smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@@H+](CC)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1C[C@@H](OC)[C@@H](OC)C1 ZINC001500787001 1069310222 /nfs/dbraw/zinc/31/02/22/1069310222.db2.gz HKXQTKNHCQJFBE-BGYRXZFFSA-N 1 1 469.590 1.774 20 0 JDADMO CCC[N@@H+](CC)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001500784032 1069310554 /nfs/dbraw/zinc/31/05/54/1069310554.db2.gz IZTSLQYECDPRMT-KNQAVFIVSA-N 1 1 469.638 1.456 20 0 JDADMO CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001500784079 1069311247 /nfs/dbraw/zinc/31/12/47/1069311247.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 1 1 454.627 1.856 20 0 JDADMO CCC[N@@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 ZINC001500784079 1069311260 /nfs/dbraw/zinc/31/12/60/1069311260.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 1 1 454.627 1.856 20 0 JDADMO CCC[N@@H+](CC)CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001500787969 1069311476 /nfs/dbraw/zinc/31/14/76/1069311476.db2.gz SOMQOUAGHHRMBJ-QGZVFWFLSA-N 1 1 476.651 1.637 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 ZINC001500788213 1069311916 /nfs/dbraw/zinc/31/19/16/1069311916.db2.gz ZDEJUPDPSYGCKD-MOPGFXCFSA-N 1 1 455.611 1.856 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001500789638 1069312609 /nfs/dbraw/zinc/31/26/09/1069312609.db2.gz FLASENKUKAWAJW-RTBURBONSA-N 1 1 472.656 1.204 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 ZINC001500788215 1069312494 /nfs/dbraw/zinc/31/24/94/1069312494.db2.gz ZDEJUPDPSYGCKD-RBUKOAKNSA-N 1 1 455.611 1.856 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)N(CC)CC)CC1 ZINC001500789432 1069312536 /nfs/dbraw/zinc/31/25/36/1069312536.db2.gz ACUWFQLHJNUXAJ-IBGZPJMESA-N 1 1 483.683 1.496 20 0 JDADMO CCC[N@@H+](CC)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001500789518 1069313164 /nfs/dbraw/zinc/31/31/64/1069313164.db2.gz BPRHZFXIZVTMOC-FQEVSTJZSA-N 1 1 469.638 1.886 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001500789650 1069313192 /nfs/dbraw/zinc/31/31/92/1069313192.db2.gz FRBAQKQQPKYWSB-DLBZAZTESA-N 1 1 456.613 1.189 20 0 JDADMO CCC[N@@H+](CC)CCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001500791440 1069315115 /nfs/dbraw/zinc/31/51/15/1069315115.db2.gz CWOAROHMASSYAR-OAQYLSRUSA-N 1 1 468.606 1.762 20 0 JDADMO CCC[N@@H+](CC)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 ZINC001500789985 1069315148 /nfs/dbraw/zinc/31/51/48/1069315148.db2.gz MZEKMWSXMDLXIN-SFHVURJKSA-N 1 1 455.625 1.298 20 0 JDADMO CCC[N@@H+](CC)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 ZINC001500795164 1069315658 /nfs/dbraw/zinc/31/56/58/1069315658.db2.gz XPAPTUILGBNJSH-UHFFFAOYSA-N 1 1 455.611 1.557 20 0 JDADMO CCC[N@@H+](CC)CCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001500794627 1069315769 /nfs/dbraw/zinc/31/57/69/1069315769.db2.gz LBBFFKATJKRPSP-SELNLUPBSA-N 1 1 464.611 1.985 20 0 JDADMO CCC[N@@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001500791759 1069315800 /nfs/dbraw/zinc/31/58/00/1069315800.db2.gz NCNYVELDGDGVAA-LJQANCHMSA-N 1 1 454.579 1.469 20 0 JDADMO CCC[N@@H+](CC)CCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001500791843 1069316095 /nfs/dbraw/zinc/31/60/95/1069316095.db2.gz OWMPWFMBDLFDME-UHFFFAOYSA-N 1 1 482.633 1.267 20 0 JDADMO CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)[C@@H](C)C1 ZINC001474962873 1069320823 /nfs/dbraw/zinc/32/08/23/1069320823.db2.gz JQWPOADEJIQOJA-YOEHRIQHSA-N 1 1 451.586 1.613 20 0 JDADMO C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)N=[S@@](=O)(c3ccccc3)C(F)(F)F)CC2)C1 ZINC001474966246 1069321188 /nfs/dbraw/zinc/32/11/88/1069321188.db2.gz NQSAJKCLMIACEQ-WQIZZMQYSA-N 1 1 454.540 1.990 20 0 JDADMO C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)CC2)C1 ZINC001474967117 1069321314 /nfs/dbraw/zinc/32/13/14/1069321314.db2.gz GRBOTSBVVTYLNR-KRWDZBQOSA-N 1 1 456.678 1.853 20 0 JDADMO CC1CCC([NH+]2CCN(S(=O)(=O)c3cnn(C)c3I)CC2)CC1 ZINC001474972803 1069323637 /nfs/dbraw/zinc/32/36/37/1069323637.db2.gz YUEBEAAGQFZSNB-UHFFFAOYSA-N 1 1 452.362 1.910 20 0 JDADMO CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001500895354 1069324405 /nfs/dbraw/zinc/32/44/05/1069324405.db2.gz IIMYAXILNXILQZ-WOJBJXKFSA-N 1 1 462.620 1.732 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)C1 ZINC001500917153 1069326628 /nfs/dbraw/zinc/32/66/28/1069326628.db2.gz CNSWRDXAXMVYGO-SFHVURJKSA-N 1 1 481.667 1.106 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3nc(C)cc(OCC)n3)CC2)C1 ZINC001500918634 1069328258 /nfs/dbraw/zinc/32/82/58/1069328258.db2.gz VCQIJMIPFKURMU-HXUWFJFHSA-N 1 1 499.664 1.972 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](NC(=O)OCC)C2)C1 ZINC001500920778 1069329964 /nfs/dbraw/zinc/32/99/64/1069329964.db2.gz CXFMBOGDDYYZTD-OKZBNKHCSA-N 1 1 485.655 1.335 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)C1 ZINC001500921761 1069330739 /nfs/dbraw/zinc/33/07/39/1069330739.db2.gz LIJDPFSTQQICMA-SHUHUVMISA-N 1 1 484.667 1.393 20 0 JDADMO O=C(OCc1ccccc1)N1CC(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001475000838 1069331063 /nfs/dbraw/zinc/33/10/63/1069331063.db2.gz PNEKQAVENLFAIQ-QHCPKHFHSA-N 1 1 459.568 1.564 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](c3cnn(CC)c3)C2)C1 ZINC001500921814 1069330866 /nfs/dbraw/zinc/33/08/66/1069330866.db2.gz LOZTTYISHPUTBE-BJLQDIEVSA-N 1 1 494.666 1.415 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(c3ccc(F)cn3)CC2)C1 ZINC001500923606 1069331931 /nfs/dbraw/zinc/33/19/31/1069331931.db2.gz XLAYZPXLIPFRFG-QZTJIDSGSA-N 1 1 494.641 1.481 20 0 JDADMO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001500927880 1069331958 /nfs/dbraw/zinc/33/19/58/1069331958.db2.gz GVQOMTOQTUBWHT-IEBWSBKVSA-N 1 1 495.671 1.704 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001500927880 1069331974 /nfs/dbraw/zinc/33/19/74/1069331974.db2.gz GVQOMTOQTUBWHT-IEBWSBKVSA-N 1 1 495.671 1.704 20 0 JDADMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[N@H+](CCO)CC3)cc2)C1 ZINC001475006529 1069332770 /nfs/dbraw/zinc/33/27/70/1069332770.db2.gz ZTAVNLSYLUIRBG-QZTJIDSGSA-N 1 1 459.634 1.042 20 0 JDADMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCC[N@@H+](CCO)CC3)cc2)C1 ZINC001475006529 1069332792 /nfs/dbraw/zinc/33/27/92/1069332792.db2.gz ZTAVNLSYLUIRBG-QZTJIDSGSA-N 1 1 459.634 1.042 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c(-c3csc(N4CCOCC4)n3)nnc2N(C)[C@@H](C)CC(N)=O)C1 ZINC001500936023 1069332845 /nfs/dbraw/zinc/33/28/45/1069332845.db2.gz IPAHQXIAORFQBV-IRXDYDNUSA-N 1 1 476.651 1.670 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001500938278 1069333328 /nfs/dbraw/zinc/33/33/28/1069333328.db2.gz CKVHGERGKNBMCQ-IEBWSBKVSA-N 1 1 481.667 1.259 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(NS(=O)(=O)CCC)CC2)C1 ZINC001500938279 1069333572 /nfs/dbraw/zinc/33/35/72/1069333572.db2.gz CKVHGERGKNBMCQ-MJGOQNOKSA-N 1 1 481.667 1.259 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(NC(C)=O)CC2)C1 ZINC001500939165 1069334539 /nfs/dbraw/zinc/33/45/39/1069334539.db2.gz KBNDKIQQGOMORW-IKJYFWGWSA-N 1 1 480.679 1.796 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC001500940567 1069334795 /nfs/dbraw/zinc/33/47/95/1069334795.db2.gz VZXUSBKVMNCVRN-PMACEKPBSA-N 1 1 475.638 1.077 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(C)(C)C)CC2)C1 ZINC001500942876 1069335045 /nfs/dbraw/zinc/33/50/45/1069335045.db2.gz BEVVKUGRRDWNNB-MOPGFXCFSA-N 1 1 452.669 1.833 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001500938799 1069334424 /nfs/dbraw/zinc/33/44/24/1069334424.db2.gz HNFBFBZHEAVZTK-HSALFYBXSA-N 1 1 468.668 1.670 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](CC(N)=O)C2)C1 ZINC001500943192 1069335994 /nfs/dbraw/zinc/33/59/94/1069335994.db2.gz ITKKZIGDNBOLBK-SQNIBIBYSA-N 1 1 452.625 1.004 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCCOC)CC2)C1 ZINC001500943592 1069336970 /nfs/dbraw/zinc/33/69/70/1069336970.db2.gz QEFKHMZDEAKRDG-RBUKOAKNSA-N 1 1 469.652 1.544 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC001500944062 1069337469 /nfs/dbraw/zinc/33/74/69/1069337469.db2.gz YMVHWFLNPLZXPW-OAQYLSRUSA-N 1 1 475.682 1.579 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)C1 ZINC001500949518 1069337667 /nfs/dbraw/zinc/33/76/67/1069337667.db2.gz AONOVGCKXFPPIL-OAQYLSRUSA-N 1 1 482.633 1.169 20 0 JDADMO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1S(=O)(=O)N1CCOCC1 ZINC001475023728 1069337866 /nfs/dbraw/zinc/33/78/66/1069337866.db2.gz TXZKQSVJIJIWNN-GOSISDBHSA-N 1 1 459.634 1.511 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)C1 ZINC001500951471 1069338269 /nfs/dbraw/zinc/33/82/69/1069338269.db2.gz RNVJBEPOVKNRMW-ZHALLVOQSA-N 1 1 462.620 1.726 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001500952318 1069338533 /nfs/dbraw/zinc/33/85/33/1069338533.db2.gz ZUNCHMICVQECFX-HXUWFJFHSA-N 1 1 459.664 1.873 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(Cc3ccncc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)C1 ZINC001500949771 1069338647 /nfs/dbraw/zinc/33/86/47/1069338647.db2.gz GZEJVHAXCVBLMK-JOCHJYFZSA-N 1 1 468.650 1.642 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)NCC)CC2)C1 ZINC001500955575 1069339318 /nfs/dbraw/zinc/33/93/18/1069339318.db2.gz UFEFYBMPQGIUPH-FQEVSTJZSA-N 1 1 457.627 1.723 20 0 JDADMO CCC[N@H+]1CC[C@H](Cn2c(N(CC)[C@H]3CCS(=O)(=O)C3)nnc2[C@@]2(OCC)CCOC2)C1 ZINC001500958790 1069339953 /nfs/dbraw/zinc/33/99/53/1069339953.db2.gz VKLSOEJFFNIILV-CNNODRBYSA-N 1 1 469.652 1.676 20 0 JDADMO CCC[N@H+]1CC[C@@H](Cn2c(COCC)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)C1 ZINC001500957469 1069340303 /nfs/dbraw/zinc/34/03/03/1069340303.db2.gz JVOCQWRTHWCGKW-LJQANCHMSA-N 1 1 455.607 1.972 20 0 JDADMO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001500984827 1069344475 /nfs/dbraw/zinc/34/44/75/1069344475.db2.gz FSQDPZAANDHTBN-KZNAEPCWSA-N 1 1 456.657 1.939 20 0 JDADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001500984827 1069344483 /nfs/dbraw/zinc/34/44/83/1069344483.db2.gz FSQDPZAANDHTBN-KZNAEPCWSA-N 1 1 456.657 1.939 20 0 JDADMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 ZINC001500985463 1069345668 /nfs/dbraw/zinc/34/56/68/1069345668.db2.gz OSQGLRNQYHRUDN-FQEVSTJZSA-N 1 1 497.710 1.931 20 0 JDADMO 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CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC001500989177 1069348122 /nfs/dbraw/zinc/34/81/22/1069348122.db2.gz YAEXLFCFMYNJGI-YRPNKDGESA-N 1 1 484.667 1.537 20 0 JDADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 ZINC001500994067 1069348927 /nfs/dbraw/zinc/34/89/27/1069348927.db2.gz KSLYRGQMFRSXND-HKBOAZHASA-N 1 1 498.694 1.881 20 0 JDADMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001500993876 1069349011 /nfs/dbraw/zinc/34/90/11/1069349011.db2.gz JOCBLAIUVSZUPO-JOCHJYFZSA-N 1 1 485.681 1.934 20 0 JDADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 ZINC001500994976 1069349350 /nfs/dbraw/zinc/34/93/50/1069349350.db2.gz SFYUQRGGUIUTJI-NJYVYQBISA-N 1 1 498.694 1.881 20 0 JDADMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 ZINC001500998898 1069350621 /nfs/dbraw/zinc/35/06/21/1069350621.db2.gz UXKYPCGMNXIKIY-AKHDSKFASA-N 1 1 472.631 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454.579 1.714 20 0 JDADMO CN1CC[NH+](C2CCN(S(=O)(=O)c3ccc(CCNC(=O)C(C)(C)C)s3)CC2)CC1 ZINC001475596557 1069501683 /nfs/dbraw/zinc/50/16/83/1069501683.db2.gz FIMWGYZKMQDDFN-UHFFFAOYSA-N 1 1 456.678 1.853 20 0 JDADMO CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC001475597820 1069502553 /nfs/dbraw/zinc/50/25/53/1069502553.db2.gz XMDZLTDZZREYCI-UHFFFAOYSA-N 1 1 458.650 1.021 20 0 JDADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001501392905 1069505018 /nfs/dbraw/zinc/50/50/18/1069505018.db2.gz CCXVZTPAAMJDBH-KRWDZBQOSA-N 1 1 463.380 1.707 20 0 JDADMO CCN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001501392905 1069505036 /nfs/dbraw/zinc/50/50/36/1069505036.db2.gz CCXVZTPAAMJDBH-KRWDZBQOSA-N 1 1 463.380 1.707 20 0 JDADMO CCN(C)C(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001501397106 1069506292 /nfs/dbraw/zinc/50/62/92/1069506292.db2.gz AMMXYJIIMCJGRL-DEOSSOPVSA-N 1 1 472.590 1.742 20 0 JDADMO 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1070081051 /nfs/dbraw/zinc/08/10/51/1070081051.db2.gz AABIUFPUCBNADE-CEXWTWQISA-N 1 1 490.653 1.359 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502312236 1070081951 /nfs/dbraw/zinc/08/19/51/1070081951.db2.gz IUVAXTDYGQMVIN-SFHVURJKSA-N 1 1 478.667 1.207 20 0 JDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077455 1070084686 /nfs/dbraw/zinc/08/46/86/1070084686.db2.gz XUGOSTXASOZXJE-MSOLQXFVSA-N 1 1 451.612 1.970 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312555 1070084211 /nfs/dbraw/zinc/08/42/11/1070084211.db2.gz OIIQOZVWENIUGJ-IRXDYDNUSA-N 1 1 495.554 1.266 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502312931 1070085626 /nfs/dbraw/zinc/08/56/26/1070085626.db2.gz VGRUCRNYLYRSGE-QKNQBKEWSA-N 1 1 486.617 1.340 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312938 1070085771 /nfs/dbraw/zinc/08/57/71/1070085771.db2.gz VJFFGTUPOXPEJR-HOTGVXAUSA-N 1 1 464.018 1.279 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502313555 1070089095 /nfs/dbraw/zinc/08/90/95/1070089095.db2.gz GMGVDWBMQVAOCG-IBGZPJMESA-N 1 1 473.597 1.922 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502313067 1070086871 /nfs/dbraw/zinc/08/68/71/1070086871.db2.gz XLZGLUJMDXZCHV-VSKRKVRLSA-N 1 1 498.676 1.734 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502313365 1070087627 /nfs/dbraw/zinc/08/76/27/1070087627.db2.gz CTPWXHAUWJZPTN-BHIFYINESA-N 1 1 495.738 1.374 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001502313717 1070090200 /nfs/dbraw/zinc/09/02/00/1070090200.db2.gz JNSZDMYRJDIZNF-RTWAWAEBSA-N 1 1 475.682 1.720 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502314121 1070090982 /nfs/dbraw/zinc/09/09/82/1070090982.db2.gz PZKAXHVYABBBRP-MOPGFXCFSA-N 1 1 457.598 1.701 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502314018 1070091530 /nfs/dbraw/zinc/09/15/30/1070091530.db2.gz OEZDFQZDZYYDMH-HXUWFJFHSA-N 1 1 485.633 1.792 20 0 JDADMO Cc1cccc(CN2CCO[C@H](CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134360 1070091930 /nfs/dbraw/zinc/09/19/30/1070091930.db2.gz VQXOYSQMXCXNGM-DNQXCXABSA-N 1 1 459.635 1.292 20 0 JDADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)cn1C ZINC001479144188 1070093343 /nfs/dbraw/zinc/09/33/43/1070093343.db2.gz TTXBCWAZEBKONN-IBGZPJMESA-N 1 1 452.625 1.542 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314646 1070094148 /nfs/dbraw/zinc/09/41/48/1070094148.db2.gz YJSKFOSXVQWEHB-LJQANCHMSA-N 1 1 469.700 1.411 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502314861 1070095997 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/nfs/dbraw/zinc/19/01/68/1070190168.db2.gz NKCYHOIKDBKUEK-IBGZPJMESA-N 1 1 479.607 1.114 20 0 JDADMO Cc1noc(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001493038341 1070191888 /nfs/dbraw/zinc/19/18/88/1070191888.db2.gz MZDJUDSFPDFFEB-QFIPXVFZSA-N 1 1 474.587 1.656 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4F)n3CC(=O)NCC(F)(F)F)C2)CC1 ZINC001502334975 1070191713 /nfs/dbraw/zinc/19/17/13/1070191713.db2.gz XINKILANCZHQLO-INIZCTEOSA-N 1 1 483.514 1.979 20 0 JDADMO CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001502334904 1070192488 /nfs/dbraw/zinc/19/24/88/1070192488.db2.gz VCEHIPGNKGQWSY-SFHVURJKSA-N 1 1 461.014 1.688 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CC(F)(F)Br)C2)CC1 ZINC001502335046 1070193171 /nfs/dbraw/zinc/19/31/71/1070193171.db2.gz YUJYYIQLXIJHGF-HNNXBMFYSA-N 1 1 473.370 1.883 20 0 JDADMO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001502335370 1070194249 /nfs/dbraw/zinc/19/42/49/1070194249.db2.gz HLAGPDJJXOJDLA-OAQYLSRUSA-N 1 1 469.634 1.594 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCc3ccco3)C2)CC1 ZINC001502335277 1070194357 /nfs/dbraw/zinc/19/43/57/1070194357.db2.gz FERSCKVDACZAPW-IBGZPJMESA-N 1 1 457.623 1.992 20 0 JDADMO CCN(C)C(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001502335369 1070194467 /nfs/dbraw/zinc/19/44/67/1070194467.db2.gz HLAGPDJJXOJDLA-NRFANRHFSA-N 1 1 469.634 1.594 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001502336069 1070199134 /nfs/dbraw/zinc/19/91/34/1070199134.db2.gz VAWQRNDQKQUJSQ-PMACEKPBSA-N 1 1 461.655 1.678 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001502336071 1070199837 /nfs/dbraw/zinc/19/98/37/1070199837.db2.gz VAWQRNDQKQUJSQ-VQTJNVASSA-N 1 1 461.655 1.678 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCc3c2cnn3C)CC1 ZINC001502337423 1070203494 /nfs/dbraw/zinc/20/34/94/1070203494.db2.gz HUVLLCLVUYCHGI-FPOVZHCZSA-N 1 1 485.681 1.937 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502337416 1070203649 /nfs/dbraw/zinc/20/36/49/1070203649.db2.gz HSORLRPBXLMVNP-AQNXPRMDSA-N 1 1 470.622 1.813 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC001502337206 1070202092 /nfs/dbraw/zinc/20/20/92/1070202092.db2.gz DDOLFCXEUVIPFU-HULNYRCFSA-N 1 1 491.681 1.463 20 0 JDADMO Cc1noc([C@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493080562 1070202238 /nfs/dbraw/zinc/20/22/38/1070202238.db2.gz ZPRZOPZKTDWJHM-DLBZAZTESA-N 1 1 451.597 1.596 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)CC1 ZINC001502337207 1070202883 /nfs/dbraw/zinc/20/28/83/1070202883.db2.gz DDOLFCXEUVIPFU-UKDJSQQHSA-N 1 1 491.681 1.463 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502337417 1070204183 /nfs/dbraw/zinc/20/41/83/1070204183.db2.gz HSORLRPBXLMVNP-SLFFLAALSA-N 1 1 470.622 1.813 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(=O)N(C)C)C2)CC1 ZINC001502337398 1070204608 /nfs/dbraw/zinc/20/46/08/1070204608.db2.gz HOFOIRUZLWOLIB-FQEVSTJZSA-N 1 1 455.607 1.470 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001502337482 1070205285 /nfs/dbraw/zinc/20/52/85/1070205285.db2.gz IXJHQHMECZDYFF-CNNODRBYSA-N 1 1 485.699 1.167 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502337616 1070206948 /nfs/dbraw/zinc/20/69/48/1070206948.db2.gz LIEQLAVNEMGHMA-AQNXPRMDSA-N 1 1 486.621 1.049 20 0 JDADMO Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001493101607 1070207256 /nfs/dbraw/zinc/20/72/56/1070207256.db2.gz JTRWRIBUSLCWLA-SFHVURJKSA-N 1 1 460.583 1.289 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001502337630 1070207399 /nfs/dbraw/zinc/20/73/99/1070207399.db2.gz LNMJZJLYYQASJR-BZSNNMDCSA-N 1 1 473.713 1.104 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)CC1 ZINC001502337631 1070207934 /nfs/dbraw/zinc/20/79/34/1070207934.db2.gz LNMJZJLYYQASJR-KSZLIROESA-N 1 1 473.713 1.104 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3C[C@@H](OC)C(C)C)C2)CC1 ZINC001502337718 1070209383 /nfs/dbraw/zinc/20/93/83/1070209383.db2.gz MUMWJILGNDKNOI-KJJMTIBFSA-N 1 1 464.655 1.889 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)CC1 ZINC001502337834 1070210966 /nfs/dbraw/zinc/21/09/66/1070210966.db2.gz OXNFSQYRIBLTDX-OALUTQOASA-N 1 1 467.684 1.542 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502337840 1070211626 /nfs/dbraw/zinc/21/16/26/1070211626.db2.gz OYLXFLGRGVJRLB-HXUWFJFHSA-N 1 1 499.660 1.904 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502338178 1070211782 /nfs/dbraw/zinc/21/17/82/1070211782.db2.gz SEMXNEOCIOXVCE-LJQANCHMSA-N 1 1 490.674 1.805 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502337938 1070211959 /nfs/dbraw/zinc/21/19/59/1070211959.db2.gz PRBKHJKSXNBWMU-LJQANCHMSA-N 1 1 471.654 1.466 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)CC1 ZINC001502338615 1070215183 /nfs/dbraw/zinc/21/51/83/1070215183.db2.gz XTKNZBGYOAUCHX-ZCNNSNEGSA-N 1 1 493.678 1.749 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)CC1 ZINC001502338611 1070215591 /nfs/dbraw/zinc/21/55/91/1070215591.db2.gz XTKNZBGYOAUCHX-UFYCRDLUSA-N 1 1 493.678 1.749 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502339650 1070217818 /nfs/dbraw/zinc/21/78/18/1070217818.db2.gz BIBVOVODXLCCGK-IFMALSPDSA-N 1 1 468.650 1.918 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502339629 1070218208 /nfs/dbraw/zinc/21/82/08/1070218208.db2.gz AZTOLSKDUULCKB-WOJBJXKFSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502340243 1070219236 /nfs/dbraw/zinc/21/92/36/1070219236.db2.gz FKRAKUUILXHFCR-UXHICEINSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502340614 1070221176 /nfs/dbraw/zinc/22/11/76/1070221176.db2.gz HXXJUTFMTZYLPW-SFHVURJKSA-N 1 1 493.678 1.638 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CCOC)[C@H](C)C2)CC1 ZINC001502341379 1070226189 /nfs/dbraw/zinc/22/61/89/1070226189.db2.gz VAYFSDZBQOXJRW-FCHUYYIVSA-N 1 1 472.682 1.714 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502341505 1070226368 /nfs/dbraw/zinc/22/63/68/1070226368.db2.gz XJKHKXSYTDSLQV-NRFANRHFSA-N 1 1 468.650 1.918 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493168085 1070226846 /nfs/dbraw/zinc/22/68/46/1070226846.db2.gz ALAFABBBGGSVNW-MRXNPFEDSA-N 1 1 461.014 1.686 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493168085 1070226880 /nfs/dbraw/zinc/22/68/80/1070226880.db2.gz ALAFABBBGGSVNW-MRXNPFEDSA-N 1 1 461.014 1.686 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493168085 1070226909 /nfs/dbraw/zinc/22/69/09/1070226909.db2.gz ALAFABBBGGSVNW-MRXNPFEDSA-N 1 1 461.014 1.686 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502341210 1070224393 /nfs/dbraw/zinc/22/43/93/1070224393.db2.gz QJUYENHVPPDVQP-NQIIRXRSSA-N 1 1 490.052 1.823 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502341520 1070229205 /nfs/dbraw/zinc/22/92/05/1070229205.db2.gz XQOCTALWDNTBBA-HXUWFJFHSA-N 1 1 468.650 1.966 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502341617 1070230095 /nfs/dbraw/zinc/23/00/95/1070230095.db2.gz ZCZZUBLIFFQBSS-PMACEKPBSA-N 1 1 469.634 1.894 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502341619 1070230399 /nfs/dbraw/zinc/23/03/99/1070230399.db2.gz ZCZZUBLIFFQBSS-VQTJNVASSA-N 1 1 469.634 1.894 