373.497 1.869 20 70 FDIDLO CC(C)(C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc2c(c1)OCCO2 ZINC000160403804 524880458 /nfs/dbraw/zinc/88/04/58/524880458.db2.gz WKRGVCNJGGAQEH-MRXNPFEDSA-N 1 2 360.454 1.715 20 70 FDIDLO CC(C)(C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc2c(c1)OCCO2 ZINC000160403804 524880465 /nfs/dbraw/zinc/88/04/65/524880465.db2.gz WKRGVCNJGGAQEH-MRXNPFEDSA-N 1 2 360.454 1.715 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H]3C(=O)N(C)C)c2c1 ZINC000160496194 524902982 /nfs/dbraw/zinc/90/29/82/524902982.db2.gz DGOUGELDTCBUGT-INIZCTEOSA-N 1 2 357.410 1.690 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@H]3C(=O)N(C)C)c2c1 ZINC000160496194 524902995 /nfs/dbraw/zinc/90/29/95/524902995.db2.gz DGOUGELDTCBUGT-INIZCTEOSA-N 1 2 357.410 1.690 20 70 FDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2)CC1 ZINC000160544235 524912553 /nfs/dbraw/zinc/91/25/53/524912553.db2.gz GIOLWIPENOCEAZ-KSZLIROESA-N 1 2 350.507 1.365 20 70 FDIDLO NC(=O)[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000160557800 524915746 /nfs/dbraw/zinc/91/57/46/524915746.db2.gz LKLXCBCOSWABLE-OAHLLOKOSA-N 1 2 354.378 1.555 20 70 FDIDLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)c1cccc2[nH]c(=O)oc21 ZINC000160627357 524934553 /nfs/dbraw/zinc/93/45/53/524934553.db2.gz FFCJYEKDSJSMLW-KRWDZBQOSA-N 1 2 363.439 1.059 20 70 FDIDLO Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000160727599 524958276 /nfs/dbraw/zinc/95/82/76/524958276.db2.gz PKFSQADSNDCTAY-AWEZNQCLSA-N 1 2 364.413 1.766 20 70 FDIDLO O=C(CN1CC[NH2+]CC1=O)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000160726861 524958833 /nfs/dbraw/zinc/95/88/33/524958833.db2.gz KJUNEXCEXZJJNV-GOSISDBHSA-N 1 2 355.413 1.658 20 70 FDIDLO CCCN(CC1CC1)S(=O)(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000160781384 524967550 /nfs/dbraw/zinc/96/75/50/524967550.db2.gz UQJWVMUFSPOMBM-UHFFFAOYSA-N 1 2 367.515 1.877 20 70 FDIDLO CC(C)c1nc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc[nH+]1 ZINC000160891033 524989778 /nfs/dbraw/zinc/98/97/78/524989778.db2.gz QGILRBKPTXUELO-HNNXBMFYSA-N 1 2 355.442 1.615 20 70 FDIDLO CCN(CC)c1ncc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC000160960814 525004922 /nfs/dbraw/zinc/00/49/22/525004922.db2.gz USTJYZWKYREXPD-HNNXBMFYSA-N 1 2 352.504 1.813 20 70 FDIDLO CS(=O)(=O)NCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996226 525012371 /nfs/dbraw/zinc/01/23/71/525012371.db2.gz VCLZSIUUCCUWQZ-CHWSQXEVSA-N 1 2 352.378 1.362 20 70 FDIDLO CS(=O)(=O)NCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996226 525012383 /nfs/dbraw/zinc/01/23/83/525012383.db2.gz VCLZSIUUCCUWQZ-CHWSQXEVSA-N 1 2 352.378 1.362 20 70 FDIDLO Cc1c(C(=O)Nc2cnn(CC[NH+]3CCOCC3)c2)cnn1CC(C)C ZINC000161212846 525056241 /nfs/dbraw/zinc/05/62/41/525056241.db2.gz UGDGHNVWIAXRST-UHFFFAOYSA-N 1 2 360.462 1.629 20 70 FDIDLO Cn1cc(C(N)=O)cc1C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000161369635 525090209 /nfs/dbraw/zinc/09/02/09/525090209.db2.gz JNGUMBATEDWJRF-UHFFFAOYSA-N 1 2 360.845 1.735 20 70 FDIDLO Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cnc1Cl ZINC000159367371 524654555 /nfs/dbraw/zinc/65/45/55/524654555.db2.gz MQYCTFLEDBJOJB-GFCCVEGCSA-N 1 2 352.847 1.996 20 70 FDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccnn1C[C@H]1CCOC1 ZINC000159377823 524655807 /nfs/dbraw/zinc/65/58/07/524655807.db2.gz MOPXGJAHZDKCRN-CQSZACIVSA-N 1 2 358.446 1.817 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2cnc3ccccn23)C1 ZINC000159546586 524692837 /nfs/dbraw/zinc/69/28/37/524692837.db2.gz QGTFHIIGDQBIPN-OAHLLOKOSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000159546586 524692847 /nfs/dbraw/zinc/69/28/47/524692847.db2.gz QGTFHIIGDQBIPN-OAHLLOKOSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)Cc2c[nH+]c3ccccn23)C1 ZINC000159546586 524692856 /nfs/dbraw/zinc/69/28/56/524692856.db2.gz QGTFHIIGDQBIPN-OAHLLOKOSA-N 1 2 358.442 1.568 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)CC(C)(CO)CO ZINC000159544910 524693561 /nfs/dbraw/zinc/69/35/61/524693561.db2.gz IAKOVTDROYPMIM-UHFFFAOYSA-N 1 2 374.363 1.443 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)CC(C)(CO)CO ZINC000159544910 524693569 /nfs/dbraw/zinc/69/35/69/524693569.db2.gz IAKOVTDROYPMIM-UHFFFAOYSA-N 1 2 374.363 1.443 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)CC(C)(CO)CO ZINC000159544910 524693577 /nfs/dbraw/zinc/69/35/77/524693577.db2.gz IAKOVTDROYPMIM-UHFFFAOYSA-N 1 2 374.363 1.443 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)CC(C)(CO)CO ZINC000159544910 524693582 /nfs/dbraw/zinc/69/35/82/524693582.db2.gz IAKOVTDROYPMIM-UHFFFAOYSA-N 1 2 374.363 1.443 20 70 FDIDLO C[C@H](C(=O)N1CC[NH+]([C@H](C)C(=O)N2CCOCC2)CC1)c1cccs1 ZINC000159553984 524694587 /nfs/dbraw/zinc/69/45/87/524694587.db2.gz PSLMITRVMSOXMA-LSDHHAIUSA-N 1 2 365.499 1.243 20 70 FDIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@H]1CCCS1(=O)=O ZINC000159549434 524695587 /nfs/dbraw/zinc/69/55/87/524695587.db2.gz CWNQTICUONYCNV-CQSZACIVSA-N 1 2 352.460 1.058 20 70 FDIDLO CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)c1nc2ccccc2s1 ZINC000159582987 524701453 /nfs/dbraw/zinc/70/14/53/524701453.db2.gz JKFFTERJTZMJAN-UHFFFAOYSA-N 1 2 351.472 1.572 20 70 FDIDLO CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)c1nc2ccccc2s1 ZINC000159582987 524701463 /nfs/dbraw/zinc/70/14/63/524701463.db2.gz JKFFTERJTZMJAN-UHFFFAOYSA-N 1 2 351.472 1.572 20 70 FDIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000159713175 524725632 /nfs/dbraw/zinc/72/56/32/524725632.db2.gz MGORXBCVAYRRSD-UKRRQHHQSA-N 1 2 360.487 1.743 20 70 FDIDLO C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000160077706 524802632 /nfs/dbraw/zinc/80/26/32/524802632.db2.gz VTNVKTFVCDBSSI-SJORKVTESA-N 1 2 361.490 1.018 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160270504 524845810 /nfs/dbraw/zinc/84/58/10/524845810.db2.gz KYHAEAYZMNVMKP-GDBMZVCRSA-N 1 2 365.424 1.691 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160270504 524845822 /nfs/dbraw/zinc/84/58/22/524845822.db2.gz KYHAEAYZMNVMKP-GDBMZVCRSA-N 1 2 365.424 1.691 20 70 FDIDLO Cc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c2cccnc12 ZINC000160408882 524880916 /nfs/dbraw/zinc/88/09/16/524880916.db2.gz YWFCFBTXNVCYEA-AWEZNQCLSA-N 1 2 363.483 1.790 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccccc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000160412568 524881811 /nfs/dbraw/zinc/88/18/11/524881811.db2.gz QXNGYKGBGHFWEC-LBPRGKRZSA-N 1 2 366.405 1.952 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000160456472 524894341 /nfs/dbraw/zinc/89/43/41/524894341.db2.gz BDZNDPOZZDNEGL-OKILXGFUSA-N 1 2 360.458 1.670 20 70 FDIDLO CNC(=O)c1cccc(CNC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000160478514 524899012 /nfs/dbraw/zinc/89/90/12/524899012.db2.gz FNZJETSTVDMYEE-KRWDZBQOSA-N 1 2 367.453 1.909 20 70 FDIDLO Cc1nnnn1-c1cccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160691691 524949761 /nfs/dbraw/zinc/94/97/61/524949761.db2.gz CNUZYHPRTYUMJU-OAHLLOKOSA-N 1 2 364.413 1.766 20 70 FDIDLO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000160752911 524964084 /nfs/dbraw/zinc/96/40/84/524964084.db2.gz WNAIRTDARQSTAQ-MRXNPFEDSA-N 1 2 374.485 1.442 20 70 FDIDLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CC)c1nccs1)[C@H]1CCS(=O)(=O)C1 ZINC000161068766 525026571 /nfs/dbraw/zinc/02/65/71/525026571.db2.gz ZIZKTMLXKJRIKL-IHRRRGAJSA-N 1 2 373.544 1.998 20 70 FDIDLO COc1ccccc1CNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161144176 525042979 /nfs/dbraw/zinc/04/29/79/525042979.db2.gz XSBALODIEWXTAW-UHFFFAOYSA-N 1 2 354.454 1.524 20 70 FDIDLO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161169533 525047967 /nfs/dbraw/zinc/04/79/67/525047967.db2.gz FBMCQJRSIOKYRH-INIZCTEOSA-N 1 2 355.438 1.686 20 70 FDIDLO NS(=O)(=O)CCNC(=O)Cn1c2ccccc2[nH+]c1C1CCCCC1 ZINC000161215059 525057257 /nfs/dbraw/zinc/05/72/57/525057257.db2.gz RFFZDGCXVQOHHC-UHFFFAOYSA-N 1 2 364.471 1.489 20 70 FDIDLO Cc1cc(=O)n2nc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)sc2n1 ZINC000161287117 525071612 /nfs/dbraw/zinc/07/16/12/525071612.db2.gz RKDCKYOOBBMYJV-LBPRGKRZSA-N 1 2 362.377 1.595 20 70 FDIDLO CC(C)[C@@H](C(=O)Nc1ccc(CNC(N)=O)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161366126 525095074 /nfs/dbraw/zinc/09/50/74/525095074.db2.gz XVOTVSBZFPINSL-CPUCHLNUSA-N 1 2 362.474 1.927 20 70 FDIDLO CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000161428618 525107369 /nfs/dbraw/zinc/10/73/69/525107369.db2.gz CHLKCKQVLIPXFO-CVEARBPZSA-N 1 2 368.499 1.709 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000161479821 525116592 /nfs/dbraw/zinc/11/65/92/525116592.db2.gz QYKURTGCRWJHRL-MRXNPFEDSA-N 1 2 362.455 1.746 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000161479821 525116597 /nfs/dbraw/zinc/11/65/97/525116597.db2.gz QYKURTGCRWJHRL-MRXNPFEDSA-N 1 2 362.455 1.746 20 70 FDIDLO COC[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000159697618 524722693 /nfs/dbraw/zinc/72/26/93/524722693.db2.gz JZVGESWBNHYEGZ-RBUKOAKNSA-N 1 2 361.486 1.654 20 70 FDIDLO CCc1c(C(=O)N2CC[NH+](Cc3ccncc3)CC2)[nH]c(C)c1C(N)=O ZINC000159861631 524755656 /nfs/dbraw/zinc/75/56/56/524755656.db2.gz FPGZJZBUMXKMAB-UHFFFAOYSA-N 1 2 355.442 1.337 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160072775 524801795 /nfs/dbraw/zinc/80/17/95/524801795.db2.gz YZCYCVDJTASHKO-UHFFFAOYSA-N 1 2 358.417 1.610 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160072775 524801804 /nfs/dbraw/zinc/80/18/04/524801804.db2.gz YZCYCVDJTASHKO-UHFFFAOYSA-N 1 2 358.417 1.610 20 70 FDIDLO CNC(=O)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000160135742 524815827 /nfs/dbraw/zinc/81/58/27/524815827.db2.gz LSZYLQKAQWRESK-HNNXBMFYSA-N 1 2 368.275 1.824 20 70 FDIDLO CC[C@]1(C)C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000160163469 524822586 /nfs/dbraw/zinc/82/25/86/524822586.db2.gz KFIMAWLVXYIFDC-SJLPKXTDSA-N 1 2 365.499 1.997 20 70 FDIDLO O=C(c1ccsc1)N1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000160200243 524829039 /nfs/dbraw/zinc/82/90/39/524829039.db2.gz YGLCEYIGQASAJC-CQSZACIVSA-N 1 2 358.467 1.882 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)c1CC ZINC000160340817 524862225 /nfs/dbraw/zinc/86/22/25/524862225.db2.gz OFBZCAUKAGYZCZ-UHFFFAOYSA-N 1 2 370.457 1.322 20 70 FDIDLO Cc1conc1NC(=O)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000160342565 524862501 /nfs/dbraw/zinc/86/25/01/524862501.db2.gz GSDRJOYJHCJIKW-UHFFFAOYSA-N 1 2 358.398 1.145 20 70 FDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160386605 524876091 /nfs/dbraw/zinc/87/60/91/524876091.db2.gz YQPBRHMAISOVCZ-SJORKVTESA-N 1 2 366.506 1.140 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C[NH+]1CCOCC1 ZINC000160398388 524879000 /nfs/dbraw/zinc/87/90/00/524879000.db2.gz DARCPEIKQRBKBJ-KBPBESRZSA-N 1 2 354.472 1.257 20 70 FDIDLO COCCCOc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000161037318 525020246 /nfs/dbraw/zinc/02/02/46/525020246.db2.gz RUNKVNHZDJUCEU-IBGZPJMESA-N 1 2 362.470 1.925 20 70 FDIDLO C[C@@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CCOCC1 ZINC000161088676 525030688 /nfs/dbraw/zinc/03/06/88/525030688.db2.gz DOIROWKHONUBRV-CYBMUJFWSA-N 1 2 356.426 1.957 20 70 FDIDLO COc1cccc(CNC(=O)C[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161298079 525075267 /nfs/dbraw/zinc/07/52/67/525075267.db2.gz ADLUESKKRWTTAV-MRXNPFEDSA-N 1 2 360.376 1.947 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159467925 524678244 /nfs/dbraw/zinc/67/82/44/524678244.db2.gz LWXANSTZPUHRNL-LSDHHAIUSA-N 1 2 356.430 1.715 20 70 FDIDLO CCOC(=O)CCS(=O)(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000159585478 524701013 /nfs/dbraw/zinc/70/10/13/524701013.db2.gz LBDXDRWBSYVGCZ-UHFFFAOYSA-N 1 2 374.528 1.711 20 70 FDIDLO O[C@H](C[C@@H]1COCC[N@H+]1C[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000159607525 524706280 /nfs/dbraw/zinc/70/62/80/524706280.db2.gz NPDWTURAHHUAFV-SOLBZPMBSA-N 1 2 365.401 1.983 20 70 FDIDLO O[C@H](C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000159607525 524706292 /nfs/dbraw/zinc/70/62/92/524706292.db2.gz NPDWTURAHHUAFV-SOLBZPMBSA-N 1 2 365.401 1.983 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000159690992 524720969 /nfs/dbraw/zinc/72/09/69/524720969.db2.gz QKSSQXVWAVVSDR-GOEBONIOSA-N 1 2 357.414 2.000 20 70 FDIDLO COC(=O)[C@H](c1cccnc1)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000159836719 524748710 /nfs/dbraw/zinc/74/87/10/524748710.db2.gz LFEHJHMPQHBNKT-YJBOKZPZSA-N 1 2 374.485 1.361 20 70 FDIDLO COc1ccccc1Nc1nc(N)nc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159864025 524755428 /nfs/dbraw/zinc/75/54/28/524755428.db2.gz FIKVTXZOMNELQW-JSGCOSHPSA-N 1 2 358.446 1.799 20 70 FDIDLO COc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)n1 ZINC000159864025 524755432 /nfs/dbraw/zinc/75/54/32/524755432.db2.gz FIKVTXZOMNELQW-JSGCOSHPSA-N 1 2 358.446 1.799 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000160033987 524795354 /nfs/dbraw/zinc/79/53/54/524795354.db2.gz ZPLFKMKQDMPVRG-UHFFFAOYSA-N 1 2 359.470 1.759 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccccc2OCC2CC2)CC1 ZINC000160033987 524795359 /nfs/dbraw/zinc/79/53/59/524795359.db2.gz ZPLFKMKQDMPVRG-UHFFFAOYSA-N 1 2 359.470 1.759 20 70 FDIDLO C[NH+](C)C[C@H](O)COc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000160116009 524812983 /nfs/dbraw/zinc/81/29/83/524812983.db2.gz OEQYTJOTVWSXKN-ZDUSSCGKSA-N 1 2 356.469 1.850 20 70 FDIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)N1CCCCC1 ZINC000160354119 524867188 /nfs/dbraw/zinc/86/71/88/524867188.db2.gz VPAFJHBOJWRWBD-UHFFFAOYSA-N 1 2 366.531 1.471 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc2oc(=O)ccc2c1)C[NH+]1CCOCC1 ZINC000160370104 524868562 /nfs/dbraw/zinc/86/85/62/524868562.db2.gz UKYNTCXYHPZUIZ-ZDUSSCGKSA-N 1 2 366.439 1.040 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cc(F)c(F)cc1F)C[NH+]1CCOCC1 ZINC000160394933 524878803 /nfs/dbraw/zinc/87/88/03/524878803.db2.gz DCLPYRCCFXFFKT-SNVBAGLBSA-N 1 2 352.378 1.351 20 70 FDIDLO Cc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1-n1cnnn1 ZINC000160640091 524935063 /nfs/dbraw/zinc/93/50/63/524935063.db2.gz UDGKMBQYIVKGTP-HNNXBMFYSA-N 1 2 364.413 1.766 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)NCCc1cn2ccccc2[nH+]1 ZINC000160687465 524948658 /nfs/dbraw/zinc/94/86/58/524948658.db2.gz RLJKTBWXBPMKEN-UHFFFAOYSA-N 1 2 351.410 1.598 20 70 FDIDLO Cc1cc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)nc(C(C)C)[nH+]1 ZINC000160893242 524991727 /nfs/dbraw/zinc/99/17/27/524991727.db2.gz JBABSHPQZDECSL-INIZCTEOSA-N 1 2 369.469 1.923 20 70 FDIDLO CC[C@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000160957297 525004636 /nfs/dbraw/zinc/00/46/36/525004636.db2.gz BMILBJLIXKBPPY-FMKPAKJESA-N 1 2 350.463 1.655 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057808 525024342 /nfs/dbraw/zinc/02/43/42/525024342.db2.gz DUGLGOQLENISMX-ZIAGYGMSSA-N 1 2 371.359 1.801 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057808 525024349 /nfs/dbraw/zinc/02/43/49/525024349.db2.gz DUGLGOQLENISMX-ZIAGYGMSSA-N 1 2 371.359 1.801 20 70 FDIDLO CS(=O)(=O)CCOc1cccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161113563 525036446 /nfs/dbraw/zinc/03/64/46/525036446.db2.gz RUPMPFMQKZROQQ-ZDUSSCGKSA-N 1 2 363.439 1.508 20 70 FDIDLO CCCCN1CCc2ccc(NC(=O)C(=O)NCCn3cc[nH+]c3)cc21 ZINC000161133137 525038940 /nfs/dbraw/zinc/03/89/40/525038940.db2.gz CNTVHERVNHWMTE-UHFFFAOYSA-N 1 2 355.442 1.801 20 70 FDIDLO Cc1cc(NCCNS(=O)(=O)c2cccnc2)nc(-c2cccnc2)[nH+]1 ZINC000161212633 525056846 /nfs/dbraw/zinc/05/68/46/525056846.db2.gz ALAGPTMPIDWNFP-UHFFFAOYSA-N 1 2 370.438 1.632 20 70 FDIDLO CC(C)(C)C(=O)Cn1cc(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)nn1 ZINC000161320565 525081056 /nfs/dbraw/zinc/08/10/56/525081056.db2.gz VTMMKKJLELZUQD-CYBMUJFWSA-N 1 2 356.430 1.297 20 70 FDIDLO Cc1ccccc1[C@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)NC(N)=O ZINC000161425316 525107334 /nfs/dbraw/zinc/10/73/34/525107334.db2.gz XZBLFELQTZXREZ-RDJZCZTQSA-N 1 2 367.453 1.885 20 70 FDIDLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 ZINC000159914068 173692367 /nfs/dbraw/zinc/69/23/67/173692367.db2.gz ZRCBUOCONRFXEH-UHFFFAOYSA-N 1 2 366.425 1.830 20 70 FDIDLO C[C@@H]1Cc2cc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000159369603 524654853 /nfs/dbraw/zinc/65/48/53/524654853.db2.gz CCXXKUPVLOZRLM-HIFRSBDPSA-N 1 2 359.451 1.962 20 70 FDIDLO COc1cccc(CS(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159467882 524676320 /nfs/dbraw/zinc/67/63/20/524676320.db2.gz DBCQSQZNWZVWAH-UHFFFAOYSA-N 1 2 370.515 1.815 20 70 FDIDLO C[C@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[NH+]1CCN(C)CC1 ZINC000159523901 524689139 /nfs/dbraw/zinc/68/91/39/524689139.db2.gz YEFVXJGRFIWKFU-VXGBXAGGSA-N 1 2 373.423 1.286 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2c(C)nc3ccccn32)C1 ZINC000159546906 524693597 /nfs/dbraw/zinc/69/35/97/524693597.db2.gz AIJKLBDLWUENSN-MRXNPFEDSA-N 1 2 372.469 1.876 20 70 FDIDLO CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2c(C)nc3ccccn32)C1 ZINC000159546906 524693603 /nfs/dbraw/zinc/69/36/03/524693603.db2.gz AIJKLBDLWUENSN-MRXNPFEDSA-N 1 2 372.469 1.876 20 70 FDIDLO Cc1cc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)ccc1Br ZINC000159565673 524696728 /nfs/dbraw/zinc/69/67/28/524696728.db2.gz ABFHNFRRHTVTHB-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO Cc1cc(NC(=O)C[N@H+](C)CC(C)(CO)CO)ccc1Br ZINC000159565673 524696732 /nfs/dbraw/zinc/69/67/32/524696732.db2.gz ABFHNFRRHTVTHB-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO COCCCS(=O)(=O)NCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159617547 524708889 /nfs/dbraw/zinc/70/88/89/524708889.db2.gz RRTNGXCPZOGKDJ-SFHVURJKSA-N 1 2 368.499 1.116 20 70 FDIDLO COCCCS(=O)(=O)NCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159617547 524708894 /nfs/dbraw/zinc/70/88/94/524708894.db2.gz RRTNGXCPZOGKDJ-SFHVURJKSA-N 1 2 368.499 1.116 20 70 FDIDLO c1cn(CCSc2nnc(N3CCOCC3)n2C[C@@H]2CCCO2)c[nH+]1 ZINC000159753964 524732435 /nfs/dbraw/zinc/73/24/35/524732435.db2.gz ISTZUBGATRLAMH-AWEZNQCLSA-N 1 2 364.475 1.283 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000159841002 524752056 /nfs/dbraw/zinc/75/20/56/524752056.db2.gz UKDWHWLKYKGZKF-KRWDZBQOSA-N 1 2 370.457 1.664 20 70 FDIDLO Cc1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000159930045 524771369 /nfs/dbraw/zinc/77/13/69/524771369.db2.gz XTJYQWFSRJPRRV-QGZVFWFLSA-N 1 2 352.438 1.739 20 70 FDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC000160117881 524811223 /nfs/dbraw/zinc/81/12/23/524811223.db2.gz OUFLCBZVRCFZLG-UHFFFAOYSA-N 1 2 352.504 1.315 20 70 FDIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000160247375 524841371 /nfs/dbraw/zinc/84/13/71/524841371.db2.gz PHAHFVXDCNPKBD-ZDUSSCGKSA-N 1 2 360.380 1.992 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1F)C[NH+]1CCOCC1 ZINC000160383224 524873890 /nfs/dbraw/zinc/87/38/90/524873890.db2.gz RLPWSHKXCULZNA-LLVKDONJSA-N 1 2 350.843 1.726 20 70 FDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1cccc(Nc2cnccn2)c1 ZINC000160436306 524890008 /nfs/dbraw/zinc/89/00/08/524890008.db2.gz NNOMKJWMFVUOET-KRWDZBQOSA-N 1 2 353.426 1.813 20 70 FDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1cccc(Nc2cnccn2)c1 ZINC000160436306 524890016 /nfs/dbraw/zinc/89/00/16/524890016.db2.gz NNOMKJWMFVUOET-KRWDZBQOSA-N 1 2 353.426 1.813 20 70 FDIDLO COc1ncc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1C(N)=O ZINC000160739612 524962043 /nfs/dbraw/zinc/96/20/43/524962043.db2.gz FLSGYFPJUGJWNB-GFCCVEGCSA-N 1 2 354.410 1.574 20 70 FDIDLO COc1ncc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1C(N)=O ZINC000160739612 524962055 /nfs/dbraw/zinc/96/20/55/524962055.db2.gz FLSGYFPJUGJWNB-GFCCVEGCSA-N 1 2 354.410 1.574 20 70 FDIDLO Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161095667 525033363 /nfs/dbraw/zinc/03/33/63/525033363.db2.gz IDIYYVYHPUCOIE-GOSISDBHSA-N 1 2 366.465 1.667 20 70 FDIDLO CN(Cc1cccn1C)C(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161144573 525043109 /nfs/dbraw/zinc/04/31/09/525043109.db2.gz ISFZJBSRRNPWGC-UHFFFAOYSA-N 1 2 361.490 1.111 20 70 FDIDLO O=C(CNC(=O)N[C@H]1CCCN(c2cccc[nH+]2)C1)NC1CCCCC1 ZINC000161292080 525075070 /nfs/dbraw/zinc/07/50/70/525075070.db2.gz HVFYJDZIYKIZIQ-INIZCTEOSA-N 1 2 359.474 1.799 20 70 FDIDLO CCO[C@@H]1C[C@H](O)C12CCN(C(=O)NCc1cn3ccccc3[nH+]1)CC2 ZINC000161301615 525076634 /nfs/dbraw/zinc/07/66/34/525076634.db2.gz GGTPHJFVEHBRME-JKSUJKDBSA-N 1 2 358.442 1.796 20 70 FDIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000161302820 