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCOC)CC1 ZINC001502342590 1070230695 /nfs/dbraw/zinc/23/06/95/1070230695.db2.gz AFGXSUCHCFGWMC-SFHVURJKSA-N 1 1 468.606 1.950 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001493170923 1070234310 /nfs/dbraw/zinc/23/43/10/1070234310.db2.gz UDRLXERYQQFRQQ-HNNXBMFYSA-N 1 1 494.438 1.824 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001493170923 1070234353 /nfs/dbraw/zinc/23/43/53/1070234353.db2.gz UDRLXERYQQFRQQ-HNNXBMFYSA-N 1 1 494.438 1.824 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001493170934 1070234694 /nfs/dbraw/zinc/23/46/94/1070234694.db2.gz UDRLXERYQQFRQQ-OAHLLOKOSA-N 1 1 494.438 1.824 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cc(Br)cn2C)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001493170934 1070234743 /nfs/dbraw/zinc/23/47/43/1070234743.db2.gz UDRLXERYQQFRQQ-OAHLLOKOSA-N 1 1 494.438 1.824 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502343403 1070237918 /nfs/dbraw/zinc/23/79/18/1070237918.db2.gz OLMMKWPHMOZUQT-PZJWPPBQSA-N 1 1 463.671 1.482 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502343428 1070238162 /nfs/dbraw/zinc/23/81/62/1070238162.db2.gz OSTYJJSFMYJYQJ-KNQAVFIVSA-N 1 1 453.635 1.763 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343424 1070238794 /nfs/dbraw/zinc/23/87/94/1070238794.db2.gz OQXCWQIKRMYOGL-UNMCSNQZSA-N 1 1 461.655 1.852 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502343840 1070246046 /nfs/dbraw/zinc/24/60/46/1070246046.db2.gz VOJNOCHDYBGBST-RXFWQSSRSA-N 1 1 483.661 1.853 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343824 1070246492 /nfs/dbraw/zinc/24/64/92/1070246492.db2.gz VFXLSQBBSBAKTH-OALUTQOASA-N 1 1 456.639 1.740 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343814 1070244193 /nfs/dbraw/zinc/24/41/93/1070244193.db2.gz VAICCXHVGDNRAH-FGZHOGPDSA-N 1 1 463.671 1.214 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502343823 1070245541 /nfs/dbraw/zinc/24/55/41/1070245541.db2.gz VFXLSQBBSBAKTH-MOPGFXCFSA-N 1 1 456.639 1.740 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493190560 1070249748 /nfs/dbraw/zinc/24/97/48/1070249748.db2.gz CAOHPDGCOZFHQK-RTBURBONSA-N 1 1 474.581 1.900 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502345565 1070250629 /nfs/dbraw/zinc/25/06/29/1070250629.db2.gz CIQYMQHHOTVIPS-UXHICEINSA-N 1 1 487.624 1.937 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493199318 1070253851 /nfs/dbraw/zinc/25/38/51/1070253851.db2.gz AJJSLNPBGJVLIV-XWTMOSNGSA-N 1 1 483.683 1.312 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502345959 1070252994 /nfs/dbraw/zinc/25/29/94/1070252994.db2.gz HVQCKJGMWLZINB-SQOUVECCSA-N 1 1 491.681 1.333 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502345927 1070253435 /nfs/dbraw/zinc/25/34/35/1070253435.db2.gz HRRKOMGCFMWNAR-HXUWFJFHSA-N 1 1 461.655 1.793 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001502346011 1070254377 /nfs/dbraw/zinc/25/43/77/1070254377.db2.gz IETXPWVIXPECTD-IBGZPJMESA-N 1 1 457.627 1.044 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001493201067 1070255092 /nfs/dbraw/zinc/25/50/92/1070255092.db2.gz GKZLRRXDRMPEQG-NHCUHLMSSA-N 1 1 483.665 1.702 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001502346194 1070255202 /nfs/dbraw/zinc/25/52/02/1070255202.db2.gz JQQKMWJAORJCCV-HYBUGGRVSA-N 1 1 461.655 1.679 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001493201071 1070255663 /nfs/dbraw/zinc/25/56/63/1070255663.db2.gz GKZLRRXDRMPEQG-SFTDATJTSA-N 1 1 483.665 1.702 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346837 1070257758 /nfs/dbraw/zinc/25/77/58/1070257758.db2.gz PCDUXRDNEAABKS-OFNKIYASSA-N 1 1 482.695 1.161 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346838 1070258890 /nfs/dbraw/zinc/25/88/90/1070258890.db2.gz PCDUXRDNEAABKS-REWPJTCUSA-N 1 1 482.695 1.161 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001502346894 1070259549 /nfs/dbraw/zinc/25/95/49/1070259549.db2.gz PRYYTNDNCCVJSX-HXUWFJFHSA-N 1 1 462.687 1.059 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502346963 1070259926 /nfs/dbraw/zinc/25/99/26/1070259926.db2.gz QYIFQWOGVKPNFX-LJQANCHMSA-N 1 1 454.623 1.239 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212080 1070260010 /nfs/dbraw/zinc/26/00/10/1070260010.db2.gz FIJJCZOJLKJIOT-SCTDSRPQSA-N 1 1 480.679 1.638 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001502346915 1070260682 /nfs/dbraw/zinc/26/06/82/1070260682.db2.gz QAAOVGRCLWNGQC-XMMPIXPASA-N 1 1 461.655 1.937 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C(N)=O)CC2)C1 ZINC001493212082 1070261539 /nfs/dbraw/zinc/26/15/39/1070261539.db2.gz FIJJCZOJLKJIOT-ZIFCJYIRSA-N 1 1 480.679 1.638 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001502347196 1070263240 /nfs/dbraw/zinc/26/32/40/1070263240.db2.gz WDCQYSMRTBSNSZ-LEWJYISDSA-N 1 1 475.682 1.925 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001502347197 1070262508 /nfs/dbraw/zinc/26/25/08/1070262508.db2.gz WDCQYSMRTBSNSZ-NHCUHLMSSA-N 1 1 475.682 1.925 20 0 JDADMO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493221669 1070264184 /nfs/dbraw/zinc/26/41/84/1070264184.db2.gz ZUMVTJJWGGINMN-HCXYKTFWSA-N 1 1 456.657 1.727 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001502349283 1070265778 /nfs/dbraw/zinc/26/57/78/1070265778.db2.gz SFNTYOVIFMTFQL-UXHICEINSA-N 1 1 469.700 1.932 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502349087 1070265830 /nfs/dbraw/zinc/26/58/30/1070265830.db2.gz MYQGJOCCUFVKGK-UHFFFAOYSA-N 1 1 497.648 1.402 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001502349208 1070266158 /nfs/dbraw/zinc/26/61/58/1070266158.db2.gz PWJVZMYAYOKJPP-SQNIBIBYSA-N 1 1 459.636 1.100 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC001502349413 1070267147 /nfs/dbraw/zinc/26/71/47/1070267147.db2.gz XGKQTCYKLDUQOU-IBGZPJMESA-N 1 1 472.642 1.351 20 0 JDADMO C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001493249244 1070267247 /nfs/dbraw/zinc/26/72/47/1070267247.db2.gz WABNULOSHXWJOE-QRVBRYPASA-N 1 1 452.625 1.355 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502349327 1070267302 /nfs/dbraw/zinc/26/73/02/1070267302.db2.gz UCMJZDLVZQQIOH-HSZRJFAPSA-N 1 1 469.634 1.704 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC001502349414 1070267341 /nfs/dbraw/zinc/26/73/41/1070267341.db2.gz XGKQTCYKLDUQOU-LJQANCHMSA-N 1 1 472.642 1.351 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502349328 1070267528 /nfs/dbraw/zinc/26/75/28/1070267528.db2.gz UCMJZDLVZQQIOH-QHCPKHFHSA-N 1 1 469.634 1.704 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263094 1070267623 /nfs/dbraw/zinc/26/76/23/1070267623.db2.gz OVHHZOROOUUFHL-HBMCJLEFSA-N 1 1 461.655 1.695 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502352406 1070273198 /nfs/dbraw/zinc/27/31/98/1070273198.db2.gz BEJDUDAIEXTIAP-OAQYLSRUSA-N 1 1 461.655 1.900 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502351035 1070269877 /nfs/dbraw/zinc/26/98/77/1070269877.db2.gz JZKJJRODCHLHHE-FGZHOGPDSA-N 1 1 461.655 1.552 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493266294 1070270921 /nfs/dbraw/zinc/27/09/21/1070270921.db2.gz OINCHMSNVZFFMZ-WCIQWLHISA-N 1 1 480.679 1.605 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502351206 1070270940 /nfs/dbraw/zinc/27/09/40/1070270940.db2.gz OHHAGRVWSJPMDF-UHFFFAOYSA-N 1 1 454.623 1.863 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493266295 1070271362 /nfs/dbraw/zinc/27/13/62/1070271362.db2.gz OINCHMSNVZFFMZ-YRPNKDGESA-N 1 1 480.679 1.605 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001502352560 1070273328 /nfs/dbraw/zinc/27/33/28/1070273328.db2.gz GSIAGFAMNYSTBQ-HXUWFJFHSA-N 1 1 470.622 1.958 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502351409 1070272223 /nfs/dbraw/zinc/27/22/23/1070272223.db2.gz VGRWBFYOQIZTPZ-NHCUHLMSSA-N 1 1 459.639 1.941 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)C1 ZINC001493267219 1070272233 /nfs/dbraw/zinc/27/22/33/1070272233.db2.gz VDFFQQDHUVVEAA-ZCNNSNEGSA-N 1 1 473.666 1.772 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267460 1070272416 /nfs/dbraw/zinc/27/24/16/1070272416.db2.gz WHCXEPOKISFBRH-WSTZPKSXSA-N 1 1 474.654 1.825 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268203 1070273548 /nfs/dbraw/zinc/27/35/48/1070273548.db2.gz YMOALIPRRFKQGI-KSZLIROESA-N 1 1 466.656 1.626 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](O)CC3(CCCC3)C2)CC1 ZINC001502352469 1070273743 /nfs/dbraw/zinc/27/37/43/1070273743.db2.gz CZTVJHKEBJUKPQ-FQEVSTJZSA-N 1 1 461.655 1.575 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268180 1070273727 /nfs/dbraw/zinc/27/37/27/1070273727.db2.gz YLWQYMMPWVLMGA-WMZOXILCSA-N 1 1 498.694 1.641 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001493268813 1070274116 /nfs/dbraw/zinc/27/41/16/1070274116.db2.gz ZQJMJEFWHGAUJM-HDICACEKSA-N 1 1 475.619 1.528 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268173 1070274329 /nfs/dbraw/zinc/27/43/29/1070274329.db2.gz YLWQYMMPWVLMGA-MRXSCTINSA-N 1 1 498.694 1.641 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502353001 1070277716 /nfs/dbraw/zinc/27/77/16/1070277716.db2.gz VEIMHYSPFXAHKA-NJDAHSKKSA-N 1 1 450.628 1.787 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274570 1070274643 /nfs/dbraw/zinc/27/46/43/1070274643.db2.gz DAAITFBTFBFVSI-NSHGMRRFSA-N 1 1 463.652 1.918 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001493275531 1070274956 /nfs/dbraw/zinc/27/49/56/1070274956.db2.gz MGUUAQSHQXYXJE-SVFBPWRDSA-N 1 1 482.695 1.916 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(N3CCN(C(=O)Cn4cnnn4)CC3)nnc2C(C)(C)C)C1 ZINC001493283917 1070277804 /nfs/dbraw/zinc/27/78/04/1070277804.db2.gz VWAXOEAULUBXPB-KDURUIRLSA-N 1 1 472.642 1.279 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493275820 1070276263 /nfs/dbraw/zinc/27/62/63/1070276263.db2.gz QOFZNMOSOQQSNJ-OYRHEFFESA-N 1 1 485.681 1.693 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493276814 1070276583 /nfs/dbraw/zinc/27/65/83/1070276583.db2.gz XGWAAFHNIIKXCK-KDURUIRLSA-N 1 1 461.636 1.790 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC(C(=O)NC)CC2)CC1 ZINC001502353180 1070280783 /nfs/dbraw/zinc/28/07/83/1070280783.db2.gz ZHMAEZKRHDKRBJ-UHFFFAOYSA-N 1 1 468.650 1.644 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001502354439 1070282361 /nfs/dbraw/zinc/28/23/61/1070282361.db2.gz IZZDYKBRBQQPJE-OKZBNKHCSA-N 1 1 453.657 1.008 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCOCC2)CC1 ZINC001502355512 1070287203 /nfs/dbraw/zinc/28/72/03/1070287203.db2.gz YZMOWHYZMHNVBT-UHFFFAOYSA-N 1 1 452.401 1.900 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001502354815 1070284716 /nfs/dbraw/zinc/28/47/16/1070284716.db2.gz OBZMDXNIFVYIMW-WOJBJXKFSA-N 1 1 499.726 1.700 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001502355879 1070288335 /nfs/dbraw/zinc/28/83/35/1070288335.db2.gz AZKSADQDMZMUIP-HXUWFJFHSA-N 1 1 469.638 1.504 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001502356165 1070289749 /nfs/dbraw/zinc/28/97/49/1070289749.db2.gz LATXXSUVFWIHQU-LJQANCHMSA-N 1 1 490.653 1.314 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001502356261 1070290146 /nfs/dbraw/zinc/29/01/46/1070290146.db2.gz LFQGNGADVRXINN-GOSISDBHSA-N 1 1 486.587 1.331 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502357134 1070291413 /nfs/dbraw/zinc/29/14/13/1070291413.db2.gz XEXQRDHMGMVRJE-UHFFFAOYSA-N 1 1 483.665 1.998 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502356693 1070291579 /nfs/dbraw/zinc/29/15/79/1070291579.db2.gz RLFLJVVJGYDQFE-KSZLIROESA-N 1 1 453.582 1.984 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001493326795 1070291660 /nfs/dbraw/zinc/29/16/60/1070291660.db2.gz JBQGEQCQNJDRBD-PLACYPQZSA-N 1 1 498.694 1.735 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502357199 1070291927 /nfs/dbraw/zinc/29/19/27/1070291927.db2.gz YRCIMEKXCHJXQV-UHFFFAOYSA-N 1 1 483.665 1.014 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502357940 1070293556 /nfs/dbraw/zinc/29/35/56/1070293556.db2.gz GRGKIGGIDAUILA-IFMALSPDSA-N 1 1 457.623 1.532 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502358401 1070294346 /nfs/dbraw/zinc/29/43/46/1070294346.db2.gz LKFJWIBMQFAVRY-UHFFFAOYSA-N 1 1 454.623 1.383 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502358652 1070295319 /nfs/dbraw/zinc/29/53/19/1070295319.db2.gz OSPPLABWADVRFE-FQEVSTJZSA-N 1 1 461.655 1.504 20 0 JDADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001493343105 1070295459 /nfs/dbraw/zinc/29/54/59/1070295459.db2.gz SIAASIMVCLGVBF-HOJAQTOUSA-N 1 1 453.591 1.807 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502358653 1070295959 /nfs/dbraw/zinc/29/59/59/1070295959.db2.gz OSPPLABWADVRFE-HXUWFJFHSA-N 1 1 461.655 1.504 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001493343106 1070295867 /nfs/dbraw/zinc/29/58/67/1070295867.db2.gz SIAASIMVCLGVBF-MISYRCLQSA-N 1 1 453.591 1.807 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001493342297 1070296267 /nfs/dbraw/zinc/29/62/67/1070296267.db2.gz PUIHKJJEFVUSPM-MISYRCLQSA-N 1 1 474.631 1.763 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001493342297 1070296303 /nfs/dbraw/zinc/29/63/03/1070296303.db2.gz PUIHKJJEFVUSPM-MISYRCLQSA-N 1 1 474.631 1.763 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502358639 1070296260 /nfs/dbraw/zinc/29/62/60/1070296260.db2.gz ONJYKXXIYNPCBP-LJQANCHMSA-N 1 1 457.598 1.703 20 0 JDADMO CC(C)[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001493401082 1070298464 /nfs/dbraw/zinc/29/84/64/1070298464.db2.gz DXNJLHXXXRZCNS-HCXYKTFWSA-N 1 1 456.657 1.870 20 0 JDADMO C[C@@H]1CC[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001493431514 1070300167 /nfs/dbraw/zinc/30/01/67/1070300167.db2.gz SDSJHQDQOCZNAZ-AABGKKOBSA-N 1 1 459.639 1.968 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC001502359260 1070300384 /nfs/dbraw/zinc/30/03/84/1070300384.db2.gz ZQRCVGXLGGAXDL-UHFFFAOYSA-N 1 1 497.692 1.715 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCN(C(=O)c4ccccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001502359835 1070300687 /nfs/dbraw/zinc/30/06/87/1070300687.db2.gz FRJBSBCNHLXBAU-UHFFFAOYSA-N 1 1 468.650 1.961 20 0 JDADMO C[C@@H]1CC[C@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493431516 1070300810 /nfs/dbraw/zinc/30/08/10/1070300810.db2.gz SDSJHQDQOCZNAZ-HSALFYBXSA-N 1 1 459.639 1.968 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC[C@](C)(C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502359962 1070301068 /nfs/dbraw/zinc/30/10/68/1070301068.db2.gz HEUDIHHNYVZNFM-DQEYMECFSA-N 1 1 491.681 1.309 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502360371 1070302531 /nfs/dbraw/zinc/30/25/31/1070302531.db2.gz LORRPRWEBDADEX-GBXCKJPGSA-N 1 1 477.654 1.013 20 0 JDADMO CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502360173 1070301687 /nfs/dbraw/zinc/30/16/87/1070301687.db2.gz JGUYLTDHYINSOZ-NRFANRHFSA-N 1 1 469.634 1.860 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCCN(CC)C(=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502359938 1070301751 /nfs/dbraw/zinc/30/17/51/1070301751.db2.gz GWJCIIKDJOCUMN-VWLOTQADSA-N 1 1 491.681 1.405 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502360221 1070301882 /nfs/dbraw/zinc/30/18/82/1070301882.db2.gz JZVYXXLATZIIBT-OFVILXPXSA-N 1 1 492.665 1.736 20 0 JDADMO CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001493437951 1070302741 /nfs/dbraw/zinc/30/27/41/1070302741.db2.gz PUWDDAKAZFYXJD-SEDAZVQISA-N 1 1 496.722 1.582 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502360883 1070303634 /nfs/dbraw/zinc/30/36/34/1070303634.db2.gz TUGZKZPYTHTXOU-NHCUHLMSSA-N 1 1 490.697 1.686 20 0 JDADMO CCn1nc(-c2nnc(N(C)CC(=O)NC(C)C)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001502362122 1070306918 /nfs/dbraw/zinc/30/69/18/1070306918.db2.gz ZUQRMOYBULAYSO-UHFFFAOYSA-N 1 1 468.606 1.976 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001493439887 1070304046 /nfs/dbraw/zinc/30/40/46/1070304046.db2.gz UQHFUVAXKMVRCB-BGYRXZFFSA-N 1 1 485.681 1.836 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502360993 1070304279 /nfs/dbraw/zinc/30/42/79/1070304279.db2.gz XFRTUIPZFUNZPB-XMMPIXPASA-N 1 1 471.654 1.130 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 ZINC001493489536 1070306996 /nfs/dbraw/zinc/30/69/96/1070306996.db2.gz ATOXHXOJACEOEI-UHFFFAOYSA-N 1 1 485.681 1.836 20 0 JDADMO CC1CCC([NH+]2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CCCC(=O)N(C)C)CC2)CC1 ZINC001493481072 1070306032 /nfs/dbraw/zinc/30/60/32/1070306032.db2.gz QLANWFKYSACLGV-IOJLRTSASA-N 1 1 480.679 1.749 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001493527406 1070312347 /nfs/dbraw/zinc/31/23/47/1070312347.db2.gz MLMRPJYNAPTWCQ-AKHDSKFASA-N 1 1 456.657 1.750 20 0 JDADMO CCn1nc(-c2nnc(N3CCN(C(C)=O)C[C@H]3C)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001502366627 1070313140 /nfs/dbraw/zinc/31/31/40/1070313140.db2.gz ORDZHZKNBZYYSY-GOSISDBHSA-N 1 1 496.616 1.310 20 0 JDADMO CCn1nc(-c2nnc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)c2ccccc2c1=O ZINC001502362651 1070307868 /nfs/dbraw/zinc/30/78/68/1070307868.db2.gz JSHLVGDSPZNMKV-HDICACEKSA-N 1 1 496.616 1.309 20 0 JDADMO CCn1nc(-c2nnc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)n2CC(=O)N(C)C)c2ccccc2c1=O ZINC001502362651 1070307888 /nfs/dbraw/zinc/30/78/88/1070307888.db2.gz JSHLVGDSPZNMKV-HDICACEKSA-N 1 1 496.616 1.309 20 0 JDADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001493547865 1070313342 /nfs/dbraw/zinc/31/33/42/1070313342.db2.gz WEYPPGYHANRQOL-IVAOSVALSA-N 1 1 498.694 1.594 20 0 JDADMO CCn1nc(-c2nnc(N(C)CCOC)n2C[C@@H](C)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC001502362956 1070308313 /nfs/dbraw/zinc/30/83/13/1070308313.db2.gz PUJTXAAGUXFWQO-SFHVURJKSA-N 1 1 469.590 1.726 20 0 JDADMO CCn1nc(-c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2CCC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001502366728 1070314328 /nfs/dbraw/zinc/31/43/28/1070314328.db2.gz RQZQNXPBRDUKJK-SFHVURJKSA-N 1 1 496.616 1.310 20 0 JDADMO C[C@@H]1CCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001493560269 1070316421 /nfs/dbraw/zinc/31/64/21/1070316421.db2.gz FRSJREQUZVLLIM-DNVFCKCGSA-N 1 1 498.694 1.473 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493667714 1070328295 /nfs/dbraw/zinc/32/82/95/1070328295.db2.gz OPZOZQKOOSBXPF-LEWJYISDSA-N 1 1 461.655 1.647 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](CCOCC)CC1 ZINC001502379758 1070324567 /nfs/dbraw/zinc/32/45/67/1070324567.db2.gz QYFNBMDBQUIWKB-UHFFFAOYSA-N 1 1 496.616 1.915 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001493653266 1070325551 /nfs/dbraw/zinc/32/55/51/1070325551.db2.gz VGCMFSSYXPMYCY-CEXWTWQISA-N 1 1 466.652 1.897 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCNS(C)(=O)=O)C1 ZINC001493651933 1070325714 /nfs/dbraw/zinc/32/57/14/1070325714.db2.gz WVYZXGDURURKGW-CEXWTWQISA-N 1 1 454.641 1.422 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493652532 1070325753 /nfs/dbraw/zinc/32/57/53/1070325753.db2.gz PZJRXZPKNWQLIV-OALUTQOASA-N 1 1 496.678 1.306 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001493653273 1070325833 /nfs/dbraw/zinc/32/58/33/1070325833.db2.gz VGCMFSSYXPMYCY-QRVBRYPASA-N 1 1 466.652 1.897 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493653532 1070327104 /nfs/dbraw/zinc/32/71/04/1070327104.db2.gz WKKVNSPKRCJVKI-LJQANCHMSA-N 1 1 475.638 1.639 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493666777 1070327485 /nfs/dbraw/zinc/32/74/85/1070327485.db2.gz JAYPBAAVQTVKRQ-SFHVURJKSA-N 1 1 461.611 1.136 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001493667706 1070327928 /nfs/dbraw/zinc/32/79/28/1070327928.db2.gz ONTVFOMGWGWYIS-HKBOAZHASA-N 1 1 498.694 1.738 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502384266 1070327946 /nfs/dbraw/zinc/32/79/46/1070327946.db2.gz LMTGRNHSWDUCGO-HBMCJLEFSA-N 1 1 475.682 1.939 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 ZINC001493666290 1070328023 /nfs/dbraw/zinc/32/80/23/1070328023.db2.gz HPUBSFWIVGVPEN-PKOBYXMFSA-N 1 1 454.641 1.864 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001493665668 1070328062 /nfs/dbraw/zinc/32/80/62/1070328062.db2.gz WGOIVTMUFCGKGI-LJQANCHMSA-N 1 1 461.611 1.074 20 0 JDADMO C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCC[C@H]1C)S(C)(=O)=O ZINC001493668386 1070328941 /nfs/dbraw/zinc/32/89/41/1070328941.db2.gz ZFAZAFHLLFNDHU-CEXWTWQISA-N 1 1 468.668 1.923 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001502384667 1070329086 /nfs/dbraw/zinc/32/90/86/1070329086.db2.gz WFVCQJBUHKSRJX-GOSISDBHSA-N 1 1 461.655 1.772 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493672338 1070329613 /nfs/dbraw/zinc/32/96/13/1070329613.db2.gz BQHPMUHIFYVXHS-SQNIBIBYSA-N 1 1 481.667 1.210 20 0 JDADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001493682080 1070333585 /nfs/dbraw/zinc/33/35/85/1070333585.db2.gz RLDNHCYBBMMGNW-PMACEKPBSA-N 1 1 462.639 1.978 20 0 JDADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001493680792 1070333668 /nfs/dbraw/zinc/33/36/68/1070333668.db2.gz HYLCDMDGYRGIAY-AZUAARDMSA-N 1 1 498.694 1.330 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493679801 1070332614 /nfs/dbraw/zinc/33/26/14/1070332614.db2.gz ZUKFCZXWNYLIAV-CVEARBPZSA-N 1 1 469.656 1.101 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([NH+]2CCN(CC)CC2)C1 ZINC001502389503 1070332764 /nfs/dbraw/zinc/33/27/64/1070332764.db2.gz GNFVSRVJIYQRQP-OAQYLSRUSA-N 1 1 485.681 1.518 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493682827 1070332998 /nfs/dbraw/zinc/33/29/98/1070332998.db2.gz ULGGTBNWMAOEAU-UXHICEINSA-N 1 1 494.706 1.995 20 0 JDADMO CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493680745 1070333057 /nfs/dbraw/zinc/33/30/57/1070333057.db2.gz HDFRJEYXHPRYTM-RTBURBONSA-N 1 1 482.695 1.899 20 0 JDADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001493683662 1070334231 /nfs/dbraw/zinc/33/42/31/1070334231.db2.gz