525077365 /nfs/dbraw/zinc/07/73/65/525077365.db2.gz JSKGVXJZZWBONF-SECBINFHSA-N 1 2 365.274 1.010 20 70 FDIDLO CC[C@@H]1CN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CCN1CC(F)F ZINC000161457079 525112817 /nfs/dbraw/zinc/11/28/17/525112817.db2.gz LMRSDNXNALQVQO-LLVKDONJSA-N 1 2 356.373 1.217 20 70 FDIDLO Cc1c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cccc1S(N)(=O)=O ZINC000161472523 525116353 /nfs/dbraw/zinc/11/63/53/525116353.db2.gz FKSREEQNWWBNIQ-ZDUSSCGKSA-N 1 2 360.439 1.046 20 70 FDIDLO Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000161127102 258263561 /nfs/dbraw/zinc/26/35/61/258263561.db2.gz KYYGOCABCGVNPR-SFHVURJKSA-N 1 2 366.465 1.667 20 70 FDIDLO COc1nc(C)nc(NCc2ccc[nH+]c2N2CCC(C(N)=O)CC2)c1C ZINC000159379432 524656429 /nfs/dbraw/zinc/65/64/29/524656429.db2.gz QPNHXPGATCUUPR-UHFFFAOYSA-N 1 2 370.457 1.811 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000159457942 524673561 /nfs/dbraw/zinc/67/35/61/524673561.db2.gz KAZQNKNJYYRRBV-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO C[N@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(C)(CO)CO ZINC000159599409 524706529 /nfs/dbraw/zinc/70/65/29/524706529.db2.gz WUGXLAJUXFJLLK-UHFFFAOYSA-N 1 2 350.337 1.446 20 70 FDIDLO C[N@@H+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(C)(CO)CO ZINC000159599409 524706534 /nfs/dbraw/zinc/70/65/34/524706534.db2.gz WUGXLAJUXFJLLK-UHFFFAOYSA-N 1 2 350.337 1.446 20 70 FDIDLO O=C(CNC(=O)CC1CCCC1)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000159596918 524706760 /nfs/dbraw/zinc/70/67/60/524706760.db2.gz BITJRFCFQINPSF-LJQANCHMSA-N 1 2 373.497 1.873 20 70 FDIDLO CC(C)c1nc(N(C)C)nc(NCCS(=O)(=O)NCC2CCC2)[nH+]1 ZINC000159650725 524714892 /nfs/dbraw/zinc/71/48/92/524714892.db2.gz HYCIJUYGRCKRRD-UHFFFAOYSA-N 1 2 356.496 1.192 20 70 FDIDLO CC(C)c1nc(NCCS(=O)(=O)NCC2CCC2)nc(N(C)C)[nH+]1 ZINC000159650725 524714903 /nfs/dbraw/zinc/71/49/03/524714903.db2.gz HYCIJUYGRCKRRD-UHFFFAOYSA-N 1 2 356.496 1.192 20 70 FDIDLO Cc1nc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)sc1SCC(N)=O ZINC000159682355 524720994 /nfs/dbraw/zinc/72/09/94/524720994.db2.gz LJOCBTUTAIJDQR-VIFPVBQESA-N 1 2 351.457 1.427 20 70 FDIDLO COc1c(C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)c(C)nn1C ZINC000159752672 524733326 /nfs/dbraw/zinc/73/33/26/524733326.db2.gz FHQZIIWYVASXJB-CYBMUJFWSA-N 1 2 367.247 1.816 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)C(=O)Nc1cccnc1-c1ccccc1 ZINC000160078251 524802997 /nfs/dbraw/zinc/80/29/97/524802997.db2.gz YAIZJKWEKRUYKV-HNNXBMFYSA-N 1 2 368.437 1.524 20 70 FDIDLO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1F ZINC000160122200 524813551 /nfs/dbraw/zinc/81/35/51/524813551.db2.gz IOPCAHMEGYDTBT-INIZCTEOSA-N 1 2 370.428 1.878 20 70 FDIDLO COc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000160164980 524822532 /nfs/dbraw/zinc/82/25/32/524822532.db2.gz DFUXEZPYNNYANS-UHFFFAOYSA-N 1 2 354.472 1.513 20 70 FDIDLO Cc1cccc([C@@H](CNC(=O)N2CCC[C@](C)(O)C2)[NH+]2CCOCC2)c1 ZINC000160280559 524847882 /nfs/dbraw/zinc/84/78/82/524847882.db2.gz RWUVMEKOCPBHCZ-QUCCMNQESA-N 1 2 361.486 1.925 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160376841 524871865 /nfs/dbraw/zinc/87/18/65/524871865.db2.gz OKMRLNVDXYAJDL-QGZVFWFLSA-N 1 2 367.515 1.727 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160376841 524871877 /nfs/dbraw/zinc/87/18/77/524871877.db2.gz OKMRLNVDXYAJDL-QGZVFWFLSA-N 1 2 367.515 1.727 20 70 FDIDLO CC(=O)N[C@H](CC(=O)N[C@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160603230 524927420 /nfs/dbraw/zinc/92/74/20/524927420.db2.gz DEWOXAZOWJWEOA-SJKOYZFVSA-N 1 2 369.412 1.369 20 70 FDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000160621296 524932337 /nfs/dbraw/zinc/93/23/37/524932337.db2.gz DAVLOIPTJSPXBA-AWEZNQCLSA-N 1 2 357.462 1.240 20 70 FDIDLO CCC[N@@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)CC(=O)N(C)C ZINC000160655942 524940222 /nfs/dbraw/zinc/94/02/22/524940222.db2.gz SQTUOGPVSPPZSR-UHFFFAOYSA-N 1 2 359.426 1.937 20 70 FDIDLO CCC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)CC(=O)N(C)C ZINC000160655942 524940233 /nfs/dbraw/zinc/94/02/33/524940233.db2.gz SQTUOGPVSPPZSR-UHFFFAOYSA-N 1 2 359.426 1.937 20 70 FDIDLO Cc1nnnn1-c1cccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160691809 524948819 /nfs/dbraw/zinc/94/88/19/524948819.db2.gz CNUZYHPRTYUMJU-HNNXBMFYSA-N 1 2 364.413 1.766 20 70 FDIDLO CCCN(C(=O)[C@H](C)[NH2+][C@@H](CC)c1nccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000161068658 525026833 /nfs/dbraw/zinc/02/68/33/525026833.db2.gz ZIZKTMLXKJRIKL-MJBXVCDLSA-N 1 2 373.544 1.998 20 70 FDIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC000161302681 525076792 /nfs/dbraw/zinc/07/67/92/525076792.db2.gz JSKGVXJZZWBONF-VIFPVBQESA-N 1 2 365.274 1.010 20 70 FDIDLO CN1C(=O)C[C@@H](C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccnc1 ZINC000161315590 525077825 /nfs/dbraw/zinc/07/78/25/525077825.db2.gz ZQWPYAWLBBLMKM-GPMSIDNRSA-N 1 2 365.437 1.391 20 70 FDIDLO Cc1nc(CN2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000161449081 525110920 /nfs/dbraw/zinc/11/09/20/525110920.db2.gz JYMFWNNMJPWFHD-OAHLLOKOSA-N 1 2 359.499 1.945 20 70 FDIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CCCS1(=O)=O ZINC000159379704 524655447 /nfs/dbraw/zinc/65/54/47/524655447.db2.gz PYHUULIFQGGZHD-AWEZNQCLSA-N 1 2 352.460 1.058 20 70 FDIDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@H+](C)C[C@@H](C)O)nc(=O)c2c1C ZINC000159401305 524661510 /nfs/dbraw/zinc/66/15/10/524661510.db2.gz QBPYNXYGYHPZSY-PSASIEDQSA-N 1 2 353.444 1.843 20 70 FDIDLO CCOC(=O)c1sc2[nH]c([C@@H](C)[N@@H+](C)C[C@@H](C)O)nc(=O)c2c1C ZINC000159401305 524661518 /nfs/dbraw/zinc/66/15/18/524661518.db2.gz QBPYNXYGYHPZSY-PSASIEDQSA-N 1 2 353.444 1.843 20 70 FDIDLO Cc1c(CNC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cnn1C ZINC000159399271 524662111 /nfs/dbraw/zinc/66/21/11/524662111.db2.gz ALVKDYLWXUPKII-SFHVURJKSA-N 1 2 357.458 1.601 20 70 FDIDLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](O)COCC3CC3)cn2c1 ZINC000159403645 524662626 /nfs/dbraw/zinc/66/26/26/524662626.db2.gz DHAPXKPSXYGJMU-INIZCTEOSA-N 1 2 363.483 1.780 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000159441114 524669578 /nfs/dbraw/zinc/66/95/78/524669578.db2.gz AQQVDFFAOITJTP-UHFFFAOYSA-N 1 2 366.487 1.542 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159472304 524678311 /nfs/dbraw/zinc/67/83/11/524678311.db2.gz WUGNDOOFUABYGJ-HOTGVXAUSA-N 1 2 361.486 1.827 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159472304 524678321 /nfs/dbraw/zinc/67/83/21/524678321.db2.gz WUGNDOOFUABYGJ-HOTGVXAUSA-N 1 2 361.486 1.827 20 70 FDIDLO C[C@@H](CNC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[NH+]1CCN(C)CC1 ZINC000159523784 524689706 /nfs/dbraw/zinc/68/97/06/524689706.db2.gz YEFVXJGRFIWKFU-NWDGAFQWSA-N 1 2 373.423 1.286 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2c(C)nc3ccccn32)C1 ZINC000159547064 524692556 /nfs/dbraw/zinc/69/25/56/524692556.db2.gz AIJKLBDLWUENSN-INIZCTEOSA-N 1 2 372.469 1.876 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2c(C)nc3ccccn32)C1 ZINC000159547064 524692562 /nfs/dbraw/zinc/69/25/62/524692562.db2.gz AIJKLBDLWUENSN-INIZCTEOSA-N 1 2 372.469 1.876 20 70 FDIDLO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000159713348 524725966 /nfs/dbraw/zinc/72/59/66/524725966.db2.gz MGORXBCVAYRRSD-ZFWWWQNUSA-N 1 2 360.487 1.743 20 70 FDIDLO O=C(CCNC(=O)N1CC[NH+](Cc2ccccn2)CC1)N1CCCCCC1 ZINC000159853749 524753825 /nfs/dbraw/zinc/75/38/25/524753825.db2.gz DOZGXCVKQASKGT-UHFFFAOYSA-N 1 2 373.501 1.702 20 70 FDIDLO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160421755 524885067 /nfs/dbraw/zinc/88/50/67/524885067.db2.gz IVJQHAYIIKPDHJ-FOZGUINQSA-N 1 2 352.438 1.865 20 70 FDIDLO O=C(/C=C/c1ccc(-n2ccnc2)cc1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160421755 524885076 /nfs/dbraw/zinc/88/50/76/524885076.db2.gz IVJQHAYIIKPDHJ-FOZGUINQSA-N 1 2 352.438 1.865 20 70 FDIDLO CS(=O)(=O)c1ccccc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160468605 524896169 /nfs/dbraw/zinc/89/61/69/524896169.db2.gz UVPRDHJAQCJCME-CYBMUJFWSA-N 1 2 360.439 1.886 20 70 FDIDLO COCc1nc2n(n1)C[C@H](NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)CC2 ZINC000160788491 524970501 /nfs/dbraw/zinc/97/05/01/524970501.db2.gz WKEBIQRLDPBNRN-OLZOCXBDSA-N 1 2 359.434 1.399 20 70 FDIDLO COCc1nc2n(n1)C[C@@H](NC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)CC2 ZINC000160788357 524971085 /nfs/dbraw/zinc/97/10/85/524971085.db2.gz WKEBIQRLDPBNRN-QWHCGFSZSA-N 1 2 359.434 1.399 20 70 FDIDLO Cc1nc([C@H](NC(=O)NCC[NH+]2CCOCC2)c2ccccc2F)no1 ZINC000160874051 524987828 /nfs/dbraw/zinc/98/78/28/524987828.db2.gz GVMCRJLHXAAMPB-OAHLLOKOSA-N 1 2 363.393 1.238 20 70 FDIDLO Cc1ccc(C(=O)CC[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 ZINC000160969591 525005649 /nfs/dbraw/zinc/00/56/49/525005649.db2.gz DVJQUHNNTPJINI-UHFFFAOYSA-N 1 2 353.422 1.714 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1ccccc1F ZINC000161152076 525044384 /nfs/dbraw/zinc/04/43/84/525044384.db2.gz OOMAIZBHSDQYGY-UHFFFAOYSA-N 1 2 365.430 1.852 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1ccccc1F ZINC000161152076 525044390 /nfs/dbraw/zinc/04/43/90/525044390.db2.gz OOMAIZBHSDQYGY-UHFFFAOYSA-N 1 2 365.430 1.852 20 70 FDIDLO COc1ccccc1CCNC(=O)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161249473 525063695 /nfs/dbraw/zinc/06/36/95/525063695.db2.gz GFYQMWNWCSFUAW-KRWDZBQOSA-N 1 2 374.403 1.989 20 70 FDIDLO Cc1occc1CN(C)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000161292926 525075202 /nfs/dbraw/zinc/07/52/02/525075202.db2.gz GVACKKDRUXFLQD-UHFFFAOYSA-N 1 2 372.425 1.725 20 70 FDIDLO CC(C)[C@@H](C(=O)Nc1ccc(CNC(N)=O)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161365877 525094535 /nfs/dbraw/zinc/09/45/35/525094535.db2.gz XVOTVSBZFPINSL-VBQJREDUSA-N 1 2 362.474 1.927 20 70 FDIDLO CC(C)[C@@H](C(=O)Nc1ccc(CNC(N)=O)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161365877 525094542 /nfs/dbraw/zinc/09/45/42/525094542.db2.gz XVOTVSBZFPINSL-VBQJREDUSA-N 1 2 362.474 1.927 20 70 FDIDLO C[C@@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000161046894 258263598 /nfs/dbraw/zinc/26/35/98/258263598.db2.gz NXMKAGXDKUQSPZ-ZIAGYGMSSA-N 1 2 358.446 1.713 20 70 FDIDLO Cn1c(COc2ccccc2)nnc1SCC(=O)N1CC[NH+](C)CC1 ZINC000159388721 524658021 /nfs/dbraw/zinc/65/80/21/524658021.db2.gz YFXNXMUVNJWPLT-UHFFFAOYSA-N 1 2 361.471 1.260 20 70 FDIDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439906 524670769 /nfs/dbraw/zinc/67/07/69/524670769.db2.gz NTJHRQRSALOFAC-NEPJUHHUSA-N 1 2 373.423 1.286 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1cc(F)ccc1F ZINC000159464420 524676756 /nfs/dbraw/zinc/67/67/56/524676756.db2.gz GWTPMIDHSXYRNN-UHFFFAOYSA-N 1 2 362.442 1.944 20 70 FDIDLO CCC[C@@H](C(=O)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1)[NH+](C)C ZINC000159464821 524677752 /nfs/dbraw/zinc/67/77/52/524677752.db2.gz NCLKWBFSSCWVDV-HNNXBMFYSA-N 1 2 365.478 1.366 20 70 FDIDLO CC(C)Cn1cnc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159477538 524680528 /nfs/dbraw/zinc/68/05/28/524680528.db2.gz VYBFXTNZUOMCSG-UHFFFAOYSA-N 1 2 372.535 1.518 20 70 FDIDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159527545 524690828 /nfs/dbraw/zinc/69/08/28/524690828.db2.gz HCLUTSXXVJBCBZ-UHFFFAOYSA-N 1 2 374.485 1.659 20 70 FDIDLO Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159527545 524690831 /nfs/dbraw/zinc/69/08/31/524690831.db2.gz HCLUTSXXVJBCBZ-UHFFFAOYSA-N 1 2 374.485 1.659 20 70 FDIDLO COC[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)C1CC1 ZINC000159619827 524710449 /nfs/dbraw/zinc/71/04/49/524710449.db2.gz CCKCJYZEZCJNRL-HNNXBMFYSA-N 1 2 354.472 1.177 20 70 FDIDLO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659270 524717635 /nfs/dbraw/zinc/71/76/35/524717635.db2.gz CRPREQRCTPGISE-WBVHZDCISA-N 1 2 359.474 1.110 20 70 FDIDLO C[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000159865494 524754566 /nfs/dbraw/zinc/75/45/66/524754566.db2.gz BLVSNFPVPUBXGF-OCCSQVGLSA-N 1 2 371.528 1.371 20 70 FDIDLO C[C@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000159865494 524754577 /nfs/dbraw/zinc/75/45/77/524754577.db2.gz BLVSNFPVPUBXGF-OCCSQVGLSA-N 1 2 371.528 1.371 20 70 FDIDLO CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCS1(=O)=O ZINC000159951948 524776073 /nfs/dbraw/zinc/77/60/73/524776073.db2.gz JCXODCWDSUJPDN-MRXNPFEDSA-N 1 2 350.484 1.687 20 70 FDIDLO CC1(C)CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCS1(=O)=O ZINC000159951948 524776086 /nfs/dbraw/zinc/77/60/86/524776086.db2.gz JCXODCWDSUJPDN-MRXNPFEDSA-N 1 2 350.484 1.687 20 70 FDIDLO Cc1c(CNC(=O)NCc2ccc(N3CCO[C@H](C)C3)[nH+]c2)cnn1C ZINC000160168382 524823300 /nfs/dbraw/zinc/82/33/00/524823300.db2.gz GVWRIEDQECIGJA-CYBMUJFWSA-N 1 2 358.446 1.348 20 70 FDIDLO O=C(Nc1ccc(-n2cnnn2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160173522 524824353 /nfs/dbraw/zinc/82/43/53/524824353.db2.gz IKHKPYUOXDAOEQ-CQSZACIVSA-N 1 2 350.386 1.458 20 70 FDIDLO Cc1cccc([C@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCOCC2)c1 ZINC000160280418 524847995 /nfs/dbraw/zinc/84/79/95/524847995.db2.gz RWUVMEKOCPBHCZ-AZUAARDMSA-N 1 2 361.486 1.925 20 70 FDIDLO O=C(NCCNC(=O)c1cccnc1)N[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160291989 524851032 /nfs/dbraw/zinc/85/10/32/524851032.db2.gz SMLWKNINVYQPFB-MRXNPFEDSA-N 1 2 368.441 1.175 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1CCCCCCC1 ZINC000160493669 524901649 /nfs/dbraw/zinc/90/16/49/524901649.db2.gz SXMDICUQGCPFRR-UHFFFAOYSA-N 1 2 360.458 1.958 20 70 FDIDLO CC(C)[C@@H](CCO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160637941 524936093 /nfs/dbraw/zinc/93/60/93/524936093.db2.gz KTSIXEWKNCKPGU-CRAIPNDOSA-N 1 2 351.466 1.859 20 70 FDIDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@@H]3CCOC(C)(C)C3)nc2)CC1 ZINC000160668281 524942705 /nfs/dbraw/zinc/94/27/05/524942705.db2.gz FJZLZISAMYFBNS-CQSZACIVSA-N 1 2 368.503 1.387 20 70 FDIDLO C[C@@H](C[C@H]1CCCO1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160666936 524943541 /nfs/dbraw/zinc/94/35/41/524943541.db2.gz GSTAAAZOOQETJJ-DLBZAZTESA-N 1 2 374.485 1.584 20 70 FDIDLO CCCn1nccc1NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160785989 524971483 /nfs/dbraw/zinc/97/14/83/524971483.db2.gz WBCNCLLELNUWDN-UHFFFAOYSA-N 1 2 370.457 1.756 20 70 FDIDLO CC[C@@H](C)CS(=O)(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160813243 524975432 /nfs/dbraw/zinc/97/54/32/524975432.db2.gz IOTIJWJWBNNDPJ-HUUCEWRRSA-N 1 2 368.565 1.193 20 70 FDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N1CCN(Cc2ccccn2)CC1 ZINC000160943682 524999390 /nfs/dbraw/zinc/99/93/90/524999390.db2.gz YMWHRKGHKXVKCZ-SFHVURJKSA-N 1 2 366.469 1.583 20 70 FDIDLO COc1ccccc1[C@H]([NH3+])C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161006749 525014446 /nfs/dbraw/zinc/01/44/46/525014446.db2.gz FXRVBXHSBCJOLT-IBGZPJMESA-N 1 2 371.412 1.705 20 70 FDIDLO C[N@@H+]1CC[C@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342372 525084731 /nfs/dbraw/zinc/08/47/31/525084731.db2.gz LMZGHYMGNZCDRD-STQMWFEESA-N 1 2 354.813 1.541 20 70 FDIDLO C[N@H+]1CC[C@H](NC(=O)C2(NC(N)=O)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000161342372 525084742 /nfs/dbraw/zinc/08/47/42/525084742.db2.gz LMZGHYMGNZCDRD-STQMWFEESA-N 1 2 354.813 1.541 20 70 FDIDLO CN(C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@@H]1CCSC1 ZINC000161468829 525114748 /nfs/dbraw/zinc/11/47/48/525114748.db2.gz UNDJJAVXNRBQAD-CYBMUJFWSA-N 1 2 356.513 1.599 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1 ZINC001164730752 720485419 /nfs/dbraw/zinc/48/54/19/720485419.db2.gz VEEGTRSZUUXCLR-JKSUJKDBSA-N 1 2 362.430 1.988 20 70 FDIDLO O=S(=O)(F)c1ccnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1 ZINC001164730752 720485420 /nfs/dbraw/zinc/48/54/20/720485420.db2.gz VEEGTRSZUUXCLR-JKSUJKDBSA-N 1 2 362.430 1.988 20 70 FDIDLO CC[N@H+](CCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000218123493 178270218 /nfs/dbraw/zinc/27/02/18/178270218.db2.gz UFSCLVWSLUOZJS-HOTGVXAUSA-N 1 2 355.504 1.847 20 70 FDIDLO CC[N@@H+](CCCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000218123493 178270222 /nfs/dbraw/zinc/27/02/22/178270222.db2.gz UFSCLVWSLUOZJS-HOTGVXAUSA-N 1 2 355.504 1.847 20 70 FDIDLO C[C@H]1Cc2cc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000159369728 524653584 /nfs/dbraw/zinc/65/35/84/524653584.db2.gz CCXXKUPVLOZRLM-ZFWWWQNUSA-N 1 2 359.451 1.962 20 70 FDIDLO O=C(NCCc1cscn1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000159489578 524683146 /nfs/dbraw/zinc/68/31/46/524683146.db2.gz SLWQHBUAQBXBEL-UHFFFAOYSA-N 1 2 370.482 1.861 20 70 FDIDLO O[C@H](C[C@H]1COCC[N@H+]1C[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000159607797 524709138 /nfs/dbraw/zinc/70/91/38/524709138.db2.gz NPDWTURAHHUAFV-XYJFISCASA-N 1 2 365.401 1.983 20 70 FDIDLO O[C@H](C[C@H]1COCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1)c1ccco1 ZINC000159607797 524709145 /nfs/dbraw/zinc/70/91/45/524709145.db2.gz NPDWTURAHHUAFV-XYJFISCASA-N 1 2 365.401 1.983 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)c3cc4c(cccc4OC(F)F)[nH]3)C[C@@H]21 ZINC000159725976 524728249 /nfs/dbraw/zinc/72/82/49/524728249.db2.gz HOFYCWLOADISEP-DZGCQCFKSA-N 1 2 351.353 1.924 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)c3cc4c(cccc4OC(F)F)[nH]3)C[C@@H]21 ZINC000159725976 524728259 /nfs/dbraw/zinc/72/82/59/524728259.db2.gz HOFYCWLOADISEP-DZGCQCFKSA-N 1 2 351.353 1.924 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NCCc1cccc2cccnc21 ZINC000159882111 524760884 /nfs/dbraw/zinc/76/08/84/524760884.db2.gz RYJRZXKOROZXLY-UHFFFAOYSA-N 1 2 359.495 1.959 20 70 FDIDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159973134 524780328 /nfs/dbraw/zinc/78/03/28/524780328.db2.gz UVLVNADVNUNAPZ-NVXWUHKLSA-N 1 2 365.437 1.883 20 70 FDIDLO C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cn2)C[C@H](C)O1 ZINC000159989401 524783723 /nfs/dbraw/zinc/78/37/23/524783723.db2.gz DGMPOAKLUSXYLK-HLLBOEOZSA-N 1 2 369.469 1.771 20 70 FDIDLO CC(C)c1nc(N(CCO)CCOCC(F)(F)F)nc(N(C)C)[nH+]1 ZINC000160086206 524805410 /nfs/dbraw/zinc/80/54/10/524805410.db2.gz NMOZODWTCDQTTG-UHFFFAOYSA-N 1 2 351.373 1.439 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000160295269 524851782 /nfs/dbraw/zinc/85/17/82/524851782.db2.gz HCXFXRAHEIYPPL-QGZVFWFLSA-N 1 2 352.500 1.821 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000160295269 524851794 /nfs/dbraw/zinc/85/17/94/524851794.db2.gz HCXFXRAHEIYPPL-QGZVFWFLSA-N 1 2 352.500 1.821 20 70 FDIDLO C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000160345611 524861774 /nfs/dbraw/zinc/86/17/74/524861774.db2.gz BBJUOJMTLILKMJ-JKSUJKDBSA-N 1 2 360.458 1.052 20 70 FDIDLO CS(=O)(=O)c1csc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000160478702 524897988 /nfs/dbraw/zinc/89/79/88/524897988.db2.gz OYQPCYMUWPEQCW-UHFFFAOYSA-N 1 2 365.480 1.945 20 70 FDIDLO Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)c1 ZINC000160537071 524909799 /nfs/dbraw/zinc/90/97/99/524909799.db2.gz HKYOTNBNKPSRDY-CQSZACIVSA-N 1 2 362.455 1.335 20 70 FDIDLO NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000160914640 524995793 /nfs/dbraw/zinc/99/57/93/524995793.db2.gz VRLPDHMDULEYGF-CYBMUJFWSA-N 1 2 364.247 1.973 20 70 FDIDLO C[C@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[NH+]1CCOCC1 ZINC000161200372 525054753 /nfs/dbraw/zinc/05/47/53/525054753.db2.gz YDFJLUDUEMMING-GFCCVEGCSA-N 1 2 368.865 1.884 20 70 FDIDLO CNS(=O)(=O)c1cccc([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000161262430 525068219 /nfs/dbraw/zinc/06/82/19/525068219.db2.gz KHQVNOGZHBAKKQ-JSGCOSHPSA-N 1 2 362.455 1.231 20 70 FDIDLO Cc1cnn(Cc2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)no2)c1 ZINC000161460223 525114186 /nfs/dbraw/zinc/11/41/86/525114186.db2.gz ODTXHRHDSMMPDL-QGZVFWFLSA-N 1 2 361.446 1.314 20 70 FDIDLO COC(=O)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1cccc(C)c1 ZINC000161463421 525114296 /nfs/dbraw/zinc/11/42/96/525114296.db2.gz QKCQYQULNGHNCH-DLBZAZTESA-N 1 2 355.438 1.902 20 70 FDIDLO COc1ccc([C@@H](NC(=O)NCC[NH+]2CCOCC2)C(F)(F)F)cc1 ZINC000161496801 525119334 /nfs/dbraw/zinc/11/93/34/525119334.db2.gz YFABICPTTWXZPU-CQSZACIVSA-N 1 2 361.364 1.930 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nn1 ZINC001164727561 720446948 /nfs/dbraw/zinc/44/69/48/720446948.db2.gz DKKRAJMZOZEJLP-UONOGXRCSA-N 1 2 363.418 1.383 20 70 FDIDLO O=S(=O)(F)c1ccc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nn1 ZINC001164727561 720446957 /nfs/dbraw/zinc/44/69/57/720446957.db2.gz DKKRAJMZOZEJLP-UONOGXRCSA-N 1 2 363.418 1.383 20 70 FDIDLO CC(C)n1cc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cn1 ZINC000159442738 524670324 /nfs/dbraw/zinc/67/03/24/524670324.db2.gz VFDLXXGZRSGEGR-UHFFFAOYSA-N 1 2 358.508 1.443 20 70 FDIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000159479848 524680692 /nfs/dbraw/zinc/68/06/92/524680692.db2.gz XXQHXEFGHKEGJM-HIFRSBDPSA-N 1 2 370.519 1.165 20 70 FDIDLO COC(=O)CCn1c(=O)c2ccccc2nc1SCCn1cc[nH+]c1 ZINC000159736786 524729024 /nfs/dbraw/zinc/72/90/24/524729024.db2.gz PFTFISIZBKONRL-UHFFFAOYSA-N 1 2 358.423 1.948 20 70 FDIDLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2ccnc(Cl)c2F)CC1 ZINC000159748451 524730417 /nfs/dbraw/zinc/73/04/17/524730417.db2.gz HKKLFQSIDWSIAO-UHFFFAOYSA-N 1 2 370.856 1.890 20 70 FDIDLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2ccnc(Cl)c2F)CC1 ZINC000159748451 524730425 /nfs/dbraw/zinc/73/04/25/524730425.db2.gz HKKLFQSIDWSIAO-UHFFFAOYSA-N 1 2 370.856 1.890 20 70 FDIDLO C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000159774023 524738040 /nfs/dbraw/zinc/73/80/40/524738040.db2.gz OFCHBFTWOUTXSK-CQSZACIVSA-N 1 2 352.500 1.763 20 70 FDIDLO C[C@H](CNC(=O)CS(=O)(=O)C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000159774023 524738051 /nfs/dbraw/zinc/73/80/51/524738051.db2.gz OFCHBFTWOUTXSK-CQSZACIVSA-N 1 2 352.500 1.763 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCc1ccco1 ZINC000159813054 524743108 /nfs/dbraw/zinc/74/31/08/524743108.db2.gz TXNMAJBGJBAHQD-UHFFFAOYSA-N 1 2 358.398 1.117 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159980054 524779807 /nfs/dbraw/zinc/77/98/07/524779807.db2.gz MUPXPAJJJXXPGG-MNOVXSKESA-N 1 2 360.380 1.370 20 70 FDIDLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000160031686 524791718 /nfs/dbraw/zinc/79/17/18/524791718.db2.gz BMOMTDIMVGLOPC-OAQYLSRUSA-N 1 2 357.498 1.903 20 70 FDIDLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000160031686 524791729 /nfs/dbraw/zinc/79/17/29/524791729.db2.gz BMOMTDIMVGLOPC-OAQYLSRUSA-N 1 2 357.498 1.903 20 70 FDIDLO C[C@H](O)C[C@@H]1CCCN1C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000160107199 524808831 /nfs/dbraw/zinc/80/88/31/524808831.db2.gz NGJNHMDJBODRMQ-GJZGRUSLSA-N 1 2 368.499 1.397 20 70 FDIDLO CS(=O)(=O)c1csc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160137636 524817041 /nfs/dbraw/zinc/81/70/41/524817041.db2.gz AHOOSSHYMGLNDW-NSHDSACASA-N 1 2 351.453 1.555 20 70 FDIDLO Cc1conc1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000160150994 524821435 /nfs/dbraw/zinc/82/14/35/524821435.db2.gz QLVBKPIPJUBQPC-UHFFFAOYSA-N 1 2 357.414 1.869 20 70 FDIDLO CN(C)c1[nH+]cccc1CNC(=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000160247511 524841573 /nfs/dbraw/zinc/84/15/73/524841573.db2.gz PHAHFVXDCNPKBD-CYBMUJFWSA-N 1 2 360.380 1.992 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1ccccc1OC(F)F)C[NH+]1CCOCC1 ZINC000160362076 524868539 /nfs/dbraw/zinc/86/85/39/524868539.db2.gz NKWOJEZVZSPCTB-GFCCVEGCSA-N 1 2 364.414 1.535 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160376935 524872421 /nfs/dbraw/zinc/87/24/21/524872421.db2.gz OKMRLNVDXYAJDL-KRWDZBQOSA-N 1 2 367.515 1.727 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160376935 524872432 /nfs/dbraw/zinc/87/24/32/524872432.db2.gz OKMRLNVDXYAJDL-KRWDZBQOSA-N 1 2 367.515 1.727 20 70 FDIDLO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)c(C)c1C ZINC000160398633 524878297 /nfs/dbraw/zinc/87/82/97/524878297.db2.gz JYFQLRKEECXKBE-ZDUSSCGKSA-N 1 2 356.488 1.559 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000160428590 524887305 /nfs/dbraw/zinc/88/73/05/524887305.db2.gz WIIBPNDWMNLWFH-HOTGVXAUSA-N 1 2 351.491 1.393 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000160428590 524887312 /nfs/dbraw/zinc/88/73/12/524887312.db2.gz WIIBPNDWMNLWFH-HOTGVXAUSA-N 1 2 351.491 1.393 20 70 FDIDLO O=S(=O)(CC[NH+]1CCC(c2ccnn2CCO)CC1)c1ccccc1 ZINC000160557674 524917196 /nfs/dbraw/zinc/91/71/96/524917196.db2.gz YHSHEJHGXFFPOJ-UHFFFAOYSA-N 1 2 363.483 1.529 20 70 FDIDLO C[N@@H+]1CC[C@@H](NC(=O)NCCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700100 524952412 /nfs/dbraw/zinc/95/24/12/524952412.db2.gz KNKZUURSWVBBMR-SJORKVTESA-N 1 2 368.428 1.341 20 70 FDIDLO C[N@H+]1CC[C@@H](NC(=O)NCCN2CCOCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000160700100 524952423 /nfs/dbraw/zinc/95/24/23/524952423.db2.gz KNKZUURSWVBBMR-SJORKVTESA-N 1 2 368.428 1.341 20 70 FDIDLO CC[C@H](O)CCNC(=O)NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000160868107 524986031 /nfs/dbraw/zinc/98/60/31/524986031.db2.gz SVLIXUKDMZTDMB-KRWDZBQOSA-N 1 2 362.474 1.550 20 70 FDIDLO O=C(NCC[NH+]1CCOCC1)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 ZINC000160935753 525001106 /nfs/dbraw/zinc/00/11/06/525001106.db2.gz DKRHWIBPNYSDOG-HNNXBMFYSA-N 1 2 368.865 1.620 20 70 FDIDLO O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160951863 525002969 /nfs/dbraw/zinc/00/29/69/525002969.db2.gz SEPSVEJPGXSFPX-KSZLIROESA-N 1 2 356.470 1.866 20 70 FDIDLO CC(C)C[C@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161015078 525016667 /nfs/dbraw/zinc/01/66/67/525016667.db2.gz RHLKXLFBSXCZQD-CQSZACIVSA-N 1 2 356.488 1.159 20 70 FDIDLO O=C(NC1CC1)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161108136 525035089 /nfs/dbraw/zinc/03/50/89/525035089.db2.gz JOCYUZKQOFWMOB-NVXWUHKLSA-N 1 2 352.438 1.452 20 70 FDIDLO C[C@H](NC(=O)N1CCO[C@H](c2cccs2)C1)[C@H](C)[NH+]1CCOCC1 ZINC000161115928 525037977 /nfs/dbraw/zinc/03/79/77/525037977.db2.gz QZRXTRGPADLNLS-KKUMJFAQSA-N 1 2 353.488 1.940 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+](C)Cc1cccc(F)c1 ZINC000161134577 525039686 /nfs/dbraw/zinc/03/96/86/525039686.db2.gz TZIHDZFOGDHUNJ-UHFFFAOYSA-N 1 2 365.430 1.852 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+](C)Cc1cccc(F)c1 ZINC000161134577 525039701 /nfs/dbraw/zinc/03/97/01/525039701.db2.gz TZIHDZFOGDHUNJ-UHFFFAOYSA-N 1 2 365.430 1.852 20 70 FDIDLO C[C@@H](NC(=O)NCCOc1ncccc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000161114966 173731035 /nfs/dbraw/zinc/73/10/35/173731035.db2.gz TWWIWRXQESSBJR-CHWSQXEVSA-N 1 2 356.854 1.522 20 70 FDIDLO O=C(c1ccc(=O)[nH]c1)N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000159456962 524674080 /nfs/dbraw/zinc/67/40/80/524674080.db2.gz MUZXUCPMQXRMQF-MRXNPFEDSA-N 1 2 363.364 1.145 20 70 FDIDLO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000159464510 524676627 /nfs/dbraw/zinc/67/66/27/524676627.db2.gz AVEFQLZHWGXPPM-AWEZNQCLSA-N 1 2 362.449 1.835 20 70 FDIDLO Cc1cc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c[nH]c1=O ZINC000159559623 524697159 /nfs/dbraw/zinc/69/71/59/524697159.db2.gz QGTJPXPRGQLKGC-CQSZACIVSA-N 1 2 358.417 1.972 20 70 FDIDLO COCCOC[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159738104 524729261 /nfs/dbraw/zinc/72/92/61/524729261.db2.gz IZMWVTDVHVULPC-DOMZBBRYSA-N 1 2 371.275 1.960 20 70 FDIDLO COCCOC[C@@H]1CC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159738104 524729267 /nfs/dbraw/zinc/72/92/67/524729267.db2.gz IZMWVTDVHVULPC-DOMZBBRYSA-N 1 2 371.275 1.960 20 70 FDIDLO COC(=O)[C@@H](c1cccnc1)N1CC[NH+]([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000159837049 524748790 /nfs/dbraw/zinc/74/87/90/524748790.db2.gz LFEHJHMPQHBNKT-MAUKXSAKSA-N 1 2 374.485 1.361 20 70 FDIDLO COC(=O)C1CCC(NC(=O)N2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000160090228 524805867 /nfs/dbraw/zinc/80/58/67/524805867.db2.gz VQRDTQUEEGRZDT-UHFFFAOYSA-N 1 2 360.458 1.641 20 70 FDIDLO CCc1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)[nH]c(C)c1C(N)=O ZINC000160125876 524814727 /nfs/dbraw/zinc/81/47/27/524814727.db2.gz ABIPSTILQCJZEF-UHFFFAOYSA-N 1 2 355.442 1.337 20 70 FDIDLO CNC(=O)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000160135878 524817334 /nfs/dbraw/zinc/81/73/34/524817334.db2.gz LSZYLQKAQWRESK-OAHLLOKOSA-N 1 2 368.275 1.824 20 70 FDIDLO COc1c(C)cc(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000160373806 524871586 /nfs/dbraw/zinc/87/15/86/524871586.db2.gz YARRIWBJDQOITB-ZDUSSCGKSA-N 1 2 356.488 1.559 20 70 FDIDLO Cc1ccc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c2cccnc12 ZINC000160408760 524880057 /nfs/dbraw/zinc/88/00/57/524880057.db2.gz YWFCFBTXNVCYEA-CQSZACIVSA-N 1 2 363.483 1.790 20 70 FDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1C ZINC000160589569 524922262 /nfs/dbraw/zinc/92/22/62/524922262.db2.gz CKKGDBMRIVXRPU-KRWDZBQOSA-N 1 2 352.500 1.737 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1C ZINC000160589569 524922275 /nfs/dbraw/zinc/92/22/75/524922275.db2.gz CKKGDBMRIVXRPU-KRWDZBQOSA-N 1 2 352.500 1.737 20 70 FDIDLO C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000160585709 524923171 /nfs/dbraw/zinc/92/31/71/524923171.db2.gz LJPCRFJRGILWGY-KGLIPLIRSA-N 1 2 354.414 1.369 20 70 FDIDLO COc1ccc(Br)cc1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000160596918 524924081 /nfs/dbraw/zinc/92/40/81/524924081.db2.gz IFWDQITWSSMEKY-LLVKDONJSA-N 1 2 357.248 1.908 20 70 FDIDLO C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C[NH+]1CCN(c2ccccn2)CC1 ZINC000160594957 524925739 /nfs/dbraw/zinc/92/57/39/524925739.db2.gz WLCLDXOBFVBSKA-QGZVFWFLSA-N 1 2 368.481 1.999 20 70 FDIDLO CCCOc1cccc(CC(=O)N2CC[NH+](CC(=O)N3CCCC3)CC2)c1 ZINC000160665081 524941392 /nfs/dbraw/zinc/94/13/92/524941392.db2.gz PWQQYDFAMGHIJJ-UHFFFAOYSA-N 1 2 373.497 1.785 20 70 FDIDLO C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CC[NH+](Cc3cccc(O)c3)CC2)C1 ZINC000160784887 524969964 /nfs/dbraw/zinc/96/99/64/524969964.db2.gz YFXXAYXEXUTNKW-HOTGVXAUSA-N 1 2 367.515 1.733 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000160885511 524990138 /nfs/dbraw/zinc/99/01/38/524990138.db2.gz FCAYVXZCGOHWLS-UHFFFAOYSA-N 1 2 353.488 1.901 20 70 FDIDLO CC(C)N(C)C(=O)C[NH+]1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC000161057982 525024685 /nfs/dbraw/zinc/02/46/85/525024685.db2.gz USBBXLQDXXVWEC-UHFFFAOYSA-N 1 2 352.523 1.166 20 70 FDIDLO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161173898 525047245 /nfs/dbraw/zinc/04/72/45/525047245.db2.gz NJOUNNINIYMTNQ-OAHLLOKOSA-N 1 2 368.437 1.955 20 70 FDIDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161197531 525052800 /nfs/dbraw/zinc/05/28/00/525052800.db2.gz VTEQPFFQNCSUNJ-SJLPKXTDSA-N 1 2 373.501 1.604 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC(=O)Nc1ccccc1 ZINC000161214327 525055934 /nfs/dbraw/zinc/05/59/34/525055934.db2.gz BGFNYHIMOQIKAU-UHFFFAOYSA-N 1 2 353.426 1.548 20 70 FDIDLO COc1ccc([C@H](C)[N@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000161356264 525088202 /nfs/dbraw/zinc/08/82/02/525088202.db2.gz LXMFYWKTRYSCOI-NSHDSACASA-N 1 2 357.414 1.162 20 70 FDIDLO COc1ccc([C@H](C)[N@@H+](C)Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)cc1 ZINC000161356264 525088212 /nfs/dbraw/zinc/08/82/12/525088212.db2.gz LXMFYWKTRYSCOI-NSHDSACASA-N 1 2 357.414 1.162 20 70 FDIDLO C[N@@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159558480 524697490 /nfs/dbraw/zinc/69/74/90/524697490.db2.gz SMEDAQJWVRDCPA-RISCZKNCSA-N 1 2 353.373 1.857 20 70 FDIDLO C[N@H+](Cc1nnnn1-c1ccc(OC(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159558480 524697497 /nfs/dbraw/zinc/69/74/97/524697497.db2.gz SMEDAQJWVRDCPA-RISCZKNCSA-N 1 2 353.373 1.857 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@@H]21 ZINC000159684110 524721761 /nfs/dbraw/zinc/72/17/61/524721761.db2.gz SXYMBLHTRMTODJ-ZWKOTPCHSA-N 1 2 372.469 1.472 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@@H]21 ZINC000159684110 524721770 /nfs/dbraw/zinc/72/17/70/524721770.db2.gz SXYMBLHTRMTODJ-ZWKOTPCHSA-N 1 2 372.469 1.472 20 70 FDIDLO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000159713483 524725698 /nfs/dbraw/zinc/72/56/98/524725698.db2.gz MGORXBCVAYRRSD-HIFRSBDPSA-N 1 2 360.487 1.743 20 70 FDIDLO CCc1ccc([C@@H](C)CC(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000159822594 524746710 /nfs/dbraw/zinc/74/67/10/524746710.db2.gz KFZCMUZOSBKQEW-INIZCTEOSA-N 1 2 361.486 1.307 20 70 FDIDLO Cc1ccc2c(c1)c(=O)n(C)c1nnc(CSCC[NH+]3CCOCC3)n12 ZINC000159861122 524754502 /nfs/dbraw/zinc/75/45/02/524754502.db2.gz DJVWXMZFHXOVHF-UHFFFAOYSA-N 1 2 373.482 1.455 20 70 FDIDLO O=C(Cc1ccc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1)N1CCOCC1 ZINC000159901133 524765206 /nfs/dbraw/zinc/76/52/06/524765206.db2.gz XRPWWLQXDAPFJN-INIZCTEOSA-N 1 2 368.437 1.486 20 70 FDIDLO NC(=O)NC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000160065976 524801191 /nfs/dbraw/zinc/80/11/91/524801191.db2.gz GVKGBQJFXINSCH-UHFFFAOYSA-N 1 2 352.236 1.958 20 70 FDIDLO NC(=O)NC1CC[NH+](Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000160065976 524801199 /nfs/dbraw/zinc/80/11/99/524801199.db2.gz GVKGBQJFXINSCH-UHFFFAOYSA-N 1 2 352.236 1.958 20 70 FDIDLO CN(C)c1ccc(Br)c(S(=O)(=O)NCCn2cc[nH+]c2)c1 ZINC000160155484 524820690 /nfs/dbraw/zinc/82/06/90/524820690.db2.gz UFVLUKGTXPXYRR-UHFFFAOYSA-N 1 2 373.276 1.690 20 70 FDIDLO O=C(NCc1cccnc1-n1cc[nH+]c1)N1CCCN(CC(F)F)CC1 ZINC000160262322 524843033 /nfs/dbraw/zinc/84/30/33/524843033.db2.gz YQLBNAFMPPRGRB-UHFFFAOYSA-N 1 2 364.400 1.750 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)C[NH+]1CCOCC1 ZINC000160372248 524871208 /nfs/dbraw/zinc/87/12/08/524871208.db2.gz YCJBQUWQXSNXHX-HNNXBMFYSA-N 1 2 364.471 1.119 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000160377205 524871607 /nfs/dbraw/zinc/87/16/07/524871607.db2.gz ZLZOQLUZGPTTGM-JTQLQIEISA-N 1 2 368.286 1.635 20 70 FDIDLO COc1cc(C)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000160411227 524883345 /nfs/dbraw/zinc/88/33/45/524883345.db2.gz QUGDSTPQOPDHPS-CYBMUJFWSA-N 1 2 356.488 1.559 20 70 FDIDLO CC(C)S(=O)(=O)CCCN1CC[NH+](CCOc2ccccc2)CC1 ZINC000160550397 524913871 /nfs/dbraw/zinc/91/38/71/524913871.db2.gz VNWHTDRVODCMLB-UHFFFAOYSA-N 1 2 354.516 1.896 20 70 FDIDLO C[S@@](=O)c1ccc(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000160613787 524930341 /nfs/dbraw/zinc/93/03/41/524930341.db2.gz HHCCKHSQNODYSV-SANMLTNESA-N 1 2 372.494 1.846 20 70 FDIDLO CCc1c(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)[nH]c(C)c1C(N)=O ZINC000160948894 525001784 /nfs/dbraw/zinc/00/17/84/525001784.db2.gz JEHKFTZAAUCGQS-UHFFFAOYSA-N 1 2 355.442 1.910 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068121 525025937 /nfs/dbraw/zinc/02/59/37/525025937.db2.gz RFWRESCINMUUDE-STQMWFEESA-N 1 2 357.332 1.365 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068121 525025946 /nfs/dbraw/zinc/02/59/46/525025946.db2.gz RFWRESCINMUUDE-STQMWFEESA-N 1 2 357.332 1.365 20 70 FDIDLO C[C@H](NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1)C1CCOCC1 ZINC000161088550 525030330 /nfs/dbraw/zinc/03/03/30/525030330.db2.gz DOIROWKHONUBRV-ZDUSSCGKSA-N 1 2 356.426 1.957 20 70 FDIDLO O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)NOCc1cccnc1 ZINC000161082982 525030431 /nfs/dbraw/zinc/03/04/31/525030431.db2.gz YDBPQUYEASRCKK-GOSISDBHSA-N 1 2 356.426 1.886 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)NCCOc1ccc(Cl)cn1)[NH+]1CCOCC1 ZINC000161111306 525035905 /nfs/dbraw/zinc/03/59/05/525035905.db2.gz CLQZNQIDKNOLBA-QWHCGFSZSA-N 1 2 356.854 1.522 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000161148314 525044174 /nfs/dbraw/zinc/04/41/74/525044174.db2.gz GALKDNLERWDWFU-UHFFFAOYSA-N 1 2 350.466 1.784 20 70 FDIDLO O=C(C[NH+]1CCN(Cc2ccncc2)CC1)N1CCc2ccccc2C1 ZINC000161148314 525044183 /nfs/dbraw/zinc/04/41/83/525044183.db2.gz GALKDNLERWDWFU-UHFFFAOYSA-N 1 2 350.466 1.784 20 70 FDIDLO Cc1ccc(CCN(CC(F)(F)F)C(=O)CN2CC[NH2+]CC2=O)cc1 ZINC000161250516 525063519 /nfs/dbraw/zinc/06/35/19/525063519.db2.gz MTXLSDFVWAHTER-UHFFFAOYSA-N 1 2 357.376 1.360 20 70 FDIDLO O=C(Nc1cccnc1N1CCOCC1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161286345 525072692 /nfs/dbraw/zinc/07/26/92/525072692.db2.gz LJQUEGXKBAGIFO-HNNXBMFYSA-N 1 2 368.441 1.714 20 70 FDIDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccc(N2CCNC2=O)cc1 ZINC000161377612 525096274 /nfs/dbraw/zinc/09/62/74/525096274.db2.gz DLSOJVOMWXZZCG-HNNXBMFYSA-N 1 2 351.410 1.620 20 70 FDIDLO CC[C@H]1CN(C(=O)C(=O)Nc2c[nH+]ccc2OC)CCN1CC(F)F ZINC000161457180 525112419 /nfs/dbraw/zinc/11/24/19/525112419.db2.gz LMRSDNXNALQVQO-NSHDSACASA-N 1 2 356.373 1.217 20 70 FDIDLO COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000218103769 537458797 /nfs/dbraw/zinc/45/87/97/537458797.db2.gz VESPLTRWLJDOJE-CYBMUJFWSA-N 1 2 363.439 1.656 20 70 FDIDLO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218105468 537459852 /nfs/dbraw/zinc/45/98/52/537459852.db2.gz DUSAUEXJBWCVJE-AWEZNQCLSA-N 1 2 361.423 1.425 20 70 FDIDLO CCOC(=O)NCCCC(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000161039911 258263447 /nfs/dbraw/zinc/26/34/47/258263447.db2.gz ITQYBKIEYDSTTI-UHFFFAOYSA-N 1 2 362.474 1.899 20 70 FDIDLO Cc1nc(N2CCN(C(=O)Nc3ccnn3C[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000159481480 524680806 /nfs/dbraw/zinc/68/08/06/524680806.db2.gz GNNDQAJSOTZHQJ-HNNXBMFYSA-N 1 2 371.445 1.372 20 70 FDIDLO Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c[nH]c1=O ZINC000159559756 524698200 /nfs/dbraw/zinc/69/82/00/524698200.db2.gz QGTJPXPRGQLKGC-AWEZNQCLSA-N 1 2 358.417 1.972 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000159653696 524715731 /nfs/dbraw/zinc/71/57/31/524715731.db2.gz UNKOUDPHBNEGHW-JHJUWLLWSA-N 1 2 350.802 1.623 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)/C=C/c3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000159653696 524715736 /nfs/dbraw/zinc/71/57/36/524715736.db2.gz UNKOUDPHBNEGHW-JHJUWLLWSA-N 1 2 350.802 1.623 20 70 FDIDLO COc1c(C[NH2+][C@H](C(N)=O)c2cccc(Br)c2)c(C)nn1C ZINC000159752549 524733362 /nfs/dbraw/zinc/73/33/62/524733362.db2.gz FHQZIIWYVASXJB-ZDUSSCGKSA-N 1 2 367.247 1.816 20 70 FDIDLO C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000159955128 524775516 /nfs/dbraw/zinc/77/55/16/524775516.db2.gz LNSDXDFZXWNINA-ZIAGYGMSSA-N 1 2 362.474 1.680 20 70 FDIDLO C[C@H](NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000159955260 524775842 /nfs/dbraw/zinc/77/58/42/524775842.db2.gz LNSDXDFZXWNINA-KBPBESRZSA-N 1 2 362.474 1.680 20 70 FDIDLO C[C@@H](SCC[NH+]1CCOCC1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000159963241 524776748 /nfs/dbraw/zinc/77/67/48/524776748.db2.gz PENSYCIAGIROJY-LLVKDONJSA-N 1 2 350.444 1.249 20 70 FDIDLO O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160028921 524792641 /nfs/dbraw/zinc/79/26/41/524792641.db2.gz DLFBCALEZGMNIR-KRWDZBQOSA-N 1 2 365.499 1.481 20 70 FDIDLO O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000160028921 524792649 /nfs/dbraw/zinc/79/26/49/524792649.db2.gz DLFBCALEZGMNIR-KRWDZBQOSA-N 1 2 365.499 1.481 20 70 FDIDLO C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccs1)[NH+]1CCN(C)CC1 ZINC000160155560 524820261 /nfs/dbraw/zinc/82/02/61/524820261.db2.gz DDGNSINESHHYJI-CPUCHLNUSA-N 1 2 364.515 1.020 20 70 FDIDLO Cc1c(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cnn1C ZINC000160165423 524821653 /nfs/dbraw/zinc/82/16/53/524821653.db2.gz DYXVNCHMHXTGOA-ZIAGYGMSSA-N 1 2 372.473 1.737 20 70 FDIDLO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC1=O ZINC000160381359 524873716 /nfs/dbraw/zinc/87/37/16/524873716.db2.gz DYMYTSFTSHLAFD-HHXXYDBFSA-N 1 2 371.481 1.576 20 70 FDIDLO C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC1=O ZINC000160381359 524873721 /nfs/dbraw/zinc/87/37/21/524873721.db2.gz DYMYTSFTSHLAFD-HHXXYDBFSA-N 1 2 371.481 1.576 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc(F)c(Cl)c1)C[NH+]1CCOCC1 ZINC000160405307 524880249 /nfs/dbraw/zinc/88/02/49/524880249.db2.gz BSRUADMJGCZOTD-NSHDSACASA-N 1 2 350.843 1.726 20 70 FDIDLO C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707344 524953042 /nfs/dbraw/zinc/95/30/42/524953042.db2.gz FPHRYCQDKKEZNN-COLVAYQJSA-N 1 2 364.400 1.899 20 70 FDIDLO C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707344 524953044 /nfs/dbraw/zinc/95/30/44/524953044.db2.gz FPHRYCQDKKEZNN-COLVAYQJSA-N 1 2 364.400 1.899 20 70 FDIDLO O=C1[C@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccccc1OC(F)F ZINC000160725948 524958199 /nfs/dbraw/zinc/95/81/99/524958199.db2.gz HMKGYFSKAREWJH-CYBMUJFWSA-N 1 2 354.353 1.842 20 70 FDIDLO O=C1[C@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccccc1OC(F)F ZINC000160725948 524958212 /nfs/dbraw/zinc/95/82/12/524958212.db2.gz HMKGYFSKAREWJH-CYBMUJFWSA-N 1 2 354.353 1.842 20 70 FDIDLO Cc1ccc(-n2cnnn2)cc1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000160727471 524958952 /nfs/dbraw/zinc/95/89/52/524958952.db2.gz PKFSQADSNDCTAY-CQSZACIVSA-N 1 2 364.413 1.766 20 70 FDIDLO COc1ncc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1C(N)=O ZINC000160739481 524962289 /nfs/dbraw/zinc/96/22/89/524962289.db2.gz FLSGYFPJUGJWNB-LBPRGKRZSA-N 1 2 354.410 1.574 