XHLGKNFMNLSDHK-KRWDZBQOSA-N 1 1 478.667 1.707 20 0 JDADMO C[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001493694468 1070338349 /nfs/dbraw/zinc/33/83/49/1070338349.db2.gz YTLSLYRKJJIYAL-IRXDYDNUSA-N 1 1 474.009 1.918 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001493683663 1070334640 /nfs/dbraw/zinc/33/46/40/1070334640.db2.gz XHLGKNFMNLSDHK-QGZVFWFLSA-N 1 1 478.667 1.707 20 0 JDADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001493693864 1070338506 /nfs/dbraw/zinc/33/85/06/1070338506.db2.gz WNZOJENPUWYSSS-ZACQAIPSSA-N 1 1 471.672 1.360 20 0 JDADMO C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC001493693969 1070338542 /nfs/dbraw/zinc/33/85/42/1070338542.db2.gz XDWSJDOAAFCLRH-ROUUACIJSA-N 1 1 461.611 1.105 20 0 JDADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001493688984 1070335425 /nfs/dbraw/zinc/33/54/25/1070335425.db2.gz GZCGFPZILPWWEK-UYTYNIKBSA-N 1 1 492.712 1.267 20 0 JDADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC001493693851 1070336963 /nfs/dbraw/zinc/33/69/63/1070336963.db2.gz WNZOJENPUWYSSS-BRWVUGGUSA-N 1 1 471.672 1.360 20 0 JDADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c(Cc3ccncc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493693346 1070337175 /nfs/dbraw/zinc/33/71/75/1070337175.db2.gz TVBXHWAPIFCWOB-IBGZPJMESA-N 1 1 475.663 1.856 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001493693271 1070337547 /nfs/dbraw/zinc/33/75/47/1070337547.db2.gz SEOZFGXSZZTXBF-DLBZAZTESA-N 1 1 454.641 1.550 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001493693271 1070337576 /nfs/dbraw/zinc/33/75/76/1070337576.db2.gz SEOZFGXSZZTXBF-DLBZAZTESA-N 1 1 454.641 1.550 20 0 JDADMO C[C@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493694603 1070338101 /nfs/dbraw/zinc/33/81/01/1070338101.db2.gz BURFZPWBDJEUOR-QZTJIDSGSA-N 1 1 476.651 1.716 20 0 JDADMO C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493694599 1070338135 /nfs/dbraw/zinc/33/81/35/1070338135.db2.gz BURFZPWBDJEUOR-MSOLQXFVSA-N 1 1 476.651 1.716 20 0 JDADMO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493697698 1070339186 /nfs/dbraw/zinc/33/91/86/1070339186.db2.gz PPZNNOHCGGWIMH-GUDVDZBRSA-N 1 1 474.654 1.980 20 0 JDADMO C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493697448 1070339291 /nfs/dbraw/zinc/33/92/91/1070339291.db2.gz OIBLRJAKQYUIOW-NJYVYQBISA-N 1 1 461.655 1.503 20 0 JDADMO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493697697 1070339332 /nfs/dbraw/zinc/33/93/32/1070339332.db2.gz PPZNNOHCGGWIMH-CEXWTWQISA-N 1 1 474.654 1.980 20 0 JDADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001493713567 1070340327 /nfs/dbraw/zinc/34/03/27/1070340327.db2.gz KNTBFCOALFQKOA-IRXDYDNUSA-N 1 1 459.620 1.668 20 0 JDADMO C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@H](C)C1 ZINC001493713559 1070340537 /nfs/dbraw/zinc/34/05/37/1070340537.db2.gz KNTBFCOALFQKOA-DLBZAZTESA-N 1 1 459.620 1.668 20 0 JDADMO C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493717692 1070340969 /nfs/dbraw/zinc/34/09/69/1070340969.db2.gz RRYHUICWXVEDMJ-YSTOQKLRSA-N 1 1 468.668 1.668 20 0 JDADMO CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493784211 1070345049 /nfs/dbraw/zinc/34/50/49/1070345049.db2.gz AVGJHRSAKUTVGZ-JOCHJYFZSA-N 1 1 475.682 1.894 20 0 JDADMO CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)CCC1 ZINC001502401787 1070345416 /nfs/dbraw/zinc/34/54/16/1070345416.db2.gz YQQYFSSQCIEFGB-QZTJIDSGSA-N 1 1 461.611 1.083 20 0 JDADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001493791248 1070345692 /nfs/dbraw/zinc/34/56/92/1070345692.db2.gz GLFUQEYPATZRPT-BURNTYAHSA-N 1 1 498.694 1.737 20 0 JDADMO CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)CCC1 ZINC001502402269 1070346253 /nfs/dbraw/zinc/34/62/53/1070346253.db2.gz DTACLLQIAUJLCS-HXUWFJFHSA-N 1 1 461.655 1.378 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796178 1070349067 /nfs/dbraw/zinc/34/90/67/1070349067.db2.gz JWSVARRMDYCNST-IRXDYDNUSA-N 1 1 477.635 1.356 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493794269 1070346769 /nfs/dbraw/zinc/34/67/69/1070346769.db2.gz VQZAMZXRYQWJNG-MOPGFXCFSA-N 1 1 496.678 1.163 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCNC(=O)CC2)C1 ZINC001493795538 1070347504 /nfs/dbraw/zinc/34/75/04/1070347504.db2.gz CLMQIHWIZMDBOP-QGZVFWFLSA-N 1 1 460.604 1.407 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]([C@H]3CCOC3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795884 1070347707 /nfs/dbraw/zinc/34/77/07/1070347707.db2.gz IOYDHDPJMMYDJQ-HCXYKTFWSA-N 1 1 454.641 1.483 20 0 JDADMO 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1070822708 /nfs/dbraw/zinc/82/27/08/1070822708.db2.gz OOHQKNRFEYJRLB-GCJKJVERSA-N 1 1 450.584 1.693 20 0 JDADMO CC[C@H](C)c1nnc(N2CC[NH+](CCOC)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001495846790 1070823232 /nfs/dbraw/zinc/82/32/32/1070823232.db2.gz QWROLZGZJVVPJW-KRWDZBQOSA-N 1 1 450.609 1.516 20 0 JDADMO CC[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+](CC)CCC(F)(F)F ZINC001495848869 1070823444 /nfs/dbraw/zinc/82/34/44/1070823444.db2.gz BQGKMEJRRIXQDD-CABCVRRESA-N 1 1 459.517 1.213 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)[C@@H](C)C3)n2CCCn2cc[nH+]c2C)CCOC1 ZINC001502715461 1070823698 /nfs/dbraw/zinc/82/36/98/1070823698.db2.gz VYIHDLOKQZJEDG-JTSKRJEESA-N 1 1 461.567 1.802 20 0 JDADMO CCO[C@@]1(c2nnc(N3CC[N@H+](C4CCC4)C[C@@H](C)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001502717806 1070825948 /nfs/dbraw/zinc/82/59/48/1070825948.db2.gz LGAUOOMXWYRZKM-GCJKJVERSA-N 1 1 484.667 1.132 20 0 JDADMO CC[C@H](C)c1nnc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001495851820 1070826047 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ZINC001502721920 1070830022 /nfs/dbraw/zinc/83/00/22/1070830022.db2.gz JLVAPWQNZBOWNC-FTBPSBKWSA-N 1 1 473.618 1.947 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O ZINC001496105269 1070830210 /nfs/dbraw/zinc/83/02/10/1070830210.db2.gz CKSQPGXYQYKGNY-SFHVURJKSA-N 1 1 481.601 1.977 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001496106327 1070830320 /nfs/dbraw/zinc/83/03/20/1070830320.db2.gz LKMCTRNNHUXDKR-ZWKOTPCHSA-N 1 1 469.656 1.010 20 0 JDADMO CCO[C@]1(c2nnc(N3CC[NH+](C[C@@H](O)c4ccccc4)CC3)n2C[C@](C)(O)CC)CCOC1 ZINC001502721923 1070830384 /nfs/dbraw/zinc/83/03/84/1070830384.db2.gz JLVAPWQNZBOWNC-NQHRYMMQSA-N 1 1 473.618 1.947 20 0 JDADMO CCO[C@@]1(c2nnc(N3CC[N@@H+](CC)[C@@H](C)C3)n2CCNC(=O)Cc2cccc(F)c2)CCOC1 ZINC001502722518 1070830521 /nfs/dbraw/zinc/83/05/21/1070830521.db2.gz MFDJMEAUVNOGFA-DFBJGRDBSA-N 1 1 488.608 1.959 20 0 JDADMO CCO[C@]1(c2nnc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)n2CC(=O)NCC(F)F)CCOC1 ZINC001502722481 1070830535 /nfs/dbraw/zinc/83/05/35/1070830535.db2.gz MAVBPXCVZFNBFM-OPAMFIHVSA-N 1 1 486.564 1.001 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 ZINC001496109092 1070830742 /nfs/dbraw/zinc/83/07/42/1070830742.db2.gz ZOJGAQADLCOPKI-LJQANCHMSA-N 1 1 458.611 1.863 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(c2nccs2)CC1 ZINC001496114739 1070830767 /nfs/dbraw/zinc/83/07/67/1070830767.db2.gz FJJGGWICSUEIQC-IAGOWNOFSA-N 1 1 484.696 1.792 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001496158795 1070831688 /nfs/dbraw/zinc/83/16/88/1070831688.db2.gz HAZPHOLFRXQHJU-IBGZPJMESA-N 1 1 454.623 1.779 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 ZINC001496158755 1070831937 /nfs/dbraw/zinc/83/19/37/1070831937.db2.gz GPYIMYZMBVZRPF-LZLYRXPVSA-N 1 1 459.599 1.534 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001496160448 1070831945 /nfs/dbraw/zinc/83/19/45/1070831945.db2.gz NHIZBFITISJJRN-INIZCTEOSA-N 1 1 475.619 1.403 20 0 JDADMO COc1cc(C[NH+]2CCN(c3nnc(C4CCC4)n3CCNS(C)(=O)=O)CC2)cc(OC)c1 ZINC001504098244 1070832230 /nfs/dbraw/zinc/83/22/30/1070832230.db2.gz JTHKJUYYARRLFW-UHFFFAOYSA-N 1 1 478.619 1.434 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC001496161275 1070832275 /nfs/dbraw/zinc/83/22/75/1070832275.db2.gz XSXBYQOSMQRTTR-FXAWDEMLSA-N 1 1 485.637 1.339 20 0 JDADMO CCO[C@]1(c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502723115 1070832364 /nfs/dbraw/zinc/83/23/64/1070832364.db2.gz UDLHTURDHAKOLF-DNRQZRRGSA-N 1 1 492.665 1.592 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 ZINC001496161894 1070832525 /nfs/dbraw/zinc/83/25/25/1070832525.db2.gz CKQTZCYXOGAMRA-QZTJIDSGSA-N 1 1 462.624 1.027 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 ZINC001496166185 1070833024 /nfs/dbraw/zinc/83/30/24/1070833024.db2.gz SMMYPTPHFDGECS-HZPDHXFCSA-N 1 1 471.653 1.434 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001496166087 1070833060 /nfs/dbraw/zinc/83/30/60/1070833060.db2.gz RQIXUKXGYDQLGZ-JQVVWYNYSA-N 1 1 484.667 1.348 20 0 JDADMO COc1cc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CCC(C)(C)O)CC2)cc(OC)c1 ZINC001504100353 1070833093 /nfs/dbraw/zinc/83/30/93/1070833093.db2.gz ZTQCZWPEWXMGCI-UHFFFAOYSA-N 1 1 486.617 1.901 20 0 JDADMO CC[C@H](C)[N@@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001496181502 1070833380 /nfs/dbraw/zinc/83/33/80/1070833380.db2.gz SXAYQUHEXODUSJ-KRWDZBQOSA-N 1 1 486.621 1.826 20 0 JDADMO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCOC1 ZINC001502724496 1070833466 /nfs/dbraw/zinc/83/34/66/1070833466.db2.gz AYHSFZJFQPNPKX-NFBKMPQASA-N 1 1 498.694 1.380 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 ZINC001496189355 1070833803 /nfs/dbraw/zinc/83/38/03/1070833803.db2.gz WALLFWCZVMHJFU-OAHLLOKOSA-N 1 1 454.622 1.235 20 0 JDADMO COc1cc(Cl)ccc1-c1nnc(N2CCN(C(=O)C(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504103673 1070834056 /nfs/dbraw/zinc/83/40/56/1070834056.db2.gz BCPOAULFMQBMFC-HSZRJFAPSA-N 1 1 477.009 1.978 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001496200531 1070834130 /nfs/dbraw/zinc/83/41/30/1070834130.db2.gz XDAHROXCXDABBE-HCXYKTFWSA-N 1 1 477.610 1.205 20 0 JDADMO CC[C@@H](C)[N@@H+](C)CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001496196890 1070834228 /nfs/dbraw/zinc/83/42/28/1070834228.db2.gz JRFNZRSKOMTGSC-DVECYGJZSA-N 1 1 488.637 1.636 20 0 JDADMO CCO[C@@]1(c2nnc(N3CC[NH+](C[C@@H]4CCCO4)CC3)n2CCNC(=O)C(C)C)CCOC1 ZINC001502725069 1070835070 /nfs/dbraw/zinc/83/50/70/1070835070.db2.gz HDTHEPURMUIRTA-CVDCTZTESA-N 1 1 464.611 1.003 20 0 JDADMO CCO[C@@]1(c2nnc(N3CC[NH+](CCOC)CC3)n2Cc2ccc(NC(N)=O)cc2)CCOC1 ZINC001502725770 1070835781 /nfs/dbraw/zinc/83/57/81/1070835781.db2.gz MJKKVTNPHBMKNQ-QHCPKHFHSA-N 1 1 473.578 1.238 20 0 JDADMO CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001496209893 1070835855 /nfs/dbraw/zinc/83/58/55/1070835855.db2.gz FOHGRCHVGAGDBC-VQTJNVASSA-N 1 1 475.638 1.368 20 0 JDADMO CCO[C@]1(c2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](C)C[NH+]2CCOCC2)CCOC1 ZINC001502728656 1070838923 /nfs/dbraw/zinc/83/89/23/1070838923.db2.gz JFBWFPQOXWUGGM-ZRCGQRJVSA-N 1 1 451.612 1.760 20 0 JDADMO CCO[C@@]1(c2nnc(N3CC[NH+](Cc4ccccc4OC)CC3)n2CC(=O)N(C)C)CCOC1 ZINC001502726369 1070836972 /nfs/dbraw/zinc/83/69/72/1070836972.db2.gz UILJMAXTACJILN-DEOSSOPVSA-N 1 1 472.590 1.349 20 0 JDADMO CC[C@@H](C)NC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001496223565 1070837446 /nfs/dbraw/zinc/83/74/46/1070837446.db2.gz OPJPZGRYVOIBGZ-SJORKVTESA-N 1 1 457.645 1.114 20 0 JDADMO CCO[C@]1(c2nnc(N3CCNC(=O)[C@@H]3CC)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOC1 ZINC001502729539 1070840716 /nfs/dbraw/zinc/84/07/16/1070840716.db2.gz REGGBRBGYDHTEI-QPXQOZNCSA-N 1 1 464.611 1.144 20 0 JDADMO CCO[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CC[N@@H+](C)CCOC)CCOC1 ZINC001502730168 1070841254 /nfs/dbraw/zinc/84/12/54/1070841254.db2.gz XSZKXIPVUWXRRR-MAUKXSAKSA-N 1 1 451.490 1.276 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CC[N@@H+](C)CCOC)CCOC1 ZINC001502730169 1070841452 /nfs/dbraw/zinc/84/14/52/1070841452.db2.gz XSZKXIPVUWXRRR-QAPCUYQASA-N 1 1 451.490 1.276 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N(C)CCc3cnccn3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001504118698 1070841571 /nfs/dbraw/zinc/84/15/71/1070841571.db2.gz ZVOKABZSAJCCEI-QHCPKHFHSA-N 1 1 453.547 1.498 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3C[C@H]([NH+]4CCOCC4)[C@@H](C)C3)n2CCCNC(C)=O)c1 ZINC001504120304 1070841886 /nfs/dbraw/zinc/84/18/86/1070841886.db2.gz QZENWHBIEUQVDF-JTSKRJEESA-N 1 1 472.590 1.645 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCO[C@](C)(CC)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCOC1 ZINC001502731968 1070842130 /nfs/dbraw/zinc/84/21/30/1070842130.db2.gz CLHYRTOFBNNNKB-RPWUZVMVSA-N 1 1 464.655 1.962 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C)[C@H](OC)C3)n2CC[NH+]2CCN(C(C)=O)CC2)c1 ZINC001504120729 1070842278 /nfs/dbraw/zinc/84/22/78/1070842278.db2.gz BAGJWHYHOGNNAK-WZONZLPQSA-N 1 1 486.617 1.988 20 0 JDADMO CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001496268055 1070842830 /nfs/dbraw/zinc/84/28/30/1070842830.db2.gz CXPPECSNDDWXSH-IRXDYDNUSA-N 1 1 462.545 1.973 20 0 JDADMO CC[C@H](C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001496268055 1070842831 /nfs/dbraw/zinc/84/28/31/1070842831.db2.gz CXPPECSNDDWXSH-IRXDYDNUSA-N 1 1 462.545 1.973 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001504123558 1070843256 /nfs/dbraw/zinc/84/32/56/1070843256.db2.gz AISNFQQMGKJDMV-KRWDZBQOSA-N 1 1 472.590 1.775 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001504123558 1070843258 /nfs/dbraw/zinc/84/32/58/1070843258.db2.gz AISNFQQMGKJDMV-KRWDZBQOSA-N 1 1 472.590 1.775 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCO[C@@H](CC)C3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1 ZINC001502736215 1070844251 /nfs/dbraw/zinc/84/42/51/1070844251.db2.gz GLFAKUKHWFCPAU-URXFXBBRSA-N 1 1 464.655 1.819 20 0 JDADMO CCO[C@]1(c2nnc(N3CCO[C@@H](CC)C3)n2CC2CCN(CC[NH+](C)C)CC2)CCOC1 ZINC001502736216 1070844309 /nfs/dbraw/zinc/84/43/09/1070844309.db2.gz GLFAKUKHWFCPAU-XUZZJYLKSA-N 1 1 464.655 1.819 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@H+](CC(=O)N4CCCC4)CC3)n2CC(=O)N(C)C)c1 ZINC001504125551 1070844340 /nfs/dbraw/zinc/84/43/40/1070844340.db2.gz GZYPUWHBGAYTLE-UHFFFAOYSA-N 1 1 499.616 1.185 20 0 JDADMO COc1cc(OC)cc(-c2nnc(N3CCC[N@@H+](CC(=O)N4CCCC4)CC3)n2CC(=O)N(C)C)c1 ZINC001504125551 1070844341 /nfs/dbraw/zinc/84/43/41/1070844341.db2.gz GZYPUWHBGAYTLE-UHFFFAOYSA-N 1 1 499.616 1.185 20 0 JDADMO CC[C@H](C)NC(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001496281646 1070844927 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CCOCCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503188802 1071135814 /nfs/dbraw/zinc/13/58/14/1071135814.db2.gz YXZCXNBQAYNNPS-UHFFFAOYSA-N 1 1 466.590 1.972 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001504402581 1071137179 /nfs/dbraw/zinc/13/71/79/1071137179.db2.gz BGRXFZSIWRANHS-IBGZPJMESA-N 1 1 456.591 1.514 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCC(=O)N(C)C ZINC001504402583 1071137275 /nfs/dbraw/zinc/13/72/75/1071137275.db2.gz BGRXFZSIWRANHS-LJQANCHMSA-N 1 1 456.591 1.514 20 0 JDADMO CCOCCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503199666 1071142910 /nfs/dbraw/zinc/14/29/10/1071142910.db2.gz RJVDMEXZGNLORK-IEGUWTFLSA-N 1 1 466.627 1.978 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001504406079 1071143145 /nfs/dbraw/zinc/14/31/45/1071143145.db2.gz GLRSTYWWCQTSCF-AREMUKBSSA-N 1 1 483.661 1.853 20 0 JDADMO 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CCOCCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503215376 1071163168 /nfs/dbraw/zinc/16/31/68/1071163168.db2.gz UEWVTTOZWHGXFN-XMMPIXPASA-N 1 1 478.638 1.490 20 0 JDADMO CCOCCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503215376 1071163182 /nfs/dbraw/zinc/16/31/82/1071163182.db2.gz UEWVTTOZWHGXFN-XMMPIXPASA-N 1 1 478.638 1.490 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1CC ZINC001503215458 1071165126 /nfs/dbraw/zinc/16/51/26/1071165126.db2.gz GAODIQJKYSMOIK-SJORKVTESA-N 1 1 458.554 1.778 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c[nH]nc3c2)CC1 ZINC001503216283 1071165901 /nfs/dbraw/zinc/16/59/01/1071165901.db2.gz MKKXPQZUCMHASE-UHFFFAOYSA-N 1 1 454.579 1.694 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccn(C)n2)C[C@@H]1CC ZINC001503216382 1071166144 /nfs/dbraw/zinc/16/61/44/1071166144.db2.gz ONBDOQYPPKESSB-FQEVSTJZSA-N 1 1 458.611 1.427 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1CC ZINC001503216774 1071166304 /nfs/dbraw/zinc/16/63/04/1071166304.db2.gz QOPGFBWFNHYLPC-ZWKOTPCHSA-N 1 1 470.565 1.875 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)nc2)C[C@H]1CC ZINC001503217399 1071166872 /nfs/dbraw/zinc/16/68/72/1071166872.db2.gz YFIGOAZSFVGZAO-OAQYLSRUSA-N 1 1 484.649 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001503217423 1071166965 /nfs/dbraw/zinc/16/69/65/1071166965.db2.gz YKVWNXKNCDEHIH-UHFFFAOYSA-N 1 1 477.610 1.151 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)CC1 ZINC001503217295 1071166988 /nfs/dbraw/zinc/16/69/88/1071166988.db2.gz MLHIOVZOUBNKDU-INIZCTEOSA-N 1 1 454.597 1.305 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001503217489 1071167690 /nfs/dbraw/zinc/16/76/90/1071167690.db2.gz PANAFLVIOPLQTD-JPYJTQIMSA-N 1 1 463.554 1.867 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001503217487 1071167772 /nfs/dbraw/zinc/16/77/72/1071167772.db2.gz PANAFLVIOPLQTD-FDDCHVKYSA-N 1 1 463.554 1.867 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001503217519 1071167816 /nfs/dbraw/zinc/16/78/16/1071167816.db2.gz PHERGFFLMMEKDF-HOTGVXAUSA-N 1 1 464.583 1.482 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2cnnn2C)CC1 ZINC001503217652 1071168021 /nfs/dbraw/zinc/16/80/21/1071168021.db2.gz SDVWUUQTJZNBQS-UHFFFAOYSA-N 1 1 464.372 1.371 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1CC ZINC001503217462 1071168277 /nfs/dbraw/zinc/16/82/77/1071168277.db2.gz ZDDVNTKMCXCRJT-RTBURBONSA-N 1 1 475.638 1.366 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001503220333 1071174376 /nfs/dbraw/zinc/17/43/76/1071174376.db2.gz VHIYZAGCRUSTDD-UHFFFAOYSA-N 1 1 452.563 1.981 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccs2)CC1 ZINC001503218878 1071170691 /nfs/dbraw/zinc/17/06/91/1071170691.db2.gz JGBSBGVDVQVDMD-UHFFFAOYSA-N 1 1 455.588 1.990 20 0 JDADMO COc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504418073 1071170801 /nfs/dbraw/zinc/17/08/01/1071170801.db2.gz XPQZEBORGYATHB-QHCPKHFHSA-N 1 1 451.531 1.637 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001503218774 1071170945 /nfs/dbraw/zinc/17/09/45/1071170945.db2.gz RVRSDJOABQQECL-UHFFFAOYSA-N 1 1 491.040 1.316 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001503218912 1071171268 /nfs/dbraw/zinc/17/12/68/1071171268.db2.gz TYAWXFQHYVOTPS-HXUWFJFHSA-N 1 1 476.647 1.694 20 0 JDADMO CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503219444 1071172152 /nfs/dbraw/zinc/17/21/52/1071172152.db2.gz MTPHYKSQIMNAIR-BGYRXZFFSA-N 1 1 474.654 1.725 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC2CCCCC2)CC1 ZINC001503219160 1071172207 /nfs/dbraw/zinc/17/22/07/1071172207.db2.gz CESRYXQCIXYYQC-UHFFFAOYSA-N 1 1 456.595 1.733 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)C[C@@H]1CC ZINC001503220502 1071174879 /nfs/dbraw/zinc/17/48/79/1071174879.db2.gz WGXFJJSVZZZKER-FQEVSTJZSA-N 1 1 477.635 1.313 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)C[C@@H]1CC ZINC001503219801 1071173294 /nfs/dbraw/zinc/17/32/94/1071173294.db2.gz QFAAMRJPUOGPRZ-SFTDATJTSA-N 1 1 459.639 1.941 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001503221669 1071177975 /nfs/dbraw/zinc/17/79/75/1071177975.db2.gz CRWKQYBJQVRHNG-YADARESESA-N 1 1 459.591 1.576 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 ZINC001503221623 1071178141 /nfs/dbraw/zinc/17/81/41/1071178141.db2.gz CKUJJUDABGSOTG-JOCHJYFZSA-N 1 1 470.618 1.933 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001503221643 1071178195 /nfs/dbraw/zinc/17/81/95/1071178195.db2.gz UFCGEOCHBWSWDA-KRWDZBQOSA-N 1 1 486.564 1.219 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001503221554 1071178336 /nfs/dbraw/zinc/17/83/36/1071178336.db2.gz CAERVJIZQISPDQ-DEOSSOPVSA-N 1 1 456.591 1.514 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)CC1 ZINC001503222027 1071179000 /nfs/dbraw/zinc/17/90/00/1071179000.db2.gz VZKAWSZTSJMKQN-UHFFFAOYSA-N 1 1 468.537 1.463 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CC ZINC001503220559 1071174927 /nfs/dbraw/zinc/17/49/27/1071174927.db2.gz LVTLVMDOQMNQBP-YADHBBJMSA-N 1 1 497.644 1.916 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(=O)N(C)C)CC1 ZINC001503220977 1071175548 /nfs/dbraw/zinc/17/55/48/1071175548.db2.gz NQMYZRLNPQHHLF-UHFFFAOYSA-N 1 1 482.589 1.621 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001504424101 1071180115 /nfs/dbraw/zinc/18/01/15/1071180115.db2.gz MTEQZLBLJJAXMW-UHFFFAOYSA-N 1 1 499.616 1.029 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N2CCOCC2)C[C@@H]1CC ZINC001503222272 1071180972 /nfs/dbraw/zinc/18/09/72/1071180972.db2.gz YHHFQOBEUISQMW-FQEVSTJZSA-N 1 1 471.606 1.444 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001503222107 1071181524 /nfs/dbraw/zinc/18/15/24/1071181524.db2.gz WWRGDFLNUNHQNP-UHFFFAOYSA-N 1 1 471.587 1.345 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001503223331 1071186070 /nfs/dbraw/zinc/18/60/70/1071186070.db2.gz LFUOTHSECQRADW-UHFFFAOYSA-N 1 1 488.724 1.404 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C[C@@H]1CC ZINC001503222718 1071184158 /nfs/dbraw/zinc/18/41/58/1071184158.db2.gz JNFKAQCHBRGKSG-FQEVSTJZSA-N 1 1 496.678 1.162 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001503222915 1071184875 /nfs/dbraw/zinc/18/48/75/1071184875.db2.gz INZVUYJFXFFAJP-UHFFFAOYSA-N 1 1 474.581 1.415 20 0 JDADMO COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504425926 1071184892 /nfs/dbraw/zinc/18/48/92/1071184892.db2.gz VZAKNLYSAPJIBG-HTAPYJJXSA-N 1 1 478.619 1.246 20 0 JDADMO COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504425927 