20 70 FDIDLO COc1ncc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1C(N)=O ZINC000160739481 524962300 /nfs/dbraw/zinc/96/23/00/524962300.db2.gz FLSGYFPJUGJWNB-LBPRGKRZSA-N 1 2 354.410 1.574 20 70 FDIDLO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)nc2)CC1 ZINC000160792183 524972785 /nfs/dbraw/zinc/97/27/85/524972785.db2.gz ALWGQLHHLGPJJZ-UHFFFAOYSA-N 1 2 363.425 1.871 20 70 FDIDLO CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160830652 524978882 /nfs/dbraw/zinc/97/88/82/524978882.db2.gz WJECNDJMMSBVDC-HUUCEWRRSA-N 1 2 365.449 1.794 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000161045673 525023355 /nfs/dbraw/zinc/02/33/55/525023355.db2.gz HBSAQAWLPJKQLV-UHFFFAOYSA-N 1 2 372.494 1.998 20 70 FDIDLO Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161095794 525033490 /nfs/dbraw/zinc/03/34/90/525033490.db2.gz IDIYYVYHPUCOIE-SFHVURJKSA-N 1 2 366.465 1.667 20 70 FDIDLO C[C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000161265983 525068809 /nfs/dbraw/zinc/06/88/09/525068809.db2.gz JLGFDMDPJPWBMM-XUWVNRHRSA-N 1 2 370.453 1.340 20 70 FDIDLO Cn1cnc(-c2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCOCC3)cc2)n1 ZINC000161375552 525096327 /nfs/dbraw/zinc/09/63/27/525096327.db2.gz YNAPNPLGIPRWOQ-QGZVFWFLSA-N 1 2 370.457 1.811 20 70 FDIDLO Cc1nc(CN2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000161449217 525110174 /nfs/dbraw/zinc/11/01/74/525110174.db2.gz JYMFWNNMJPWFHD-HNNXBMFYSA-N 1 2 359.499 1.945 20 70 FDIDLO COCC[NH+]1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 ZINC000161185484 258263625 /nfs/dbraw/zinc/26/36/25/258263625.db2.gz JMKYVNYPAZEQAG-UHFFFAOYSA-N 1 2 368.865 1.838 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000159471608 524677843 /nfs/dbraw/zinc/67/78/43/524677843.db2.gz DQYLJGBHSAJCSV-GJZGRUSLSA-N 1 2 367.515 1.885 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000159471608 524677849 /nfs/dbraw/zinc/67/78/49/524677849.db2.gz DQYLJGBHSAJCSV-GJZGRUSLSA-N 1 2 367.515 1.885 20 70 FDIDLO C[N@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)CC(C)(CO)CO ZINC000159572996 524699201 /nfs/dbraw/zinc/69/92/01/524699201.db2.gz FHPHUXKNUSRBGN-UHFFFAOYSA-N 1 2 350.488 1.575 20 70 FDIDLO C[N@@H+](Cc1nc2sc3c(c2c(N)n1)CCCC3)CC(C)(CO)CO ZINC000159572996 524699208 /nfs/dbraw/zinc/69/92/08/524699208.db2.gz FHPHUXKNUSRBGN-UHFFFAOYSA-N 1 2 350.488 1.575 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000159586476 524701610 /nfs/dbraw/zinc/70/16/10/524701610.db2.gz OOEPGWJLMCFBFI-UHFFFAOYSA-N 1 2 353.426 1.335 20 70 FDIDLO CCN(C(=O)C[N@H+](CCc1nccs1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000159790382 524738984 /nfs/dbraw/zinc/73/89/84/524738984.db2.gz YLESWPYSXCJTAN-CQSZACIVSA-N 1 2 373.544 1.432 20 70 FDIDLO CCN(C(=O)C[N@@H+](CCc1nccs1)C(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000159790382 524738991 /nfs/dbraw/zinc/73/89/91/524738991.db2.gz YLESWPYSXCJTAN-CQSZACIVSA-N 1 2 373.544 1.432 20 70 FDIDLO CCc1ccc([C@H](C)CC(=O)NCC(=O)NCC[NH+]2CCOCC2)cc1 ZINC000159822728 524747182 /nfs/dbraw/zinc/74/71/82/524747182.db2.gz KFZCMUZOSBKQEW-MRXNPFEDSA-N 1 2 361.486 1.307 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000160136490 524816425 /nfs/dbraw/zinc/81/64/25/524816425.db2.gz FBPYQLIHVMDMNP-ZDUSSCGKSA-N 1 2 360.439 1.046 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccccc1OC(F)F)C[NH+]1CCOCC1 ZINC000160361950 524869739 /nfs/dbraw/zinc/86/97/39/524869739.db2.gz NKWOJEZVZSPCTB-LBPRGKRZSA-N 1 2 364.414 1.535 20 70 FDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398549 524877618 /nfs/dbraw/zinc/87/76/18/524877618.db2.gz ZVYJDRVYOZGERH-GUYCJALGSA-N 1 2 365.380 1.437 20 70 FDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398549 524877628 /nfs/dbraw/zinc/87/76/28/524877628.db2.gz ZVYJDRVYOZGERH-GUYCJALGSA-N 1 2 365.380 1.437 20 70 FDIDLO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160416666 524883783 /nfs/dbraw/zinc/88/37/83/524883783.db2.gz UVMKZNFYNRAQES-GOSISDBHSA-N 1 2 362.445 1.853 20 70 FDIDLO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C1(c2ccc(F)cc2)CCOCC1 ZINC000160416666 524883791 /nfs/dbraw/zinc/88/37/91/524883791.db2.gz UVMKZNFYNRAQES-GOSISDBHSA-N 1 2 362.445 1.853 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1 ZINC000160601111 524924303 /nfs/dbraw/zinc/92/43/03/524924303.db2.gz UJOHBQDTGYCEGI-OAHLLOKOSA-N 1 2 361.486 1.799 20 70 FDIDLO C[C@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCOCC1 ZINC000160752793 524964195 /nfs/dbraw/zinc/96/41/95/524964195.db2.gz WNAIRTDARQSTAQ-INIZCTEOSA-N 1 2 374.485 1.442 20 70 FDIDLO CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160830751 524978380 /nfs/dbraw/zinc/97/83/80/524978380.db2.gz WJECNDJMMSBVDC-LSDHHAIUSA-N 1 2 365.449 1.794 20 70 FDIDLO COCCCOc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000161037454 525020879 /nfs/dbraw/zinc/02/08/79/525020879.db2.gz RUNKVNHZDJUCEU-LJQANCHMSA-N 1 2 362.470 1.925 20 70 FDIDLO C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC[C@@H]1C ZINC000161378274 525096620 /nfs/dbraw/zinc/09/66/20/525096620.db2.gz VMVFNRBTXUUALH-IRXDYDNUSA-N 1 2 373.501 1.808 20 70 FDIDLO CC[C@@H](C)OCC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000161449930 525109684 /nfs/dbraw/zinc/10/96/84/525109684.db2.gz GGXJCEVYYNKLIK-MRXNPFEDSA-N 1 2 350.459 1.829 20 70 FDIDLO COc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000218103996 537459565 /nfs/dbraw/zinc/45/95/65/537459565.db2.gz OVRVDAPWNVJFLH-CYBMUJFWSA-N 1 2 363.439 1.656 20 70 FDIDLO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000159373570 524655346 /nfs/dbraw/zinc/65/53/46/524655346.db2.gz CSVLHWGCCUMEIH-AWEZNQCLSA-N 1 2 356.426 1.941 20 70 FDIDLO COc1ccccc1S(=O)(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000159483901 524680570 /nfs/dbraw/zinc/68/05/70/524680570.db2.gz JQEURDFVXMQXDV-UHFFFAOYSA-N 1 2 356.488 1.674 20 70 FDIDLO CNC(=O)[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000159554702 524695528 /nfs/dbraw/zinc/69/55/28/524695528.db2.gz KUEHIUYCJWLDRE-OAHLLOKOSA-N 1 2 359.405 1.469 20 70 FDIDLO CNC(=O)[C@H]1CCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000159554702 524695536 /nfs/dbraw/zinc/69/55/36/524695536.db2.gz KUEHIUYCJWLDRE-OAHLLOKOSA-N 1 2 359.405 1.469 20 70 FDIDLO NC(=O)[C@H](c1cccc(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000159683722 524720887 /nfs/dbraw/zinc/72/08/87/524720887.db2.gz GMPONDULANWIBV-GJZGRUSLSA-N 1 2 368.275 1.382 20 70 FDIDLO C[N@@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[C@@H]1O ZINC000159724532 524727745 /nfs/dbraw/zinc/72/77/45/524727745.db2.gz YYBGXAFQSDJURL-OIISXLGYSA-N 1 2 372.531 1.038 20 70 FDIDLO C[N@H+](CC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[C@@H]1O ZINC000159724532 524727750 /nfs/dbraw/zinc/72/77/50/524727750.db2.gz YYBGXAFQSDJURL-OIISXLGYSA-N 1 2 372.531 1.038 20 70 FDIDLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159932808 524771774 /nfs/dbraw/zinc/77/17/74/524771774.db2.gz OFQDIJOASQLPCN-ZDUSSCGKSA-N 1 2 351.520 1.969 20 70 FDIDLO CCn1c2nnc(CSCC[NH+]3CCOCC3)n2c2ccccc2c1=O ZINC000159975694 524779848 /nfs/dbraw/zinc/77/98/48/524779848.db2.gz DDJDYMJVBLSNIX-UHFFFAOYSA-N 1 2 373.482 1.630 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)Nc1ccnn1Cc1cccs1 ZINC000159976651 524781189 /nfs/dbraw/zinc/78/11/89/524781189.db2.gz RPCMLAYVXKOSEG-UHFFFAOYSA-N 1 2 366.512 1.997 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000160040973 524794674 /nfs/dbraw/zinc/79/46/74/524794674.db2.gz PHITYJDFHLIJOG-UHFFFAOYSA-N 1 2 357.414 1.796 20 70 FDIDLO O=C(NCCc1cn2ccccc2[nH+]1)N1CCCN(CC(F)F)CC1 ZINC000160097793 524806927 /nfs/dbraw/zinc/80/69/27/524806927.db2.gz UFPBJRHCWLDPNI-UHFFFAOYSA-N 1 2 351.401 1.859 20 70 FDIDLO Cn1cc(N2CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)CC2)cn1 ZINC000160131461 524816728 /nfs/dbraw/zinc/81/67/28/524816728.db2.gz YEGCEKACCASGQM-SFHVURJKSA-N 1 2 357.433 1.877 20 70 FDIDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)NCC1(CCO)CCC1)CC2 ZINC000160140165 524818569 /nfs/dbraw/zinc/81/85/69/524818569.db2.gz HMGRGTBFVAXSOY-UHFFFAOYSA-N 1 2 362.470 1.731 20 70 FDIDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)NCC1(CCO)CCC1)CC2 ZINC000160140165 524818574 /nfs/dbraw/zinc/81/85/74/524818574.db2.gz HMGRGTBFVAXSOY-UHFFFAOYSA-N 1 2 362.470 1.731 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160169306 524822948 /nfs/dbraw/zinc/82/29/48/524822948.db2.gz LOIIWHVAAROFIG-INIZCTEOSA-N 1 2 352.500 1.981 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000160169306 524822959 /nfs/dbraw/zinc/82/29/59/524822959.db2.gz LOIIWHVAAROFIG-INIZCTEOSA-N 1 2 352.500 1.981 20 70 FDIDLO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000160270351 524845769 /nfs/dbraw/zinc/84/57/69/524845769.db2.gz LNTJYMDUVYDYJQ-UHFFFAOYSA-N 1 2 369.897 1.433 20 70 FDIDLO CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[N@@H+](CC(=O)N(C)C)CC1 ZINC000160270351 524845779 /nfs/dbraw/zinc/84/57/79/524845779.db2.gz LNTJYMDUVYDYJQ-UHFFFAOYSA-N 1 2 369.897 1.433 20 70 FDIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000160296911 524852189 /nfs/dbraw/zinc/85/21/89/524852189.db2.gz YFWYGWCSZLZQMH-IRXDYDNUSA-N 1 2 373.501 1.698 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1c(F)cc(F)cc1F)C[NH+]1CCOCC1 ZINC000160378779 524872465 /nfs/dbraw/zinc/87/24/65/524872465.db2.gz SFMZZHYJHXZQBK-SNVBAGLBSA-N 1 2 352.378 1.351 20 70 FDIDLO Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160392733 524877077 /nfs/dbraw/zinc/87/70/77/524877077.db2.gz WLGOAGIUBZWHSR-HNNXBMFYSA-N 1 2 370.501 1.890 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C[NH+]1CCOCC1 ZINC000160398249 524879140 /nfs/dbraw/zinc/87/91/40/524879140.db2.gz DARCPEIKQRBKBJ-UONOGXRCSA-N 1 2 354.472 1.257 20 70 FDIDLO CC[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160479632 524897554 /nfs/dbraw/zinc/89/75/54/524897554.db2.gz HQQRPOKBIAUPBJ-OAHLLOKOSA-N 1 2 360.458 1.956 20 70 FDIDLO CNC(=O)c1cccc(CNC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)c1 ZINC000160478382 524898667 /nfs/dbraw/zinc/89/86/67/524898667.db2.gz FNZJETSTVDMYEE-QGZVFWFLSA-N 1 2 367.453 1.909 20 70 FDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(C)oc2ccccc21 ZINC000160600629 524926134 /nfs/dbraw/zinc/92/61/34/524926134.db2.gz QGVKWPFQLOZSRO-AWEZNQCLSA-N 1 2 364.467 1.866 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1c(C)oc2ccccc21 ZINC000160600629 524926147 /nfs/dbraw/zinc/92/61/47/524926147.db2.gz QGVKWPFQLOZSRO-AWEZNQCLSA-N 1 2 364.467 1.866 20 70 FDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)Nc2ccn(CC(F)(F)F)n2)CC1 ZINC000160728717 524958562 /nfs/dbraw/zinc/95/85/62/524958562.db2.gz VYJFDNNBKYHESJ-UHFFFAOYSA-N 1 2 371.367 1.529 20 70 FDIDLO CCOc1ccc(NC(=O)CN2CCN(C(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000160917086 524996550 /nfs/dbraw/zinc/99/65/50/524996550.db2.gz FAAIJIDLFRFIPW-UHFFFAOYSA-N 1 2 371.441 1.065 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068308 525025818 /nfs/dbraw/zinc/02/58/18/525025818.db2.gz RFWRESCINMUUDE-OLZOCXBDSA-N 1 2 357.332 1.365 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCNC1=O ZINC000161068308 525025825 /nfs/dbraw/zinc/02/58/25/525025825.db2.gz RFWRESCINMUUDE-OLZOCXBDSA-N 1 2 357.332 1.365 20 70 FDIDLO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nccs1 ZINC000161079423 525027903 /nfs/dbraw/zinc/02/79/03/525027903.db2.gz GNBYVKSBNDTXRG-MFKMUULPSA-N 1 2 368.484 1.858 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094476 525032963 /nfs/dbraw/zinc/03/29/63/525032963.db2.gz SAODERZDCKYCQH-CABCVRRESA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094476 525032968 /nfs/dbraw/zinc/03/29/68/525032968.db2.gz SAODERZDCKYCQH-CABCVRRESA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(NC1CC1)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161108258 525036029 /nfs/dbraw/zinc/03/60/29/525036029.db2.gz JOCYUZKQOFWMOB-RDJZCZTQSA-N 1 2 352.438 1.452 20 70 FDIDLO O=C(CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Nc1ccc(-n2cccn2)cc1 ZINC000161134234 525040167 /nfs/dbraw/zinc/04/01/67/525040167.db2.gz YNTSTQBSZGNOCE-AWEZNQCLSA-N 1 2 364.409 1.386 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161159457 525046359 /nfs/dbraw/zinc/04/63/59/525046359.db2.gz ZILGENYSSMCHMH-UHFFFAOYSA-N 1 2 367.453 1.331 20 70 FDIDLO C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161402312 525100977 /nfs/dbraw/zinc/10/09/77/525100977.db2.gz CLLLSPWXGBDTMB-HOTGVXAUSA-N 1 2 373.501 1.037 20 70 FDIDLO CS(=O)(=O)c1csc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000159717803 173687043 /nfs/dbraw/zinc/68/70/43/173687043.db2.gz LLLUVPPQBVSPML-UHFFFAOYSA-N 1 2 353.469 1.657 20 70 FDIDLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCC4(CCC4)C3)c2)CC1 ZINC000159373291 524656501 /nfs/dbraw/zinc/65/65/01/524656501.db2.gz ITRWIWNPVUKGAQ-UHFFFAOYSA-N 1 2 370.497 1.775 20 70 FDIDLO Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H](O)COCC3CC3)cn2c1 ZINC000159403790 524661550 /nfs/dbraw/zinc/66/15/50/524661550.db2.gz DHAPXKPSXYGJMU-MRXNPFEDSA-N 1 2 363.483 1.780 20 70 FDIDLO O=C(CNC(=O)CC1CCCC1)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000159597066 524707108 /nfs/dbraw/zinc/70/71/08/524707108.db2.gz BITJRFCFQINPSF-IBGZPJMESA-N 1 2 373.497 1.873 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)c(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000159717194 524724686 /nfs/dbraw/zinc/72/46/86/524724686.db2.gz XLHIRDBFVDJCOK-UHFFFAOYSA-N 1 2 362.455 1.148 20 70 FDIDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783825 524736946 /nfs/dbraw/zinc/73/69/46/524736946.db2.gz CFVKYKGSVJIEML-PBHICJAKSA-N 1 2 367.515 1.218 20 70 FDIDLO C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783825 524736955 /nfs/dbraw/zinc/73/69/55/524736955.db2.gz CFVKYKGSVJIEML-PBHICJAKSA-N 1 2 367.515 1.218 20 70 FDIDLO O=C(NCCCOC[C@@H]1CCCO1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000159981430 524780132 /nfs/dbraw/zinc/78/01/32/524780132.db2.gz OCHBWKVBJVLAIB-IRXDYDNUSA-N 1 2 362.474 1.935 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)N1CCN(Cc2ccccn2)CC1)[NH+]1CCOCC1 ZINC000160077332 524803783 /nfs/dbraw/zinc/80/37/83/524803783.db2.gz VTNVKTFVCDBSSI-DLBZAZTESA-N 1 2 361.490 1.018 20 70 FDIDLO Cc1ccc([C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)N2CCOCC2)cc1 ZINC000160148112 524818531 /nfs/dbraw/zinc/81/85/31/524818531.db2.gz JEJPLNRKUNFWEU-OALUTQOASA-N 1 2 368.481 1.944 20 70 FDIDLO COCCC[N@H+](Cc1c(C)nc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000160285066 524849088 /nfs/dbraw/zinc/84/90/88/524849088.db2.gz RHZNJPNTEHVESC-HNNXBMFYSA-N 1 2 351.472 1.668 20 70 FDIDLO COCCC[N@@H+](Cc1c(C)nc2ccccn21)[C@H]1CCS(=O)(=O)C1 ZINC000160285066 524849097 /nfs/dbraw/zinc/84/90/97/524849097.db2.gz RHZNJPNTEHVESC-HNNXBMFYSA-N 1 2 351.472 1.668 20 70 FDIDLO O=C(Nc1cccnc1-c1ccccc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000160348730 524864248 /nfs/dbraw/zinc/86/42/48/524864248.db2.gz XJNBKVUFPPXZGJ-UHFFFAOYSA-N 1 2 350.422 1.994 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc2c(c1)CCCC2)C[NH+]1CCOCC1 ZINC000160413196 524883169 /nfs/dbraw/zinc/88/31/69/524883169.db2.gz LJNMNGHXGXPEBP-HNNXBMFYSA-N 1 2 352.500 1.812 20 70 FDIDLO Cc1cc(-n2c(C)cc(C(=O)NC[C@H]3C[N@@H+](C4CC4)CCO3)c2C)no1 ZINC000160430924 524888384 /nfs/dbraw/zinc/88/83/84/524888384.db2.gz GBKHSOBWBUYRDI-INIZCTEOSA-N 1 2 358.442 1.984 20 70 FDIDLO Cc1cc(-n2c(C)cc(C(=O)NC[C@H]3C[N@H+](C4CC4)CCO3)c2C)no1 ZINC000160430924 524888393 /nfs/dbraw/zinc/88/83/93/524888393.db2.gz GBKHSOBWBUYRDI-INIZCTEOSA-N 1 2 358.442 1.984 20 70 FDIDLO CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000160494526 524902489 /nfs/dbraw/zinc/90/24/89/524902489.db2.gz KWOLTPZPWRXBFH-UHFFFAOYSA-N 1 2 360.458 1.814 20 70 FDIDLO CC(C)S(=O)(=O)CCCN1CCN(Cc2cn3ccccc3[nH+]2)CC1 ZINC000160597925 524925007 /nfs/dbraw/zinc/92/50/07/524925007.db2.gz ISYBGFQQIKJJLV-UHFFFAOYSA-N 1 2 364.515 1.665 20 70 FDIDLO CCc1c(C(=O)N2CC[NH+](Cc3cccnc3)CC2)[nH]c(C)c1C(N)=O ZINC000160620317 524930793 /nfs/dbraw/zinc/93/07/93/524930793.db2.gz KALMMEGTLFXVEA-UHFFFAOYSA-N 1 2 355.442 1.337 20 70 FDIDLO C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](CC(C)(C)O)CC3)ccc2O1 ZINC000160822668 524976459 /nfs/dbraw/zinc/97/64/59/524976459.db2.gz SGHLJRARZHYDTR-ZDUSSCGKSA-N 1 2 354.472 1.087 20 70 FDIDLO COc1ccc(-c2n[nH]cc2C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000161033786 525021004 /nfs/dbraw/zinc/02/10/04/525021004.db2.gz QJEBNOPUIJAUAX-GOSISDBHSA-N 1 2 370.453 1.909 20 70 FDIDLO Cc1noc([C@H]2COCCN2C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000161037541 525021519 /nfs/dbraw/zinc/02/15/19/525021519.db2.gz OOMQIHIHZBNQFQ-MAUKXSAKSA-N 1 2 371.441 1.779 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCCc1ccc(F)cc1 ZINC000161157547 525044965 /nfs/dbraw/zinc/04/49/65/525044965.db2.gz UDXKYOFDQNXYMG-UHFFFAOYSA-N 1 2 356.445 1.697 20 70 FDIDLO Cc1ccc(F)c(OCC(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000161241423 525062996 /nfs/dbraw/zinc/06/29/96/525062996.db2.gz VFEWXNFTTXVUCS-GOSISDBHSA-N 1 2 368.474 1.837 20 70 FDIDLO CSc1nc(C)c(CCC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c(=O)[nH]1 ZINC000161344376 525085194 /nfs/dbraw/zinc/08/51/94/525085194.db2.gz GFLXNOQMEKIWDB-ZDUSSCGKSA-N 1 2 373.482 1.523 20 70 FDIDLO CCC[C@H](C(=O)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1)[NH+](C)C ZINC000159464975 524676126 /nfs/dbraw/zinc/67/61/26/524676126.db2.gz NCLKWBFSSCWVDV-OAHLLOKOSA-N 1 2 365.478 1.366 20 70 FDIDLO NC(=O)NC(=O)C1CCC(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000159554118 524695463 /nfs/dbraw/zinc/69/54/63/524695463.db2.gz BOLLHHQDRZAHBB-UHFFFAOYSA-N 1 2 369.425 1.415 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc4ccccc43)C[C@@H]21 ZINC000159707074 524725067 /nfs/dbraw/zinc/72/50/67/524725067.db2.gz IICAFQJIUJHLJA-RBUKOAKNSA-N 1 2 367.449 1.040 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)Cc3cccc4ccccc43)C[C@@H]21 ZINC000159707074 524725072 /nfs/dbraw/zinc/72/50/72/524725072.db2.gz IICAFQJIUJHLJA-RBUKOAKNSA-N 1 2 367.449 1.040 20 70 FDIDLO O=C(NCCn1cc[nH+]c1)C(=O)Nc1ccc2c(c1)ncn2-c1ccccc1 ZINC000159811282 524743197 /nfs/dbraw/zinc/74/31/97/524743197.db2.gz KMBLTJZBCHRYLK-UHFFFAOYSA-N 1 2 374.404 1.977 20 70 FDIDLO CCOCc1ccc(CNC(=O)CSCC[NH+]2CCOCC2)cc1 ZINC000159897466 524762482 /nfs/dbraw/zinc/76/24/82/524762482.db2.gz CDMJHTTUWJKXBH-UHFFFAOYSA-N 1 2 352.500 1.905 20 70 FDIDLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nc(C(C)(C)C)ns2)CC1 ZINC000159932937 524770396 /nfs/dbraw/zinc/77/03/96/524770396.db2.gz OFQDIJOASQLPCN-CYBMUJFWSA-N 1 2 351.520 1.969 20 70 FDIDLO Cc1ccc(C(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000159930183 524771498 /nfs/dbraw/zinc/77/14/98/524771498.db2.gz XTJYQWFSRJPRRV-KRWDZBQOSA-N 1 2 352.438 1.739 20 70 FDIDLO CN(C)C(=O)COc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000160101322 524807434 /nfs/dbraw/zinc/80/74/34/524807434.db2.gz QFXXMFCATUYBTN-OAHLLOKOSA-N 1 2 356.426 1.229 20 70 FDIDLO C[C@H](CNC(=O)CCN1c2ccccc2CCC1=O)[NH+]1CCN(C)CC1 ZINC000160155011 524820779 /nfs/dbraw/zinc/82/07/79/524820779.db2.gz BYHQWKNRRVYRLL-MRXNPFEDSA-N 1 2 358.486 1.108 20 70 FDIDLO CCc1nc(CN[C@@]2(C(=O)OC)CCC[N@H+](Cc3ccccc3)C2)n[nH]1 ZINC000160206379 524831930 /nfs/dbraw/zinc/83/19/30/524831930.db2.gz YGLGMQPBZXXZMA-IBGZPJMESA-N 1 2 357.458 1.665 20 70 FDIDLO CCc1nc(CN[C@@]2(C(=O)OC)CCC[N@@H+](Cc3ccccc3)C2)n[nH]1 ZINC000160206379 524831940 /nfs/dbraw/zinc/83/19/40/524831940.db2.gz YGLGMQPBZXXZMA-IBGZPJMESA-N 1 2 357.458 1.665 20 70 FDIDLO CN(C(=O)C[NH+]1CCN(c2ccccn2)CC1)c1ccc2c(c1)OCO2 ZINC000160278875 524847287 /nfs/dbraw/zinc/84/72/87/524847287.db2.gz ORXADWGHYRNWOB-UHFFFAOYSA-N 1 2 354.410 1.595 20 70 FDIDLO COC[C@@H](C)S(=O)(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000160356913 524867265 /nfs/dbraw/zinc/86/72/65/524867265.db2.gz UAVISYYZTZHNPN-MRXNPFEDSA-N 1 2 355.504 1.105 20 70 FDIDLO C[NH+]1CCN(S(=O)(=O)c2ccc(N[C@H]3CCOC(C)(C)C3)nc2)CC1 ZINC000160668419 524943575 /nfs/dbraw/zinc/94/35/75/524943575.db2.gz FJZLZISAMYFBNS-AWEZNQCLSA-N 1 2 368.503 1.387 20 70 FDIDLO C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707621 524954556 /nfs/dbraw/zinc/95/45/56/524954556.db2.gz FPHRYCQDKKEZNN-NZVBXONLSA-N 1 2 364.400 1.899 20 70 FDIDLO C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707621 524954568 /nfs/dbraw/zinc/95/45/68/524954568.db2.gz FPHRYCQDKKEZNN-NZVBXONLSA-N 1 2 364.400 1.899 20 70 FDIDLO CCC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161093861 525032499 /nfs/dbraw/zinc/03/24/99/525032499.db2.gz VWBAWDRTLAEWBB-OAHLLOKOSA-N 1 2 371.503 1.462 20 70 FDIDLO CCC[N@@H+](Cc1c(C)nn(CCC(=O)OC)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000161093861 525032510 /nfs/dbraw/zinc/03/25/10/525032510.db2.gz VWBAWDRTLAEWBB-OAHLLOKOSA-N 1 2 371.503 1.462 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)[NH+]1CCOCC1 ZINC000161113160 525036232 /nfs/dbraw/zinc/03/62/32/525036232.db2.gz WTKIPCLIEWTDNY-HRCADAONSA-N 1 2 372.473 1.737 20 70 FDIDLO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000161165314 525047067 /nfs/dbraw/zinc/04/70/67/525047067.db2.gz SNNPPTSEMLSADV-AWEZNQCLSA-N 1 2 356.401 1.892 20 70 FDIDLO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(=O)Nc1ccc(F)nc1 ZINC000161165314 525047070 /nfs/dbraw/zinc/04/70/70/525047070.db2.gz SNNPPTSEMLSADV-AWEZNQCLSA-N 1 2 356.401 1.892 20 70 FDIDLO CNC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161338653 525084643 /nfs/dbraw/zinc/08/46/43/525084643.db2.gz UTCNGMBDBVYUNU-JEJOPICUSA-N 1 2 350.422 1.850 20 70 FDIDLO Cc1cnccc1CCNC(=O)NCC[NH+]1CCN(C(=O)C2CCC2)CC1 ZINC000161411756 525103203 /nfs/dbraw/zinc/10/32/03/525103203.db2.gz DKEXZAOCAMJABS-UHFFFAOYSA-N 1 2 373.501 1.176 20 70 FDIDLO COc1ccc([C@H](NC(=O)NCC[NH+]2CCOCC2)C(F)(F)F)cc1 ZINC000161496673 525119180 /nfs/dbraw/zinc/11/91/80/525119180.db2.gz YFABICPTTWXZPU-AWEZNQCLSA-N 1 2 361.364 1.930 20 70 FDIDLO COc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1OC ZINC000218104085 537458727 /nfs/dbraw/zinc/45/87/27/537458727.db2.gz OVRVDAPWNVJFLH-ZDUSSCGKSA-N 1 2 363.439 1.656 20 70 FDIDLO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000160207671 173702455 /nfs/dbraw/zinc/70/24/55/173702455.db2.gz GJBZTLMQKBUNPI-IMJJTQAJSA-N 1 2 361.511 1.971 20 70 FDIDLO CCN1CC[NH+]([C@@H]2CCN(C(=O)Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000216970616 258395326 /nfs/dbraw/zinc/39/53/26/258395326.db2.gz RFPRMMZLZXKHKU-HXUWFJFHSA-N 1 2 367.497 1.653 20 70 FDIDLO Cc1nn(C)c2ncc(S(=O)(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc12 ZINC000159372271 524655981 /nfs/dbraw/zinc/65/59/81/524655981.db2.gz HVLUKKAVUJFMOO-ZDUSSCGKSA-N 1 2 372.454 1.229 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)N(C)C1CCCCC1 ZINC000159466013 524677059 /nfs/dbraw/zinc/67/70/59/524677059.db2.gz BIIMDRXYGUBSGI-UHFFFAOYSA-N 1 2 361.552 1.786 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000159471741 524679095 /nfs/dbraw/zinc/67/90/95/524679095.db2.gz DQYLJGBHSAJCSV-CABCVRRESA-N 1 2 367.515 1.885 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000159471741 524679104 /nfs/dbraw/zinc/67/91/04/524679104.db2.gz DQYLJGBHSAJCSV-CABCVRRESA-N 1 2 367.515 1.885 20 70 FDIDLO C[N@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC(C)(CO)CO ZINC000159532460 524690265 /nfs/dbraw/zinc/69/02/65/524690265.db2.gz NDXJGGPUWUPADN-UHFFFAOYSA-N 1 2 363.483 1.747 20 70 FDIDLO C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)CC(C)(CO)CO ZINC000159532460 524690275 /nfs/dbraw/zinc/69/02/75/524690275.db2.gz NDXJGGPUWUPADN-UHFFFAOYSA-N 1 2 363.483 1.747 20 70 FDIDLO Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)c(Br)c1 ZINC000159536116 524693773 /nfs/dbraw/zinc/69/37/73/524693773.db2.gz QWHBOMHEOTVFPC-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(CO)CO)c(Br)c1 ZINC000159536116 524693782 /nfs/dbraw/zinc/69/37/82/524693782.db2.gz QWHBOMHEOTVFPC-UHFFFAOYSA-N 1 2 359.264 1.619 20 70 FDIDLO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CS(=O)(=O)C(C)(C)C)CC1 ZINC000159587571 524701995 /nfs/dbraw/zinc/70/19/95/524701995.db2.gz DHCJJLBWMXTDPD-CQSZACIVSA-N 1 2 367.515 1.937 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000159672913 524719634 /nfs/dbraw/zinc/71/96/34/524719634.db2.gz PXKGCFVZOCYAPQ-KBPBESRZSA-N 1 2 372.252 1.265 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000159672913 524719642 /nfs/dbraw/zinc/71/96/42/524719642.db2.gz PXKGCFVZOCYAPQ-KBPBESRZSA-N 1 2 372.252 1.265 20 70 FDIDLO CN(Cc1[nH+]ccn1Cc1ccccc1)c1ncccc1S(N)(=O)=O ZINC000159722358 524727472 /nfs/dbraw/zinc/72/74/72/524727472.db2.gz GOQJAUMXMQPGED-UHFFFAOYSA-N 1 2 357.439 1.610 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1cccs1 ZINC000159768985 524734211 /nfs/dbraw/zinc/73/42/11/524734211.db2.gz MVWQUDSNUMEZGH-UHFFFAOYSA-N 1 2 360.439 1.543 20 70 FDIDLO Cc1cccc(OCCNC(=O)[C@H](C)SCC[NH+]2CCOCC2)c1 ZINC000159783044 524738156 /nfs/dbraw/zinc/73/81/56/524738156.db2.gz LOHGYWFGZHMWFJ-INIZCTEOSA-N 1 2 352.500 1.944 20 70 FDIDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000159973278 524780515 /nfs/dbraw/zinc/78/05/15/524780515.db2.gz UVLVNADVNUNAPZ-WBVHZDCISA-N 1 2 365.437 1.883 20 70 FDIDLO Cc1ccc([C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)N2CCOCC2)cc1 ZINC000160147960 524818376 /nfs/dbraw/zinc/81/83/76/524818376.db2.gz JEJPLNRKUNFWEU-RBUKOAKNSA-N 1 2 368.481 1.944 20 70 FDIDLO Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000160207855 524831686 /nfs/dbraw/zinc/83/16/86/524831686.db2.gz GJBZTLMQKBUNPI-NUEKZKHPSA-N 1 2 361.511 1.971 20 70 FDIDLO CCn1cnnc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1 ZINC000160302798 524853880 /nfs/dbraw/zinc/85/38/80/524853880.db2.gz KWKSWMZRKPFZQF-SJORKVTESA-N 1 2 370.457 1.093 20 70 FDIDLO CCn1cnnc1CNC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1 ZINC000160302798 524853891 /nfs/dbraw/zinc/85/38/91/524853891.db2.gz KWKSWMZRKPFZQF-SJORKVTESA-N 1 2 370.457 1.093 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000160626172 524931284 /nfs/dbraw/zinc/93/12/84/524931284.db2.gz KHVPRRZTWFUQLY-CYBMUJFWSA-N 1 2 371.441 1.784 20 70 FDIDLO CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cnc2cnccn12 ZINC000160669731 524945929 /nfs/dbraw/zinc/94/59/29/524945929.db2.gz YTHAEQATXLOLNR-UHFFFAOYSA-N 1 2 367.409 1.961 20 70 FDIDLO CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cnc2cnccn12 ZINC000160669731 524945935 /nfs/dbraw/zinc/94/59/35/524945935.db2.gz YTHAEQATXLOLNR-UHFFFAOYSA-N 1 2 367.409 1.961 20 70 FDIDLO COc1ncc(NC(=O)c2cc(C)ccc2-n2cc[nH+]c2)cc1C(N)=O ZINC000160751590 524964868 /nfs/dbraw/zinc/96/48/68/524964868.db2.gz FGIGOSAWZAWPRO-UHFFFAOYSA-N 1 2 351.366 1.936 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(CC(C)C)C1CC1 ZINC000160987453 525010704 /nfs/dbraw/zinc/01/07/04/525010704.db2.gz KVGLDWVDRJTKPA-UHFFFAOYSA-N 1 2 360.458 1.812 20 70 FDIDLO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094618 525032899 /nfs/dbraw/zinc/03/28/99/525032899.db2.gz SAODERZDCKYCQH-HUUCEWRRSA-N 1 2 358.360 1.672 20 70 FDIDLO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC000161094618 525032913 /nfs/dbraw/zinc/03/29/13/525032913.db2.gz SAODERZDCKYCQH-HUUCEWRRSA-N 1 2 358.360 1.672 20 70 FDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000161216323 525055459 /nfs/dbraw/zinc/05/54/59/525055459.db2.gz SUUQTWIOZYKAJF-ZWKOTPCHSA-N 1 2 363.502 1.984 20 70 FDIDLO CC(C)(C)[C@@H](CCO)NC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000161216323 525055470 /nfs/dbraw/zinc/05/54/70/525055470.db2.gz SUUQTWIOZYKAJF-ZWKOTPCHSA-N 1 2 363.502 1.984 20 70 FDIDLO Cc1cc(=O)n2nc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)sc2n1 ZINC000161287258 525072281 /nfs/dbraw/zinc/07/22/81/525072281.db2.gz RKDCKYOOBBMYJV-GFCCVEGCSA-N 1 2 362.377 1.595 20 70 FDIDLO Cn1cnc(-c2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCOCC3)cc2)n1 ZINC000161375672 525096530 /nfs/dbraw/zinc/09/65/30/525096530.db2.gz YNAPNPLGIPRWOQ-KRWDZBQOSA-N 1 2 370.457 1.811 20 70 FDIDLO C[C@H](NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[C@H](C)[NH+]1CCOCC1 ZINC000161438982 525108002 /nfs/dbraw/zinc/10/80/02/525108002.db2.gz WEBJHNQTELUGHX-SDDRHHMPSA-N 1 2 374.407 1.759 20 70 FDIDLO CCOc1cccc(N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)n1 ZINC000161473471 173742654 /nfs/dbraw/zinc/74/26/54/173742654.db2.gz HYKPRWTWHNCSHY-HNNXBMFYSA-N 1 2 355.442 1.588 20 70 FDIDLO C[C@@H]1Cc2cc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)ccc2O1 ZINC000159369345 524653154 /nfs/dbraw/zinc/65/31/54/524653154.db2.gz CCXXKUPVLOZRLM-UKRRQHHQSA-N 1 2 359.451 1.962 20 70 FDIDLO CCN(CC(=O)Nc1cccc(OC)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000159373439 524656698 /nfs/dbraw/zinc/65/66/98/524656698.db2.gz CSVLHWGCCUMEIH-CQSZACIVSA-N 1 2 356.426 1.941 20 70 FDIDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439621 524669462 /nfs/dbraw/zinc/66/94/62/524669462.db2.gz NTJHRQRSALOFAC-VXGBXAGGSA-N 1 2 373.423 1.286 20 70 FDIDLO CCOC(=O)CCCNC(=O)C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465746 524676873 /nfs/dbraw/zinc/67/68/73/524676873.db2.gz HQOXJKYWEHXGHX-HXUWFJFHSA-N 1 2 360.454 1.620 20 70 FDIDLO CCOC(=O)CCCNC(=O)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159465746 524676886 /nfs/dbraw/zinc/67/68/86/524676886.db2.gz HQOXJKYWEHXGHX-HXUWFJFHSA-N 1 2 360.454 1.620 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159472163 524679470 /nfs/dbraw/zinc/67/94/70/524679470.db2.gz WUGNDOOFUABYGJ-CVEARBPZSA-N 1 2 361.486 1.827 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159472163 524679475 /nfs/dbraw/zinc/67/94/75/524679475.db2.gz WUGNDOOFUABYGJ-CVEARBPZSA-N 1 2 361.486 1.827 20 70 FDIDLO Cc1cc(NC(=O)C[N@@H+](C)CC(C)(CO)CO)n(-c2ccc(F)cc2)n1 ZINC000159563450 524698256 /nfs/dbraw/zinc/69/82/56/524698256.db2.gz YVBVYGQPOBTAPQ-UHFFFAOYSA-N 1 2 364.421 1.181 20 70 FDIDLO Cc1cc(NC(=O)C[N@H+](C)CC(C)(CO)CO)n(-c2ccc(F)cc2)n1 ZINC000159563450 524698257 /nfs/dbraw/zinc/69/82/57/524698257.db2.gz YVBVYGQPOBTAPQ-UHFFFAOYSA-N 1 2 364.421 1.181 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC000159652099 524714416 /nfs/dbraw/zinc/71/44/16/524714416.db2.gz ICTWQMYPMCXWPB-IAGOWNOFSA-N 1 2 359.470 1.255 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)CNC(=O)c3ccc(C(C)(C)C)cc3)C[C@H]21 ZINC000159652099 524714427 /nfs/dbraw/zinc/71/44/27/524714427.db2.gz ICTWQMYPMCXWPB-IAGOWNOFSA-N 1 2 359.470 1.255 20 70 FDIDLO Cc1c(CNC(=O)NC[C@H](c2cccc(C)c2)[NH+]2CCOCC2)cnn1C ZINC000159742724 524730331 /nfs/dbraw/zinc/73/03/31/524730331.db2.gz RJOVTLSTQNZAMI-LJQANCHMSA-N 1 2 371.485 1.910 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000159813770 524742937 /nfs/dbraw/zinc/74/29/37/524742937.db2.gz XYQNXJCHKKWFEQ-CVEARBPZSA-N 1 2 363.462 1.248 20 70 FDIDLO CN1C[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCC1=O ZINC000160119758 524814124 /nfs/dbraw/zinc/81/41/24/524814124.db2.gz IQVYCZWKPPNYJX-BXUZGUMPSA-N 1 2 354.401 1.488 20 70 FDIDLO Cc1c(CNC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cnn1C ZINC000160165289 524823021 /nfs/dbraw/zinc/82/30/21/524823021.db2.gz DYXVNCHMHXTGOA-OKILXGFUSA-N 1 2 372.473 1.737 20 70 FDIDLO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCOC1 ZINC000160345982 524865800 /nfs/dbraw/zinc/86/58/00/524865800.db2.gz BBJUOJMTLILKMJ-CVEARBPZSA-N 1 2 360.458 1.052 20 70 FDIDLO COc1cc(C)c(S(=O)(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1C ZINC000160411360 524883429 /nfs/dbraw/zinc/88/34/29/524883429.db2.gz QUGDSTPQOPDHPS-ZDUSSCGKSA-N 1 2 356.488 1.559 20 70 FDIDLO CC[N@@H+]1CCc2nc(NC(=O)c3coc(S(=O)(=O)NC)c3)sc2C1 ZINC000160434865 524888459 /nfs/dbraw/zinc/88/84/59/524888459.db2.gz BHNMSNJIUFYUAU-UHFFFAOYSA-N 1 2 370.456 1.275 20 70 FDIDLO CC[N@H+]1CCc2nc(NC(=O)c3coc(S(=O)(=O)NC)c3)sc2C1 ZINC000160434865 524888468 /nfs/dbraw/zinc/88/84/68/524888468.db2.gz BHNMSNJIUFYUAU-UHFFFAOYSA-N 1 2 370.456 1.275 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000160597521 524924354 /nfs/dbraw/zinc/92/43/54/524924354.db2.gz YZQAXWPOOBDQIX-NSHDSACASA-N 1 2 372.263 1.675 20 70 FDIDLO O=C(NCC[NH+]1CCOCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000160719529 524956292 /nfs/dbraw/zinc/95/62/92/524956292.db2.gz DVYDJWQABKURAM-CYBMUJFWSA-N 1 2 370.856 1.689 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000160966338 525006774 /nfs/dbraw/zinc/00/67/74/525006774.db2.gz DQSYUGWZZIDNBU-UHFFFAOYSA-N 1 2 352.435 1.053 20 70 FDIDLO Cc1cc(NCCNS(=O)(=O)c2cccnc2)nc(-c2ccncc2)[nH+]1 ZINC000161204717 525053731 /nfs/dbraw/zinc/05/37/31/525053731.db2.gz OKCDZSOGBJCSBU-UHFFFAOYSA-N 1 2 370.438 1.632 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000161237118 525062196 /nfs/dbraw/zinc/06/21/96/525062196.db2.gz PBVGIVXOOUFJDR-UHFFFAOYSA-N 1 2 368.437 1.244 20 70 FDIDLO COc1ccc(C[N@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C2CC2)cc1 ZINC000161311909 525078271 /nfs/dbraw/zinc/07/82/71/525078271.db2.gz PFZPLJJFYUBRBM-UHFFFAOYSA-N 1 2 369.425 1.134 20 70 FDIDLO COc1ccc(C[N@@H+](Cc2nc3c([nH]2)n(C)c(=O)n(C)c3=O)C2CC2)cc1 ZINC000161311909 525078283 /nfs/dbraw/zinc/07/82/83/525078283.db2.gz PFZPLJJFYUBRBM-UHFFFAOYSA-N 1 2 369.425 1.134 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000159813648 173689417 /nfs/dbraw/zinc/68/94/17/173689417.db2.gz XYQNXJCHKKWFEQ-HZPDHXFCSA-N 1 2 363.462 1.248 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159472034 524679317 /nfs/dbraw/zinc/67/93/17/524679317.db2.gz WUGNDOOFUABYGJ-JKSUJKDBSA-N 1 2 361.486 1.827 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000159472034 524679324 /nfs/dbraw/zinc/67/93/24/524679324.db2.gz WUGNDOOFUABYGJ-JKSUJKDBSA-N 1 2 361.486 1.827 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)Cc2cnc3ccccn23)C1 ZINC000159546732 524692603 /nfs/dbraw/zinc/69/26/03/524692603.db2.gz QGTFHIIGDQBIPN-HNNXBMFYSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2cnc3ccccn23)C1 ZINC000159546732 524692607 /nfs/dbraw/zinc/69/26/07/524692607.db2.gz QGTFHIIGDQBIPN-HNNXBMFYSA-N 1 2 358.442 1.568 20 70 FDIDLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)Cc2c[nH+]c3ccccn23)C1 ZINC000159546732 524692610 /nfs/dbraw/zinc/69/26/10/524692610.db2.gz QGTFHIIGDQBIPN-HNNXBMFYSA-N 1 2 358.442 1.568 20 70 FDIDLO O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000159973595 524780906 /nfs/dbraw/zinc/78/09/06/524780906.db2.gz UVLVNADVNUNAPZ-RDJZCZTQSA-N 1 2 365.437 1.883 20 70 FDIDLO CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000160031855 524792368 /nfs/dbraw/zinc/79/23/68/524792368.db2.gz PQTZOJVXZAXHML-AWEZNQCLSA-N 1 2 363.443 1.243 20 70 FDIDLO Cc1nc2c(cnn2C)c(N2CC[NH+](Cc3cnc4ccccn34)CC2)n1 ZINC000160082269 524806115 /nfs/dbraw/zinc/80/61/15/524806115.db2.gz ZNQNDSUHNGICOD-UHFFFAOYSA-N 1 2 362.441 1.642 20 70 FDIDLO CN1C[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCC1=O ZINC000160119619 524813606 /nfs/dbraw/zinc/81/36/06/524813606.db2.gz IQVYCZWKPPNYJX-FZMZJTMJSA-N 1 2 354.401 1.488 20 70 FDIDLO O=C(NC1(c2nnn(CCn3cc[nH+]c3)n2)CCCC1)c1ccccc1 ZINC000160142058 524818350 /nfs/dbraw/zinc/81/83/50/524818350.db2.gz NBQJBRYIFKSAGD-UHFFFAOYSA-N 1 2 351.414 1.769 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1CC ZINC000160272155 524845926 /nfs/dbraw/zinc/84/59/26/524845926.db2.gz ZVXYDGQJIBAYAR-CYBMUJFWSA-N 1 2 370.457 1.368 20 70 FDIDLO O=C(NCCNC(=O)c1cccnc1)N[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000160291843 524850768 /nfs/dbraw/zinc/85/07/68/524850768.db2.gz SMLWKNINVYQPFB-INIZCTEOSA-N 1 2 368.441 1.175 20 70 FDIDLO O=C(NCc1ccccc1OCCO)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160355445 524866369 /nfs/dbraw/zinc/86/63/69/524866369.db2.gz HBXXIRFBZMBVAH-UHFFFAOYSA-N 1 2 370.453 1.480 20 70 FDIDLO CN(CC[NH+]1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccnc1 ZINC000160358376 524866497 /nfs/dbraw/zinc/86/64/97/524866497.db2.gz FCGULXKYKSNFGD-UHFFFAOYSA-N 1 2 360.483 1.524 20 70 FDIDLO Cc1c(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cccc1C(=O)N1CCOCC1 ZINC000160377139 524870624 /nfs/dbraw/zinc/87/06/24/524870624.db2.gz NCNZUUATXGITGA-OAHLLOKOSA-N 1 2 368.437 1.865 20 70 FDIDLO NC(=O)C[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160465657 524895915 /nfs/dbraw/zinc/89/59/15/524895915.db2.gz AJNCHHAUSSQFOJ-YGRLFVJLSA-N 1 2 354.248 1.563 20 70 FDIDLO NC(=O)C[C@H]1CCC[N@H+]([C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000160465657 524895925 /nfs/dbraw/zinc/89/59/25/524895925.db2.gz AJNCHHAUSSQFOJ-YGRLFVJLSA-N 1 2 354.248 1.563 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160539345 524910035 /nfs/dbraw/zinc/91/00/35/524910035.db2.gz XXSLUOXXYKAXAQ-UHFFFAOYSA-N 1 2 350.444 1.448 20 70 FDIDLO O=C(NCCn1cc[nH+]c1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160665606 524942545 /nfs/dbraw/zinc/94/25/45/524942545.db2.gz HAUPBNMLPPAVKY-CQSZACIVSA-N 1 2 365.796 1.780 20 70 FDIDLO C[C@@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707728 524953107 /nfs/dbraw/zinc/95/31/07/524953107.db2.gz FPHRYCQDKKEZNN-WKPIXPDZSA-N 1 2 364.400 1.899 20 70 FDIDLO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)c1nncn1C ZINC000160707728 524953115 /nfs/dbraw/zinc/95/31/15/524953115.db2.gz FPHRYCQDKKEZNN-WKPIXPDZSA-N 1 2 364.400 1.899 20 70 FDIDLO C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)NCc1nccs1 ZINC000160733586 524960745 /nfs/dbraw/zinc/96/07/45/524960745.db2.gz IOKBLPYMRBXXAZ-UHFFFAOYSA-N 1 2 353.469 1.408 20 70 FDIDLO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c(Cl)cc1F ZINC000160820046 524977057 /nfs/dbraw/zinc/97/70/57/524977057.db2.gz RVWABHDYUYOUMM-UHFFFAOYSA-N 1 2 364.870 1.865 20 70 FDIDLO COc1ccc(-c2cc(C(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)n[nH]2)cc1 ZINC000160958668 525003860 /nfs/dbraw/zinc/00/38/60/525003860.db2.gz YJFKCUQCENMXFD-HNNXBMFYSA-N 1 2 370.453 1.880 20 70 FDIDLO CCc1ccc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000160991905 525011289 /nfs/dbraw/zinc/01/12/89/525011289.db2.gz ZUTHTONXIGNUNL-UHFFFAOYSA-N 1 2 353.470 1.520 20 70 FDIDLO O=C(Cn1cc(NC(=O)[C@H]2CCn3cc[nH+]c3C2)cn1)NC1CCCC1 ZINC000161023403 525019543 /nfs/dbraw/zinc/01/95/43/525019543.db2.gz XQAZGFRGXKBNBJ-ZDUSSCGKSA-N 1 2 356.430 1.340 20 70 FDIDLO CC[NH+](CC)Cc1nc(C2(NC(=O)c3cccc(=O)n3C)CCCC2)no1 ZINC000161078689 525029143 /nfs/dbraw/zinc/02/91/43/525029143.db2.gz DOUNAMXUIAKRCR-UHFFFAOYSA-N 1 2 373.457 1.809 20 70 FDIDLO COCCOc1cccc(CC(=O)N2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000161144126 525043441 /nfs/dbraw/zinc/04/34/41/525043441.db2.gz XPXNWLHRIKIRCW-UHFFFAOYSA-N 1 2 369.465 1.994 20 70 FDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161164220 525045418 /nfs/dbraw/zinc/04/54/18/525045418.db2.gz RHKSOPIPFUVSAA-UAGQMJEPSA-N 1 2 359.474 1.205 20 70 FDIDLO C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161402443 525101382 /nfs/dbraw/zinc/10/13/82/525101382.db2.gz CLLLSPWXGBDTMB-CVEARBPZSA-N 1 2 373.501 1.037 20 70 FDIDLO Cc1sc2nc(C[NH+]3CCC(N4CCNC4=O)CC3)[nH]c(=O)c2c1C ZINC000161439174 525108602 /nfs/dbraw/zinc/10/86/02/525108602.db2.gz ZJABJHAZACDSBX-UHFFFAOYSA-N 1 2 361.471 1.591 20 70 FDIDLO COC(=O)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1cccc(C)c1 ZINC000161463075 525114117 /nfs/dbraw/zinc/11/41/17/525114117.db2.gz QKCQYQULNGHNCH-SJORKVTESA-N 1 2 355.438 1.902 20 70 FDIDLO O=C(Nc1ccnn1C[C@H]1CCOC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000159361102 173674196 /nfs/dbraw/zinc/67/41/96/173674196.db2.gz JXJMIZBYYYMUMB-OAHLLOKOSA-N 1 2 356.430 1.669 20 70 FDIDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)c1cccs1 ZINC000159553715 173681858 /nfs/dbraw/zinc/68/18/58/173681858.db2.gz PSLMITRVMSOXMA-GJZGRUSLSA-N 1 2 365.499 1.243 20 70 FDIDLO CC(C)(CNC(=O)Nc1ccnn1C[C@H]1CCOC1)[NH+]1CCOCC1 ZINC000159722867 173686660 /nfs/dbraw/zinc/68/66/60/173686660.db2.gz MMXUNRKWBUJLMK-CQSZACIVSA-N 1 2 351.451 1.152 20 70 FDIDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)C1 ZINC000159479716 524681230 /nfs/dbraw/zinc/68/12/30/524681230.db2.gz XXQHXEFGHKEGJM-UKRRQHHQSA-N 1 2 370.519 1.165 20 70 FDIDLO O=c1n2ccccc2nn1CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159503549 524686152 /nfs/dbraw/zinc/68/61/52/524686152.db2.gz DEHZKBGCWGPKJS-HXUWFJFHSA-N 1 2 350.422 1.670 20 70 FDIDLO O=c1n2ccccc2nn1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159503549 524686156 /nfs/dbraw/zinc/68/61/56/524686156.db2.gz DEHZKBGCWGPKJS-HXUWFJFHSA-N 1 2 350.422 1.670 20 70 FDIDLO O=C(NCc1[nH+]ccn1CCc1ccccc1)NCC1(CO)CCOCC1 ZINC000159511996 524688273 /nfs/dbraw/zinc/68/82/73/524688273.db2.gz XXURGRUQSJFCHQ-UHFFFAOYSA-N 1 2 372.469 1.714 20 70 FDIDLO C[C@H](CNC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[NH+]1CCN(C)CC1 ZINC000159524169 524689767 /nfs/dbraw/zinc/68/97/67/524689767.db2.gz YEFVXJGRFIWKFU-NEPJUHHUSA-N 1 2 373.423 1.286 20 70 FDIDLO O=C(NCc1ccc(N2CCCC2)[nH+]c1)NC[C@@H]1CCCS1(=O)=O ZINC000159549305 524695190 /nfs/dbraw/zinc/69/51/90/524695190.db2.gz CWNQTICUONYCNV-AWEZNQCLSA-N 1 2 352.460 1.058 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000159849310 524753748 /nfs/dbraw/zinc/75/37/48/524753748.db2.gz RVLNNRGNMBKABW-UHFFFAOYSA-N 1 2 368.437 1.477 20 70 FDIDLO CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C1 ZINC000160031709 524791286 /nfs/dbraw/zinc/79/12/86/524791286.db2.gz PQTZOJVXZAXHML-CQSZACIVSA-N 1 2 363.443 1.243 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000160024512 524792393 /nfs/dbraw/zinc/79/23/93/524792393.db2.gz VPKFUEGASDFPRB-KRWDZBQOSA-N 