1071185082 /nfs/dbraw/zinc/18/50/82/1071185082.db2.gz VZAKNLYSAPJIBG-JTSKRJEESA-N 1 1 478.619 1.246 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 ZINC001503223389 1071186215 /nfs/dbraw/zinc/18/62/15/1071186215.db2.gz MAMHXMMTWIDXOR-SFHVURJKSA-N 1 1 480.516 1.330 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccsc2)CC1 ZINC001503223118 1071186748 /nfs/dbraw/zinc/18/67/48/1071186748.db2.gz NPTBPJPMWDSEBN-JOCHJYFZSA-N 1 1 462.620 1.528 20 0 JDADMO 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CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001503241789 1071232608 /nfs/dbraw/zinc/23/26/08/1071232608.db2.gz UZQOCXLFIKNQJU-FGTMMUONSA-N 1 1 468.668 1.999 20 0 JDADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001503243017 1071235505 /nfs/dbraw/zinc/23/55/05/1071235505.db2.gz IIYMUCMNOUBGHF-HRAATJIYSA-N 1 1 453.584 1.334 20 0 JDADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503243017 1071235525 /nfs/dbraw/zinc/23/55/25/1071235525.db2.gz IIYMUCMNOUBGHF-HRAATJIYSA-N 1 1 453.584 1.334 20 0 JDADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001503243778 1071239633 /nfs/dbraw/zinc/23/96/33/1071239633.db2.gz AEOBNDGLACQABC-KKSFZXQISA-N 1 1 469.583 1.495 20 0 JDADMO CCS(=O)(=O)CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503243778 1071239646 /nfs/dbraw/zinc/23/96/46/1071239646.db2.gz AEOBNDGLACQABC-KKSFZXQISA-N 1 1 469.583 1.495 20 0 JDADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001503243870 1071239692 /nfs/dbraw/zinc/23/96/92/1071239692.db2.gz VVQVEVGYHMFGEP-QZTJIDSGSA-N 1 1 467.640 1.439 20 0 JDADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001503244014 1071240400 /nfs/dbraw/zinc/24/04/00/1071240400.db2.gz LTMLBZKPJMXLGP-SIKLNZKXSA-N 1 1 491.658 1.922 20 0 JDADMO CCS(=O)(=O)CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001503243469 1071237185 /nfs/dbraw/zinc/23/71/85/1071237185.db2.gz HOYDXWPSAASVDS-SFHVURJKSA-N 1 1 468.668 1.896 20 0 JDADMO CCS(=O)(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001503244623 1071242355 /nfs/dbraw/zinc/24/23/55/1071242355.db2.gz OQUBDYBQQAVNGA-UHFFFAOYSA-N 1 1 477.635 1.918 20 0 JDADMO CCS(=O)(=O)CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001503244623 1071242364 /nfs/dbraw/zinc/24/23/64/1071242364.db2.gz OQUBDYBQQAVNGA-UHFFFAOYSA-N 1 1 477.635 1.918 20 0 JDADMO 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/nfs/dbraw/zinc/53/30/74/1071533074.db2.gz LVKPJBRERHRTHE-QRWLVFNGSA-N 1 1 467.412 1.976 20 0 JDADMO COC[C@H]1CCCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001504674447 1071533287 /nfs/dbraw/zinc/53/32/87/1071533287.db2.gz LVKPJBRERHRTHE-MGPUTAFESA-N 1 1 467.412 1.976 20 0 JDADMO COC[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001504689444 1071545670 /nfs/dbraw/zinc/54/56/70/1071545670.db2.gz MIDOPDPCJVBACJ-MIZPHKNDSA-N 1 1 451.612 1.760 20 0 JDADMO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001504690451 1071546525 /nfs/dbraw/zinc/54/65/25/1071546525.db2.gz UCBVLZLYZPLLSA-QZTJIDSGSA-N 1 1 472.656 1.252 20 0 JDADMO CCSCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503338457 1071544324 /nfs/dbraw/zinc/54/43/24/1071544324.db2.gz GXZVSMFCRHJAIC-MJGOQNOKSA-N 1 1 465.668 1.548 20 0 JDADMO COCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001504697248 1071549522 /nfs/dbraw/zinc/54/95/22/1071549522.db2.gz ADGQOVAQYIFIDP-OALUTQOASA-N 1 1 461.611 1.035 20 0 JDADMO COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001504698830 1071549641 /nfs/dbraw/zinc/54/96/41/1071549641.db2.gz ARUGVRGTTUEIRL-OALUTQOASA-N 1 1 484.667 1.206 20 0 JDADMO COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001504698831 1071549794 /nfs/dbraw/zinc/54/97/94/1071549794.db2.gz ARUGVRGTTUEIRL-RBUKOAKNSA-N 1 1 484.667 1.206 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC2CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001503356833 1071555615 /nfs/dbraw/zinc/55/56/15/1071555615.db2.gz AEDBJEVSIFYXPH-VQTJNVASSA-N 1 1 480.679 1.577 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC2CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001503356833 1071555638 /nfs/dbraw/zinc/55/56/38/1071555638.db2.gz AEDBJEVSIFYXPH-VQTJNVASSA-N 1 1 480.679 1.577 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CCO1 ZINC001504707315 1071556553 /nfs/dbraw/zinc/55/65/53/1071556553.db2.gz BRGVPSOABXUCSW-QRVBRYPASA-N 1 1 464.611 1.254 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001503357164 1071557740 /nfs/dbraw/zinc/55/77/40/1071557740.db2.gz GFWDEZMRHHSTRD-IAGOWNOFSA-N 1 1 454.641 1.142 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001503357164 1071557757 /nfs/dbraw/zinc/55/77/57/1071557757.db2.gz GFWDEZMRHHSTRD-IAGOWNOFSA-N 1 1 454.641 1.142 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504708370 1071559384 /nfs/dbraw/zinc/55/93/84/1071559384.db2.gz HJPXBMCLEIDMBQ-QYZOEREBSA-N 1 1 473.578 1.134 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001504708167 1071558191 /nfs/dbraw/zinc/55/81/91/1071558191.db2.gz GHOVDJLKXIDFFG-CVDCTZTESA-N 1 1 458.563 1.065 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357216 1071558070 /nfs/dbraw/zinc/55/80/70/1071558070.db2.gz HNEWNCYMQGWRGJ-FQEVSTJZSA-N 1 1 471.654 1.578 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504708362 1071558833 /nfs/dbraw/zinc/55/88/33/1071558833.db2.gz HJPXBMCLEIDMBQ-FHWLQOOXSA-N 1 1 473.578 1.134 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(COc2ccc(F)cc2)nnc1N1CCOCC1 ZINC001503357425 1071558914 /nfs/dbraw/zinc/55/89/14/1071558914.db2.gz KHBLPLDKJRQOMR-FQEVSTJZSA-N 1 1 460.554 1.776 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)C[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001504708365 1071558917 /nfs/dbraw/zinc/55/89/17/1071558917.db2.gz HJPXBMCLEIDMBQ-OTWHNJEPSA-N 1 1 473.578 1.134 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001503357664 1071560034 /nfs/dbraw/zinc/56/00/34/1071560034.db2.gz AEWDUOFHFSRTGO-PMACEKPBSA-N 1 1 475.638 1.207 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357870 1071560820 /nfs/dbraw/zinc/56/08/20/1071560820.db2.gz BKWTWWVDNGJMMC-SJORKVTESA-N 1 1 460.608 1.265 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357861 1071561216 /nfs/dbraw/zinc/56/12/16/1071561216.db2.gz BKWTWWVDNGJMMC-DLBZAZTESA-N 1 1 460.608 1.265 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001503357697 1071561381 /nfs/dbraw/zinc/56/13/81/1071561381.db2.gz BHQPTNFWZZYVDA-VQTJNVASSA-N 1 1 494.706 1.995 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001503357697 1071561396 /nfs/dbraw/zinc/56/13/96/1071561396.db2.gz BHQPTNFWZZYVDA-VQTJNVASSA-N 1 1 494.706 1.995 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccn1 ZINC001503357926 1071561927 /nfs/dbraw/zinc/56/19/27/1071561927.db2.gz PPFHJHMVDXNKCC-HXUWFJFHSA-N 1 1 468.606 1.375 20 0 JDADMO COC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CCO1 ZINC001504709893 1071563189 /nfs/dbraw/zinc/56/31/89/1071563189.db2.gz BKFOLWPZTBGXFR-YLJYHZDGSA-N 1 1 466.380 1.626 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1C(C)(C)C ZINC001503358081 1071563205 /nfs/dbraw/zinc/56/32/05/1071563205.db2.gz QBGSQCDAANDRLO-LJQANCHMSA-N 1 1 473.666 1.967 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H](C)O1 ZINC001504710019 1071563435 /nfs/dbraw/zinc/56/34/35/1071563435.db2.gz GSNZYDIBCNEREG-DOAHWQAKSA-N 1 1 463.554 1.864 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001503358153 1071564307 /nfs/dbraw/zinc/56/43/07/1071564307.db2.gz GMPHFVPTEBRMDC-FQEVSTJZSA-N 1 1 462.639 1.978 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001503358153 1071564337 /nfs/dbraw/zinc/56/43/37/1071564337.db2.gz GMPHFVPTEBRMDC-FQEVSTJZSA-N 1 1 462.639 1.978 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001503358211 1071564464 /nfs/dbraw/zinc/56/44/64/1071564464.db2.gz SGYLWBLVOBQWCM-RTBURBONSA-N 1 1 495.550 1.974 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N1CCCC(C)(C)C1 ZINC001503358181 1071564499 /nfs/dbraw/zinc/56/44/99/1071564499.db2.gz RQYDICIYJWWSMA-IBGZPJMESA-N 1 1 459.639 1.970 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358354 1071565172 /nfs/dbraw/zinc/56/51/72/1071565172.db2.gz GVHQBKUDFJFDCJ-IAGOWNOFSA-N 1 1 485.555 1.951 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358357 1071565385 /nfs/dbraw/zinc/56/53/85/1071565385.db2.gz GVHQBKUDFJFDCJ-IRXDYDNUSA-N 1 1 485.555 1.951 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)OC1CCCC1 ZINC001503358267 1071565721 /nfs/dbraw/zinc/56/57/21/1071565721.db2.gz FQQYCKWGLMQDFZ-MJGOQNOKSA-N 1 1 482.651 1.433 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)OC1CCCC1 ZINC001503358267 1071565731 /nfs/dbraw/zinc/56/57/31/1071565731.db2.gz FQQYCKWGLMQDFZ-MJGOQNOKSA-N 1 1 482.651 1.433 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001503358351 1071565769 /nfs/dbraw/zinc/56/57/69/1071565769.db2.gz GVHQBKUDFJFDCJ-DLBZAZTESA-N 1 1 485.555 1.951 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001503358710 1071567287 /nfs/dbraw/zinc/56/72/87/1071567287.db2.gz KUOTUDYEBVUHNA-FQEVSTJZSA-N 1 1 462.639 1.978 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc(-c3cnccn3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001503358768 1071567434 /nfs/dbraw/zinc/56/74/34/1071567434.db2.gz LHAWYZTVQNXNCS-UHFFFAOYSA-N 1 1 469.638 1.456 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001503358768 1071567444 /nfs/dbraw/zinc/56/74/44/1071567444.db2.gz LHAWYZTVQNXNCS-UHFFFAOYSA-N 1 1 469.638 1.456 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001503358768 1071567457 /nfs/dbraw/zinc/56/74/57/1071567457.db2.gz LHAWYZTVQNXNCS-UHFFFAOYSA-N 1 1 469.638 1.456 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 ZINC001503358644 1071567491 /nfs/dbraw/zinc/56/74/91/1071567491.db2.gz XXEAOEACDBCARP-NHCUHLMSSA-N 1 1 483.617 1.808 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001503358780 1071568052 /nfs/dbraw/zinc/56/80/52/1071568052.db2.gz LJNJLLLXNPPWKE-FQEVSTJZSA-N 1 1 494.706 1.997 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001503358780 1071568060 /nfs/dbraw/zinc/56/80/60/1071568060.db2.gz LJNJLLLXNPPWKE-FQEVSTJZSA-N 1 1 494.706 1.997 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359171 1071569028 /nfs/dbraw/zinc/56/90/28/1071569028.db2.gz KBOVZLHMESTMLE-LEWJYISDSA-N 1 1 455.607 1.679 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001503359439 1071569941 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CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCSC3)C[C@H]2C)CC1 ZINC001508269083 1073036890 /nfs/dbraw/zinc/03/68/90/1073036890.db2.gz IXPJKMQIZRYQCS-CDMIOBSGSA-N 1 1 450.653 1.432 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3CCC(=O)NC(C)(C)C)C[C@H]2C)CC1 ZINC001508269178 1073037335 /nfs/dbraw/zinc/03/73/35/1073037335.db2.gz JEBSEVMUGFGEMW-YLJYHZDGSA-N 1 1 459.639 1.839 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCN(C)CC(F)(F)F)C[C@@H]2C)CC1 ZINC001508269137 1073037350 /nfs/dbraw/zinc/03/73/50/1073037350.db2.gz JCXGSUCRRZJHMC-FXAWDEMLSA-N 1 1 494.566 1.823 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3cnn(C)n3)C[C@H]2C)CC1 ZINC001508269977 1073037653 /nfs/dbraw/zinc/03/76/53/1073037653.db2.gz KSFBTZGWJIUXSG-WIYYLYMNSA-N 1 1 471.654 1.617 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508269750 1073037671 /nfs/dbraw/zinc/03/76/71/1073037671.db2.gz JSRYGPVKFGLYLT-XLIONFOSSA-N 1 1 456.595 1.177 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3cnn(C)n3)C[C@@H]2C)CC1 ZINC001508269974 1073037727 /nfs/dbraw/zinc/03/77/27/1073037727.db2.gz KSFBTZGWJIUXSG-GHTZIAJQSA-N 1 1 471.654 1.617 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4ccc[nH]4)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508269746 1073037801 /nfs/dbraw/zinc/03/78/01/1073037801.db2.gz JSRYGPVKFGLYLT-FXAWDEMLSA-N 1 1 456.595 1.177 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3cnn(C)n3)C[C@H]2C)CC1 ZINC001508269975 1073037851 /nfs/dbraw/zinc/03/78/51/1073037851.db2.gz KSFBTZGWJIUXSG-NQIIRXRSSA-N 1 1 471.654 1.617 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(OCC(N)=O)c3)C[C@@H]2C)CC1 ZINC001508269847 1073037902 /nfs/dbraw/zinc/03/79/02/1073037902.db2.gz KDYFJPKEEHKUOM-AVRDEDQJSA-N 1 1 497.644 1.477 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCS3)C[C@H]2C)CC1 ZINC001508271544 1073039229 /nfs/dbraw/zinc/03/92/29/1073039229.db2.gz MBIUHNZEPQGVBF-BHIYHBOVSA-N 1 1 463.652 1.301 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]2C)CC1 ZINC001508271661 1073039874 /nfs/dbraw/zinc/03/98/74/1073039874.db2.gz MEXNEZWJASFYQV-OXJNMPFZSA-N 1 1 461.611 1.442 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccn4C)n3CCNC(=O)C(C)(C)C)C[C@H]2C)CC1 ZINC001508272155 1073040463 /nfs/dbraw/zinc/04/04/63/1073040463.db2.gz NFPYLMRFESVINY-NQIIRXRSSA-N 1 1 484.649 1.435 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC001508273120 1073040959 /nfs/dbraw/zinc/04/09/59/1073040959.db2.gz OOIRISBBMBMZRC-GCJKJVERSA-N 1 1 467.618 1.613 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccccn4)n3CCCNC(=O)C(C)C)C[C@H]2C)CC1 ZINC001508273075 1073041000 /nfs/dbraw/zinc/04/10/00/1073041000.db2.gz OLEDWJKGROONNC-NFBKMPQASA-N 1 1 496.660 1.415 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccnc4)n3CCCNC(=O)C(C)C)C[C@@H]2C)CC1 ZINC001508274672 1073044209 /nfs/dbraw/zinc/04/42/09/1073044209.db2.gz QXYVWIBLSRNVAP-UGKGYDQZSA-N 1 1 482.633 1.491 20 0 JDADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508274679 1073044389 /nfs/dbraw/zinc/04/43/89/1073044389.db2.gz QZBZDEBCNXXLRF-PZJWPPBQSA-N 1 1 476.670 1.135 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[C@H]3C[C@H](F)C3)C[C@@H]2C)CC1 ZINC001508274742 1073044850 /nfs/dbraw/zinc/04/48/50/1073044850.db2.gz RREZXHWZDNQQJT-CZKCSJLSSA-N 1 1 499.657 1.015 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)n3)C[C@H]2C)CC1 ZINC001508275868 1073046800 /nfs/dbraw/zinc/04/68/00/1073046800.db2.gz UKNIESRADCURAH-XXBNENTESA-N 1 1 496.660 1.741 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H](C)CNC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001508276178 1073047600 /nfs/dbraw/zinc/04/76/00/1073047600.db2.gz VUAQYHHNWKDEBW-MBOZVWFJSA-N 1 1 463.627 1.736 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@H](C)CNC(=O)OC(C)(C)C)C[C@@H]2C)CC1 ZINC001508276175 1073047619 /nfs/dbraw/zinc/04/76/19/1073047619.db2.gz VUAQYHHNWKDEBW-FUHIMQAGSA-N 1 1 463.627 1.736 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508276844 1073049214 /nfs/dbraw/zinc/04/92/14/1073049214.db2.gz WKVPQZWGCTWODX-AZUAARDMSA-N 1 1 461.655 1.770 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001508277229 1073049269 /nfs/dbraw/zinc/04/92/69/1073049269.db2.gz NZBXMQCYFAFZSC-KRWDZBQOSA-N 1 1 474.009 1.820 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)N3CCOCC3)C[C@@H]2C)CC1 ZINC001508276854 1073049299 /nfs/dbraw/zinc/04/92/99/1073049299.db2.gz WPCJGAAHAIGPMS-RBBKRZOGSA-N 1 1 475.682 1.576 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cnn(C)c4)n3CCCOC(F)F)C[C@@H]2C)CC1 ZINC001508276835 1073049437 /nfs/dbraw/zinc/04/94/37/1073049437.db2.gz WJCAOSRJODDHQB-YJBOKZPZSA-N 1 1 466.537 1.297 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)N3CCOCC3)C[C@H]2C)CC1 ZINC001508276852 1073049524 /nfs/dbraw/zinc/04/95/24/1073049524.db2.gz WPCJGAAHAIGPMS-IFMALSPDSA-N 1 1 475.682 1.576 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508276846 1073049569 /nfs/dbraw/zinc/04/95/69/1073049569.db2.gz WKVPQZWGCTWODX-QUCCMNQESA-N 1 1 461.655 1.770 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001508277288 1073049940 /nfs/dbraw/zinc/04/99/40/1073049940.db2.gz OVNQEEQYUNKLFI-HSZRJFAPSA-N 1 1 491.543 1.412 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)nc3)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001508277523 1073051262 /nfs/dbraw/zinc/05/12/62/1073051262.db2.gz AVVBDCUWPIKKGT-UHFFFAOYSA-N 1 1 477.013 1.509 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC[C@H](C)C2)CC1 ZINC001508277562 1073052026 /nfs/dbraw/zinc/05/20/26/1073052026.db2.gz QIGFHQTZYHSBNI-SFHVURJKSA-N 1 1 489.646 1.206 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc[nH]3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001508277659 1073052038 /nfs/dbraw/zinc/05/20/38/1073052038.db2.gz CHTGMXMDQUNYQV-LJQANCHMSA-N 1 1 486.621 1.931 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001508278281 1073052982 /nfs/dbraw/zinc/05/29/82/1073052982.db2.gz HOHWXFABZKWXOA-UHFFFAOYSA-N 1 1 463.945 1.180 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3ccccc3F)nnc2N2CCO[C@H](COC(C)C)C2)CC1 ZINC001508279163 1073057037 /nfs/dbraw/zinc/05/70/37/1073057037.db2.gz MRYIQCLDYCXXMD-FQEVSTJZSA-N 1 1 474.581 1.879 20 0 JDADMO CC(=O)Nc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@H+](C(C)C)CC2)cc1 ZINC001508283978 1073062911 /nfs/dbraw/zinc/06/29/11/1073062911.db2.gz OCLPIEOCTSDNPK-KRWDZBQOSA-N 1 1 477.635 1.816 20 0 JDADMO CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@@H+]2CCOC(C)(C)C2)cn1 ZINC001508295493 1073065633 /nfs/dbraw/zinc/06/56/33/1073065633.db2.gz TXXITNWNUXKSMU-SFHVURJKSA-N 1 1 470.578 1.178 20 0 JDADMO CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CC[N@H+]2CCOC(C)(C)C2)cn1 ZINC001508295493 1073065638 /nfs/dbraw/zinc/06/56/38/1073065638.db2.gz TXXITNWNUXKSMU-SFHVURJKSA-N 1 1 470.578 1.178 20 0 JDADMO CC(=O)NC1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001508302996 1073070194 /nfs/dbraw/zinc/07/01/94/1073070194.db2.gz VNWDNEIYGBWCTD-IPJUCJBFSA-N 1 1 467.640 1.034 20 0 JDADMO CC(=O)NC1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001508303562 1073071244 /nfs/dbraw/zinc/07/12/44/1073071244.db2.gz YKLBPLLARUUJPO-MOPIXIDXSA-N 1 1 497.710 1.892 20 0 JDADMO CC(=O)NC1CCC(N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001508306392 1073072911 /nfs/dbraw/zinc/07/29/11/1073072911.db2.gz LMJSBJRDMKXKLY-SLXFGWRHSA-N 1 1 458.582 1.958 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@@H+](C)C2CCCCC2)C1 ZINC001508311803 1073074996 /nfs/dbraw/zinc/07/49/96/1073074996.db2.gz BRAQCLAFEFAPER-MJGOQNOKSA-N 1 1 483.683 1.648 20 0 JDADMO CC(=O)N[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCC[N@H+]2CCCO)C1 ZINC001508313757 1073075870 /nfs/dbraw/zinc/07/58/70/1073075870.db2.gz GAIKICCPABQQHK-MSOLQXFVSA-N 1 1 494.438 1.987 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCc3sccc3C2)C1 ZINC001508313414 1073075959 /nfs/dbraw/zinc/07/59/59/1073075959.db2.gz BSQDGTYFYUHCGF-SFHVURJKSA-N 1 1 459.620 1.641 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCc3sccc3C2)C1 ZINC001508313414 1073075968 /nfs/dbraw/zinc/07/59/68/1073075968.db2.gz BSQDGTYFYUHCGF-SFHVURJKSA-N 1 1 459.620 1.641 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC[N@H+]2CCCO)C1 ZINC001508313764 1073076043 /nfs/dbraw/zinc/07/60/43/1073076043.db2.gz GAIKICCPABQQHK-ZWKOTPCHSA-N 1 1 494.438 1.987 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001508321039 1073080041 /nfs/dbraw/zinc/08/00/41/1073080041.db2.gz AMLGCMSVWXFVPJ-SFTDATJTSA-N 1 1 487.674 1.978 20 0 JDADMO CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCSCC2)C1 ZINC001508321426 1073080762 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CC[N@H+]1CCCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 ZINC001502293311 1070035922 /nfs/dbraw/zinc/03/59/22/1070035922.db2.gz BVRMMAVSYKJUCW-HNNXBMFYSA-N 1 1 450.385 1.857 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001502292923 1070035951 /nfs/dbraw/zinc/03/59/51/1070035951.db2.gz ZHIZBLWUVSCGIE-YRXWBPOGSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001502295078 1070037085 /nfs/dbraw/zinc/03/70/85/1070037085.db2.gz KWBITMXYPSFHNS-LJQANCHMSA-N 1 1 458.611 1.032 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001502292921 1070036099 /nfs/dbraw/zinc/03/60/99/1070036099.db2.gz ZHIZBLWUVSCGIE-MKXGPGLRSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001502295077 1070036556 /nfs/dbraw/zinc/03/65/56/1070036556.db2.gz KWBITMXYPSFHNS-IBGZPJMESA-N 1 1 458.611 1.032 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502293404 1070037131 /nfs/dbraw/zinc/03/71/31/1070037131.db2.gz FHUKJDUJOHUGNH-ICSRJNTNSA-N 1 1 490.630 1.174 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 ZINC001502296808 1070039888 /nfs/dbraw/zinc/03/98/88/1070039888.db2.gz PBPPKDAEUDCQJJ-OALUTQOASA-N 1 1 466.608 1.715 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001502296945 1070040573 /nfs/dbraw/zinc/04/05/73/1070040573.db2.gz RAORGSPEIWEYNX-GOSISDBHSA-N 1 1 462.624 1.470 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 ZINC001502297076 1070040600 /nfs/dbraw/zinc/04/06/00/1070040600.db2.gz TVCXQHGFZKFYPA-UXHICEINSA-N 1 1 484.667 1.348 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001502298823 1070041169 /nfs/dbraw/zinc/04/11/69/1070041169.db2.gz ZZAADEYUJOTXML-LEWJYISDSA-N 1 1 482.695 1.982 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001502297280 1070041327 /nfs/dbraw/zinc/04/13/27/1070041327.db2.gz WFOJTYHKWIZKPM-SLFFLAALSA-N 1 1 468.668 1.212 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001502296243 1070037517 /nfs/dbraw/zinc/03/75/17/1070037517.db2.gz FPGXWXSMFBHLBR-XUVXKRRUSA-N 1 1 469.652 1.686 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001502296333 1070037591 /nfs/dbraw/zinc/03/75/91/1070037591.db2.gz GYUNNXIEYPETGM-RBUKOAKNSA-N 1 1 495.694 1.685 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 ZINC001502297435 1070041710 /nfs/dbraw/zinc/04/17/10/1070041710.db2.gz ZGIWVXLVXFEUKU-VQTJNVASSA-N 1 1 480.679 1.749 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001502299351 1070042137 /nfs/dbraw/zinc/04/21/37/1070042137.db2.gz KMEWOBKWRITWCU-IRXDYDNUSA-N 1 1 480.660 1.767 20 0 JDADMO 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1070063842 /nfs/dbraw/zinc/06/38/42/1070063842.db2.gz HOHAIZYENYMBEW-YSTOQKLRSA-N 1 1 453.628 1.821 20 0 JDADMO C[C@H](CNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885445 1070063856 /nfs/dbraw/zinc/06/38/56/1070063856.db2.gz HOHAIZYENYMBEW-YSTOQKLRSA-N 1 1 453.628 1.821 20 0 JDADMO C[C@H](CNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885446 1070063947 /nfs/dbraw/zinc/06/39/47/1070063947.db2.gz HOHAIZYENYMBEW-ZRNYENFQSA-N 1 1 453.628 1.821 20 0 JDADMO C[C@H](CNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885446 1070063962 /nfs/dbraw/zinc/06/39/62/1070063962.db2.gz HOHAIZYENYMBEW-ZRNYENFQSA-N 1 1 453.628 1.821 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502309276 1070065887 /nfs/dbraw/zinc/06/58/87/1070065887.db2.gz AXQKVFKLMZKDDS-GOSISDBHSA-N 1 1 455.673 1.336 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC001502309264 1070066285 /nfs/dbraw/zinc/06/62/85/1070066285.db2.gz ASWXHZKJWPGGMK-DYXWJJEUSA-N 1 1 497.710 1.167 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCOC4)n3C[C@@H](C)OC)CC2)CC1 ZINC001502309901 1070069276 /nfs/dbraw/zinc/06/92/76/1070069276.db2.gz OLOFRCJSJDNLJK-CTNGQTDRSA-N 1 1 462.639 1.978 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc[nH]4)n3CCCS(C)(=O)=O)CC2)CC1 ZINC001502310011 1070070060 /nfs/dbraw/zinc/07/00/60/1070070060.db2.gz QVPDCFXDSOLUOH-UHFFFAOYSA-N 1 1 491.662 1.479 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCOC4)n3CCC(=O)N(C)C)CC2)CC1 ZINC001502310180 1070070876 /nfs/dbraw/zinc/07/08/76/1070070876.db2.gz UHIRADAFGGVQMY-HXUWFJFHSA-N 1 1 475.638 1.031 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001502309505 1070067044 /nfs/dbraw/zinc/06/70/44/1070067044.db2.gz GMMBJABAVLSEGW-HXUWFJFHSA-N 1 1 454.623 1.785 20 0 JDADMO CNC(=O)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)Cc1ccc(C(F)(F)F)cc1 ZINC001478917323 1070067210 /nfs/dbraw/zinc/06/72/10/1070067210.db2.gz ULJWVIHTCKTTAI-UHOSZYNNSA-N 1 1 456.509 1.851 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(Cn4nc(C)cc4C)n3CC(C)(C)O)CC2)CC1 ZINC001502309638 1070067717 /nfs/dbraw/zinc/06/77/17/1070067717.db2.gz JZAOBOSRVHJAEX-UHFFFAOYSA-N 1 1 486.665 1.681 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2C)CC1 ZINC001502309655 1070068127 /nfs/dbraw/zinc/06/81/27/1070068127.db2.gz KGMQRNMSDQIRRO-UXHICEINSA-N 1 1 477.679 1.859 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2Cc3ccccc3[C@H]2C)CC1 ZINC001502309786 1070068236 /nfs/dbraw/zinc/06/82/36/1070068236.db2.gz MYNZOQWTGZAVBA-CEXWTWQISA-N 1 1 475.663 1.996 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310421 1070072984 /nfs/dbraw/zinc/07/29/84/1070072984.db2.gz ZEKNMXOIQPINPY-IAGOWNOFSA-N 1 1 499.632 1.829 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOCC2)CC1 ZINC001502310530 1070074272 /nfs/dbraw/zinc/07/42/72/1070074272.db2.gz AZWWXLPVHVHLSH-OAHLLOKOSA-N 1 1 452.401 1.898 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502310660 1070075148 /nfs/dbraw/zinc/07/51/48/1070075148.db2.gz DGKSTFBGONTNNA-SFHVURJKSA-N 1 1 496.081 1.706 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502310750 1070076060 /nfs/dbraw/zinc/07/60/60/1070076060.db2.gz FSSRGAAZSSXXGX-RTBURBONSA-N 1 1 485.633 1.690 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC001502310872 1070075550 /nfs/dbraw/zinc/07/55/50/1070075550.db2.gz IMHJWDQYCKWATG-WQMHRJNTSA-N 1 1 474.698 1.429 20 0 JDADMO CN(OCC(F)(F)F)C(=O)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC001479004548 1070079551 /nfs/dbraw/zinc/07/95/51/1070079551.db2.gz NBRUGJKNUJNOOO-MRXNPFEDSA-N 1 1 459.469 1.135 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC)CC1 ZINC001502310922 1070076226 /nfs/dbraw/zinc/07/62/26/1070076226.db2.gz JFFAODOGKQJKFG-QGZVFWFLSA-N 1 1 465.624 1.219 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC001502311708 1070080282 /nfs/dbraw/zinc/08/02/82/1070080282.db2.gz XWWDJILUQDEOSW-YPAWHYETSA-N 1 1 474.698 1.239 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502310925 1070077516 /nfs/dbraw/zinc/07/75/16/1070077516.db2.gz JGGSBGHYEFNMLD-IRXDYDNUSA-N 1 1 461.014 1.686 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502311736 1070080945 /nfs/dbraw/zinc/08/09/45/1070080945.db2.gz YPGPOBCRXHSBAG-RTBURBONSA-N 1 1 455.607 1.647 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCN(C(=O)Cc3ccccc3F)CC2)CC1 ZINC001502311717 1070081110 /nfs/dbraw/zinc/08/11/10/1070081110.db2.gz YAILUDNPJXTSKA-IBGZPJMESA-N 1 1 457.598 1.643 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502311842 1070081836 /nfs/dbraw/zinc/08/18/36/1070081836.db2.gz AABIUFPUCBNADE-QYZOEREBSA-N 1 1 490.653 1.359 20 0 JDADMO CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@@H]1CCO ZINC001479045772 1070082194 /nfs/dbraw/zinc/08/21/94/1070082194.db2.gz KNFXWIFZHSSNBH-IPMKNSEASA-N 1 1 452.596 1.643 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502312435 1070082968 /nfs/dbraw/zinc/08/29/68/1070082968.db2.gz MBQZFHBRBJNNKE-IBGZPJMESA-N 1 1 492.694 1.170 20 0 JDADMO C[C@@H]1C[N@H+](Cc2ccc(CN(C)C(=O)NCCCN3CCCS3(=O)=O)cc2)C[C@H](C)O1 ZINC001479075174 1070084866 /nfs/dbraw/zinc/08/48/66/1070084866.db2.gz HUESGPBHBMZMDC-KDURUIRLSA-N 1 1 452.621 1.863 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502312668 1070084916 /nfs/dbraw/zinc/08/49/16/1070084916.db2.gz PZDIHESHOKPFQH-WOJBJXKFSA-N 1 1 490.678 1.132 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001502312887 1070085006 /nfs/dbraw/zinc/08/50/06/1070085006.db2.gz UQVDZURAHFAMPC-ROUUACIJSA-N 1 1 483.587 1.777 20 0 JDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077457 1070085740 /nfs/dbraw/zinc/08/57/40/1070085740.db2.gz XUGOSTXASOZXJE-ROUUACIJSA-N 1 1 451.612 1.970 20 0 JDADMO CNS(=O)(=O)[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001479102606 1070088145 /nfs/dbraw/zinc/08/81/45/1070088145.db2.gz LVIFPBJZNRGOAS-XPWALMASSA-N 1 1 472.611 1.996 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502313367 1070088354 /nfs/dbraw/zinc/08/83/54/1070088354.db2.gz CTPWXHAUWJZPTN-VSKRKVRLSA-N 1 1 495.738 1.374 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502313556 1070089335 /nfs/dbraw/zinc/08/93/35/1070089335.db2.gz GMGVDWBMQVAOCG-LJQANCHMSA-N 1 1 473.597 1.922 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313554 1070088632 /nfs/dbraw/zinc/08/86/32/1070088632.db2.gz GLMFHHJYSKHZKO-RTBURBONSA-N 1 1 473.588 1.882 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502313689 1070090145 /nfs/dbraw/zinc/09/01/45/1070090145.db2.gz JCZIRFWILHVHNW-GOSISDBHSA-N 1 1 467.684 1.480 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502314122 1070090850 /nfs/dbraw/zinc/09/08/50/1070090850.db2.gz PZKAXHVYABBBRP-OALUTQOASA-N 1 1 457.598 1.701 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502313748 1070091359 /nfs/dbraw/zinc/09/13/59/1070091359.db2.gz KARBJXMPXQAMJY-REWPJTCUSA-N 1 1 499.660 1.245 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314429 1070093039 /nfs/dbraw/zinc/09/30/39/1070093039.db2.gz VIBCLALQYSDFPS-VQTJNVASSA-N 1 1 497.710 1.106 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502314373 1070093183 /nfs/dbraw/zinc/09/31/83/1070093183.db2.gz ULUXECCQBPBPKG-NRFANRHFSA-N 1 1 462.687 1.149 20 0 JDADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC001479146863 1070093695 /nfs/dbraw/zinc/09/36/95/1070093695.db2.gz OSGJITXEISNIEE-OAQYLSRUSA-N 1 1 452.621 1.699 20 0 JDADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC001479146863 1070093715 /nfs/dbraw/zinc/09/37/15/1070093715.db2.gz OSGJITXEISNIEE-OAQYLSRUSA-N 1 1 452.621 1.699 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502314974 1070096512 /nfs/dbraw/zinc/09/65/12/1070096512.db2.gz DYBDXTJWIQULBO-LJQANCHMSA-N 1 1 480.583 1.974 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001502314972 1070096923 /nfs/dbraw/zinc/09/69/23/1070096923.db2.gz DWXPBBSFSQTFEC-OAQYLSRUSA-N 1 1 482.677 1.985 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502314975 1070097078 /nfs/dbraw/zinc/09/70/78/1070097078.db2.gz DYWYAXHZGZCHKN-HKUYNNGSSA-N 1 1 474.679 1.622 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502315093 1070098062 /nfs/dbraw/zinc/09/80/62/1070098062.db2.gz HDUXUFFAPDTLEE-QPPBQGQZSA-N 1 1 483.661 1.431 20 0 JDADMO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479178375 1070099636 /nfs/dbraw/zinc/09/96/36/1070099636.db2.gz UEVDLUZLGIPPAF-RTBURBONSA-N 1 1 455.397 1.578 20 0 JDADMO CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC001479189516 1070103617 /nfs/dbraw/zinc/10/36/17/1070103617.db2.gz OFNJRKFPFLXBNZ-OALUTQOASA-N 1 1 452.621 1.419 20 0 JDADMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)nc1 ZINC001479178040 1070099805 /nfs/dbraw/zinc/09/98/05/1070099805.db2.gz PLOZICRZAJERHX-NHCUHLMSSA-N 1 1 458.607 1.547 20 0 JDADMO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001479178389 1070100071 /nfs/dbraw/zinc/10/00/71/1070100071.db2.gz UWKVUCUWWPYDMK-HXUWFJFHSA-N 1 1 453.578 1.835 20 0 JDADMO CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001479189520 1070103787 /nfs/dbraw/zinc/10/37/87/1070103787.db2.gz OFNJRKFPFLXBNZ-RTBURBONSA-N 1 1 452.621 1.419 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001502315449 1070100326 /nfs/dbraw/zinc/10/03/26/1070100326.db2.gz ODKAQYHTQHVORH-LEWJYISDSA-N 1 1 461.655 1.678 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001502315394 1070100429 /nfs/dbraw/zinc/10/04/29/1070100429.db2.gz NEKGVYAECMIWSO-IRLDBZIGSA-N 1 1 468.650 1.642 20 0 JDADMO O=C(NC[C@@H](O)c1cccc(Br)c1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479178374 1070100359 /nfs/dbraw/zinc/10/03/59/1070100359.db2.gz UEVDLUZLGIPPAF-RBUKOAKNSA-N 1 1 455.397 1.578 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001502315450 1070100484 /nfs/dbraw/zinc/10/04/84/1070100484.db2.gz ODKAQYHTQHVORH-NHCUHLMSSA-N 1 1 461.655 1.678 20 0 JDADMO CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC001479189518 1070103921 /nfs/dbraw/zinc/10/39/21/1070103921.db2.gz OFNJRKFPFLXBNZ-RBUKOAKNSA-N 1 1 452.621 1.419 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502315629 1070104630 /nfs/dbraw/zinc/10/46/30/1070104630.db2.gz RMIPDEAWRVCPJV-VQTJNVASSA-N 1 1 455.607 1.237 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502315821 1070106356 /nfs/dbraw/zinc/10/63/56/1070106356.db2.gz VHZJAXFNZVQKIL-HKUYNNGSSA-N 1 1 474.679 1.752 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502315927 1070108094 /nfs/dbraw/zinc/10/80/94/1070108094.db2.gz WTGPVMMPGHRNPZ-CTNGQTDRSA-N 1 1 454.623 1.382 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315929 1070108693 /nfs/dbraw/zinc/10/86/93/1070108693.db2.gz WTGPVMMPGHRNPZ-PZJWPPBQSA-N 1 1 454.623 1.382 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502316081 1070109960 /nfs/dbraw/zinc/10/99/60/1070109960.db2.gz YZIMFFQQZWPRKH-LVCYWYKZSA-N 1 1 477.679 1.900 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001502315966 1070109981 /nfs/dbraw/zinc/10/99/81/1070109981.db2.gz XHFAUBDYDTUAFZ-QGZVFWFLSA-N 1 1 460.652 1.828 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502316079 1070110097 /nfs/dbraw/zinc/11/00/97/1070110097.db2.gz YZIMFFQQZWPRKH-DBXWQHBBSA-N 1 1 477.679 1.900 20 0 JDADMO COCCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001479262380 1070113258 /nfs/dbraw/zinc/11/32/58/1070113258.db2.gz WTHODVOCSVTFEQ-HXUWFJFHSA-N 1 1 453.605 1.513 20 0 JDADMO 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CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@H]1C ZINC001502317423 1070121002 /nfs/dbraw/zinc/12/10/02/1070121002.db2.gz GXZWEAHGTWEVRQ-QGZVFWFLSA-N 1 1 459.570 1.824 20 0 JDADMO Cc1ccc(NCCNC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)[nH+]c1 ZINC001479291442 1070121827 /nfs/dbraw/zinc/12/18/27/1070121827.db2.gz OPLXNKLNLINDIY-MRXNPFEDSA-N 1 1 455.581 1.525 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccc(C)c(F)c2)C[C@@H]1C ZINC001502317422 1070121983 /nfs/dbraw/zinc/12/19/83/1070121983.db2.gz GXZWEAHGTWEVRQ-KRWDZBQOSA-N 1 1 459.570 1.824 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N3CCOCC3)c2)C[C@@H]1C ZINC001502317464 1070122199 /nfs/dbraw/zinc/12/21/99/1070122199.db2.gz HZKHKGPIZQJIGU-IBGZPJMESA-N 1 1 455.607 1.832 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C[C@H]1C ZINC001502317636 1070122240 /nfs/dbraw/zinc/12/22/40/1070122240.db2.gz KUAVJFLSMHTPQV-CEXWTWQISA-N 1 1 481.667 1.151 20 0 JDADMO 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CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C[C@@H]1C ZINC001502332080 1070169661 /nfs/dbraw/zinc/16/96/61/1070169661.db2.gz CTDPQQRHCZBYEF-IPMKNSEASA-N 1 1 483.679 1.667 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C[C@H]1C ZINC001502332079 1070169753 /nfs/dbraw/zinc/16/97/53/1070169753.db2.gz CTDPQQRHCZBYEF-GUDVDZBRSA-N 1 1 483.679 1.667 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3ccc(C)nc3)C2)CC1 ZINC001502333282 1070175803 /nfs/dbraw/zinc/17/58/03/1070175803.db2.gz FNZBXMYEGYPWDT-RBBKRZOGSA-N 1 1 457.623 1.970 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2nncn2C)C[C@@H]1C ZINC001502332931 1070172870 /nfs/dbraw/zinc/17/28/70/1070172870.db2.gz WEGDJCYGSNTIJN-YESZJQIVSA-N 1 1 459.599 1.756 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(CC)CCOCC3)C2)CC1 ZINC001502333492 1070177533 /nfs/dbraw/zinc/17/75/33/1070177533.db2.gz KGRLMHCTQJKVGG-UXHICEINSA-N 1 1 497.710 1.311 20 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CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCc3ccsc3)C2)CC1 ZINC001502333758 1070181715 /nfs/dbraw/zinc/18/17/15/1070181715.db2.gz QFUCRKWTSGZSDY-HKUYNNGSSA-N 1 1 481.692 1.409 20 0 JDADMO Cc1noc(C)c1CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001492999256 1070183700 /nfs/dbraw/zinc/18/37/00/1070183700.db2.gz WKJFGZXPXSSOBW-IBGZPJMESA-N 1 1 472.594 1.007 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCCN(C)CC(F)(F)F)C2)CC1 ZINC001502334418 1070184705 /nfs/dbraw/zinc/18/47/05/1070184705.db2.gz HSXSJSXCGWXVSB-SFHVURJKSA-N 1 1 481.571 1.836 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC[C@H](OC)C(F)(F)F)C2)CC1 ZINC001502334568 1070186381 /nfs/dbraw/zinc/18/63/81/1070186381.db2.gz KXGCGKOYUIGMLK-IKGGRYGDSA-N 1 1 473.544 1.413 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCCNC(=O)C(C)C)C2)CC1 ZINC001502334506 1070186609 /nfs/dbraw/zinc/18/66/09/1070186609.db2.gz JPVBALZPIAVYSY-NHCUHLMSSA-N 1 1 461.655 1.898 20 0 JDADMO 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CCN1CCN(C2CCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)C(C)C)CC2)C1=O ZINC001502335216 1070194661 /nfs/dbraw/zinc/19/46/61/1070194661.db2.gz CVJHRZFFHVUDBB-GOSISDBHSA-N 1 1 481.667 1.247 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@@H](COC)OC)C2)CC1 ZINC001502335618 1070198187 /nfs/dbraw/zinc/19/81/87/1070198187.db2.gz MVQABERPQRPQAJ-SFTDATJTSA-N 1 1 460.627 1.017 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001502335500 1070195475 /nfs/dbraw/zinc/19/54/75/1070195475.db2.gz KLIZTSZPVIPCQI-XUZZJYLKSA-N 1 1 458.655 1.763 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@@](C)(O)C(C)C)C2)CC1 ZINC001502335501 1070196198 /nfs/dbraw/zinc/19/61/98/1070196198.db2.gz KLIZTSZPVIPCQI-ZJSXRUAMSA-N 1 1 458.655 1.763 20 0 JDADMO CCN1CCN(C2CCN(c3nnc(CN4CCCC4=O)n3CC[N@@H+](C)C(C)C)CC2)C1=O ZINC001502335708 1070197782 /nfs/dbraw/zinc/19/77/82/1070197782.db2.gz OLVZSEUJVLRJLE-UHFFFAOYSA-N 1 1 460.627 1.467 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CCC(=O)NC)C2)CC1 ZINC001502335624 1070197812 /nfs/dbraw/zinc/19/78/12/1070197812.db2.gz MYAKJRICKLGITA-QFIPXVFZSA-N 1 1 453.635 1.806 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCN(C)CC(F)(F)F)C2)CC1 ZINC001502335782 1070197887 /nfs/dbraw/zinc/19/78/87/1070197887.db2.gz QRUOBVYGPWMHPF-MOPGFXCFSA-N 1 1 473.588 1.882 20 0 JDADMO Cc1noc(C2(C)CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001493068654 1070199388 /nfs/dbraw/zinc/19/93/88/1070199388.db2.gz GRPNREGAJDXOPX-HOTGVXAUSA-N 1 1 480.639 1.622 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001502336072 1070199451 /nfs/dbraw/zinc/19/94/51/1070199451.db2.gz VAWQRNDQKQUJSQ-WOJBJXKFSA-N 1 1 461.655 1.678 20 0 JDADMO Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCOCC3)CC2)n1 ZINC001493069124 1070200382 /nfs/dbraw/zinc/20/03/82/1070200382.db2.gz QNSMXGTWBVXSNG-KRWDZBQOSA-N 1 1 474.610 1.634 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(C(N)=O)CCOCC3)C2)CC1 ZINC001502336303 1070201328 /nfs/dbraw/zinc/20/13/28/1070201328.db2.gz XQFYAAUWSKVLIN-LJQANCHMSA-N 1 1 461.655 1.365 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4C[C@@H](NC(=O)OC(C)(C)C)C4)n3CCOC)C2)CC1 ZINC001502337212 1070201937 /nfs/dbraw/zinc/20/19/37/1070201937.db2.gz DFWUZNQTSDAENP-ZCNNSNEGSA-N 1 1 477.654 1.911 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC001502337208 1070202241 /nfs/dbraw/zinc/20/22/41/1070202241.db2.gz DDOLFCXEUVIPFU-UPUUWEMXSA-N 1 1 491.681 1.463 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCC(=O)NC)C2)CC1 ZINC001502337223 1070202394 /nfs/dbraw/zinc/20/23/94/1070202394.db2.gz DLLXPZIWKOEOEY-QKNQBKEWSA-N 1 1 461.655 1.549 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502337165 1070202488 /nfs/dbraw/zinc/20/24/88/1070202488.db2.gz BXMWJCJIJFEPMW-OAQYLSRUSA-N 1 1 471.654 1.128 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337441 1070204040 /nfs/dbraw/zinc/20/40/40/1070204040.db2.gz IAGXNHFEZYOEOV-IBGZPJMESA-N 1 1 457.627 1.262 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(NC(=O)c3cc(C)on3)CC2)CC1 ZINC001502337353 1070204122 /nfs/dbraw/zinc/20/41/22/1070204122.db2.gz GXVVHWNGRCQVQW-QGZVFWFLSA-N 1 1 458.611 1.555 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001502337485 1070204962 /nfs/dbraw/zinc/20/49/62/1070204962.db2.gz IXJHQHMECZDYFF-NNMXDRDESA-N 1 1 485.699 1.167 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001502337575 1070205210 /nfs/dbraw/zinc/20/52/10/1070205210.db2.gz KSNDVAUYECTKBS-UXHICEINSA-N 1 1 490.653 1.065 20 0 JDADMO Cc1noc([C@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493100892 1070205549 /nfs/dbraw/zinc/20/55/49/1070205549.db2.gz MZXJIJJKDLRDGZ-HOCLYGCPSA-N 1 1 454.601 1.304 20 0 JDADMO Cc1noc([C@@H]2CCCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493100887 1070205873 /nfs/dbraw/zinc/20/58/73/1070205873.db2.gz MZXJIJJKDLRDGZ-GDBMZVCRSA-N 1 1 454.601 1.304 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)CC1 ZINC001502337458 1070206230 /nfs/dbraw/zinc/20/62/30/1070206230.db2.gz IFGNBXJBWZATRG-IRLDBZIGSA-N 1 1 475.682 1.943 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502337628 1070208030 /nfs/dbraw/zinc/20/80/30/1070208030.db2.gz LMPBYCMTTCVPGZ-FQEVSTJZSA-N 1 1 488.681 1.140 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCC[C@@H]32)CC1 ZINC001502337658 1070208116 /nfs/dbraw/zinc/20/81/16/1070208116.db2.gz MBOOAZOHZZSUDW-HAGHYFMRSA-N 1 1 467.684 1.541 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3C[C@@H](C)COC)C2)CC1 ZINC001502337589 1070208445 /nfs/dbraw/zinc/20/84/45/1070208445.db2.gz KUFSICXUKYWCOZ-RTBURBONSA-N 1 1 475.663 1.768 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC=C(C)CC2)CC1 ZINC001502337755 1070209913 /nfs/dbraw/zinc/20/99/13/1070209913.db2.gz NKCDKWQQFBMBNK-OALUTQOASA-N 1 1 453.657 1.318 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001502338232 1070210695 /nfs/dbraw/zinc/21/06/95/1070210695.db2.gz SPQMFVPTPSBOAE-MZKRTTBSSA-N 1 1 499.726 1.557 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)CC1 ZINC001502337835 1070212062 /nfs/dbraw/zinc/21/20/62/1070212062.db2.gz OXNFSQYRIBLTDX-RBUKOAKNSA-N 1 1 467.684 1.542 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338066 1070212169 /nfs/dbraw/zinc/21/21/69/1070212169.db2.gz RIYPRCXOUJZROQ-RTWAWAEBSA-N 1 1 481.711 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC3(CC3)C2)CC1 ZINC001502337836 1070212483 /nfs/dbraw/zinc/21/24/83/1070212483.db2.gz OXNFSQYRIBLTDX-RTBURBONSA-N 1 1 467.684 1.542 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001502338229 1070212606 /nfs/dbraw/zinc/21/26/06/1070212606.db2.gz SPQMFVPTPSBOAE-JTAQYXEDSA-N 1 1 499.726 1.557 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001502338443 1070213048 /nfs/dbraw/zinc/21/30/48/1070213048.db2.gz WFMYTHZGVRAACE-RBUKOAKNSA-N 1 1 499.726 1.556 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502338318 1070213968 /nfs/dbraw/zinc/21/39/68/1070213968.db2.gz UXPHDDYKEMRLGK-GOSISDBHSA-N 1 1 459.643 1.368 20 0 JDADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CC[NH+](CC)CC1 ZINC001502338371 1070214244 /nfs/dbraw/zinc/21/42/44/1070214244.db2.gz VOPYPOXXGIYCGS-HXUWFJFHSA-N 1 1 471.654 1.548 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)CC2COC(C)(C)OC2)CC1 ZINC001502338276 1070214344 /nfs/dbraw/zinc/21/43/44/1070214344.db2.gz UDZLBQCPUVQWRZ-IBGZPJMESA-N 1 1 479.670 1.525 20 0 JDADMO CCN(C1CCN(c2nnc(C)n2C[C@H](C)CN2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC001502338790 1070217170 /nfs/dbraw/zinc/21/71/70/1070217170.db2.gz ZTTCKQKBNOHPBC-GOSISDBHSA-N 1 1 455.673 1.110 20 0 JDADMO Cc1cc(CN2CCN(c3nnc(C(=O)NC(C)C)n3CCCC[NH+]3CCOCC3)CC2)on1 ZINC001493153637 1070217436 /nfs/dbraw/zinc/21/74/36/1070217436.db2.gz QKSZIJYFTJLTDV-UHFFFAOYSA-N 1 1 474.610 1.147 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001502338357 1070213800 /nfs/dbraw/zinc/21/38/00/1070213800.db2.gz VNMAFIFIPNSCMY-FIXSFTCYSA-N 1 1 488.725 1.677 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502339653 1070219552 /nfs/dbraw/zinc/21/95/52/1070219552.db2.gz BIBVOVODXLCCGK-UNMCSNQZSA-N 1 1 468.650 1.918 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502340450 1070220524 /nfs/dbraw/zinc/22/05/24/1070220524.db2.gz GMIHEVHBTZZGSK-GOSISDBHSA-N 1 1 456.595 1.398 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001546278026 1070220748 /nfs/dbraw/zinc/22/07/48/1070220748.db2.gz UAZZEVYKFKDJAG-IEGUWTFLSA-N 1 1 479.647 1.744 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546278026 1070220783 /nfs/dbraw/zinc/22/07/83/1070220783.db2.gz UAZZEVYKFKDJAG-IEGUWTFLSA-N 1 1 479.647 1.744 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCS(=O)CC2)CC1 ZINC001502341369 1070226761 /nfs/dbraw/zinc/22/67/61/1070226761.db2.gz UWFWVDXGVUUWFR-IBGZPJMESA-N 1 1 490.674 1.805 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502341121 1070224318 /nfs/dbraw/zinc/22/43/18/1070224318.db2.gz OIKDEHLMUIDLIL-PCCBWWKXSA-N 1 1 457.623 1.854 