1 2 368.474 1.791 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCc1ccsc1 ZINC000160089964 524805334 /nfs/dbraw/zinc/80/53/34/524805334.db2.gz CEMIWGQPUDDBRI-UHFFFAOYSA-N 1 2 374.466 1.586 20 70 FDIDLO C[C@]1(O)CCCN(C(=O)NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)C1 ZINC000160092310 524808036 /nfs/dbraw/zinc/80/80/36/524808036.db2.gz NLGULBBYLNCGSW-FQEVSTJZSA-N 1 2 374.485 1.646 20 70 FDIDLO CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000160118612 524812859 /nfs/dbraw/zinc/81/28/59/524812859.db2.gz VWNSZFGHZDFUAQ-AWEZNQCLSA-N 1 2 360.439 1.886 20 70 FDIDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N[C@@H](C)Cn1ncc2ccccc2c1=O ZINC000160585594 524923799 /nfs/dbraw/zinc/92/37/99/524923799.db2.gz LJPCRFJRGILWGY-KBPBESRZSA-N 1 2 354.414 1.369 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](CC(=O)N3CCCC[C@H]3C)CC2)n1 ZINC000160741312 524962445 /nfs/dbraw/zinc/96/24/45/524962445.db2.gz VDHSXAFMAAMCLG-OAHLLOKOSA-N 1 2 361.490 1.263 20 70 FDIDLO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nccs1 ZINC000161079543 525028275 /nfs/dbraw/zinc/02/82/75/525028275.db2.gz GNBYVKSBNDTXRG-ZWNOBZJWSA-N 1 2 368.484 1.858 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161114320 525038050 /nfs/dbraw/zinc/03/80/50/525038050.db2.gz ZMLCTAFFUCRZPU-UHFFFAOYSA-N 1 2 367.453 1.331 20 70 FDIDLO O=C(CN1CC[NH+](Cc2ccncc2)CC1)NC(=O)NCc1ccccc1 ZINC000161176768 525050492 /nfs/dbraw/zinc/05/04/92/525050492.db2.gz IIQSGUQCPMQDQD-UHFFFAOYSA-N 1 2 367.453 1.225 20 70 FDIDLO Cc1nn(C)c(=O)c(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1C ZINC000161274377 525071035 /nfs/dbraw/zinc/07/10/35/525071035.db2.gz VLRYOISUXBRTIW-UHFFFAOYSA-N 1 2 370.453 1.159 20 70 FDIDLO C[C@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1C ZINC000161378462 525096391 /nfs/dbraw/zinc/09/63/91/525096391.db2.gz VMVFNRBTXUUALH-DLBZAZTESA-N 1 2 373.501 1.808 20 70 FDIDLO O=C(CN1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)NC1CCCCC1 ZINC000161380250 525097154 /nfs/dbraw/zinc/09/71/54/525097154.db2.gz RTROCDISIIXUIP-INIZCTEOSA-N 1 2 373.501 1.039 20 70 FDIDLO O=S(=O)(NCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)c1ccccc1 ZINC000161509004 525120841 /nfs/dbraw/zinc/12/08/41/525120841.db2.gz KFRBTVFAHPTEAX-CQSZACIVSA-N 1 2 366.405 1.600 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000159536823 173681199 /nfs/dbraw/zinc/68/11/99/173681199.db2.gz XZDALYHDCNYLAU-UHFFFAOYSA-N 1 2 354.476 1.258 20 70 FDIDLO COC[C@@H](O)CNC(=O)c1cccc(OCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000159459963 524674999 /nfs/dbraw/zinc/67/49/99/524674999.db2.gz IAHDWWQVULIWNN-KRWDZBQOSA-N 1 2 369.421 1.959 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000159466126 524676464 /nfs/dbraw/zinc/67/64/64/524676464.db2.gz YBFXAKWFRHNIRU-UHFFFAOYSA-N 1 2 372.469 1.137 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000159466126 524676471 /nfs/dbraw/zinc/67/64/71/524676471.db2.gz YBFXAKWFRHNIRU-UHFFFAOYSA-N 1 2 372.469 1.137 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)CCc1ccccc1 ZINC000159463202 524676824 /nfs/dbraw/zinc/67/68/24/524676824.db2.gz CFVOJKMZXNGTOP-UHFFFAOYSA-N 1 2 354.516 1.849 20 70 FDIDLO CC(=O)N1CCOC[C@@H]1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000159494772 524685121 /nfs/dbraw/zinc/68/51/21/524685121.db2.gz CXAQEEKQCFOZJY-OAHLLOKOSA-N 1 2 366.487 1.561 20 70 FDIDLO C[C@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)c1ccsc1 ZINC000159554494 524695868 /nfs/dbraw/zinc/69/58/68/524695868.db2.gz VLMQAEFMIWKURN-GJZGRUSLSA-N 1 2 365.499 1.243 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000159776207 524736416 /nfs/dbraw/zinc/73/64/16/524736416.db2.gz QSLMOBCBMANSKV-QGZVFWFLSA-N 1 2 363.527 1.695 20 70 FDIDLO Nc1nc(CSCC[NH+]2CCOCC2)nc(Nc2ccc(F)cc2)n1 ZINC000159963946 524778636 /nfs/dbraw/zinc/77/86/36/524778636.db2.gz SNJRVLHPJXNADK-UHFFFAOYSA-N 1 2 364.450 1.902 20 70 FDIDLO O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(SCCn3cc[nH+]c3)c12 ZINC000160077760 524804073 /nfs/dbraw/zinc/80/40/73/524804073.db2.gz XVKAYDAZPHTCPH-UHFFFAOYSA-N 1 2 370.438 1.681 20 70 FDIDLO C[C@@H](NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCOC1 ZINC000160345725 524863133 /nfs/dbraw/zinc/86/31/33/524863133.db2.gz BBJUOJMTLILKMJ-HZPDHXFCSA-N 1 2 360.458 1.052 20 70 FDIDLO Cc1cc(-n2c(C)cc(C(=O)NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2C)no1 ZINC000160430784 524887666 /nfs/dbraw/zinc/88/76/66/524887666.db2.gz GBKHSOBWBUYRDI-MRXNPFEDSA-N 1 2 358.442 1.984 20 70 FDIDLO Cc1cc(-n2c(C)cc(C(=O)NC[C@@H]3C[N@H+](C4CC4)CCO3)c2C)no1 ZINC000160430784 524887671 /nfs/dbraw/zinc/88/76/71/524887671.db2.gz GBKHSOBWBUYRDI-MRXNPFEDSA-N 1 2 358.442 1.984 20 70 FDIDLO CCc1cc(=O)[nH]c(CN2CC[NH+](Cc3cn4ccccc4n3)CC2)n1 ZINC000160598248 524925240 /nfs/dbraw/zinc/92/52/40/524925240.db2.gz DTUXTRXKHRZRTO-UHFFFAOYSA-N 1 2 352.442 1.710 20 70 FDIDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000160999058 525011650 /nfs/dbraw/zinc/01/16/50/525011650.db2.gz FAHUCMJOMWVXPI-HOCLYGCPSA-N 1 2 355.446 1.076 20 70 FDIDLO CCOC(=O)c1c(C)oc2nc(C[N@H+](C)CCn3cccn3)nc(N)c21 ZINC000161059516 525024853 /nfs/dbraw/zinc/02/48/53/525024853.db2.gz HKGAKTRBUPSKBK-UHFFFAOYSA-N 1 2 358.402 1.619 20 70 FDIDLO CCOC(=O)c1c(C)oc2nc(C[N@@H+](C)CCn3cccn3)nc(N)c21 ZINC000161059516 525024863 /nfs/dbraw/zinc/02/48/63/525024863.db2.gz HKGAKTRBUPSKBK-UHFFFAOYSA-N 1 2 358.402 1.619 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)c2c1 ZINC000161097018 525032641 /nfs/dbraw/zinc/03/26/41/525032641.db2.gz WMZADEWTDYWMQP-KRWDZBQOSA-N 1 2 369.421 1.880 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]3CCC[C@H]3C(=O)NC3CC3)c2c1 ZINC000161097018 525032646 /nfs/dbraw/zinc/03/26/46/525032646.db2.gz WMZADEWTDYWMQP-KRWDZBQOSA-N 1 2 369.421 1.880 20 70 FDIDLO COc1ccccc1CCNC(=O)CN1CC[NH+](Cc2ccncc2)CC1 ZINC000161217097 525059012 /nfs/dbraw/zinc/05/90/12/525059012.db2.gz PGIGLQPAGJOPEU-UHFFFAOYSA-N 1 2 368.481 1.567 20 70 FDIDLO NC(=O)c1ccc(C(=O)N2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000161353782 525086235 /nfs/dbraw/zinc/08/62/35/525086235.db2.gz DCWGRHPIIOEDCQ-UHFFFAOYSA-N 1 2 358.829 1.792 20 70 FDIDLO C[C@@H]1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1C ZINC000161378160 525096558 /nfs/dbraw/zinc/09/65/58/525096558.db2.gz VMVFNRBTXUUALH-SJORKVTESA-N 1 2 373.501 1.808 20 70 FDIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NCCOc1ccccc1 ZINC000161492963 525117994 /nfs/dbraw/zinc/11/79/94/525117994.db2.gz QRKJEPXJFOYSGU-INIZCTEOSA-N 1 2 360.376 1.817 20 70 FDIDLO O=S(=O)(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc2c(c1)OCCO2 ZINC000218102674 537459916 /nfs/dbraw/zinc/45/99/16/537459916.db2.gz DJVAWTHVESOMSC-CYBMUJFWSA-N 1 2 361.423 1.410 20 70 FDIDLO CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159364863 524653742 /nfs/dbraw/zinc/65/37/42/524653742.db2.gz GJVLSRFLONAZAB-OAHLLOKOSA-N 1 2 360.439 1.597 20 70 FDIDLO Cc1nn(C)c2ncc(S(=O)(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc12 ZINC000159372119 524656933 /nfs/dbraw/zinc/65/69/33/524656933.db2.gz HVLUKKAVUJFMOO-CYBMUJFWSA-N 1 2 372.454 1.229 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159471895 524678401 /nfs/dbraw/zinc/67/84/01/524678401.db2.gz WUGNDOOFUABYGJ-HZPDHXFCSA-N 1 2 361.486 1.827 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000159471895 524678408 /nfs/dbraw/zinc/67/84/08/524678408.db2.gz WUGNDOOFUABYGJ-HZPDHXFCSA-N 1 2 361.486 1.827 20 70 FDIDLO CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)o1 ZINC000159651303 524714025 /nfs/dbraw/zinc/71/40/25/524714025.db2.gz APQNWUHGCPDJJJ-UHFFFAOYSA-N 1 2 363.439 1.749 20 70 FDIDLO C[C@@H](C(=O)NC1CCCC1)[NH+]1CCN(Cc2nsc(N(C)C)n2)CC1 ZINC000159837581 524748670 /nfs/dbraw/zinc/74/86/70/524748670.db2.gz ODCUMNDXNXVEQG-ZDUSSCGKSA-N 1 2 366.535 1.169 20 70 FDIDLO COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)nn1 ZINC000159850675 524752994 /nfs/dbraw/zinc/75/29/94/524752994.db2.gz NDNFREBDEXXPGS-INIZCTEOSA-N 1 2 356.426 1.159 20 70 FDIDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)nc2)CC1 ZINC000160077537 524802501 /nfs/dbraw/zinc/80/25/01/524802501.db2.gz JLUXUJPPZPKLAG-ZDUSSCGKSA-N 1 2 357.389 1.460 20 70 FDIDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160076961 524802726 /nfs/dbraw/zinc/80/27/26/524802726.db2.gz FFAKDHYEDHZMEP-UHFFFAOYSA-N 1 2 358.417 1.658 20 70 FDIDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160076961 524802737 /nfs/dbraw/zinc/80/27/37/524802737.db2.gz FFAKDHYEDHZMEP-UHFFFAOYSA-N 1 2 358.417 1.658 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000160281297 524847822 /nfs/dbraw/zinc/84/78/22/524847822.db2.gz HQDAGEQKOKOPNC-UHFFFAOYSA-N 1 2 353.382 1.986 20 70 FDIDLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160353130 524865067 /nfs/dbraw/zinc/86/50/67/524865067.db2.gz VLLNXYMIWDNMAD-OCCSQVGLSA-N 1 2 362.455 1.231 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cccc2c1N=S=N2)C[NH+]1CCOCC1 ZINC000160366702 524869254 /nfs/dbraw/zinc/86/92/54/524869254.db2.gz SPPKRZUJKFDQNM-LLVKDONJSA-N 1 2 356.473 1.660 20 70 FDIDLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387286 524875231 /nfs/dbraw/zinc/87/52/31/524875231.db2.gz KTKIGIYCUKBGCK-UYAOXDASSA-N 1 2 373.497 1.869 20 70 FDIDLO CC(C)CC(=O)N[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000160387286 524875246 /nfs/dbraw/zinc/87/52/46/524875246.db2.gz KTKIGIYCUKBGCK-UYAOXDASSA-N 1 2 373.497 1.869 20 70 FDIDLO CN(C)c1ccc(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)c(F)c1 ZINC000160629554 524933919 /nfs/dbraw/zinc/93/39/19/524933919.db2.gz MMWQWMWACMCYEJ-GOSISDBHSA-N 1 2 367.490 1.829 20 70 FDIDLO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1F ZINC000160809882 524974293 /nfs/dbraw/zinc/97/42/93/524974293.db2.gz DLBUVICXVXPSEY-UHFFFAOYSA-N 1 2 371.416 1.565 20 70 FDIDLO CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160830873 524978286 /nfs/dbraw/zinc/97/82/86/524978286.db2.gz WJECNDJMMSBVDC-CABCVRRESA-N 1 2 365.449 1.794 20 70 FDIDLO O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](Cc2ccncc2)CC1 ZINC000160974962 525009436 /nfs/dbraw/zinc/00/94/36/525009436.db2.gz MDADMQQGJRWIAL-KURKYZTESA-N 1 2 356.470 1.866 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)NCCOc1ncccc1Cl)[NH+]1CCOCC1 ZINC000161114846 525037037 /nfs/dbraw/zinc/03/70/37/525037037.db2.gz TWWIWRXQESSBJR-QWHCGFSZSA-N 1 2 356.854 1.522 20 70 FDIDLO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000161136981 525041409 /nfs/dbraw/zinc/04/14/09/525041409.db2.gz UJMQCZDBUGXTKF-NRFANRHFSA-N 1 2 366.465 1.888 20 70 FDIDLO C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161189996 525050144 /nfs/dbraw/zinc/05/01/44/525050144.db2.gz FZHMJOZKTJKLHD-INIZCTEOSA-N 1 2 373.501 1.746 20 70 FDIDLO CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161287922 525071860 /nfs/dbraw/zinc/07/18/60/525071860.db2.gz BRYUBNHETXQSAD-CMPLNLGQSA-N 1 2 353.385 1.492 20 70 FDIDLO CCS(=O)(=O)NCc1ccc(C(=O)Nc2ccc[nH+]c2N(C)C)cc1 ZINC000161444046 525110777 /nfs/dbraw/zinc/11/07/77/525110777.db2.gz ITROKJWDDVFJBB-UHFFFAOYSA-N 1 2 362.455 1.839 20 70 FDIDLO CN(C(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@H]1CCSC1 ZINC000161468919 525114283 /nfs/dbraw/zinc/11/42/83/525114283.db2.gz UNDJJAVXNRBQAD-ZDUSSCGKSA-N 1 2 356.513 1.599 20 70 FDIDLO O=C(NC[C@@H]1COC2(CCCCC2)O1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161126066 258263512 /nfs/dbraw/zinc/26/35/12/258263512.db2.gz AMSLMLDNJFBUIC-GOSISDBHSA-N 1 2 374.485 1.985 20 70 FDIDLO COCCC1(CNC(=O)N2CCN(Cc3cn4ccccc4[nH+]3)CC2)CC1 ZINC000161128411 258263622 /nfs/dbraw/zinc/26/36/22/258263622.db2.gz PRJSZZOPPUDONM-UHFFFAOYSA-N 1 2 371.485 1.978 20 70 FDIDLO Cc1cccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000159964308 173694464 /nfs/dbraw/zinc/69/44/64/173694464.db2.gz SIHAORKQAQRHMF-UHFFFAOYSA-N 1 2 368.437 1.790 20 70 FDIDLO O=C(Nc1cccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1)[C@@H]1CCCO1 ZINC000160459099 173712392 /nfs/dbraw/zinc/71/23/92/173712392.db2.gz IQGUCOJEDWHSKH-WBVHZDCISA-N 1 2 368.437 1.879 20 70 FDIDLO O=C(NCCc1cn2c([nH+]1)CCCC2)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159377685 524655381 /nfs/dbraw/zinc/65/53/81/524655381.db2.gz MOPXGJAHZDKCRN-AWEZNQCLSA-N 1 2 358.446 1.817 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)c1ccc(Cl)nc1 ZINC000159438609 524670081 /nfs/dbraw/zinc/67/00/81/524670081.db2.gz RMPYIZHZYBTLML-UHFFFAOYSA-N 1 2 361.895 1.714 20 70 FDIDLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1F ZINC000159475847 524681678 /nfs/dbraw/zinc/68/16/78/524681678.db2.gz VMOSNMXAJLMSHU-UHFFFAOYSA-N 1 2 374.478 1.813 20 70 FDIDLO CN(Cc1cccn1C)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159528716 524691688 /nfs/dbraw/zinc/69/16/88/524691688.db2.gz SHACIJKJALENSQ-UHFFFAOYSA-N 1 2 369.469 1.508 20 70 FDIDLO Cc1ccc(OC[C@@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 ZINC000159585257 524702309 /nfs/dbraw/zinc/70/23/09/524702309.db2.gz HXCHRNSNVIGKPO-OALUTQOASA-N 1 2 354.450 1.955 20 70 FDIDLO Cc1ccc(OC[C@@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c(C)c1 ZINC000159585257 524702322 /nfs/dbraw/zinc/70/23/22/524702322.db2.gz HXCHRNSNVIGKPO-OALUTQOASA-N 1 2 354.450 1.955 20 70 FDIDLO O=C(c1ccc(O)cc1)N1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000159595915 524703179 /nfs/dbraw/zinc/70/31/79/524703179.db2.gz ZUKTUONXHLTBFR-OAHLLOKOSA-N 1 2 354.410 1.136 20 70 FDIDLO NC(=O)[C@@H](c1cccc(Br)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000159683831 524720459 /nfs/dbraw/zinc/72/04/59/524720459.db2.gz GMPONDULANWIBV-LSDHHAIUSA-N 1 2 368.275 1.382 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000159743321 524731820 /nfs/dbraw/zinc/73/18/20/524731820.db2.gz QYBQLFAEJSJOME-IRXDYDNUSA-N 1 2 360.845 1.989 20 70 FDIDLO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000159743321 524731827 /nfs/dbraw/zinc/73/18/27/524731827.db2.gz QYBQLFAEJSJOME-IRXDYDNUSA-N 1 2 360.845 1.989 20 70 FDIDLO O=C(CSCC[NH+]1CCOCC1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000159776335 524736175 /nfs/dbraw/zinc/73/61/75/524736175.db2.gz QSLMOBCBMANSKV-KRWDZBQOSA-N 1 2 363.527 1.695 20 70 FDIDLO Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000159819467 524745490 /nfs/dbraw/zinc/74/54/90/524745490.db2.gz GUUFOOSDPFFYAA-UHFFFAOYSA-N 1 2 368.437 1.790 20 70 FDIDLO Cn1cc(N2CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)CC2)cn1 ZINC000160131316 524816803 /nfs/dbraw/zinc/81/68/03/524816803.db2.gz YEGCEKACCASGQM-GOSISDBHSA-N 1 2 357.433 1.877 20 70 FDIDLO Cc1ccc([C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)N2CCOCC2)cc1 ZINC000160147826 524818874 /nfs/dbraw/zinc/81/88/74/524818874.db2.gz JEJPLNRKUNFWEU-MOPGFXCFSA-N 1 2 368.481 1.944 20 70 FDIDLO C[C@@H](CNC(=O)CCN1c2ccccc2CCC1=O)[NH+]1CCN(C)CC1 ZINC000160154856 524819675 /nfs/dbraw/zinc/81/96/75/524819675.db2.gz BYHQWKNRRVYRLL-INIZCTEOSA-N 1 2 358.486 1.108 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(C(=O)N(C)C)CC3)c2c1 ZINC000160373540 524870666 /nfs/dbraw/zinc/87/06/66/524870666.db2.gz TYJAVPBLPRUZNK-UHFFFAOYSA-N 1 2 371.437 1.937 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1c(Cl)nc2ccccn21)C[NH+]1CCOCC1 ZINC000160393988 524877271 /nfs/dbraw/zinc/87/72/71/524877271.db2.gz QCENUWBOYIGKDE-LBPRGKRZSA-N 1 2 372.878 1.234 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000160401068 524878484 /nfs/dbraw/zinc/87/84/84/524878484.db2.gz MILGWSBRZQHQRR-LBPRGKRZSA-N 1 2 366.405 1.952 20 70 FDIDLO C[C@@H](CNS(=O)(=O)c1ccc(F)cc1Cl)C[NH+]1CCOCC1 ZINC000160409010 524880016 /nfs/dbraw/zinc/88/00/16/524880016.db2.gz ZCFBRYNPKMFYCP-NSHDSACASA-N 1 2 350.843 1.726 20 70 FDIDLO CN(C)c1cc(C(F)(F)F)nc(N2CCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000160411133 524882124 /nfs/dbraw/zinc/88/21/24/524882124.db2.gz RPCNUNWVQYPFKM-LBPRGKRZSA-N 1 2 359.396 1.862 20 70 FDIDLO CC[N@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1C ZINC000160589436 524922115 /nfs/dbraw/zinc/92/21/15/524922115.db2.gz CKKGDBMRIVXRPU-QGZVFWFLSA-N 1 2 352.500 1.737 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc(C)c(C)cc1C ZINC000160589436 524922122 /nfs/dbraw/zinc/92/21/22/524922122.db2.gz CKKGDBMRIVXRPU-QGZVFWFLSA-N 1 2 352.500 1.737 20 70 FDIDLO CC(=O)N[C@@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160602852 524927403 /nfs/dbraw/zinc/92/74/03/524927403.db2.gz DEWOXAZOWJWEOA-SJCJKPOMSA-N 1 2 369.412 1.369 20 70 FDIDLO CC(C)[C@H](CCO)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160638266 524936733 /nfs/dbraw/zinc/93/67/33/524936733.db2.gz KTSIXEWKNCKPGU-YJBOKZPZSA-N 1 2 351.466 1.859 20 70 FDIDLO C[C@H](C[C@@H]1CCCO1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160666776 524941901 /nfs/dbraw/zinc/94/19/01/524941901.db2.gz GSTAAAZOOQETJJ-SJORKVTESA-N 1 2 374.485 1.584 20 70 FDIDLO Cc1cc([C@@H]2CN(C(=O)NCC[NH+]3CCOCC3)CCO2)ccc1F ZINC000160734435 524960794 /nfs/dbraw/zinc/96/07/94/524960794.db2.gz QQYPQGMSONLRPW-KRWDZBQOSA-N 1 2 351.422 1.549 20 70 FDIDLO COc1ncc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1C(N)=O ZINC000160741090 524963060 /nfs/dbraw/zinc/96/30/60/524963060.db2.gz YIEBLCTUQJYVSA-INIZCTEOSA-N 1 2 372.400 1.931 20 70 FDIDLO COc1ncc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1C(N)=O ZINC000160741090 524963069 /nfs/dbraw/zinc/96/30/69/524963069.db2.gz YIEBLCTUQJYVSA-INIZCTEOSA-N 1 2 372.400 1.931 20 70 FDIDLO Cc1cc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)nc(C(C)C)[nH+]1 ZINC000160893387 524993170 /nfs/dbraw/zinc/99/31/70/524993170.db2.gz JBABSHPQZDECSL-MRXNPFEDSA-N 1 2 369.469 1.923 20 70 FDIDLO CCC[N@H+](Cc1ccccc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000161100139 525032231 /nfs/dbraw/zinc/03/22/31/525032231.db2.gz WOVXRBQIKKWDHD-MRXNPFEDSA-N 1 2 368.499 1.553 20 70 FDIDLO CCC[N@@H+](Cc1ccccc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000161100139 525032244 /nfs/dbraw/zinc/03/22/44/525032244.db2.gz WOVXRBQIKKWDHD-MRXNPFEDSA-N 1 2 368.499 1.553 20 70 FDIDLO CCC[N@H+](Cc1ccccc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000161100267 525033948 /nfs/dbraw/zinc/03/39/48/525033948.db2.gz WOVXRBQIKKWDHD-INIZCTEOSA-N 1 2 368.499 1.553 20 70 FDIDLO CCC[N@@H+](Cc1ccccc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000161100267 525033960 /nfs/dbraw/zinc/03/39/60/525033960.db2.gz WOVXRBQIKKWDHD-INIZCTEOSA-N 1 2 368.499 1.553 20 70 FDIDLO C[C@@H](NC(=O)NCCOc1ccc(Cl)cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000161111426 525035407 /nfs/dbraw/zinc/03/54/07/525035407.db2.gz CLQZNQIDKNOLBA-CHWSQXEVSA-N 1 2 356.854 1.522 20 70 FDIDLO C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccc3CO)c[nH+]2)CCO1 ZINC000161128545 525038956 /nfs/dbraw/zinc/03/89/56/525038956.db2.gz JOCCHGIQIVCCMM-OAHLLOKOSA-N 1 2 370.453 1.798 20 70 FDIDLO CC[N@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000161206385 525053633 /nfs/dbraw/zinc/05/36/33/525053633.db2.gz GSKGOWYSDPTKNK-CYBMUJFWSA-N 1 2 362.455 1.578 20 70 FDIDLO CC[N@@H+](Cc1ccccn1)[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000161206385 525053644 /nfs/dbraw/zinc/05/36/44/525053644.db2.gz GSKGOWYSDPTKNK-CYBMUJFWSA-N 1 2 362.455 1.578 20 70 FDIDLO O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000161392068 525099174 /nfs/dbraw/zinc/09/91/74/525099174.db2.gz DVVOBARTAMJIMS-HNNXBMFYSA-N 1 2 365.437 1.969 20 70 FDIDLO O=C(c1cncc(I)c1)N1CC[NH+](C2CC2)CC1 ZINC000161409138 525103126 /nfs/dbraw/zinc/10/31/26/525103126.db2.gz NITDMGSXTOKYBX-UHFFFAOYSA-N 1 2 357.195 1.606 20 70 FDIDLO CC[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(S(N)(=O)=O)c1 ZINC000161422264 525104445 /nfs/dbraw/zinc/10/44/45/525104445.db2.gz VZUXUURGYIATNB-DZGCQCFKSA-N 1 2 362.455 1.360 20 70 FDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439762 524669655 /nfs/dbraw/zinc/66/96/55/524669655.db2.gz NTJHRQRSALOFAC-RYUDHWBXSA-N 1 2 373.423 1.286 20 70 FDIDLO CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589326 524704783 /nfs/dbraw/zinc/70/47/83/524704783.db2.gz NWYUGIXSVDDNCX-RHSMWYFYSA-N 1 2 373.501 1.650 20 70 FDIDLO CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000159589326 524704792 /nfs/dbraw/zinc/70/47/92/524704792.db2.gz NWYUGIXSVDDNCX-RHSMWYFYSA-N 1 2 373.501 1.650 20 70 FDIDLO Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000159619927 524710732 /nfs/dbraw/zinc/71/07/32/524710732.db2.gz NNJCXUWELXFYKP-QUCCMNQESA-N 1 2 354.450 1.955 20 70 FDIDLO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2Cc3ccccc3C[C@H]2C(N)=O)c1 ZINC000159619927 524710744 /nfs/dbraw/zinc/71/07/44/524710744.db2.gz NNJCXUWELXFYKP-QUCCMNQESA-N 1 2 354.450 1.955 20 70 FDIDLO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659534 524716297 /nfs/dbraw/zinc/71/62/97/524716297.db2.gz