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502341305 1070225032 /nfs/dbraw/zinc/22/50/32/1070225032.db2.gz SOSDMEKASRDSOG-MSOLQXFVSA-N 1 1 475.041 1.934 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342869 1070231468 /nfs/dbraw/zinc/23/14/68/1070231468.db2.gz FXIPNTFAVIXZNX-FXAWDEMLSA-N 1 1 457.627 1.181 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502343059 1070232339 /nfs/dbraw/zinc/23/23/39/1070232339.db2.gz JCBAAHCMZIKRGG-IBGZPJMESA-N 1 1 462.639 1.850 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343106 1070233528 /nfs/dbraw/zinc/23/35/28/1070233528.db2.gz JRQIAJOIBWLJAO-SFTDATJTSA-N 1 1 488.681 1.198 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502343262 1070236571 /nfs/dbraw/zinc/23/65/71/1070236571.db2.gz MEYUDBZYPMJWIY-HXUWFJFHSA-N 1 1 471.625 1.950 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343309 1070236695 /nfs/dbraw/zinc/23/66/95/1070236695.db2.gz MYWPPNAMNODZGN-PZJWPPBQSA-N 1 1 482.695 1.807 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343493 1070238495 /nfs/dbraw/zinc/23/84/95/1070238495.db2.gz PLNRDCBCBXKTIN-VQTJNVASSA-N 1 1 471.625 1.949 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502343402 1070239136 /nfs/dbraw/zinc/23/91/36/1070239136.db2.gz OLMMKWPHMOZUQT-FPOVZHCZSA-N 1 1 463.671 1.482 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502343491 1070239273 /nfs/dbraw/zinc/23/92/73/1070239273.db2.gz PLNRDCBCBXKTIN-PMACEKPBSA-N 1 1 471.625 1.949 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493181665 1070239990 /nfs/dbraw/zinc/23/99/90/1070239990.db2.gz YZBVNQDIMGCYAV-GUDVDZBRSA-N 1 1 461.611 1.129 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502343720 1070240523 /nfs/dbraw/zinc/24/05/23/1070240523.db2.gz SPQJSYMKBLBWHD-FPOVZHCZSA-N 1 1 461.655 1.538 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502343719 1070241777 /nfs/dbraw/zinc/24/17/77/1070241777.db2.gz SPQJSYMKBLBWHD-CTNGQTDRSA-N 1 1 461.655 1.538 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493182533 1070241804 /nfs/dbraw/zinc/24/18/04/1070241804.db2.gz DPCJRAMSROJIRE-MZNJEOGPSA-N 1 1 491.637 1.126 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493186654 1070246047 /nfs/dbraw/zinc/24/60/47/1070246047.db2.gz TVRAQEAYRFXZCJ-SFHVURJKSA-N 1 1 457.598 1.701 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493186654 1070246097 /nfs/dbraw/zinc/24/60/97/1070246097.db2.gz TVRAQEAYRFXZCJ-SFHVURJKSA-N 1 1 457.598 1.701 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502343853 1070246388 /nfs/dbraw/zinc/24/63/88/1070246388.db2.gz VUFHXEJOSLPEJY-QUCCMNQESA-N 1 1 457.598 1.593 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343877 1070246880 /nfs/dbraw/zinc/24/68/80/1070246880.db2.gz WBYJVDOQZZBPRQ-FCHUYYIVSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C(=O)NC)CC1 ZINC001502343825 1070247166 /nfs/dbraw/zinc/24/71/66/1070247166.db2.gz VFXLSQBBSBAKTH-RBUKOAKNSA-N 1 1 456.639 1.740 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C3CCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502343876 1070245373 /nfs/dbraw/zinc/24/53/73/1070245373.db2.gz VZJUEWPBISUKFF-LJQANCHMSA-N 1 1 481.711 1.679 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001493186654 1070246010 /nfs/dbraw/zinc/24/60/10/1070246010.db2.gz TVRAQEAYRFXZCJ-SFHVURJKSA-N 1 1 457.598 1.701 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493190551 1070249935 /nfs/dbraw/zinc/24/99/35/1070249935.db2.gz CAOHPDGCOZFHQK-MOPGFXCFSA-N 1 1 474.581 1.900 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502345564 1070251081 /nfs/dbraw/zinc/25/10/81/1070251081.db2.gz CIQYMQHHOTVIPS-PMACEKPBSA-N 1 1 487.624 1.937 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345922 1070251930 /nfs/dbraw/zinc/25/19/30/1070251930.db2.gz HPFSIZHMTRGWQP-QGZVFWFLSA-N 1 1 465.693 1.476 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345619 1070253090 /nfs/dbraw/zinc/25/30/90/1070253090.db2.gz DLWHQFVRWUQIHY-OAQYLSRUSA-N 1 1 469.634 1.452 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502345587 1070253241 /nfs/dbraw/zinc/25/32/41/1070253241.db2.gz CPTZTSIACOXCFU-UZUQRXQVSA-N 1 1 474.679 1.609 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345918 1070253330 /nfs/dbraw/zinc/25/33/30/1070253330.db2.gz HPFSIZHMTRGWQP-KRWDZBQOSA-N 1 1 465.693 1.476 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001502346196 1070254148 /nfs/dbraw/zinc/25/41/48/1070254148.db2.gz JQQKMWJAORJCCV-YKSBVNFPSA-N 1 1 461.655 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502346003 1070254964 /nfs/dbraw/zinc/25/49/64/1070254964.db2.gz IEKWLSHHDKIWGH-MOPGFXCFSA-N 1 1 459.664 1.871 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001502346193 1070255368 /nfs/dbraw/zinc/25/53/68/1070255368.db2.gz JQQKMWJAORJCCV-GBXCKJPGSA-N 1 1 461.655 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001502346452 1070256707 /nfs/dbraw/zinc/25/67/07/1070256707.db2.gz LNQLOVHWSFENGF-MHTWAQMVSA-N 1 1 450.628 1.501 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502346269 1070256981 /nfs/dbraw/zinc/25/69/81/1070256981.db2.gz KFCMRUQYWSDBKF-FPOVZHCZSA-N 1 1 461.655 1.236 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204002 1070257635 /nfs/dbraw/zinc/25/76/35/1070257635.db2.gz NPAMDDBRPRMPBW-HSALFYBXSA-N 1 1 461.655 1.694 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502346888 1070257978 /nfs/dbraw/zinc/25/79/78/1070257978.db2.gz PRGYLPWTHDUWED-SFHVURJKSA-N 1 1 490.678 1.796 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001502347171 1070262904 /nfs/dbraw/zinc/26/29/04/1070262904.db2.gz VSYCDQOZLDDNAC-UHFFFAOYSA-N 1 1 457.627 1.302 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493211146 1070259603 /nfs/dbraw/zinc/25/96/03/1070259603.db2.gz BEIXVCFDGMWONQ-XMTFNYHQSA-N 1 1 468.668 1.855 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001502347198 1070263076 /nfs/dbraw/zinc/26/30/76/1070263076.db2.gz WDCQYSMRTBSNSZ-RTWAWAEBSA-N 1 1 475.682 1.925 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493206469 1070260616 /nfs/dbraw/zinc/26/06/16/1070260616.db2.gz WGNZFOPGFAIGQI-CEXWTWQISA-N 1 1 459.639 1.938 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346959 1070261183 /nfs/dbraw/zinc/26/11/83/1070261183.db2.gz QWBJCPAXBPYWIV-HXUWFJFHSA-N 1 1 485.633 1.466 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502347207 1070262625 /nfs/dbraw/zinc/26/26/25/1070262625.db2.gz WEEDKBAVAJYTCM-YADARESESA-N 1 1 454.623 1.239 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502347237 1070262716 /nfs/dbraw/zinc/26/27/16/1070262716.db2.gz WUMSLVVCIXEZAB-ILWGZMRPSA-N 1 1 457.623 1.388 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263796 1070268086 /nfs/dbraw/zinc/26/80/86/1070268086.db2.gz AHUXKTUAZORSEO-HCXYKTFWSA-N 1 1 461.611 1.719 20 0 JDADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493221672 1070264356 /nfs/dbraw/zinc/26/43/56/1070264356.db2.gz ZUMVTJJWGGINMN-RDGPPVDQSA-N 1 1 456.657 1.727 20 0 JDADMO CC(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493249232 1070266902 /nfs/dbraw/zinc/26/69/02/1070266902.db2.gz VZUXRWKSYFKQPU-MHTWAQMVSA-N 1 1 498.694 1.450 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)CC1 ZINC001502350983 1070268402 /nfs/dbraw/zinc/26/84/02/1070268402.db2.gz IEHRQCMWSUZQRZ-HXUWFJFHSA-N 1 1 497.710 1.408 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)C2)CC1 ZINC001502349365 1070267199 /nfs/dbraw/zinc/26/71/99/1070267199.db2.gz VQOQBSHANNEEPK-INIZCTEOSA-N 1 1 463.599 1.151 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCCOCC2)CC1 ZINC001502349423 1070267564 /nfs/dbraw/zinc/26/75/64/1070267564.db2.gz XUARWFBIAXFODU-UHFFFAOYSA-N 1 1 490.674 1.993 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CC(=O)N(C)[C@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502352572 1070273056 /nfs/dbraw/zinc/27/30/56/1070273056.db2.gz HLSPSYLRPSYELE-BWKNWUBXSA-N 1 1 491.681 1.403 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)CC1 ZINC001502350982 1070268951 /nfs/dbraw/zinc/26/89/51/1070268951.db2.gz IEHRQCMWSUZQRZ-FQEVSTJZSA-N 1 1 497.710 1.408 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267803 1070273161 /nfs/dbraw/zinc/27/31/61/1070273161.db2.gz XPKRHDNWQOHDOE-CEXWTWQISA-N 1 1 468.668 1.751 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C)C2)CC1 ZINC001502349478 1070269217 /nfs/dbraw/zinc/26/92/17/1070269217.db2.gz ZUVVYNYWYXLDRO-LJQANCHMSA-N 1 1 456.595 1.568 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264738 1070269601 /nfs/dbraw/zinc/26/96/01/1070269601.db2.gz VBTGXDNEPOIDRK-FCGDIQPGSA-N 1 1 483.683 1.313 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493264724 1070269709 /nfs/dbraw/zinc/26/97/09/1070269709.db2.gz VBJLLVQDBZYHFB-KDURUIRLSA-N 1 1 478.667 1.518 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502351130 1070270511 /nfs/dbraw/zinc/27/05/11/1070270511.db2.gz LXWFKZPJMBPDOB-NRFANRHFSA-N 1 1 456.639 1.996 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 ZINC001493265880 1070270864 /nfs/dbraw/zinc/27/08/64/1070270864.db2.gz ZRLMYICUOIIIQN-HSALFYBXSA-N 1 1 459.639 1.939 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502351061 1070270732 /nfs/dbraw/zinc/27/07/32/1070270732.db2.gz KQJRMZRKCSHEQC-FQEVSTJZSA-N 1 1 454.623 1.733 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502351227 1070270819 /nfs/dbraw/zinc/27/08/19/1070270819.db2.gz OSOTWXXZOFUKPI-OAQYLSRUSA-N 1 1 461.655 1.504 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001493265866 1070271175 /nfs/dbraw/zinc/27/11/75/1070271175.db2.gz LMEYUKOJYSKDBR-NXMSCROESA-N 1 1 468.606 1.995 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502351280 1070271462 /nfs/dbraw/zinc/27/14/62/1070271462.db2.gz RAQYNDSLPQYYBF-UHFFFAOYSA-N 1 1 457.598 1.752 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267571 1070272090 /nfs/dbraw/zinc/27/20/90/1070272090.db2.gz XFROJAGXWUIFRX-ZSYWTGECSA-N 1 1 483.683 1.348 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cnn(C)c2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268201 1070273441 /nfs/dbraw/zinc/27/34/41/1070273441.db2.gz YMOALIPRRFKQGI-FGTMMUONSA-N 1 1 466.656 1.626 20 0 JDADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)N2CCCC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267808 1070273625 /nfs/dbraw/zinc/27/36/25/1070273625.db2.gz XPKRHDNWQOHDOE-OTWHNJEPSA-N 1 1 468.668 1.751 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502352607 1070274585 /nfs/dbraw/zinc/27/45/85/1070274585.db2.gz IPLPQHLJRUFXMZ-RTBURBONSA-N 1 1 454.641 1.171 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502352618 1070275130 /nfs/dbraw/zinc/27/51/30/1070275130.db2.gz IYITZRKIEMOXQY-XMMPIXPASA-N 1 1 477.654 1.218 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCOC[C@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502352757 1070276158 /nfs/dbraw/zinc/27/61/58/1070276158.db2.gz NCJGVXNVCXASNW-ZJSXRUAMSA-N 1 1 464.655 1.962 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC001502352975 1070277973 /nfs/dbraw/zinc/27/79/73/1070277973.db2.gz UGZVVABTGSXTJL-UHFFFAOYSA-N 1 1 487.653 1.486 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C)c3ccccc3C2)CC1 ZINC001502352793 1070276885 /nfs/dbraw/zinc/27/68/85/1070276885.db2.gz OCIBNJLAHRBANN-UHFFFAOYSA-N 1 1 468.650 1.900 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502352784 1070277124 /nfs/dbraw/zinc/27/71/24/1070277124.db2.gz NWXBQAQWOLDONU-IBGZPJMESA-N 1 1 483.621 1.010 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502353002 1070278418 /nfs/dbraw/zinc/27/84/18/1070278418.db2.gz VEIMHYSPFXAHKA-PCCBWWKXSA-N 1 1 450.628 1.787 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](O)(c3ccccc3F)C2)CC1 ZINC001502353036 1070279189 /nfs/dbraw/zinc/27/91/89/1070279189.db2.gz WKBKOQQWOZOLTE-RUZDIDTESA-N 1 1 487.624 1.681 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502353049 1070280015 /nfs/dbraw/zinc/28/00/15/1070280015.db2.gz WTQIBJTUCVXVDT-HXUWFJFHSA-N 1 1 454.623 1.349 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502354151 1070280255 /nfs/dbraw/zinc/28/02/55/1070280255.db2.gz ATKSNMYRJLASJG-FQEVSTJZSA-N 1 1 499.660 1.952 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502354189 1070281156 /nfs/dbraw/zinc/28/11/56/1070281156.db2.gz BXPOTGYEBMWEAR-IBGZPJMESA-N 1 1 473.597 1.863 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001502354437 1070282554 /nfs/dbraw/zinc/28/25/54/1070282554.db2.gz IZZDYKBRBQQPJE-KURKYZTESA-N 1 1 453.657 1.008 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001502354930 1070284865 /nfs/dbraw/zinc/28/48/65/1070284865.db2.gz QGXOMBILCFOOEF-BZSNNMDCSA-N 1 1 473.713 1.246 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358186 1070292901 /nfs/dbraw/zinc/29/29/01/1070292901.db2.gz IQMTUSMZUMMHLV-NHCUHLMSSA-N 1 1 497.710 1.313 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001493313599 1070288785 /nfs/dbraw/zinc/28/87/85/1070288785.db2.gz OHNGIFXCGBHQPS-VXIBKDFQSA-N 1 1 454.641 1.766 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001502356075 1070289549 /nfs/dbraw/zinc/28/95/49/1070289549.db2.gz IJQBTIBIVPOHFW-UHFFFAOYSA-N 1 1 463.590 1.498 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502356691 1070291653 /nfs/dbraw/zinc/29/16/53/1070291653.db2.gz RLFLJVVJGYDQFE-FGTMMUONSA-N 1 1 453.582 1.984 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccn3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502356841 1070291974 /nfs/dbraw/zinc/29/19/74/1070291974.db2.gz SMZVLLBCUYCVOA-UHFFFAOYSA-N 1 1 490.678 1.133 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502357169 1070292117 /nfs/dbraw/zinc/29/21/17/1070292117.db2.gz YBCPPKRUCGJFLV-OAQYLSRUSA-N 1 1 454.623 1.672 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502357941 1070292839 /nfs/dbraw/zinc/29/28/39/1070292839.db2.gz GRGKIGGIDAUILA-IRLDBZIGSA-N 1 1 457.623 1.532 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502357886 1070293000 /nfs/dbraw/zinc/29/30/00/1070293000.db2.gz FHDUGKMXKODKAS-UHFFFAOYSA-N 1 1 468.650 1.644 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358187 1070293252 /nfs/dbraw/zinc/29/32/52/1070293252.db2.gz IQMTUSMZUMMHLV-RTWAWAEBSA-N 1 1 497.710 1.313 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001502358236 1070293310 /nfs/dbraw/zinc/29/33/10/1070293310.db2.gz JCGXRAJOVOYOLM-JOCHJYFZSA-N 1 1 490.697 1.194 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001502358466 1070294753 /nfs/dbraw/zinc/29/47/53/1070294753.db2.gz MHWQYQWXNNOGDN-QHCPKHFHSA-N 1 1 466.696 1.909 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCCC2)CC1 ZINC001502358587 1070295386 /nfs/dbraw/zinc/29/53/86/1070295386.db2.gz NWGQLKXUJSSQRY-OAQYLSRUSA-N 1 1 497.710 1.409 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502358741 1070295623 /nfs/dbraw/zinc/29/56/23/1070295623.db2.gz PTBPSDIWVPAWHD-AREMUKBSSA-N 1 1 483.661 1.868 20 0 JDADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001493342299 1070295943 /nfs/dbraw/zinc/29/59/43/1070295943.db2.gz PUIHKJJEFVUSPM-YZGWKJHDSA-N 1 1 474.631 1.763 20 0 JDADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001493342299 1070295967 /nfs/dbraw/zinc/29/59/67/1070295967.db2.gz PUIHKJJEFVUSPM-YZGWKJHDSA-N 1 1 474.631 1.763 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001502358561 1070296570 /nfs/dbraw/zinc/29/65/70/1070296570.db2.gz NJQBVDLQPGLQJQ-UHFFFAOYSA-N 1 1 462.593 1.679 20 0 JDADMO CC(C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001493437952 1070302498 /nfs/dbraw/zinc/30/24/98/1070302498.db2.gz PUWDDAKAZFYXJD-WHLIWEHUSA-N 1 1 496.722 1.582 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001502359132 1070298544 /nfs/dbraw/zinc/29/85/44/1070298544.db2.gz WSZPXFVGGUCZJS-SFTDATJTSA-N 1 1 497.710 1.121 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001502359195 1070299012 /nfs/dbraw/zinc/29/90/12/1070299012.db2.gz YERDAFPDPSREMI-NRFANRHFSA-N 1 1 477.654 1.724 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502359101 1070299193 /nfs/dbraw/zinc/29/91/93/1070299193.db2.gz VUVDWKFGDBPVIL-UHFFFAOYSA-N 1 1 487.624 1.331 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001502359130 1070299564 /nfs/dbraw/zinc/29/95/64/1070299564.db2.gz WSZPXFVGGUCZJS-NHCUHLMSSA-N 1 1 497.710 1.121 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001493421610 1070300103 /nfs/dbraw/zinc/30/01/03/1070300103.db2.gz RUIZLAIQJQQYFU-QRVBRYPASA-N 1 1 456.657 1.966 20 0 JDADMO 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COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504381819 1071114413 /nfs/dbraw/zinc/11/44/13/1071114413.db2.gz JGOZGWYYMNQPOU-QGZVFWFLSA-N 1 1 458.563 1.145 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504381819 1071114415 /nfs/dbraw/zinc/11/44/15/1071114415.db2.gz JGOZGWYYMNQPOU-QGZVFWFLSA-N 1 1 458.563 1.145 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001504387871 1071121537 /nfs/dbraw/zinc/12/15/37/1071121537.db2.gz KNUXOIRVUYJJDU-UHFFFAOYSA-N 1 1 483.617 1.565 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(C(C)=O)CC2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001504385382 1071118477 /nfs/dbraw/zinc/11/84/77/1071118477.db2.gz OGEJYSMSLNNTOI-NRFANRHFSA-N 1 1 483.617 1.565 20 0 JDADMO CCOCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503173791 1071120288 /nfs/dbraw/zinc/12/02/88/1071120288.db2.gz MQNHNYWSNNCHHN-RTBURBONSA-N 1 1 455.625 1.155 20 0 JDADMO CCOCCCCn1c(-c2cnccn2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001503174927 1071121322 /nfs/dbraw/zinc/12/13/22/1071121322.db2.gz ZPTLGBKFBYNDQP-UHFFFAOYSA-N 1 1 456.595 1.686 20 0 JDADMO CCOCCCCn1c(-c2cnccn2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001503174927 1071121323 /nfs/dbraw/zinc/12/13/23/1071121323.db2.gz ZPTLGBKFBYNDQP-UHFFFAOYSA-N 1 1 456.595 1.686 20 0 JDADMO COc1ccccc1-c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001504391698 1071128181 /nfs/dbraw/zinc/12/81/81/1071128181.db2.gz QSFKVYQKCMPRGV-IBGZPJMESA-N 1 1 472.590 1.406 20 0 JDADMO COc1ccccc1-c1nnc(N2CCO[C@@H](CNC(C)=O)C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001504391698 1071128186 /nfs/dbraw/zinc/12/81/86/1071128186.db2.gz QSFKVYQKCMPRGV-IBGZPJMESA-N 1 1 472.590 1.406 20 0 JDADMO CCOCCCNC(=O)C1CCN(c2nnc(C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC001503183979 1071132402 /nfs/dbraw/zinc/13/24/02/1071132402.db2.gz ANDSOSGQSTVAEU-HSZRJFAPSA-N 1 1 480.679 1.554 20 0 JDADMO COc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCc2[nH+]ccn2C1 ZINC001504397853 1071133364 /nfs/dbraw/zinc/13/33/64/1071133364.db2.gz CESDYCGQTRKIMR-QGZVFWFLSA-N 1 1 458.588 1.817 20 0 JDADMO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001503192543 1071138351 /nfs/dbraw/zinc/13/83/51/1071138351.db2.gz OXSDCBAESOGISG-SFHVURJKSA-N 1 1 498.675 1.204 20 0 JDADMO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCc2sccc2C1 ZINC001503192543 1071138363 /nfs/dbraw/zinc/13/83/63/1071138363.db2.gz OXSDCBAESOGISG-SFHVURJKSA-N 1 1 498.675 1.204 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001504406044 1071141410 /nfs/dbraw/zinc/14/14/10/1071141410.db2.gz FNPJQJMEIAZGJJ-NLFFAJNJSA-N 1 1 470.618 1.936 20 0 JDADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001503199955 1071143828 /nfs/dbraw/zinc/14/38/28/1071143828.db2.gz AERQIGZLZCUMGT-JKSUJKDBSA-N 1 1 456.638 1.870 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001504406952 1071145170 /nfs/dbraw/zinc/14/51/70/1071145170.db2.gz MZHFQIAADUMCCD-CYFREDJKSA-N 1 1 456.591 1.426 20 0 JDADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001503201335 1071145455 /nfs/dbraw/zinc/14/54/55/1071145455.db2.gz RRLFLIMWNJYOHX-INIZCTEOSA-N 1 1 454.572 1.386 20 0 JDADMO CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CCOC)[C@H](C)C1 ZINC001503201532 1071145713 /nfs/dbraw/zinc/14/57/13/1071145713.db2.gz CKICVKAFGNFFQH-QGZVFWFLSA-N 1 1 451.593 1.542 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001504407728 1071146718 /nfs/dbraw/zinc/14/67/18/1071146718.db2.gz SRKQVVYJQSUZTI-VQTJNVASSA-N 1 1 456.591 1.546 20 0 JDADMO CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001503208572 1071151310 /nfs/dbraw/zinc/15/13/10/1071151310.db2.gz PUXZZSHLHCDIKY-LJQANCHMSA-N 1 1 461.611 1.036 20 0 JDADMO CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC001503208571 1071151395 /nfs/dbraw/zinc/15/13/95/1071151395.db2.gz PUXZZSHLHCDIKY-IBGZPJMESA-N 1 1 461.611 1.036 20 0 JDADMO CCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503210582 1071155363 /nfs/dbraw/zinc/15/53/63/1071155363.db2.gz LFDSYKMQQZYTSH-JXFKEZNVSA-N 1 1 461.636 1.659 20 0 JDADMO CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503212755 1071159819 /nfs/dbraw/zinc/15/98/19/1071159819.db2.gz RPWSWFPRPZOMDQ-KRWDZBQOSA-N 1 1 475.619 1.049 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001503215001 1071163049 /nfs/dbraw/zinc/16/30/49/1071163049.db2.gz AFJFVBMSCJUEFX-VWLOTQADSA-N 1 1 470.618 1.970 20 0 JDADMO CCOCCn1c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503214687 1071162004 /nfs/dbraw/zinc/16/20/04/1071162004.db2.gz NTLJYZLJGIPKGG-QHCPKHFHSA-N 1 1 461.611 1.801 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001503214959 1071162223 /nfs/dbraw/zinc/16/22/23/1071162223.db2.gz PQMNXGLGDIQQTH-LJQANCHMSA-N 1 1 493.653 1.833 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)CC1 ZINC001503216193 1071165798 /nfs/dbraw/zinc/16/57/98/1071165798.db2.gz BFXLDIQGYAZRGB-CQSZACIVSA-N 1 1 450.556 1.092 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001503216240 1071166070 /nfs/dbraw/zinc/16/60/70/1071166070.db2.gz BVXURMBWEKSRKI-UHFFFAOYSA-N 1 1 498.049 1.697 20 0 JDADMO CCOCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001503216689 1071166183 /nfs/dbraw/zinc/16/61/83/1071166183.db2.gz PIWVCIODEVPLJC-FQEVSTJZSA-N 1 1 470.622 1.958 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 ZINC001503216951 1071166754 /nfs/dbraw/zinc/16/67/54/1071166754.db2.gz HUXZQWJXJAGIPB-MRXNPFEDSA-N 1 1 456.638 1.465 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(N(C)C)nc2)C[C@@H]1CC ZINC001503217397 1071166903 /nfs/dbraw/zinc/16/69/03/1071166903.db2.gz