CRPREQRCTPGISE-NVXWUHKLSA-N 1 2 359.474 1.110 20 70 FDIDLO CN(C)C(=O)C1(CNC(=O)N2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000160199895 524828860 /nfs/dbraw/zinc/82/88/60/524828860.db2.gz NHAXBHNWPZERES-UHFFFAOYSA-N 1 2 373.501 1.557 20 70 FDIDLO O=C(NC[C@@H]1CCCS1(=O)=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000160266988 524845889 /nfs/dbraw/zinc/84/58/89/524845889.db2.gz JUWHIDTYEHOKRW-KRWDZBQOSA-N 1 2 365.499 1.134 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000160345466 524862250 /nfs/dbraw/zinc/86/22/50/524862250.db2.gz YGOZTJGHIHUEEY-UHFFFAOYSA-N 1 2 362.561 1.678 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000160356284 524867405 /nfs/dbraw/zinc/86/74/05/524867405.db2.gz LXLRHNBAPDHLKR-UKRRQHHQSA-N 1 2 360.458 1.860 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cnc(Cl)c(Cl)c1)C[NH+]1CCOCC1 ZINC000160377289 524870533 /nfs/dbraw/zinc/87/05/33/524870533.db2.gz ZLZOQLUZGPTTGM-SNVBAGLBSA-N 1 2 368.286 1.635 20 70 FDIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160370558 524870813 /nfs/dbraw/zinc/87/08/13/524870813.db2.gz SBYMHNCFAFTLGW-BLLLJJGKSA-N 1 2 365.861 1.438 20 70 FDIDLO C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160370558 524870825 /nfs/dbraw/zinc/87/08/25/524870825.db2.gz SBYMHNCFAFTLGW-BLLLJJGKSA-N 1 2 365.861 1.438 20 70 FDIDLO COc1ccc(Cl)c(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160377028 524872245 /nfs/dbraw/zinc/87/22/45/524872245.db2.gz FBBLNTZIINGGGU-GFCCVEGCSA-N 1 2 362.879 1.595 20 70 FDIDLO Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000160408493 524881283 /nfs/dbraw/zinc/88/12/83/524881283.db2.gz GYNKACSCPNKVDX-OAHLLOKOSA-N 1 2 363.483 1.790 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N(C)C1CCCCC1 ZINC000160450356 524891097 /nfs/dbraw/zinc/89/10/97/524891097.db2.gz BCNHMEIPLCZCDA-UHFFFAOYSA-N 1 2 360.458 1.956 20 70 FDIDLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1 ZINC000160599975 524926231 /nfs/dbraw/zinc/92/62/31/524926231.db2.gz IDPBUJQEJZCZDL-HNNXBMFYSA-N 1 2 361.486 1.913 20 70 FDIDLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)c1cccc2[nH]c(=O)oc21 ZINC000160627233 524933890 /nfs/dbraw/zinc/93/38/90/524933890.db2.gz FFCJYEKDSJSMLW-QGZVFWFLSA-N 1 2 363.439 1.059 20 70 FDIDLO O=C1[C@@H]([N@@H+]2CCC3(C2)OCCO3)CCN1c1ccccc1OC(F)F ZINC000160725825 524959197 /nfs/dbraw/zinc/95/91/97/524959197.db2.gz HMKGYFSKAREWJH-ZDUSSCGKSA-N 1 2 354.353 1.842 20 70 FDIDLO O=C1[C@@H]([N@H+]2CCC3(C2)OCCO3)CCN1c1ccccc1OC(F)F ZINC000160725825 524959202 /nfs/dbraw/zinc/95/92/02/524959202.db2.gz HMKGYFSKAREWJH-ZDUSSCGKSA-N 1 2 354.353 1.842 20 70 FDIDLO COCCNC(=O)[C@H](CC(C)C)Nc1nc(N(C)C)nc(C(C)C)[nH+]1 ZINC000160870463 524985496 /nfs/dbraw/zinc/98/54/96/524985496.db2.gz IHVDGJJSXMZISZ-ZDUSSCGKSA-N 1 2 352.483 1.650 20 70 FDIDLO COCCNC(=O)[C@H](CC(C)C)Nc1nc(C(C)C)[nH+]c(N(C)C)n1 ZINC000160870463 524985505 /nfs/dbraw/zinc/98/55/05/524985505.db2.gz IHVDGJJSXMZISZ-ZDUSSCGKSA-N 1 2 352.483 1.650 20 70 FDIDLO CCS(=O)(=O)CCN(C)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000160885796 524990445 /nfs/dbraw/zinc/99/04/45/524990445.db2.gz WJJUPGXGBCCGQV-HNNXBMFYSA-N 1 2 371.503 1.801 20 70 FDIDLO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)c1nccs1 ZINC000161079148 525028153 /nfs/dbraw/zinc/02/81/53/525028153.db2.gz GNBYVKSBNDTXRG-GWCFXTLKSA-N 1 2 368.484 1.858 20 70 FDIDLO O=C(CCCNC(=O)c1cccnc1)N1CC[NH+](Cc2ccncc2)CC1 ZINC000161145216 525044089 /nfs/dbraw/zinc/04/40/89/525044089.db2.gz KXDUUWMEGOKBHH-UHFFFAOYSA-N 1 2 367.453 1.331 20 70 FDIDLO O=C(C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)NC(=O)NCc1ccco1 ZINC000161312126 525079459 /nfs/dbraw/zinc/07/94/59/525079459.db2.gz DXEXXUZPRJATRA-ZDUSSCGKSA-N 1 2 363.336 1.241 20 70 FDIDLO C[C@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000161329467 525082179 /nfs/dbraw/zinc/08/21/79/525082179.db2.gz DJUWCYPQSGXTIW-INIZCTEOSA-N 1 2 355.438 1.686 20 70 FDIDLO COC(=O)[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccc(O)cc1 ZINC000161394186 525098849 /nfs/dbraw/zinc/09/88/49/525098849.db2.gz HCFZXAOBOCRYFM-CABCVRRESA-N 1 2 357.410 1.299 20 70 FDIDLO CC[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1cccc(S(N)(=O)=O)c1 ZINC000161421989 525104570 /nfs/dbraw/zinc/10/45/70/525104570.db2.gz VZUXUURGYIATNB-UKRRQHHQSA-N 1 2 362.455 1.360 20 70 FDIDLO CCc1ccc(C[NH+]2CCN(C[C@H](O)CN3CCOCC3)CC2)s1 ZINC000161426670 525106194 /nfs/dbraw/zinc/10/61/94/525106194.db2.gz HKISQYSEXFHEDT-INIZCTEOSA-N 1 2 353.532 1.121 20 70 FDIDLO Cc1cnn(Cc2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)no2)c1 ZINC000161460110 525113844 /nfs/dbraw/zinc/11/38/44/525113844.db2.gz ODTXHRHDSMMPDL-KRWDZBQOSA-N 1 2 361.446 1.314 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@H+](C)Cc2c(C)nc3ccccn32)CC1 ZINC000159556666 524694917 /nfs/dbraw/zinc/69/49/17/524694917.db2.gz RCVKXUIHYYFEMV-UHFFFAOYSA-N 1 2 372.469 1.876 20 70 FDIDLO CCOC(=O)C1CCN(C(=O)C[N@@H+](C)Cc2c(C)nc3ccccn32)CC1 ZINC000159556666 524694932 /nfs/dbraw/zinc/69/49/32/524694932.db2.gz RCVKXUIHYYFEMV-UHFFFAOYSA-N 1 2 372.469 1.876 20 70 FDIDLO CC(C)C(=O)NCCN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000159659104 524714273 /nfs/dbraw/zinc/71/42/73/524714273.db2.gz SVTHWXNGVAEITK-UHFFFAOYSA-N 1 2 362.474 1.755 20 70 FDIDLO COCCCNC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159680230 524719354 /nfs/dbraw/zinc/71/93/54/524719354.db2.gz IJHRMURVFQCXKL-MRXNPFEDSA-N 1 2 367.877 1.920 20 70 FDIDLO COCCCNC(=O)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159680230 524719362 /nfs/dbraw/zinc/71/93/62/524719362.db2.gz IJHRMURVFQCXKL-MRXNPFEDSA-N 1 2 367.877 1.920 20 70 FDIDLO COC[C@@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1)C1CC1 ZINC000159697909 524723175 /nfs/dbraw/zinc/72/31/75/524723175.db2.gz JZVGESWBNHYEGZ-RTBURBONSA-N 1 2 361.486 1.654 20 70 FDIDLO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159732728 524729575 /nfs/dbraw/zinc/72/95/75/524729575.db2.gz DJXPQRHXSISIJD-WCQYABFASA-N 1 2 355.232 1.861 20 70 FDIDLO COC(=O)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000159732728 524729577 /nfs/dbraw/zinc/72/95/77/524729577.db2.gz DJXPQRHXSISIJD-WCQYABFASA-N 1 2 355.232 1.861 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCc1cccs1 ZINC000159810895 524743052 /nfs/dbraw/zinc/74/30/52/524743052.db2.gz LMUCDIQDCQTMIC-UHFFFAOYSA-N 1 2 374.466 1.586 20 70 FDIDLO COc1ccc(CN(C)C(=O)CSCC[NH+]2CCOCC2)cc1F ZINC000159878065 524760571 /nfs/dbraw/zinc/76/05/71/524760571.db2.gz PJLBNONUKSXQKX-UHFFFAOYSA-N 1 2 356.463 1.858 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NCCc2[nH+]ccn2Cc2ccccc2)cn1 ZINC000159936390 524770271 /nfs/dbraw/zinc/77/02/71/524770271.db2.gz YDMSOAHDSFQAAP-UHFFFAOYSA-N 1 2 363.421 1.932 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@H+]([C@H]1CCCN(c3ccccc3F)C1=O)CC2 ZINC000159984392 524781752 /nfs/dbraw/zinc/78/17/52/524781752.db2.gz DRJQPQWZLICCSC-KRWDZBQOSA-N 1 2 356.401 1.473 20 70 FDIDLO Cn1nc2c(cc1=O)C[N@@H+]([C@H]1CCCN(c3ccccc3F)C1=O)CC2 ZINC000159984392 524781764 /nfs/dbraw/zinc/78/17/64/524781764.db2.gz DRJQPQWZLICCSC-KRWDZBQOSA-N 1 2 356.401 1.473 20 70 FDIDLO CN1C[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCC1=O ZINC000160119477 524814572 /nfs/dbraw/zinc/81/45/72/524814572.db2.gz IQVYCZWKPPNYJX-RISCZKNCSA-N 1 2 354.401 1.488 20 70 FDIDLO O=C(NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000160203574 524831632 /nfs/dbraw/zinc/83/16/32/524831632.db2.gz SWWDIKMUTJTOOV-KRWDZBQOSA-N 1 2 352.438 1.884 20 70 FDIDLO C[C@H](NC(=O)N1CC[NH+](Cc2ccccn2)CC1)C(=O)N1CCCCC1 ZINC000160297577 524852875 /nfs/dbraw/zinc/85/28/75/524852875.db2.gz ZXSQRJAHUTXPLY-INIZCTEOSA-N 1 2 359.474 1.310 20 70 FDIDLO Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)c(C)o1 ZINC000160450348 524892398 /nfs/dbraw/zinc/89/23/98/524892398.db2.gz DXCLPJZIUIDKON-HNNXBMFYSA-N 1 2 356.426 1.640 20 70 FDIDLO C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)CC1 ZINC000160476104 524898100 /nfs/dbraw/zinc/89/81/00/524898100.db2.gz UHEPUODEKOYCDW-UHFFFAOYSA-N 1 2 363.421 1.738 20 70 FDIDLO OCCn1nccc1C1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000160562732 524915862 /nfs/dbraw/zinc/91/58/62/524915862.db2.gz LXSAKVFTAWTGSJ-UHFFFAOYSA-N 1 2 352.442 1.836 20 70 FDIDLO CNC(=O)COc1cccc(CC(=O)NCCc2cn3ccccc3[nH+]2)c1 ZINC000160686898 524948509 /nfs/dbraw/zinc/94/85/09/524948509.db2.gz UUVAILRYHIXEAW-UHFFFAOYSA-N 1 2 366.421 1.361 20 70 FDIDLO CC(C)C[C@@H](CO)NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C ZINC000161014963 525016195 /nfs/dbraw/zinc/01/61/95/525016195.db2.gz RHLKXLFBSXCZQD-AWEZNQCLSA-N 1 2 356.488 1.159 20 70 FDIDLO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161168539 525048956 /nfs/dbraw/zinc/04/89/56/525048956.db2.gz UWTJPUUVSAXGBY-YPMHNXCESA-N 1 2 369.824 1.279 20 70 FDIDLO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161168539 525048968 /nfs/dbraw/zinc/04/89/68/525048968.db2.gz UWTJPUUVSAXGBY-YPMHNXCESA-N 1 2 369.824 1.279 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCCc1ccccc1 ZINC000159711106 173686431 /nfs/dbraw/zinc/68/64/31/173686431.db2.gz VYKPIOUPWSGNOR-UHFFFAOYSA-N 1 2 368.437 1.524 20 70 FDIDLO CN(CC(C)(C)C[NH+]1CCOCC1)S(=O)(=O)Cc1cccc(F)c1 ZINC000159431643 524668831 /nfs/dbraw/zinc/66/88/31/524668831.db2.gz XZOXXWMSCJHQSB-UHFFFAOYSA-N 1 2 358.479 1.946 20 70 FDIDLO CCS(=O)(=O)c1cccc(CC(=O)N[C@@H]2CCc3[nH+]c(C)cn3C2)c1 ZINC000159598188 524706672 /nfs/dbraw/zinc/70/66/72/524706672.db2.gz KKHHQFNUFCJTCQ-OAHLLOKOSA-N 1 2 361.467 1.659 20 70 FDIDLO C[N@@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000159674905 524719036 /nfs/dbraw/zinc/71/90/36/524719036.db2.gz IFQNEVNFQJCQEU-KBPBESRZSA-N 1 2 372.252 1.265 20 70 FDIDLO C[N@H+]1CCO[C@H]2CN(C(=O)CNC(=O)c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000159674905 524719048 /nfs/dbraw/zinc/71/90/48/524719048.db2.gz IFQNEVNFQJCQEU-KBPBESRZSA-N 1 2 372.252 1.265 20 70 FDIDLO CCOCC[NH+]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2F)CC1 ZINC000159726344 524726639 /nfs/dbraw/zinc/72/66/39/524726639.db2.gz VIRYXUKBFJKTSV-UHFFFAOYSA-N 1 2 364.421 1.150 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000159761100 524733509 /nfs/dbraw/zinc/73/35/09/524733509.db2.gz AVZKSADRJDGFAR-ZFWWWQNUSA-N 1 2 360.458 1.860 20 70 FDIDLO C[N@@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@H]1CCC[C@@H]1O ZINC000159757503 524733595 /nfs/dbraw/zinc/73/35/95/524733595.db2.gz FFUGDDFPFMMNEI-ABAIWWIYSA-N 1 2 358.435 1.261 20 70 FDIDLO C[N@H+](CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@H]1CCC[C@@H]1O ZINC000159757503 524733604 /nfs/dbraw/zinc/73/36/04/524733604.db2.gz FFUGDDFPFMMNEI-ABAIWWIYSA-N 1 2 358.435 1.261 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cn1 ZINC000159779257 524737730 /nfs/dbraw/zinc/73/77/30/524737730.db2.gz ITXFERJORZZUAA-GOSISDBHSA-N 1 2 368.437 1.346 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cn1 ZINC000159779257 524737736 /nfs/dbraw/zinc/73/77/36/524737736.db2.gz ITXFERJORZZUAA-GOSISDBHSA-N 1 2 368.437 1.346 20 70 FDIDLO O=C(Nc1ccnn1C[C@@H]1CCOC1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000159813375 524742486 /nfs/dbraw/zinc/74/24/86/524742486.db2.gz XYQNXJCHKKWFEQ-JKSUJKDBSA-N 1 2 363.462 1.248 20 70 FDIDLO CO[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC000159831259 524749211 /nfs/dbraw/zinc/74/92/11/524749211.db2.gz NDZOZTPVGMZTOC-QZTJIDSGSA-N 1 2 374.485 1.056 20 70 FDIDLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@H](C)C1 ZINC000159901160 524764815 /nfs/dbraw/zinc/76/48/15/524764815.db2.gz UTDICDUUEOCVAV-SNVBAGLBSA-N 1 2 360.336 1.205 20 70 FDIDLO COC(=O)CC[N@H+]1CCN(C(=O)c2cnc(C(F)(F)F)nc2)[C@H](C)C1 ZINC000159901160 524764827 /nfs/dbraw/zinc/76/48/27/524764827.db2.gz UTDICDUUEOCVAV-SNVBAGLBSA-N 1 2 360.336 1.205 20 70 FDIDLO Cc1c(NC(=O)C(=O)NCCCn2cc[nH+]c2)cnn1-c1ccccc1F ZINC000159923078 524768576 /nfs/dbraw/zinc/76/85/76/524768576.db2.gz DSCOTTPWCPMRAV-UHFFFAOYSA-N 1 2 370.388 1.661 20 70 FDIDLO CNS(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160352747 524864447 /nfs/dbraw/zinc/86/44/47/524864447.db2.gz VLLNXYMIWDNMAD-GXTWGEPZSA-N 1 2 362.455 1.231 20 70 FDIDLO CC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000160357062 524867965 /nfs/dbraw/zinc/86/79/65/524867965.db2.gz XNEBTHOKVJIJHQ-INIZCTEOSA-N 1 2 362.499 1.856 20 70 FDIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160370681 524872618 /nfs/dbraw/zinc/87/26/18/524872618.db2.gz SBYMHNCFAFTLGW-MLGOLLRUSA-N 1 2 365.861 1.438 20 70 FDIDLO C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160370681 524872629 /nfs/dbraw/zinc/87/26/29/524872629.db2.gz SBYMHNCFAFTLGW-MLGOLLRUSA-N 1 2 365.861 1.438 20 70 FDIDLO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398685 524878526 /nfs/dbraw/zinc/87/85/26/524878526.db2.gz ZVYJDRVYOZGERH-SUMWQHHRSA-N 1 2 365.380 1.437 20 70 FDIDLO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)[C@H]1CC(c2cc(F)ccc2F)=NO1 ZINC000160398685 524878536 /nfs/dbraw/zinc/87/85/36/524878536.db2.gz ZVYJDRVYOZGERH-SUMWQHHRSA-N 1 2 365.380 1.437 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000160428298 524887715 /nfs/dbraw/zinc/88/77/15/524887715.db2.gz WIIBPNDWMNLWFH-CVEARBPZSA-N 1 2 351.491 1.393 20 70 FDIDLO CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000160428298 524887726 /nfs/dbraw/zinc/88/77/26/524887726.db2.gz WIIBPNDWMNLWFH-CVEARBPZSA-N 1 2 351.491 1.393 20 70 FDIDLO CC[C@@H](C)[C@H](O)CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160432965 524888039 /nfs/dbraw/zinc/88/80/39/524888039.db2.gz ROEJYTQANLYCAG-HZPDHXFCSA-N 1 2 362.474 1.034 20 70 FDIDLO Cc1cc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)ccc1-n1cnnn1 ZINC000160637929 524934995 /nfs/dbraw/zinc/93/49/95/524934995.db2.gz XNMJGHIJOJWDHR-HNNXBMFYSA-N 1 2 364.413 1.766 20 70 FDIDLO Cc1c(NC(=O)C(=O)N2CC[NH+](C3CC3)CC2)cnn1-c1ccccc1 ZINC000160809639 524973953 /nfs/dbraw/zinc/97/39/53/524973953.db2.gz GGCXQOLTXIRTSE-UHFFFAOYSA-N 1 2 353.426 1.426 20 70 FDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2ccccc2OC(F)F)CC1 ZINC000160820869 524977787 /nfs/dbraw/zinc/97/77/87/524977787.db2.gz IEJRZKAISSWECF-UHFFFAOYSA-N 1 2 364.414 1.365 20 70 FDIDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@@H](CO)CC(C)C)CC2 ZINC000160839847 524980541 /nfs/dbraw/zinc/98/05/41/524980541.db2.gz DHCLYZNNSMJATK-MRXNPFEDSA-N 1 2 350.459 1.585 20 70 FDIDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@@H](CO)CC(C)C)CC2 ZINC000160839847 524980548 /nfs/dbraw/zinc/98/05/48/524980548.db2.gz DHCLYZNNSMJATK-MRXNPFEDSA-N 1 2 350.459 1.585 20 70 FDIDLO CCOC(=O)c1c(C)oc2nc(C[NH+]3CCC([C@@H](C)O)CC3)nc(N)c21 ZINC000161060190 525025550 /nfs/dbraw/zinc/02/55/50/525025550.db2.gz KLJRTMFKQSLMAZ-SNVBAGLBSA-N 1 2 362.430 1.883 20 70 FDIDLO Cn1cc[nH+]c1CN1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000161164453 525046700 /nfs/dbraw/zinc/04/67/00/525046700.db2.gz RHKSOPIPFUVSAA-OIISXLGYSA-N 1 2 359.474 1.205 20 70 FDIDLO O=C(c1ccc(F)cc1F)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161159475 525046836 /nfs/dbraw/zinc/04/68/36/525046836.db2.gz JQAUTVZPQUOJCU-ZDUSSCGKSA-N 1 2 374.391 1.708 20 70 FDIDLO Cc1ccc(F)c(OCC(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000161241508 525062758 /nfs/dbraw/zinc/06/27/58/525062758.db2.gz VFEWXNFTTXVUCS-SFHVURJKSA-N 1 2 368.474 1.837 20 70 FDIDLO CC[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)c1cccc(S(N)(=O)=O)c1 ZINC000161422116 525104880 /nfs/dbraw/zinc/10/48/80/525104880.db2.gz VZUXUURGYIATNB-ZFWWWQNUSA-N 1 2 362.455 1.360 20 70 FDIDLO C[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000161047017 258263515 /nfs/dbraw/zinc/26/35/15/258263515.db2.gz NXMKAGXDKUQSPZ-KBPBESRZSA-N 1 2 358.446 1.713 20 70 FDIDLO CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000159365005 173674786 /nfs/dbraw/zinc/67/47/86/173674786.db2.gz GJVLSRFLONAZAB-HNNXBMFYSA-N 1 2 360.439 1.597 20 70 FDIDLO CCOC(=O)CN(C)CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000159500869 524684798 /nfs/dbraw/zinc/68/47/98/524684798.db2.gz KQMRRRYDAAXCKQ-UHFFFAOYSA-N 1 2 367.877 1.479 20 70 FDIDLO C[C@H]1CC(=O)CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000159659663 524716116 /nfs/dbraw/zinc/71/61/16/524716116.db2.gz CRPREQRCTPGISE-DOTOQJQBSA-N 1 2 359.474 1.110 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccccc1F ZINC000159770022 524734468 /nfs/dbraw/zinc/73/44/68/524734468.db2.gz BUVQZMWFGOPEHD-UHFFFAOYSA-N 1 2 372.400 1.621 20 70 FDIDLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159857781 524755888 /nfs/dbraw/zinc/75/58/88/524755888.db2.gz KXEZJHASEWZIMN-YDHLFZDLSA-N 1 2 354.472 1.510 20 70 FDIDLO C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159857781 524755899 /nfs/dbraw/zinc/75/58/99/524755899.db2.gz KXEZJHASEWZIMN-YDHLFZDLSA-N 1 2 354.472 1.510 20 70 FDIDLO CC[N@@H+]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000159917143 524767119 /nfs/dbraw/zinc/76/71/19/524767119.db2.gz ARDHUADOMSYWRQ-UHFFFAOYSA-N 1 2 365.566 1.674 20 70 FDIDLO CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCS1(=O)=O ZINC000159951823 524776119 /nfs/dbraw/zinc/77/61/19/524776119.db2.gz JCXODCWDSUJPDN-INIZCTEOSA-N 1 2 350.484 1.687 20 70 FDIDLO CC1(C)CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCS1(=O)=O ZINC000159951823 524776124 /nfs/dbraw/zinc/77/61/24/524776124.db2.gz JCXODCWDSUJPDN-INIZCTEOSA-N 1 2 350.484 1.687 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000160091904 524806741 /nfs/dbraw/zinc/80/67/41/524806741.db2.gz YUPISMLJZVXNMN-UHFFFAOYSA-N 1 2 355.398 1.958 20 70 FDIDLO COCCC[N@H+](Cc1c(C)nc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000160284928 524849719 /nfs/dbraw/zinc/84/97/19/524849719.db2.gz RHZNJPNTEHVESC-OAHLLOKOSA-N 1 2 351.472 1.668 20 70 FDIDLO COCCC[N@@H+](Cc1c(C)nc2ccccn21)[C@@H]1CCS(=O)(=O)C1 ZINC000160284928 524849727 /nfs/dbraw/zinc/84/97/27/524849727.db2.gz RHZNJPNTEHVESC-OAHLLOKOSA-N 1 2 351.472 1.668 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)NCCCCNc2cccc[nH+]2)c1CC ZINC000160317448 524855540 /nfs/dbraw/zinc/85/55/40/524855540.db2.gz OJMJKLISKCSBPI-UHFFFAOYSA-N 1 2 372.473 1.981 20 70 FDIDLO CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000160352885 524865273 /nfs/dbraw/zinc/86/52/73/524865273.db2.gz VLLNXYMIWDNMAD-TZMCWYRMSA-N 1 2 362.455 1.231 20 70 FDIDLO C[C@H](CNS(=O)(=O)c1cnn(-c2ccccc2)c1)C[NH+]1CCOCC1 ZINC000160372375 524872653 /nfs/dbraw/zinc/87/26/53/524872653.db2.gz YCJBQUWQXSNXHX-OAHLLOKOSA-N 1 2 364.471 1.119 20 70 FDIDLO CCc1n[nH]c(=O)c(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1CC ZINC000160380131 524873764 /nfs/dbraw/zinc/87/37/64/524873764.db2.gz AXVYWQMDTVPKPN-CQSZACIVSA-N 1 2 371.441 1.653 20 70 FDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 ZINC000160386731 524875783 /nfs/dbraw/zinc/87/57/83/524875783.db2.gz YQPBRHMAISOVCZ-IRXDYDNUSA-N 1 2 366.506 1.140 20 70 FDIDLO CCN(CC)C(=O)C[NH+]1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 ZINC000160386993 524876044 /nfs/dbraw/zinc/87/60/44/524876044.db2.gz YQPBRHMAISOVCZ-DLBZAZTESA-N 1 2 366.506 1.140 20 70 FDIDLO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(O)c(Br)c1 ZINC000160597611 524924052 /nfs/dbraw/zinc/92/40/52/524924052.db2.gz YZQAXWPOOBDQIX-LLVKDONJSA-N 1 2 372.263 1.675 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(CC(N)=O)CC3)c2c1 ZINC000160595005 524925910 /nfs/dbraw/zinc/92/59/10/524925910.db2.gz XUGRLAVUWXTWGS-UHFFFAOYSA-N 1 2 357.410 1.725 20 70 FDIDLO O=C(CNC(=O)c1cccnc1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160830017 524978618 /nfs/dbraw/zinc/97/86/18/524978618.db2.gz HEIDQEFBOXNKIU-UHFFFAOYSA-N 1 2 359.455 1.893 20 70 FDIDLO Cc1ccc(S(=O)(=O)N2CC[NH+](CC(C)(C)O)CC2)c2cccnc12 ZINC000160826879 524979146 /nfs/dbraw/zinc/97/91/46/524979146.db2.gz FDFSTYLORCWVLL-UHFFFAOYSA-N 1 2 363.483 1.620 20 70 FDIDLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N[C@H](CO)CC(C)C)CC2 ZINC000160839701 524982688 /nfs/dbraw/zinc/98/26/88/524982688.db2.gz DHCLYZNNSMJATK-INIZCTEOSA-N 1 2 350.459 1.585 20 70 FDIDLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N[C@H](CO)CC(C)C)CC2 ZINC000160839701 524982697 /nfs/dbraw/zinc/98/26/97/524982697.db2.gz DHCLYZNNSMJATK-INIZCTEOSA-N 1 2 350.459 1.585 20 70 FDIDLO CC(=O)N1CSC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000160873924 524988581 /nfs/dbraw/zinc/98/85/81/524988581.db2.gz MDMFWAOWLGKMMQ-CYBMUJFWSA-N 1 2 354.501 1.989 20 70 FDIDLO CC(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160977321 525009068 /nfs/dbraw/zinc/00/90/68/525009068.db2.gz GLPYJSCYRMWOFL-INIZCTEOSA-N 1 2 362.474 1.034 20 70 FDIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H]2CCc3ncnn3C2)CC1 ZINC000160998944 525011675 /nfs/dbraw/zinc/01/16/75/525011675.db2.gz