YFIGOAZSFVGZAO-NRFANRHFSA-N 1 1 484.649 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)CC1 ZINC001503217296 1071167125 /nfs/dbraw/zinc/16/71/25/1071167125.db2.gz MLHIOVZOUBNKDU-MRXNPFEDSA-N 1 1 454.597 1.305 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1CC ZINC001503217455 1071167137 /nfs/dbraw/zinc/16/71/37/1071167137.db2.gz ZDDVNTKMCXCRJT-MOPGFXCFSA-N 1 1 475.638 1.366 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1CC ZINC001503217458 1071167165 /nfs/dbraw/zinc/16/71/65/1071167165.db2.gz ZDDVNTKMCXCRJT-OALUTQOASA-N 1 1 475.638 1.366 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1CC ZINC001503217460 1071167219 /nfs/dbraw/zinc/16/72/19/1071167219.db2.gz ZDDVNTKMCXCRJT-RBUKOAKNSA-N 1 1 475.638 1.366 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001503217493 1071167975 /nfs/dbraw/zinc/16/79/75/1071167975.db2.gz PANAFLVIOPLQTD-WZONZLPQSA-N 1 1 463.554 1.867 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C3OCCO3)c2)CC1 ZINC001503217480 1071168058 /nfs/dbraw/zinc/16/80/58/1071168058.db2.gz ZMUPSBQWVGFCFE-UHFFFAOYSA-N 1 1 472.590 1.669 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001503217491 1071168141 /nfs/dbraw/zinc/16/81/41/1071168141.db2.gz PANAFLVIOPLQTD-MBSDFSHPSA-N 1 1 463.554 1.867 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001503217520 1071168300 /nfs/dbraw/zinc/16/83/00/1071168300.db2.gz PHERGFFLMMEKDF-HZPDHXFCSA-N 1 1 464.583 1.482 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)CC1 ZINC001503220263 1071174839 /nfs/dbraw/zinc/17/48/39/1071174839.db2.gz JQILSGVPCKBWEQ-UHFFFAOYSA-N 1 1 461.592 1.134 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)C(=O)NC)CC1 ZINC001503218474 1071170739 /nfs/dbraw/zinc/17/07/39/1071170739.db2.gz MBRIHCKVLNPZSP-UHFFFAOYSA-N 1 1 472.590 1.647 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001503218911 1071170788 /nfs/dbraw/zinc/17/07/88/1071170788.db2.gz TYAWXFQHYVOTPS-FQEVSTJZSA-N 1 1 476.647 1.694 20 0 JDADMO COc1ccccc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504418072 1071171080 /nfs/dbraw/zinc/17/10/80/1071171080.db2.gz XPQZEBORGYATHB-HSZRJFAPSA-N 1 1 451.531 1.637 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C[C@H]1CC ZINC001503220567 1071174550 /nfs/dbraw/zinc/17/45/50/1071174550.db2.gz LWWHPMSKDCQVOY-OAQYLSRUSA-N 1 1 474.654 1.727 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503220495 1071174726 /nfs/dbraw/zinc/17/47/26/1071174726.db2.gz LHRUGNFNXVGPQJ-MSOLQXFVSA-N 1 1 461.611 1.212 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001503219756 1071173380 /nfs/dbraw/zinc/17/33/80/1071173380.db2.gz FJZZDYXYRXSJML-UHFFFAOYSA-N 1 1 474.610 1.704 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(C(C)C)c(=O)c4ccccc43)n2CC(=O)N(C)C)CC1 ZINC001503219982 1071173533 /nfs/dbraw/zinc/17/35/33/1071173533.db2.gz HWEQNLCISDQOFM-UHFFFAOYSA-N 1 1 496.616 1.483 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)C[C@@H]1CC ZINC001503221567 1071177913 /nfs/dbraw/zinc/17/79/13/1071177913.db2.gz TUKYIWGEPQDEBW-LEWJYISDSA-N 1 1 456.591 1.707 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCCC2)CC1 ZINC001503221205 1071175996 /nfs/dbraw/zinc/17/59/96/1071175996.db2.gz AKUXZOWMNVKGNX-LJQANCHMSA-N 1 1 484.667 1.350 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@H](C)CC)CC1 ZINC001503221489 1071176627 /nfs/dbraw/zinc/17/66/27/1071176627.db2.gz SOWJYUDVVIFMPN-HXOBKFHXSA-N 1 1 462.595 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](F)COC)CC1 ZINC001503221212 1071176680 /nfs/dbraw/zinc/17/66/80/1071176680.db2.gz QNKDIWHBTSZEGK-KRWDZBQOSA-N 1 1 473.553 1.335 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001503221537 1071176803 /nfs/dbraw/zinc/17/68/03/1071176803.db2.gz CAGMADSZJILMLY-IBGZPJMESA-N 1 1 463.604 1.392 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001503221658 1071177862 /nfs/dbraw/zinc/17/78/62/1071177862.db2.gz CRWKQYBJQVRHNG-CYFREDJKSA-N 1 1 459.591 1.576 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1CC ZINC001503222196 1071180669 /nfs/dbraw/zinc/18/06/69/1071180669.db2.gz GDDCJSXVUYMDJL-XUVXKRRUSA-N 1 1 484.667 1.001 20 0 JDADMO CCOCCN1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1CC ZINC001503222112 1071181060 /nfs/dbraw/zinc/18/10/60/1071181060.db2.gz WYBHSHYMGNTYKR-HXUWFJFHSA-N 1 1 472.638 1.783 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001504424402 1071181086 /nfs/dbraw/zinc/18/10/86/1071181086.db2.gz PTYLLTQXLCURHX-UHFFFAOYSA-N 1 1 477.631 1.672 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N2CCOCC2)C[C@H]1CC ZINC001503222273 1071182559 /nfs/dbraw/zinc/18/25/59/1071182559.db2.gz YHHFQOBEUISQMW-HXUWFJFHSA-N 1 1 471.606 1.444 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001504424889 1071183217 /nfs/dbraw/zinc/18/32/17/1071183217.db2.gz WQDUILLVHIREOA-UHFFFAOYSA-N 1 1 492.584 1.289 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001504425025 1071183278 /nfs/dbraw/zinc/18/32/78/1071183278.db2.gz YFEFBJRHIAQDKA-HXUWFJFHSA-N 1 1 485.633 1.468 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)C[C@H]1CC ZINC001503222720 1071184182 /nfs/dbraw/zinc/18/41/82/1071184182.db2.gz JNFKAQCHBRGKSG-HXUWFJFHSA-N 1 1 496.678 1.162 20 0 JDADMO 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CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001503286857 1071476787 /nfs/dbraw/zinc/47/67/87/1071476787.db2.gz KGSMULLICNAWEW-IBGZPJMESA-N 1 1 462.620 1.779 20 0 JDADMO COCC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001504643704 1071506560 /nfs/dbraw/zinc/50/65/60/1071506560.db2.gz IPFZWZNUXWWHRF-HKUYNNGSSA-N 1 1 470.640 1.028 20 0 JDADMO CC[S@@](=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001503297520 1071513029 /nfs/dbraw/zinc/51/30/29/1071513029.db2.gz HMTLOLXJAFFAIE-PKHCJMHPSA-N 1 1 452.669 1.545 20 0 JDADMO CC[S@](=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503299811 1071517057 /nfs/dbraw/zinc/51/70/57/1071517057.db2.gz IIKJZYGVTVZERQ-YXNGKZNRSA-N 1 1 487.674 1.411 20 0 JDADMO COC[C@@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001504664850 1071526663 /nfs/dbraw/zinc/52/66/63/1071526663.db2.gz MXDXAZBUDQSBKN-HSALFYBXSA-N 1 1 486.683 1.642 20 0 JDADMO CC[S@](=O)CCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC(C)(OC)C1 ZINC001503304243 1071527323 /nfs/dbraw/zinc/52/73/23/1071527323.db2.gz WTVVXOXEIZNFKX-YTTGMZPUSA-N 1 1 460.648 1.637 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001504665312 1071527425 /nfs/dbraw/zinc/52/74/25/1071527425.db2.gz PFSRWCCBOIZAIM-MOPGFXCFSA-N 1 1 485.699 1.167 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001504665312 1071527435 /nfs/dbraw/zinc/52/74/35/1071527435.db2.gz PFSRWCCBOIZAIM-MOPGFXCFSA-N 1 1 485.699 1.167 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001504665312 1071527447 /nfs/dbraw/zinc/52/74/47/1071527447.db2.gz PFSRWCCBOIZAIM-MOPGFXCFSA-N 1 1 485.699 1.167 20 0 JDADMO COC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)C1 ZINC001504675733 1071534421 /nfs/dbraw/zinc/53/44/21/1071534421.db2.gz SKTNQFAVVYNTRQ-MOPGFXCFSA-N 1 1 476.647 1.809 20 0 JDADMO COC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCc3ccccc3C2)C1 ZINC001504675734 1071534555 /nfs/dbraw/zinc/53/45/55/1071534555.db2.gz SKTNQFAVVYNTRQ-OALUTQOASA-N 1 1 476.647 1.809 20 0 JDADMO COC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001504681465 1071537182 /nfs/dbraw/zinc/53/71/82/1071537182.db2.gz BCQSPSIOTTVATA-AABGKKOBSA-N 1 1 498.694 1.594 20 0 JDADMO COC[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001504689450 1071545709 /nfs/dbraw/zinc/54/57/09/1071545709.db2.gz MIDOPDPCJVBACJ-VIZSFHNOSA-N 1 1 451.612 1.760 20 0 JDADMO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001504690453 1071546221 /nfs/dbraw/zinc/54/62/21/1071546221.db2.gz UCBVLZLYZPLLSA-ZWKOTPCHSA-N 1 1 472.656 1.252 20 0 JDADMO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc[nH+]c32)CC1 ZINC001504687496 1071542817 /nfs/dbraw/zinc/54/28/17/1071542817.db2.gz CTYPSLXRJPCXMM-DOTOQJQBSA-N 1 1 451.597 1.525 20 0 JDADMO COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001504698829 1071549679 /nfs/dbraw/zinc/54/96/79/1071549679.db2.gz ARUGVRGTTUEIRL-MOPGFXCFSA-N 1 1 484.667 1.206 20 0 JDADMO COC[C@@H]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001504701863 1071552423 /nfs/dbraw/zinc/55/24/23/1071552423.db2.gz ZWBXMUPFAWCEAS-KHCICDEESA-N 1 1 478.638 1.932 20 0 JDADMO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001504707312 1071556460 /nfs/dbraw/zinc/55/64/60/1071556460.db2.gz BRGVPSOABXUCSW-CEXWTWQISA-N 1 1 464.611 1.254 20 0 JDADMO COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001504707312 1071556476 /nfs/dbraw/zinc/55/64/76/1071556476.db2.gz BRGVPSOABXUCSW-CEXWTWQISA-N 1 1 464.611 1.254 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(CC2CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001503356834 1071556751 /nfs/dbraw/zinc/55/67/51/1071556751.db2.gz AEDBJEVSIFYXPH-WOJBJXKFSA-N 1 1 480.679 1.577 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC2CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001503356834 1071556769 /nfs/dbraw/zinc/55/67/69/1071556769.db2.gz AEDBJEVSIFYXPH-WOJBJXKFSA-N 1 1 480.679 1.577 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071557999 /nfs/dbraw/zinc/55/79/99/1071557999.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 1 1 499.708 1.964 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071558011 /nfs/dbraw/zinc/55/80/11/1071558011.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 1 1 499.708 1.964 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001503357667 1071559853 /nfs/dbraw/zinc/55/98/53/1071559853.db2.gz AEWDUOFHFSRTGO-VQTJNVASSA-N 1 1 475.638 1.207 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357867 1071560591 /nfs/dbraw/zinc/56/05/91/1071560591.db2.gz BKWTWWVDNGJMMC-IRXDYDNUSA-N 1 1 460.608 1.265 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cscn1 ZINC001503357864 1071560920 /nfs/dbraw/zinc/56/09/20/1071560920.db2.gz BKWTWWVDNGJMMC-IAGOWNOFSA-N 1 1 460.608 1.265 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503357984 1071562255 /nfs/dbraw/zinc/56/22/55/1071562255.db2.gz CIJCACVIOKNTIV-IBGZPJMESA-N 1 1 497.710 1.327 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001503357986 1071562373 /nfs/dbraw/zinc/56/23/73/1071562373.db2.gz CIJCACVIOKNTIV-LJQANCHMSA-N 1 1 497.710 1.327 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C ZINC001503358121 1071564159 /nfs/dbraw/zinc/56/41/59/1071564159.db2.gz DVESJAWBRFOYHS-IBGZPJMESA-N 1 1 470.622 1.634 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CCCc2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001503358321 1071565806 /nfs/dbraw/zinc/56/58/06/1071565806.db2.gz UGKYAKPUAGMFCF-QFIPXVFZSA-N 1 1 481.645 1.722 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001503358364 1071566486 /nfs/dbraw/zinc/56/64/86/1071566486.db2.gz UXKBXYRPXIXJDF-MSOLQXFVSA-N 1 1 499.582 1.678 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+]2Cc2ccccc2)CCO1 ZINC001504710938 1071566539 /nfs/dbraw/zinc/56/65/39/1071566539.db2.gz IXTAERNRLDNFOT-JBACZVJFSA-N 1 1 492.646 1.405 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(Cc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 ZINC001503358711 1071567555 /nfs/dbraw/zinc/56/75/55/1071567555.db2.gz HSMCZLMHMCCJPK-NRFANRHFSA-N 1 1 485.608 1.652 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001503358804 1071568407 /nfs/dbraw/zinc/56/84/07/1071568407.db2.gz LMWCKZWWZJDBRB-NRFANRHFSA-N 1 1 484.649 1.911 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359588 1071569646 /nfs/dbraw/zinc/56/96/46/1071569646.db2.gz MGEYIQPEDUPKEM-RBUKOAKNSA-N 1 1 484.605 1.341 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361193 1071575484 /nfs/dbraw/zinc/57/54/84/1071575484.db2.gz SXLPDFDDKDXLJR-PMACEKPBSA-N 1 1 480.679 1.749 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361195 1071575619 /nfs/dbraw/zinc/57/56/19/1071575619.db2.gz SXLPDFDDKDXLJR-VQTJNVASSA-N 1 1 480.679 1.749 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361195 1071575627 /nfs/dbraw/zinc/57/56/27/1071575627.db2.gz SXLPDFDDKDXLJR-VQTJNVASSA-N 1 1 480.679 1.749 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001503361302 1071575657 /nfs/dbraw/zinc/57/56/57/1071575657.db2.gz UTVPWRYBUFDKJU-OALUTQOASA-N 1 1 489.024 1.857 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361196 1071575846 /nfs/dbraw/zinc/57/58/46/1071575846.db2.gz SXLPDFDDKDXLJR-WOJBJXKFSA-N 1 1 480.679 1.749 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361196 1071575859 /nfs/dbraw/zinc/57/58/59/1071575859.db2.gz SXLPDFDDKDXLJR-WOJBJXKFSA-N 1 1 480.679 1.749 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(N)=O)C1 ZINC001503360807 1071575063 /nfs/dbraw/zinc/57/50/63/1071575063.db2.gz SMUNAHMOKVBZEK-QFBILLFUSA-N 1 1 474.009 1.853 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1 ZINC001503361193 1071575474 /nfs/dbraw/zinc/57/54/74/1071575474.db2.gz SXLPDFDDKDXLJR-PMACEKPBSA-N 1 1 480.679 1.749 20 0 JDADMO COC[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001504714625 1071576417 /nfs/dbraw/zinc/57/64/17/1071576417.db2.gz RMBOYCDFPRNPAM-INIZCTEOSA-N 1 1 483.411 1.998 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 ZINC001503361303 1071576734 /nfs/dbraw/zinc/57/67/34/1071576734.db2.gz UTVPWRYBUFDKJU-RBUKOAKNSA-N 1 1 489.024 1.857 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001503361684 1071577492 /nfs/dbraw/zinc/57/74/92/1071577492.db2.gz XUXWHKJZVOVSII-OTWHNJEPSA-N 1 1 461.611 1.035 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(Cc2ccccn2)nnc1N1CCC(CO)CC1 ZINC001503361666 1071577829 /nfs/dbraw/zinc/57/78/29/1071577829.db2.gz XSRHRZZEVBQSGK-NRFANRHFSA-N 1 1 455.607 1.415 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503361893 1071578631 /nfs/dbraw/zinc/57/86/31/1071578631.db2.gz ZJPHRINYAPOYFH-RTBURBONSA-N 1 1 461.655 1.901 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001503361891 1071578928 /nfs/dbraw/zinc/57/89/28/1071578928.db2.gz ZJPHRINYAPOYFH-RBUKOAKNSA-N 1 1 461.655 1.901 20 0 JDADMO COC[C@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001504718247 1071582082 /nfs/dbraw/zinc/58/20/82/1071582082.db2.gz FDBDPGTWOBQBSN-QUCCMNQESA-N 1 1 459.595 1.078 20 0 JDADMO 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COCCN1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915875 1071878640 /nfs/dbraw/zinc/87/86/40/1071878640.db2.gz OWHCICMGIWXRGY-ACRUOGEOSA-N 1 1 457.623 1.996 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001504915881 1071878666 /nfs/dbraw/zinc/87/86/66/1071878666.db2.gz ZSUHMBPKHHVBTR-INIZCTEOSA-N 1 1 456.526 1.394 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCNC(=O)C(C)C)C[C@@H]1C ZINC001504916226 1071879079 /nfs/dbraw/zinc/87/90/79/1071879079.db2.gz DNUSBBFHNVNNBY-KRWDZBQOSA-N 1 1 482.589 1.523 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNS(C)(=O)=O)C[C@@H]1C ZINC001504915950 1071879280 /nfs/dbraw/zinc/87/92/80/1071879280.db2.gz AQEYQAPGDKXXAT-INIZCTEOSA-N 1 1 461.592 1.133 20 0 JDADMO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001503601674 1071879711 /nfs/dbraw/zinc/87/97/11/1071879711.db2.gz IPFJHZFAKULQPB-KRWDZBQOSA-N 1 1 454.641 1.505 20 0 JDADMO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001503601674 1071879714 /nfs/dbraw/zinc/87/97/14/1071879714.db2.gz IPFJHZFAKULQPB-KRWDZBQOSA-N 1 1 454.641 1.505 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccc(F)cc2)C[C@@H]1C ZINC001504916264 1071879811 /nfs/dbraw/zinc/87/98/11/1071879811.db2.gz DZYRSWLIIZMVPO-SBUREZEXSA-N 1 1 455.538 1.939 20 0 JDADMO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001503601675 1071879796 /nfs/dbraw/zinc/87/97/96/1071879796.db2.gz IPFJHZFAKULQPB-QGZVFWFLSA-N 1 1 454.641 1.505 20 0 JDADMO CN(CCCS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001503601675 1071879803 /nfs/dbraw/zinc/87/98/03/1071879803.db2.gz IPFJHZFAKULQPB-QGZVFWFLSA-N 1 1 454.641 1.505 20 0 JDADMO COCCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001504916595 1071881087 /nfs/dbraw/zinc/88/10/87/1071881087.db2.gz HPKCFFWXZMHSST-QZTJIDSGSA-N 1 1 468.606 1.299 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C(C)C)CC2)C[C@H]1C ZINC001504917983 1071884501 /nfs/dbraw/zinc/88/45/01/1071884501.db2.gz AQFBEBPKPYUKDD-MOPGFXCFSA-N 1 1 484.667 1.204 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)c2ccccc2)C[C@H]1C ZINC001504918257 1071885762 /nfs/dbraw/zinc/88/57/62/1071885762.db2.gz ROUMTADKDYAUKT-GOSISDBHSA-N 1 1 462.620 1.681 20 0 JDADMO COCC[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001504918414 1071886381 /nfs/dbraw/zinc/88/63/81/1071886381.db2.gz DWLZIPUVIXGKHA-IBGZPJMESA-N 1 1 493.630 1.423 20 0 JDADMO CN(CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)CC(F)(F)F ZINC001503609104 1071892789 /nfs/dbraw/zinc/89/27/89/1071892789.db2.gz IXXKZAWUBRRGRY-UHFFFAOYSA-N 1 1 497.570 1.307 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001504918448 1071886856 /nfs/dbraw/zinc/88/68/56/1071886856.db2.gz TZXUIGPQTCEFSG-DOTOQJQBSA-N 1 1 497.522 1.771 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001504918451 1071886883 /nfs/dbraw/zinc/88/68/83/1071886883.db2.gz TZXUIGPQTCEFSG-WBVHZDCISA-N 1 1 497.522 1.771 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC(C)C)CC2)C[C@@H]1C ZINC001504918854 1071887443 /nfs/dbraw/zinc/88/74/43/1071887443.db2.gz HALMKFLPCBCCOT-VQTJNVASSA-N 1 1 498.694 1.594 20 0 JDADMO CN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CC(F)(F)F ZINC001503608903 1071892130 /nfs/dbraw/zinc/89/21/30/1071892130.db2.gz FNIVSXQJXJMAAM-KRWDZBQOSA-N 1 1 468.528 1.510 20 0 JDADMO CN(CCCS(C)(=O)=O)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2[nH+]ccn2C1 ZINC001503605629 1071888394 /nfs/dbraw/zinc/88/83/94/1071888394.db2.gz PCOSGVPQVSOBBI-INIZCTEOSA-N 1 1 491.643 1.600 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)C[C@H]1C ZINC001504919399 1071889835 /nfs/dbraw/zinc/88/98/35/1071889835.db2.gz JXNPLBPGARXYRK-QAPCUYQASA-N 1 1 480.516 1.329 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C[C@@H]1C ZINC001504919737 1071890418 /nfs/dbraw/zinc/89/04/18/1071890418.db2.gz MAIPHCQBIWKXEI-FPOVZHCZSA-N 1 1 486.617 1.855 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)c2cccc(O)c2)C[C@H]1C ZINC001504919735 1071890487 /nfs/dbraw/zinc/89/04/87/1071890487.db2.gz MAIPHCQBIWKXEI-CTNGQTDRSA-N 1 1 486.617 1.855 20 0 JDADMO C[N@@H+](CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC001503607168 1071890713 /nfs/dbraw/zinc/89/07/13/1071890713.db2.gz OTCSSYPJMYCMBT-QGZVFWFLSA-N 1 1 466.521 1.508 20 0 JDADMO CN(CCn1c(-c2cnn(C)c2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)CC(F)(F)F ZINC001503609104 1071892783 /nfs/dbraw/zinc/89/27/83/1071892783.db2.gz IXXKZAWUBRRGRY-UHFFFAOYSA-N 1 1 497.570 1.307 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)Cc2ccccc2)C[C@H]1C ZINC001504920105 1071891675 /nfs/dbraw/zinc/89/16/75/1071891675.db2.gz OXLPHOSMRIXKPS-IFMALSPDSA-N 1 1 470.618 1.988 20 0 JDADMO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001504920460 1071892895 /nfs/dbraw/zinc/89/28/95/1071892895.db2.gz QPOMQKXLNMEHNA-UNMCSNQZSA-N 1 1 470.618 1.988 20 0 JDADMO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001504920456 1071892917 /nfs/dbraw/zinc/89/29/17/1071892917.db2.gz QPOMQKXLNMEHNA-IRLDBZIGSA-N 1 1 470.618 1.988 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001504922588 1071898542 /nfs/dbraw/zinc/89/85/42/1071898542.db2.gz KYZSZFJYSFGAGW-LPHOPBHVSA-N 1 1 490.008 1.667 20 0 JDADMO CN(CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001503610440 1071893868 /nfs/dbraw/zinc/89/38/68/1071893868.db2.gz CFAVIXOGTNRHBX-SFHVURJKSA-N 1 1 467.540 1.917 20 0 JDADMO CN(CC1CC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)Cc1ccccc1 ZINC001503610498 1071894309 /nfs/dbraw/zinc/89/43/09/1071894309.db2.gz GHBZOSMHBHWKBY-FQEVSTJZSA-N 1 1 462.620 1.589 20 0 JDADMO CN(CCn1c([C@H]2CCOC2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)CC(F)(F)F ZINC001503610550 1071894335 /nfs/dbraw/zinc/89/43/35/1071894335.db2.gz HKCVGNUXCXJQKK-SFHVURJKSA-N 1 1 487.571 1.411 20 0 JDADMO CN(CCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)CC(F)(F)F ZINC001503610550 1071894336 /nfs/dbraw/zinc/89/43/36/1071894336.db2.gz HKCVGNUXCXJQKK-SFHVURJKSA-N 1 1 487.571 1.411 20 0 JDADMO C[N@@H+](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1)C1CCCC1 ZINC001503610510 1071894507 /nfs/dbraw/zinc/89/45/07/1071894507.db2.gz GLICOOBQCUGSIR-GOSISDBHSA-N 1 1 452.669 1.975 20 0 JDADMO COCCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001504920960 1071894619 /nfs/dbraw/zinc/89/46/19/1071894619.db2.gz SNZMGJYXEDXWJE-UXHICEINSA-N 1 1 464.655 1.828 20 0 JDADMO C[N@@H+](CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1)C1CCCC1 ZINC001503610809 1071894935 /nfs/dbraw/zinc/89/49/35/1071894935.db2.gz ITHDLNJKWPGOMV-HKUYNNGSSA-N 1 1 491.637 1.773 20 0 JDADMO CN(CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC001503610828 1071894947 /nfs/dbraw/zinc/89/49/47/1071894947.db2.gz JBZBPCFTDGHIMZ-ROUUACIJSA-N 1 1 460.545 1.967 20 0 JDADMO CN(CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC001503610827 1071895009 /nfs/dbraw/zinc/89/50/09/1071895009.db2.gz JBZBPCFTDGHIMZ-QZTJIDSGSA-N 1 1 460.545 1.967 20 0 JDADMO CN(CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC001503610829 1071895054 /nfs/dbraw/zinc/89/50/54/1071895054.db2.gz JBZBPCFTDGHIMZ-ZWKOTPCHSA-N 1 1 460.545 1.967 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C[C@@H]1C ZINC001504921222 1071895149 /nfs/dbraw/zinc/89/51/49/1071895149.db2.gz VUVQCFHKYFTYDB-SFHVURJKSA-N 1 1 483.617 1.356 20 0 JDADMO COCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001504921449 1071895526 /nfs/dbraw/zinc/89/55/26/1071895526.db2.gz XBEAPCJZBGOBAD-BDTNDASRSA-N 1 1 496.722 1.707 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C[C@H]1C ZINC001504921490 1071896012 /nfs/dbraw/zinc/89/60/12/1071896012.db2.gz XICWKSPZMMBIAJ-MOPGFXCFSA-N 1 1 486.683 1.450 20 0 JDADMO