FAHUCMJOMWVXPI-GDBMZVCRSA-N 1 2 355.446 1.076 20 70 FDIDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)CC1 ZINC000160999204 525013478 /nfs/dbraw/zinc/01/34/78/525013478.db2.gz FAHUCMJOMWVXPI-ZBFHGGJFSA-N 1 2 355.446 1.076 20 70 FDIDLO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057424 525024499 /nfs/dbraw/zinc/02/44/99/525024499.db2.gz DUGLGOQLENISMX-KBPBESRZSA-N 1 2 371.359 1.801 20 70 FDIDLO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1)NC(=O)NC1CC1 ZINC000161057424 525024510 /nfs/dbraw/zinc/02/45/10/525024510.db2.gz DUGLGOQLENISMX-KBPBESRZSA-N 1 2 371.359 1.801 20 70 FDIDLO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000161059926 525025520 /nfs/dbraw/zinc/02/55/20/525025520.db2.gz WDCNJHWIIFCRMF-XQQFMLRXSA-N 1 2 359.517 1.608 20 70 FDIDLO C[C@@H](Oc1cccc(CO)c1)C(=O)N1CC[NH+](Cc2ccccn2)CC1 ZINC000161169648 525048695 /nfs/dbraw/zinc/04/86/95/525048695.db2.gz FBMCQJRSIOKYRH-MRXNPFEDSA-N 1 2 355.438 1.686 20 70 FDIDLO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000218105394 537459344 /nfs/dbraw/zinc/45/93/44/537459344.db2.gz DUSAUEXJBWCVJE-CQSZACIVSA-N 1 2 361.423 1.425 20 70 FDIDLO Cc1cccc([C@@H](CNC(=O)N2CCC[C@@](C)(O)C2)[NH+]2CCOCC2)c1 ZINC000160280297 258263404 /nfs/dbraw/zinc/26/34/04/258263404.db2.gz RWUVMEKOCPBHCZ-UYAOXDASSA-N 1 2 361.486 1.925 20 70 FDIDLO CCC(CC)(CNC(=O)N1CC[NH+](Cc2ccncc2)CC1)C(=O)OC ZINC000160206856 173702909 /nfs/dbraw/zinc/70/29/09/173702909.db2.gz YSVVYVNDZMHREE-UHFFFAOYSA-N 1 2 362.474 1.888 20 70 FDIDLO COc1ccc(S(=O)(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1 ZINC000159483272 524681087 /nfs/dbraw/zinc/68/10/87/524681087.db2.gz WBSGBTCXTPIMGR-UHFFFAOYSA-N 1 2 356.488 1.674 20 70 FDIDLO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000159709523 524725737 /nfs/dbraw/zinc/72/57/37/524725737.db2.gz KDKCMAQFSGYSRM-KURKYZTESA-N 1 2 374.485 1.052 20 70 FDIDLO CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000159709523 524725745 /nfs/dbraw/zinc/72/57/45/524725745.db2.gz KDKCMAQFSGYSRM-KURKYZTESA-N 1 2 374.485 1.052 20 70 FDIDLO CCN(C(=O)C[N@H+](CCc1nccs1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000159790516 524738640 /nfs/dbraw/zinc/73/86/40/524738640.db2.gz YLESWPYSXCJTAN-AWEZNQCLSA-N 1 2 373.544 1.432 20 70 FDIDLO CCN(C(=O)C[N@@H+](CCc1nccs1)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000159790516 524738644 /nfs/dbraw/zinc/73/86/44/524738644.db2.gz YLESWPYSXCJTAN-AWEZNQCLSA-N 1 2 373.544 1.432 20 70 FDIDLO O=S(=O)(c1ccc(CSCC[NH+]2CCOCC2)o1)N1CCCC1 ZINC000159860710 524755797 /nfs/dbraw/zinc/75/57/97/524755797.db2.gz AEHTWDDMONHWEH-UHFFFAOYSA-N 1 2 360.501 1.630 20 70 FDIDLO Cc1cnccc1CCNC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000159900108 524762810 /nfs/dbraw/zinc/76/28/10/524762810.db2.gz NPPIFEVUYFVXFS-SFHVURJKSA-N 1 2 364.515 1.440 20 70 FDIDLO CC[C@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000160163726 524823288 /nfs/dbraw/zinc/82/32/88/524823288.db2.gz KFIMAWLVXYIFDC-FUHWJXTLSA-N 1 2 365.499 1.997 20 70 FDIDLO COc1ccccc1-c1nnc(C[NH+]2CCN(c3cccnn3)CC2)o1 ZINC000160171693 524824240 /nfs/dbraw/zinc/82/42/40/524824240.db2.gz CNUKLXPGGJQGMF-UHFFFAOYSA-N 1 2 352.398 1.857 20 70 FDIDLO C[N@@H+]1CCO[C@@H]2CN(C(=O)Nc3ccnn3Cc3ccccc3F)C[C@@H]21 ZINC000160418338 524882581 /nfs/dbraw/zinc/88/25/81/524882581.db2.gz ULSARISIRMBOLI-JKSUJKDBSA-N 1 2 359.405 1.617 20 70 FDIDLO C[N@H+]1CCO[C@@H]2CN(C(=O)Nc3ccnn3Cc3ccccc3F)C[C@@H]21 ZINC000160418338 524882594 /nfs/dbraw/zinc/88/25/94/524882594.db2.gz ULSARISIRMBOLI-JKSUJKDBSA-N 1 2 359.405 1.617 20 70 FDIDLO COC(=O)c1ccc2[nH]cc(C(=O)C[NH+]3CCC(NC(C)=O)CC3)c2c1 ZINC000160741633 524963161 /nfs/dbraw/zinc/96/31/61/524963161.db2.gz QZEAXWHMGOZZSW-UHFFFAOYSA-N 1 2 357.410 1.738 20 70 FDIDLO COC(C[NH+]1CCN(C(=O)c2ccc(Br)cc2)CC1)OC ZINC000160816040 524977417 /nfs/dbraw/zinc/97/74/17/524977417.db2.gz FIPFQUPOHMQRLL-UHFFFAOYSA-N 1 2 357.248 1.826 20 70 FDIDLO CC(C)(O)C[NH+]1CCN(S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000160832310 524979168 /nfs/dbraw/zinc/97/91/68/524979168.db2.gz FQYOXWPEOCUIJZ-UHFFFAOYSA-N 1 2 350.843 1.556 20 70 FDIDLO CCN(C(=O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)C1CCCC1 ZINC000160905267 524994268 /nfs/dbraw/zinc/99/42/68/524994268.db2.gz YSADGJTYAYAHAW-UHFFFAOYSA-N 1 2 360.458 1.956 20 70 FDIDLO NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000160914539 524996412 /nfs/dbraw/zinc/99/64/12/524996412.db2.gz VRLPDHMDULEYGF-ZDUSSCGKSA-N 1 2 364.247 1.973 20 70 FDIDLO CS(=O)(=O)NCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996361 525011753 /nfs/dbraw/zinc/01/17/53/525011753.db2.gz VCLZSIUUCCUWQZ-QWHCGFSZSA-N 1 2 352.378 1.362 20 70 FDIDLO CS(=O)(=O)NCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160996361 525011765 /nfs/dbraw/zinc/01/17/65/525011765.db2.gz VCLZSIUUCCUWQZ-QWHCGFSZSA-N 1 2 352.378 1.362 20 70 FDIDLO COc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000161006863 525014725 /nfs/dbraw/zinc/01/47/25/525014725.db2.gz FXRVBXHSBCJOLT-LJQANCHMSA-N 1 2 371.412 1.705 20 70 FDIDLO O=C(NCc1ccccc1C[NH+]1CCOCC1)NOCc1cccnc1 ZINC000161022956 525018540 /nfs/dbraw/zinc/01/85/40/525018540.db2.gz SLRHVXMWUMYPGX-UHFFFAOYSA-N 1 2 356.426 1.845 20 70 FDIDLO CCc1noc(C)c1NC(=O)C(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000161087239 525030106 /nfs/dbraw/zinc/03/01/06/525030106.db2.gz ISVYOYAIFOAMPI-ZDUSSCGKSA-N 1 2 359.430 1.699 20 70 FDIDLO O=C(NC1CC1)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000161108391 525035178 /nfs/dbraw/zinc/03/51/78/525035178.db2.gz JOCYUZKQOFWMOB-DOTOQJQBSA-N 1 2 352.438 1.452 20 70 FDIDLO C[C@@H](CNC(=O)c1ccc(NC(=O)N(C)C)cc1Cl)[NH+]1CCOCC1 ZINC000161200260 525054418 /nfs/dbraw/zinc/05/44/18/525054418.db2.gz YDFJLUDUEMMING-LBPRGKRZSA-N 1 2 368.865 1.884 20 70 FDIDLO COc1ccccc1CCNC(=O)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161249564 525065241 /nfs/dbraw/zinc/06/52/41/525065241.db2.gz GFYQMWNWCSFUAW-QGZVFWFLSA-N 1 2 374.403 1.989 20 70 FDIDLO O=C(c1c(F)cccc1F)N1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000161284951 525071736 /nfs/dbraw/zinc/07/17/36/525071736.db2.gz RDIYRSVCRMCZFB-ZDUSSCGKSA-N 1 2 374.391 1.708 20 70 FDIDLO O=C(Nc1cccnc1N1CCOCC1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000161286476 525072336 /nfs/dbraw/zinc/07/23/36/525072336.db2.gz LJQUEGXKBAGIFO-OAHLLOKOSA-N 1 2 368.441 1.714 20 70 FDIDLO COc1ccc(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(OC)c1OC ZINC000161299916 525075047 /nfs/dbraw/zinc/07/50/47/525075047.db2.gz NRAUFGPEMFEQCZ-AWEZNQCLSA-N 1 2 359.426 1.830 20 70 FDIDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccc(-n2cnnn2)cc1Cl ZINC000161356284 525088235 /nfs/dbraw/zinc/08/82/35/525088235.db2.gz RZBMOYRNZQLDEP-GFCCVEGCSA-N 1 2 369.816 1.719 20 70 FDIDLO C[C@H]([C@H](C)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1)[NH+]1CCOCC1 ZINC000161438729 525108615 /nfs/dbraw/zinc/10/86/15/525108615.db2.gz WEBJHNQTELUGHX-QJPTWQEYSA-N 1 2 374.407 1.759 20 70 FDIDLO COC(=O)[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1cccc(C)c1 ZINC000161463285 525114370 /nfs/dbraw/zinc/11/43/70/525114370.db2.gz QKCQYQULNGHNCH-IRXDYDNUSA-N 1 2 355.438 1.902 20 70 FDIDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@H+](C)C[C@@H](C)O)nc(=O)c2c1C ZINC000159401447 524662182 /nfs/dbraw/zinc/66/21/82/524662182.db2.gz QBPYNXYGYHPZSY-SCZZXKLOSA-N 1 2 353.444 1.843 20 70 FDIDLO CCOC(=O)c1sc2[nH]c([C@H](C)[N@@H+](C)C[C@@H](C)O)nc(=O)c2c1C ZINC000159401447 524662192 /nfs/dbraw/zinc/66/21/92/524662192.db2.gz QBPYNXYGYHPZSY-SCZZXKLOSA-N 1 2 353.444 1.843 20 70 FDIDLO CC(C)[C@H](O)CCNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000159460890 524676342 /nfs/dbraw/zinc/67/63/42/524676342.db2.gz AXBPUDYBAWPBNZ-MRXNPFEDSA-N 1 2 362.474 1.034 20 70 FDIDLO C[C@H](C(=O)N1CCOCC1)[NH+]1CCN(C(=O)[C@H](C)c2cccs2)CC1 ZINC000159554106 524695397 /nfs/dbraw/zinc/69/53/97/524695397.db2.gz PSLMITRVMSOXMA-HUUCEWRRSA-N 1 2 365.499 1.243 20 70 FDIDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+](C)CC(C)(CO)CO ZINC000159579708 524701878 /nfs/dbraw/zinc/70/18/78/524701878.db2.gz KAMDEEVPUUSDGY-UHFFFAOYSA-N 1 2 360.458 1.350 20 70 FDIDLO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+](C)CC(C)(CO)CO ZINC000159579708 524701887 /nfs/dbraw/zinc/70/18/87/524701887.db2.gz KAMDEEVPUUSDGY-UHFFFAOYSA-N 1 2 360.458 1.350 20 70 FDIDLO c1coc(Cn2c(SCCn3cc[nH+]c3)nnc2N2CCOCC2)c1 ZINC000159753537 524734013 /nfs/dbraw/zinc/73/40/13/524734013.db2.gz OKDQFWDSCDLFSX-UHFFFAOYSA-N 1 2 360.443 1.745 20 70 FDIDLO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(=O)[nH][nH]1 ZINC000159765588 524735362 /nfs/dbraw/zinc/73/53/62/524735362.db2.gz CRGXUQIGQYDZTC-CQSZACIVSA-N 1 2 367.413 1.302 20 70 FDIDLO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)c1nc(=O)[nH][nH]1 ZINC000159765588 524735371 /nfs/dbraw/zinc/73/53/71/524735371.db2.gz CRGXUQIGQYDZTC-CQSZACIVSA-N 1 2 367.413 1.302 20 70 FDIDLO FC(F)Oc1ccc(-n2nnnc2CSCC[NH+]2CCOCC2)cc1 ZINC000159811005 524743918 /nfs/dbraw/zinc/74/39/18/524743918.db2.gz HNSRXJRXLXXBQO-UHFFFAOYSA-N 1 2 371.413 1.829 20 70 FDIDLO C[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[N@@H+]1CCc2sccc2C1 ZINC000159865353 524755860 /nfs/dbraw/zinc/75/58/60/524755860.db2.gz BLVSNFPVPUBXGF-JSGCOSHPSA-N 1 2 371.528 1.371 20 70 FDIDLO C[C@@H](CNC(=O)NC[C@@H]1CCCS1(=O)=O)[N@H+]1CCc2sccc2C1 ZINC000159865353 524755868 /nfs/dbraw/zinc/75/58/68/524755868.db2.gz BLVSNFPVPUBXGF-JSGCOSHPSA-N 1 2 371.528 1.371 20 70 FDIDLO COCc1ccc(C[NH+]2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 ZINC000159877591 524759819 /nfs/dbraw/zinc/75/98/19/524759819.db2.gz RTNHEYNNAOJHJH-UHFFFAOYSA-N 1 2 361.467 1.735 20 70 FDIDLO Cc1cnn(-c2ccc(C)cc2NC(=O)C(=O)NCCn2cc[nH+]c2)c1 ZINC000160044833 524796906 /nfs/dbraw/zinc/79/69/06/524796906.db2.gz HCIAGFXYJJCCKR-UHFFFAOYSA-N 1 2 352.398 1.441 20 70 FDIDLO CC(C)Cc1nnc(NC(=O)CCC(=O)N(C)Cc2[nH+]ccn2C)s1 ZINC000160088639 524806288 /nfs/dbraw/zinc/80/62/88/524806288.db2.gz ZGTXOGBUHYIKDD-UHFFFAOYSA-N 1 2 364.475 1.847 20 70 FDIDLO CN1C[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCC1=O ZINC000160119848 524814302 /nfs/dbraw/zinc/81/43/02/524814302.db2.gz IQVYCZWKPPNYJX-SMDDNHRTSA-N 1 2 354.401 1.488 20 70 FDIDLO O=C(NCCCOC1CCOCC1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000160369058 524868966 /nfs/dbraw/zinc/86/89/66/524868966.db2.gz NGBVCHIVRLRWIT-UHFFFAOYSA-N 1 2 362.474 1.495 20 70 FDIDLO CC[N@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2ncccc2c1 ZINC000160597490 524925781 /nfs/dbraw/zinc/92/57/81/524925781.db2.gz QXSWUXBDJIYFOL-INIZCTEOSA-N 1 2 361.467 1.360 20 70 FDIDLO CC[N@@H+](CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc2ncccc2c1 ZINC000160597490 524925790 /nfs/dbraw/zinc/92/57/90/524925790.db2.gz QXSWUXBDJIYFOL-INIZCTEOSA-N 1 2 361.467 1.360 20 70 FDIDLO C[C@@H](C[C@@H]1CCCO1)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160666655 524942176 /nfs/dbraw/zinc/94/21/76/524942176.db2.gz GSTAAAZOOQETJJ-IRXDYDNUSA-N 1 2 374.485 1.584 20 70 FDIDLO O=C(c1cccc(-c2nnc[nH]2)c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000160731909 524960024 /nfs/dbraw/zinc/96/00/24/524960024.db2.gz BPSQCYYOESZWSY-UHFFFAOYSA-N 1 2 355.442 1.656 20 70 FDIDLO CC[C@H](C)CS(=O)(=O)N(CC[NH+](CC)CC)[C@@H]1CCS(=O)(=O)C1 ZINC000160813346 524974723 /nfs/dbraw/zinc/97/47/23/524974723.db2.gz IOTIJWJWBNNDPJ-LSDHHAIUSA-N 1 2 368.565 1.193 20 70 FDIDLO CCOC(=O)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160830990 524978553 /nfs/dbraw/zinc/97/85/53/524978553.db2.gz WJECNDJMMSBVDC-GJZGRUSLSA-N 1 2 365.449 1.794 20 70 FDIDLO CCc1cc(=O)[nH]c(C[NH+]2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000160838442 524982067 /nfs/dbraw/zinc/98/20/67/524982067.db2.gz LUMQUTVRJWMKMA-KBPBESRZSA-N 1 2 362.474 1.592 20 70 FDIDLO CC(C)(C)S(=O)(=O)CC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000160883992 524990011 /nfs/dbraw/zinc/99/00/11/524990011.db2.gz CBWBIMHHPKJIOB-UHFFFAOYSA-N 1 2 353.488 1.376 20 70 FDIDLO CCN(CC)c1ncc(C[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC000160960940 525004205 /nfs/dbraw/zinc/00/42/05/525004205.db2.gz USTJYZWKYREXPD-OAHLLOKOSA-N 1 2 352.504 1.813 20 70 FDIDLO CC[C@H](O)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000160957041 525004947 /nfs/dbraw/zinc/00/49/47/525004947.db2.gz BMILBJLIXKBPPY-LZWOXQAQSA-N 1 2 350.463 1.655 20 70 FDIDLO Cc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)o1 ZINC000161161574 525044711 /nfs/dbraw/zinc/04/47/11/525044711.db2.gz MUDYPIVPAPYMAX-UHFFFAOYSA-N 1 2 351.428 1.614 20 70 FDIDLO Cc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(N)(=O)=O)ccc2C)o1 ZINC000161161574 525044722 /nfs/dbraw/zinc/04/47/22/525044722.db2.gz MUDYPIVPAPYMAX-UHFFFAOYSA-N 1 2 351.428 1.614 20 70 FDIDLO CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCc1cn3ccccc3[nH+]1)CC2 ZINC000161301866 525076472 /nfs/dbraw/zinc/07/64/72/525076472.db2.gz GGTPHJFVEHBRME-HZPDHXFCSA-N 1 2 358.442 1.796 20 70 FDIDLO C[C@H](C(=O)N1CCOC[C@H]1C1CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000161349292 525087215 /nfs/dbraw/zinc/08/72/15/525087215.db2.gz DYSLRYYFNGHRLF-BEFAXECRSA-N 1 2 361.461 1.974 20 70 FDIDLO Cc1ccccc1[C@@H](CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)NC(N)=O ZINC000161425179 525104842 /nfs/dbraw/zinc/10/48/42/525104842.db2.gz XZBLFELQTZXREZ-DOTOQJQBSA-N 1 2 367.453 1.885 20 70 FDIDLO Cn1c(=O)cccc1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC000161435783 525108732 /nfs/dbraw/zinc/10/87/32/525108732.db2.gz QKKSWOXENACPTB-UHFFFAOYSA-N 1 2 371.437 1.026 20 70 FDIDLO O=C(C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)NCCOc1ccccc1 ZINC000161493084 525117652 /nfs/dbraw/zinc/11/76/52/525117652.db2.gz QRKJEPXJFOYSGU-MRXNPFEDSA-N 1 2 360.376 1.817 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000161479946 173742933 /nfs/dbraw/zinc/74/29/33/173742933.db2.gz QYKURTGCRWJHRL-INIZCTEOSA-N 1 2 362.455 1.746 20 70 FDIDLO Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000161479946 173742936 /nfs/dbraw/zinc/74/29/36/173742936.db2.gz QYKURTGCRWJHRL-INIZCTEOSA-N 1 2 362.455 1.746 20 70 FDIDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CCCS1(=O)=O ZINC000159379845 524656156 /nfs/dbraw/zinc/65/61/56/524656156.db2.gz PYHUULIFQGGZHD-CQSZACIVSA-N 1 2 352.460 1.058 20 70 FDIDLO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000159439486 524670504 /nfs/dbraw/zinc/67/05/04/524670504.db2.gz NTJHRQRSALOFAC-NWDGAFQWSA-N 1 2 373.423 1.286 20 70 FDIDLO COC[C@@H](O)CNC(=O)c1ccccc1OCc1cn2cccc(C)c2[nH+]1 ZINC000159540851 524691974 /nfs/dbraw/zinc/69/19/74/524691974.db2.gz YYALTDCXOKYAHE-INIZCTEOSA-N 1 2 369.421 1.959 20 70 FDIDLO CCOCCC[NH+]1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000159536111 524693102 /nfs/dbraw/zinc/69/31/02/524693102.db2.gz ZIGVIKHESKOGPQ-UHFFFAOYSA-N 1 2 352.460 1.296 20 70 FDIDLO C[C@@H](C(=O)N1CC[NH+]([C@@H](C)C(=O)N2CCOCC2)CC1)c1ccsc1 ZINC000159554627 524694477 /nfs/dbraw/zinc/69/44/77/524694477.db2.gz VLMQAEFMIWKURN-CABCVRRESA-N 1 2 365.499 1.243 20 70 FDIDLO CNC(=O)[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000159554844 524694554 /nfs/dbraw/zinc/69/45/54/524694554.db2.gz KUEHIUYCJWLDRE-HNNXBMFYSA-N 1 2 359.405 1.469 20 70 FDIDLO CNC(=O)[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000159554844 524694560 /nfs/dbraw/zinc/69/45/60/524694560.db2.gz KUEHIUYCJWLDRE-HNNXBMFYSA-N 1 2 359.405 1.469 20 70 FDIDLO Cn1c(=O)c2c(SCCn3cc[nH+]c3)nc(C(C)(C)C)nc2n(C)c1=O ZINC000159698833 524722756 /nfs/dbraw/zinc/72/27/56/524722756.db2.gz PAOLLSUCZOTWLN-UHFFFAOYSA-N 1 2 374.470 1.314 20 70 FDIDLO C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1nnc2n1CCCC2 ZINC000159781453 524736085 /nfs/dbraw/zinc/73/60/85/524736085.db2.gz FXBTUPRVDXLBGB-CYBMUJFWSA-N 1 2 357.462 1.750 20 70 FDIDLO COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159801858 524740905 /nfs/dbraw/zinc/74/09/05/524740905.db2.gz XOWNJVALDPZWSR-ZDUSSCGKSA-N 1 2 356.369 1.768 20 70 FDIDLO COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000159801858 524740912 /nfs/dbraw/zinc/74/09/12/524740912.db2.gz XOWNJVALDPZWSR-ZDUSSCGKSA-N 1 2 356.369 1.768 20 70 FDIDLO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C2CCOCC2)CC1 ZINC000159853409 524753059 /nfs/dbraw/zinc/75/30/59/524753059.db2.gz WGSVGEZYGFKLBF-MRXNPFEDSA-N 1 2 352.523 1.471 20 70 FDIDLO COc1ccccc1Nc1nc(N)nc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000159864175 524755035 /nfs/dbraw/zinc/75/50/35/524755035.db2.gz FIKVTXZOMNELQW-OCCSQVGLSA-N 1 2 358.446 1.799 20 70 FDIDLO COc1ccccc1Nc1nc(N)nc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)n1 ZINC000159864175 524755042 /nfs/dbraw/zinc/75/50/42/524755042.db2.gz FIKVTXZOMNELQW-OCCSQVGLSA-N 1 2 358.446 1.799 20 70 FDIDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000160029056 524792748 /nfs/dbraw/zinc/79/27/48/524792748.db2.gz DLFBCALEZGMNIR-QGZVFWFLSA-N 1 2 365.499 1.481 20 70 FDIDLO O=C(NC[C@H]1CCCS1(=O)=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000160029056 524792761 /nfs/dbraw/zinc/79/27/61/524792761.db2.gz DLFBCALEZGMNIR-QGZVFWFLSA-N 1 2 365.499 1.481 20 70 FDIDLO CC[C@@]1(C)C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1 ZINC000160163860 524823412 /nfs/dbraw/zinc/82/34/12/524823412.db2.gz KFIMAWLVXYIFDC-WMZOPIPTSA-N 1 2 365.499 1.997 20 70 FDIDLO CN(C[C@@H]1CCCCO1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160374685 524871106 /nfs/dbraw/zinc/87/11/06/524871106.db2.gz MINOGGSNJLNPIA-KRWDZBQOSA-N 1 2 374.485 1.538 20 70 FDIDLO COc1c(C)cc(S(=O)(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1C ZINC000160373678 524872028 /nfs/dbraw/zinc/87/20/28/524872028.db2.gz YARRIWBJDQOITB-CYBMUJFWSA-N 1 2 356.488 1.559 20 70 FDIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)[nH]n1 ZINC000160405012 524881347 /nfs/dbraw/zinc/88/13/47/524881347.db2.gz GITJOSMUOIEGEH-AWEZNQCLSA-N 1 2 358.446 1.020 20 70 FDIDLO Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)[nH]n1 ZINC000160405012 524881353 /nfs/dbraw/zinc/88/13/53/524881353.db2.gz GITJOSMUOIEGEH-AWEZNQCLSA-N 1 2 358.446 1.020 20 70 FDIDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000160456701 524893686 /nfs/dbraw/zinc/89/36/86/524893686.db2.gz BDZNDPOZZDNEGL-ZIAGYGMSSA-N 1 2 360.458 1.670 20 70 FDIDLO COCCCNC(=O)[C@H](C)N1CC[NH+](Cc2sc(C)nc2C)CC1 ZINC000160589300 524922869 /nfs/dbraw/zinc/92/28/69/524922869.db2.gz FOVIYDFBNRFHLL-AWEZNQCLSA-N 1 2 354.520 1.419 20 70 FDIDLO Cc1ccc(NC(=O)C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cn1 ZINC000160607596 524926775 /nfs/dbraw/zinc/92/67/75/524926775.db2.gz RKZNREKZNRSMIX-UHFFFAOYSA-N 1 2 368.437 1.552 20 70 FDIDLO CC(=O)N[C@H](CC(=O)N[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000160603103 524928281 /nfs/dbraw/zinc/92/82/81/524928281.db2.gz DEWOXAZOWJWEOA-YVEFUNNKSA-N 1 2 369.412 1.369 20 70 FDIDLO CC(C)[C@H](CCO)NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000160638049 524936560 /nfs/dbraw/zinc/93/65/60/524936560.db2.gz KTSIXEWKNCKPGU-QAPCUYQASA-N 1 2 351.466 1.859 20 70 FDIDLO Cc1c(/C=C/C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)cnn1C ZINC000160870889 524988297 /nfs/dbraw/zinc/98/82/97/524988297.db2.gz IPAMCRXXFRZZAA-IDOMTICXSA-N 1 2 350.488 1.066 20 70 FDIDLO CC(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000160977434 525008050 /nfs/dbraw/zinc/00/80/50/525008050.db2.gz GLPYJSCYRMWOFL-MRXNPFEDSA-N 1 2 362.474 1.034 20 70 FDIDLO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)[C@@H]1CCS(=O)(=O)C1)c1nccs1 ZINC000161060183 525024119 /nfs/dbraw/zinc/02/41/19/525024119.db2.gz WDCNJHWIIFCRMF-UPJWGTAASA-N 1 2 359.517 1.608 20 70 FDIDLO COc1cccc(-c2ccc(CNC(=O)CN3CC[NH2+]CC3=O)cc2)c1 ZINC000161081442 525028648 /nfs/dbraw/zinc/02/86/48/525028648.db2.gz LOGYJXMKNLHZGG-UHFFFAOYSA-N 1 2 353.422 1.410 20 70 FDIDLO C[C@@H](NC(=O)NCCOc1ccc(Cl)cn1)[C@H](C)[NH+]1CCOCC1 ZINC000161111662 525035431 /nfs/dbraw/zinc/03/54/31/525035431.db2.gz CLQZNQIDKNOLBA-OLZOCXBDSA-N 1 2 356.854 1.522 20 70 FDIDLO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161168416 525048443 /nfs/dbraw/zinc/04/84/43/525048443.db2.gz UWTJPUUVSAXGBY-DGCLKSJQSA-N 1 2 369.824 1.279 20 70 FDIDLO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)C1 ZINC000161168416 525048451 /nfs/dbraw/zinc/04/84/51/525048451.db2.gz UWTJPUUVSAXGBY-DGCLKSJQSA-N 1 2 369.824 1.279 20 70 FDIDLO CC[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@H]1CCCO1 ZINC000161428713 525106659 /nfs/dbraw/zinc/10/66/59/525106659.db2.gz CHLKCKQVLIPXFO-JKSUJKDBSA-N 1 2 368.499 1.709 20 70 FDIDLO CC[C@H](NC(=O)c1ccccc1S(=O)(=O)CC[NH+](C)C)[C@@H]1CCCO1 ZINC000161428541 525107467 /nfs/dbraw/zinc/10/74/67/525107467.db2.gz CHLKCKQVLIPXFO-HOTGVXAUSA-N 1 2 368.499 1.709 20 70 FDIDLO