COCC[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccc(Cl)c2)CC1 ZINC001504921467 1071896022 /nfs/dbraw/zinc/89/60/22/1071896022.db2.gz XDABQKNAEPWGCA-LJQANCHMSA-N 1 1 499.037 1.081 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001504922701 1071898933 /nfs/dbraw/zinc/89/89/33/1071898933.db2.gz AABXDXAROZASNK-CVDCTZTESA-N 1 1 457.579 1.797 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C(C)C)C[C@H]1C ZINC001504921495 1071896061 /nfs/dbraw/zinc/89/60/61/1071896061.db2.gz XICWKSPZMMBIAJ-RTBURBONSA-N 1 1 486.683 1.450 20 0 JDADMO COCC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC(C)C)C[C@@H]1C ZINC001504921616 1071896082 /nfs/dbraw/zinc/89/60/82/1071896082.db2.gz YLEOLIJUSYNPFK-OALUTQOASA-N 1 1 472.656 1.204 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(C(C)=O)C2)C[C@H]1C ZINC001504921992 1071897084 /nfs/dbraw/zinc/89/70/84/1071897084.db2.gz BVCLFFGGXWHLQA-DENIHFKCSA-N 1 1 455.607 1.679 20 0 JDADMO COCCN1CCN(c2nnc(Cc3ccccc3C)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC001504921866 1071897151 /nfs/dbraw/zinc/89/71/51/1071897151.db2.gz BIIJVZHDEGRHKE-SZPZYZBQSA-N 1 1 484.645 1.972 20 0 JDADMO COCCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1=O ZINC001504922077 1071897558 /nfs/dbraw/zinc/89/75/58/1071897558.db2.gz FGCQFAYDYONHCW-FQEVSTJZSA-N 1 1 455.607 1.679 20 0 JDADMO COCC[NH+]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001504922049 1071897640 /nfs/dbraw/zinc/89/76/40/1071897640.db2.gz DHCHOJNQZOKFER-UHFFFAOYSA-N 1 1 481.576 1.910 20 0 JDADMO CN(CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1)CC(F)(F)F ZINC001503612328 1071897733 /nfs/dbraw/zinc/89/77/33/1071897733.db2.gz JWIDKSUIUOXPMT-LJQANCHMSA-N 1 1 467.540 1.917 20 0 JDADMO COCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCC(=O)N(C)C)CC1 ZINC001504922547 1071898508 /nfs/dbraw/zinc/89/85/08/1071898508.db2.gz KODGRGARXXEORO-UHFFFAOYSA-N 1 1 450.534 1.784 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001504923920 1071904887 /nfs/dbraw/zinc/90/48/87/1071904887.db2.gz LBMLTBJMVFVZDH-LJQANCHMSA-N 1 1 463.586 1.762 20 0 JDADMO COCC[NH+]1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001504923948 1071905192 /nfs/dbraw/zinc/90/51/92/1071905192.db2.gz MCZMQPBESVPOCI-UHFFFAOYSA-N 1 1 476.647 1.669 20 0 JDADMO COCCN1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504923874 1071905266 /nfs/dbraw/zinc/90/52/66/1071905266.db2.gz KNIODYGHGBBSSH-OAQYLSRUSA-N 1 1 461.655 1.679 20 0 JDADMO COCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001504923224 1071899518 /nfs/dbraw/zinc/89/95/18/1071899518.db2.gz SRQPQBRBNPQCBH-GOSISDBHSA-N 1 1 477.679 1.902 20 0 JDADMO 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C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)CC1 ZINC001465260880 1067768693 /nfs/dbraw/zinc/76/86/93/1067768693.db2.gz IPMDHNNRGCNUNJ-UHFFFAOYSA-N 1 1 457.575 1.567 20 0 JDADMO COc1ccc(Cn2ncc3cc(C(=O)N[C@H](C)[C@H]4C[N@@H+](C)CCN4C)cnc32)c(OC)c1 ZINC001465293751 1067774203 /nfs/dbraw/zinc/77/42/03/1067774203.db2.gz RIRRQFUAEPHZRM-IIBYNOLFSA-N 1 1 452.559 1.861 20 0 JDADMO O=C(CCC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC001465350626 1067784928 /nfs/dbraw/zinc/78/49/28/1067784928.db2.gz IDFREBHXSJBWMV-UHFFFAOYSA-N 1 1 450.967 1.775 20 0 JDADMO O=C(CCOCC(F)(F)C(F)(F)F)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001465350847 1067785090 /nfs/dbraw/zinc/78/50/90/1067785090.db2.gz QUSHRGXRTUUAMF-UHFFFAOYSA-N 1 1 459.456 1.668 20 0 JDADMO COc1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1S(=O)(=O)N1CCOCC1 ZINC001465366618 1067788013 /nfs/dbraw/zinc/78/80/13/1067788013.db2.gz GHILWEAGDWQEFI-UHFFFAOYSA-N 1 1 451.589 1.807 20 0 JDADMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001465377174 1067789824 /nfs/dbraw/zinc/78/98/24/1067789824.db2.gz GXLUMAMZSBEQAB-QFIPXVFZSA-N 1 1 458.584 1.810 20 0 JDADMO C[C@H](CNC(=O)c1cnc2ccc(I)cc2c1O)C[NH+]1CCOCC1 ZINC001465396831 1067795123 /nfs/dbraw/zinc/79/51/23/1067795123.db2.gz RJGLJJARNGKCFC-GFCCVEGCSA-N 1 1 455.296 1.831 20 0 JDADMO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)Nc1cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c1)C2 ZINC001465412306 1067795901 /nfs/dbraw/zinc/79/59/01/1067795901.db2.gz BZEVDTGHKITIHQ-KDLAUNOPSA-N 1 1 458.559 1.958 20 0 JDADMO CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)Nc1cccc(C[N@H+]3CCC[C@H]3C(N)=O)c1)C2 ZINC001465412306 1067795913 /nfs/dbraw/zinc/79/59/13/1067795913.db2.gz BZEVDTGHKITIHQ-KDLAUNOPSA-N 1 1 458.559 1.958 20 0 JDADMO COc1ccc(C2N=NC(=S)N2CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001465424699 1067797767 /nfs/dbraw/zinc/79/77/67/1067797767.db2.gz GONALAYDJDLZQM-HSZRJFAPSA-N 1 1 453.568 1.996 20 0 JDADMO CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)=NO2)C1 ZINC001465425339 1067798204 /nfs/dbraw/zinc/79/82/04/1067798204.db2.gz ZLIJDSZUMVAEIO-DNQXCXABSA-N 1 1 458.559 1.896 20 0 JDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1=O ZINC001465437179 1067801005 /nfs/dbraw/zinc/80/10/05/1067801005.db2.gz SDMJFYIONVIVML-RCCFBDPRSA-N 1 1 451.593 1.131 20 0 JDADMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001465448584 1067801856 /nfs/dbraw/zinc/80/18/56/1067801856.db2.gz UOKRHOOSYOFOKP-QGZVFWFLSA-N 1 1 458.540 1.222 20 0 JDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@](C(=O)NC)(C(F)(F)F)C3)cc2)CC1 ZINC001465466661 1067802832 /nfs/dbraw/zinc/80/28/32/1067802832.db2.gz PTGDJZLSWIQNNZ-FQEVSTJZSA-N 1 1 455.481 1.997 20 0 JDADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)cc2)CC1 ZINC001465472231 1067803608 /nfs/dbraw/zinc/80/36/08/1067803608.db2.gz PTLOOLWYPMQBFY-LEWJYISDSA-N 1 1 456.568 1.956 20 0 JDADMO CN1CC[NH+](CCOc2ccc(NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)cc2)CC1 ZINC001465472234 1067803630 /nfs/dbraw/zinc/80/36/30/1067803630.db2.gz PTLOOLWYPMQBFY-SFTDATJTSA-N 1 1 456.568 1.956 20 0 JDADMO C[C@@H]1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC[N@H+]1Cc1ccccc1 ZINC001465484506 1067804490 /nfs/dbraw/zinc/80/44/90/1067804490.db2.gz HBOIAHVZFCRMCX-MRXNPFEDSA-N 1 1 458.540 1.365 20 0 JDADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001465484797 1067804542 /nfs/dbraw/zinc/80/45/42/1067804542.db2.gz PWWCZYQDLHRPBO-ABSDTBQOSA-N 1 1 451.614 1.899 20 0 JDADMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001465515838 1067807242 /nfs/dbraw/zinc/80/72/42/1067807242.db2.gz UVGGOXXNZOHNAS-IRLDBZIGSA-N 1 1 450.587 1.932 20 0 JDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)cc1 ZINC001465513272 1067807293 /nfs/dbraw/zinc/80/72/93/1067807293.db2.gz HPKILTKMBAMPPH-HQRMLTQVSA-N 1 1 458.559 1.639 20 0 JDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)cc1 ZINC001465513275 1067807341 /nfs/dbraw/zinc/80/73/41/1067807341.db2.gz HPKILTKMBAMPPH-XKGZKEIXSA-N 1 1 458.559 1.639 20 0 JDADMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001465515840 1067807352 /nfs/dbraw/zinc/80/73/52/1067807352.db2.gz UVGGOXXNZOHNAS-UNMCSNQZSA-N 1 1 450.587 1.932 20 0 JDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC001465539282 1067808718 /nfs/dbraw/zinc/80/87/18/1067808718.db2.gz FSQDODXJXVOFFW-QGZVFWFLSA-N 1 1 451.593 1.534 20 0 JDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CC(=O)N(C(C)(C)C)C3)c2)CC1 ZINC001465539282 1067808721 /nfs/dbraw/zinc/80/87/21/1067808721.db2.gz FSQDODXJXVOFFW-QGZVFWFLSA-N 1 1 451.593 1.534 20 0 JDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)c2)CC1 ZINC001465539234 1067808726 /nfs/dbraw/zinc/80/87/26/1067808726.db2.gz CYGMKNVFEZQVHF-UXHICEINSA-N 1 1 452.577 1.425 20 0 JDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H]([C@H]4CCCO4)C3)c2)CC1 ZINC001465539234 1067808727 /nfs/dbraw/zinc/80/87/27/1067808727.db2.gz CYGMKNVFEZQVHF-UXHICEINSA-N 1 1 452.577 1.425 20 0 JDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)c2)CC1 ZINC001465539233 1067808765 /nfs/dbraw/zinc/80/87/65/1067808765.db2.gz CYGMKNVFEZQVHF-PMACEKPBSA-N 1 1 452.577 1.425 20 0 JDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)c2)CC1 ZINC001465539233 1067808767 /nfs/dbraw/zinc/80/87/67/1067808767.db2.gz CYGMKNVFEZQVHF-PMACEKPBSA-N 1 1 452.577 1.425 20 0 JDADMO CC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C[C@H](C)[S@]1=O ZINC001465539515 1067808817 /nfs/dbraw/zinc/80/88/17/1067808817.db2.gz NTSCJLMRWMGOCH-ODQPGOTDSA-N 1 1 456.634 1.776 20 0 JDADMO CC[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C[C@H](C)[S@]1=O ZINC001465539515 1067808819 /nfs/dbraw/zinc/80/88/19/1067808819.db2.gz NTSCJLMRWMGOCH-ODQPGOTDSA-N 1 1 456.634 1.776 20 0 JDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)c2)CC1 ZINC001465539235 1067808826 /nfs/dbraw/zinc/80/88/26/1067808826.db2.gz CYGMKNVFEZQVHF-VQTJNVASSA-N 1 1 452.577 1.425 20 0 JDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)c2)CC1 ZINC001465539235 1067808829 /nfs/dbraw/zinc/80/88/29/1067808829.db2.gz CYGMKNVFEZQVHF-VQTJNVASSA-N 1 1 452.577 1.425 20 0 JDADMO CNC(=O)[C@H](CCSC)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001465539755 1067809103 /nfs/dbraw/zinc/80/91/03/1067809103.db2.gz WWBWRNJKOOUQBG-KRWDZBQOSA-N 1 1 457.622 1.002 20 0 JDADMO CNC(=O)[C@H](CCSC)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001465539755 1067809105 /nfs/dbraw/zinc/80/91/05/1067809105.db2.gz WWBWRNJKOOUQBG-KRWDZBQOSA-N 1 1 457.622 1.002 20 0 JDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC001465546120 1067809634 /nfs/dbraw/zinc/80/96/34/1067809634.db2.gz FDNCLJNBABGOKM-OAQYLSRUSA-N 1 1 455.563 1.236 20 0 JDADMO 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CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 ZINC001465560529 1067811161 /nfs/dbraw/zinc/81/11/61/1067811161.db2.gz VGVRHPFGDCFSKU-QGZVFWFLSA-N 1 1 454.568 1.092 20 0 JDADMO CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC001465567142 1067811726 /nfs/dbraw/zinc/81/17/26/1067811726.db2.gz UDCOUZLJHJLXFT-UHFFFAOYSA-N 1 1 451.593 1.775 20 0 JDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 ZINC001465570680 1067811865 /nfs/dbraw/zinc/81/18/65/1067811865.db2.gz QYNHYTPBOJKYIJ-QGZVFWFLSA-N 1 1 451.593 1.534 20 0 JDADMO COc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1S(=O)(=O)N1CCCC1 ZINC001465660213 1067817139 /nfs/dbraw/zinc/81/71/39/1067817139.db2.gz TYQDUKSKNIQMRN-GOSISDBHSA-N 1 1 454.593 1.958 20 0 JDADMO O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001465664464 1067817452 /nfs/dbraw/zinc/81/74/52/1067817452.db2.gz RTDRYEJIFYCNFO-LJQANCHMSA-N 1 1 451.593 1.045 20 0 JDADMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001465685966 1067820034 /nfs/dbraw/zinc/82/00/34/1067820034.db2.gz QQKNJWIVERRWCB-LJQANCHMSA-N 1 1 458.588 1.481 20 0 JDADMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001465685966 1067820035 /nfs/dbraw/zinc/82/00/35/1067820035.db2.gz QQKNJWIVERRWCB-LJQANCHMSA-N 1 1 458.588 1.481 20 0 JDADMO COc1ccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1S(=O)(=O)NC1CC1 ZINC001465694275 1067820673 /nfs/dbraw/zinc/82/06/73/1067820673.db2.gz HSYQNSJMIUHGJI-SFHVURJKSA-N 1 1 453.609 1.529 20 0 JDADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001465736157 1067824665 /nfs/dbraw/zinc/82/46/65/1067824665.db2.gz FSAJXLORRVCBIT-KSFYIVLOSA-N 1 1 452.552 1.628 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)CC1 ZINC001465743685 1067825424 /nfs/dbraw/zinc/82/54/24/1067825424.db2.gz PNXULQFAIZLOEZ-LJQANCHMSA-N 1 1 455.559 1.300 20 0 JDADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCNc1ccc(-c2ccccc2)nn1 ZINC001465747861 1067826051 /nfs/dbraw/zinc/82/60/51/1067826051.db2.gz OZCAVBYZRXBTJI-NRFANRHFSA-N 1 1 452.559 1.385 20 0 JDADMO O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCCNc1ccc(-c2ccccc2)nn1 ZINC001465747862 1067826099 /nfs/dbraw/zinc/82/60/99/1067826099.db2.gz OZCAVBYZRXBTJI-OAQYLSRUSA-N 1 1 452.559 1.385 20 0 JDADMO O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1nccn1CCCc1ccccc1 ZINC001465755414 1067827266 /nfs/dbraw/zinc/82/72/66/1067827266.db2.gz IRZLAFWAELDBEC-QFIPXVFZSA-N 1 1 453.587 1.845 20 0 JDADMO C[C@H]1NC(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)=NN(c2ccccc2)C1=O ZINC001465777166 1067828902 /nfs/dbraw/zinc/82/89/02/1067828902.db2.gz HSYYPXOJMWXVIX-QGZVFWFLSA-N 1 1 454.962 1.917 20 0 JDADMO CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC001465784901 1067830126 /nfs/dbraw/zinc/83/01/26/1067830126.db2.gz HFFZGWUJMQJEEJ-HOTGVXAUSA-N 1 1 451.543 1.512 20 0 JDADMO CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC001465784903 1067830134 /nfs/dbraw/zinc/83/01/34/1067830134.db2.gz HFFZGWUJMQJEEJ-JKSUJKDBSA-N 1 1 451.543 1.512 20 0 JDADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)CCCC[NH+]2CCOCC2)CC1 ZINC001465835104 1067835460 /nfs/dbraw/zinc/83/54/60/1067835460.db2.gz XQWLSPBAFNCEDL-UHFFFAOYSA-N 1 1 459.996 1.684 20 0 JDADMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001465880953 1067839092 /nfs/dbraw/zinc/83/90/92/1067839092.db2.gz UCZAEYQKCAWVMI-IEBWSBKVSA-N 1 1 451.589 1.849 20 0 JDADMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 ZINC001465880955 1067839174 /nfs/dbraw/zinc/83/91/74/1067839174.db2.gz UCZAEYQKCAWVMI-PKOBYXMFSA-N 1 1 451.589 1.849 20 0 JDADMO O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001465885246 1067839358 /nfs/dbraw/zinc/83/93/58/1067839358.db2.gz ZTHNEVLFJFRVBJ-JOCHJYFZSA-N 1 1 459.591 1.514 20 0 JDADMO O=C(Nc1ccc(C(=O)NC2CCOCC2)cc1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001465885247 1067839512 /nfs/dbraw/zinc/83/95/12/1067839512.db2.gz ZTHNEVLFJFRVBJ-QFIPXVFZSA-N 1 1 459.591 1.514 20 0 JDADMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC001465888380 1067839741 /nfs/dbraw/zinc/83/97/41/1067839741.db2.gz YHDZWWIRTHTFBW-QGZVFWFLSA-N 1 1 459.559 1.719 20 0 JDADMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CC1 ZINC001465900262 1067840874 /nfs/dbraw/zinc/84/08/74/1067840874.db2.gz QXRMEVULHBKABS-UHFFFAOYSA-N 1 1 453.971 1.733 20 0 JDADMO Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](O)COc1ccc(I)cc1)CC2 ZINC001465913528 1067842760 /nfs/dbraw/zinc/84/27/60/1067842760.db2.gz QGZOTXNMKLIJGH-XJKSGUPXSA-N 1 1 455.296 1.915 20 0 JDADMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC001465934679 1067844833 /nfs/dbraw/zinc/84/48/33/1067844833.db2.gz YKUJNXRSQGGHEZ-OAQYLSRUSA-N 1 1 450.543 1.723 20 0 JDADMO 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COc1ccccc1COC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC001466092509 1067859084 /nfs/dbraw/zinc/85/90/84/1067859084.db2.gz UNCVNURZPQQDMX-QHCPKHFHSA-N 1 1 459.587 1.916 20 0 JDADMO C[N@@H+]1CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC001466099487 1067859389 /nfs/dbraw/zinc/85/93/89/1067859389.db2.gz QJQOGUBJXYMDHS-GBESFXJTSA-N 1 1 455.939 1.680 20 0 JDADMO C[N@H+]1CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC001466099487 1067859390 /nfs/dbraw/zinc/85/93/90/1067859390.db2.gz QJQOGUBJXYMDHS-GBESFXJTSA-N 1 1 455.939 1.680 20 0 JDADMO CC[N@H+]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C[C@@H]1C ZINC001466103863 1067860091 /nfs/dbraw/zinc/86/00/91/1067860091.db2.gz RTDAQJZWUVBSNX-IBGZPJMESA-N 1 1 450.605 1.161 20 0 JDADMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 ZINC001466123489 1067861845 /nfs/dbraw/zinc/86/18/45/1067861845.db2.gz ZKFPAWDJBYZJJH-IBGZPJMESA-N 1 1 450.499 1.875 20 0 JDADMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 ZINC001466123489 1067861849 /nfs/dbraw/zinc/86/18/49/1067861849.db2.gz ZKFPAWDJBYZJJH-IBGZPJMESA-N 1 1 450.499 1.875 20 0 JDADMO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC001466132845 1067863197 /nfs/dbraw/zinc/86/31/97/1067863197.db2.gz PJHPJJQFVJLBQP-VXKWHMMOSA-N 1 1 459.612 1.971 20 0 JDADMO Cn1ncc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1I ZINC001466133058 1067863677 /nfs/dbraw/zinc/86/36/77/1067863677.db2.gz PSJBZIGPYJUJQX-HOCLYGCPSA-N 1 1 454.312 1.638 20 0 JDADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1=O ZINC001466186192 1067868156 /nfs/dbraw/zinc/86/81/56/1067868156.db2.gz CCJDCEIJBBMZJH-IRXDYDNUSA-N 1 1 456.634 1.092 20 0 JDADMO Cc1[nH+]ccn1CCCN(C)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001466191754 1067868714 /nfs/dbraw/zinc/86/87/14/1067868714.db2.gz DYGHRYRSWOEDHX-FGTMMUONSA-N 1 1 454.593 1.710 20 0 JDADMO 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CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001508256387 1073025938 /nfs/dbraw/zinc/02/59/38/1073025938.db2.gz WZDZKTXWENGPTD-MJGOQNOKSA-N 1 1 466.652 1.359 20 0 JDADMO CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001508256387 1073025942 /nfs/dbraw/zinc/02/59/42/1073025942.db2.gz WZDZKTXWENGPTD-MJGOQNOKSA-N 1 1 466.652 1.359 20 0 JDADMO CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001508260903 1073029283 /nfs/dbraw/zinc/02/92/83/1073029283.db2.gz XBDFYMGVDNPILF-KRWDZBQOSA-N 1 1 461.636 1.803 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508266400 1073032501 /nfs/dbraw/zinc/03/25/01/1073032501.db2.gz BMBWBAVEZRCBEF-YLJYHZDGSA-N 1 1 473.647 1.444 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccsc4)n3CC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001508266399 1073032744 /nfs/dbraw/zinc/03/27/44/1073032744.db2.gz BMBWBAVEZRCBEF-XLIONFOSSA-N 1 1 473.647 1.444 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)N3CCOCC3)C[C@@H]2C)CC1 ZINC001508266897 1073033034 /nfs/dbraw/zinc/03/30/34/1073033034.db2.gz CILUQHNJCZYZRX-RBBKRZOGSA-N 1 1 489.709 1.966 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001508266837 1073033127 /nfs/dbraw/zinc/03/31/27/1073033127.db2.gz BZASCUQSKWQBPW-ICSRJNTNSA-N 1 1 463.627 1.220 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(C)(C)N3CCOCC3)C[C@H]2C)CC1 ZINC001508266892 1073033304 /nfs/dbraw/zinc/03/33/04/1073033304.db2.gz CILUQHNJCZYZRX-IRLDBZIGSA-N 1 1 489.709 1.966 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3CC(=O)NCC(F)(F)F)C[C@@H]2C)CC1 ZINC001508267012 1073033622 /nfs/dbraw/zinc/03/36/22/1073033622.db2.gz CZANXPIASZRNDU-HOCLYGCPSA-N 1 1 459.517 1.069 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC001508267420 1073034206 /nfs/dbraw/zinc/03/42/06/1073034206.db2.gz DHPZLWJOPPZUQY-UTKZUKDTSA-N 1 1 453.591 1.538 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3cccc(N(C)C)c3)C[C@H]2C)CC1 ZINC001508267906 1073034676 /nfs/dbraw/zinc/03/46/76/1073034676.db2.gz FXWMEXWXMUYOCD-AUSIDOKSSA-N 1 1 496.660 1.519 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(C(N)=O)c3)C[C@H]2C)CC1 ZINC001508268070 1073035076 /nfs/dbraw/zinc/03/50/76/1073035076.db2.gz HAGUMPQKZWVJML-DYESRHJHSA-N 1 1 467.618 1.712 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(C(N)=O)c3)C[C@@H]2C)CC1 ZINC001508268072 1073035275 /nfs/dbraw/zinc/03/52/75/1073035275.db2.gz HAGUMPQKZWVJML-LAUBAEHRSA-N 1 1 467.618 1.712 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC3CC(C)(C)C3)C[C@H]2C)CC1 ZINC001508268322 1073035915 /nfs/dbraw/zinc/03/59/15/1073035915.db2.gz HLCRCLKMIKYZJS-YLJYHZDGSA-N 1 1 459.639 1.841 20 0 JDADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C(C)C)[NH+]3CCOCC3)C[C@H]2C)CC1 ZINC001508268491 1073035959 /nfs/dbraw/zinc/03/59/59/1073035959.db2.gz HZYPVMAYRZSTNZ-GMKZXUHWSA-N 1 1 489.709 1.822 20 0 JDADMO CC(=O)N1CCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C(C)C)[NH+]3CCOCC3)C[C@@H]2C)CC1 ZINC001508268492 1073036089 /nfs/dbraw/zinc/03/60/89/1073036089.db2.gz HZYPVMAYRZSTNZ-OEMFJLHTSA-N 1 1 489.709 1.822 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccccc4F)n3CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001508268502 1073036221 /nfs/dbraw/zinc/03/62/21/1073036221.db2.gz IAMCJWBKAAOSEJ-UTKZUKDTSA-N 1 1 471.581 1.085 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CCSC3)C[C@@H]2C)CC1 ZINC001508269088 1073036723 /nfs/dbraw/zinc/03/67/23/1073036723.db2.gz IXPJKMQIZRYQCS-CECAUBDESA-N 1 1 450.653 1.432 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3Cc3ccc(Cl)nc3)C[C@H]2C)CC1 ZINC001508269067 1073036870 /nfs/dbraw/zinc/03/68/70/1073036870.db2.gz IWMVLOHVIVDFOP-VQIMIIECSA-N 1 1 489.024 1.502 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C4CCC4)n3CCC(=O)NC(C)(C)C)C[C@@H]2C)CC1 ZINC001508269166 1073037282 /nfs/dbraw/zinc/03/72/82/1073037282.db2.gz JEBSEVMUGFGEMW-FXAWDEMLSA-N 1 1 459.639 1.839 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cccnc4)n3CCN(C)CC(F)(F)F)C[C@H]2C)CC1 ZINC001508269147 1073037312 /nfs/dbraw/zinc/03/73/12/1073037312.db2.gz JCXGSUCRRZJHMC-XLIONFOSSA-N 1 1 494.566 1.823 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCc3cnn(C)n3)C[C@@H]2C)CC1 ZINC001508269976 1073037744 /nfs/dbraw/zinc/03/77/44/1073037744.db2.gz KSFBTZGWJIUXSG-RXVVDRJESA-N 1 1 471.654 1.617 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4ccc[nH]4)n3CCC(=O)NC(C)C)C[C@@H]2C)CC1 ZINC001508269748 1073037873 /nfs/dbraw/zinc/03/78/73/1073037873.db2.gz JSRYGPVKFGLYLT-PXNSSMCTSA-N 1 1 456.595 1.177 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CCc3ccc(F)cc3)C[C@@H]2C)CC1 ZINC001508270413 1073038231 /nfs/dbraw/zinc/03/82/31/1073038231.db2.gz KWDMAIYRCUBSSA-AVRDEDQJSA-N 1 1 485.608 1.787 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CC(=O)NCC3CC3)C[C@H]2C)CC1 ZINC001508271643 1073039079 /nfs/dbraw/zinc/03/90/79/1073039079.db2.gz MDCWWYVXXSSQMY-XLIONFOSSA-N 1 1 459.639 1.382 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC3CN(C(=O)OC(C)(C)C)C3)C[C@@H]2C)CC1 ZINC001508271655 1073039692 /nfs/dbraw/zinc/03/96/92/1073039692.db2.gz MEXNEZWJASFYQV-JXFKEZNVSA-N 1 1 461.611 1.442 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C)n3CC3CN(C(=O)OC(C)(C)C)C3)C[C@H]2C)CC1 ZINC001508271668 1073039996 /nfs/dbraw/zinc/03/99/96/1073039996.db2.gz MEXNEZWJASFYQV-UZLBHIALSA-N 1 1 461.611 1.442 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3cc(-c4ccccc4)[nH]n3)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001508272947 1073040883 /nfs/dbraw/zinc/04/08/83/1073040883.db2.gz BAUXAJLINKQOBQ-QGZVFWFLSA-N 1 1 479.589 1.199 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C(N)=O)cc3)C[C@H]2C)CC1 ZINC001508273124 1073041021 /nfs/dbraw/zinc/04/10/21/1073041021.db2.gz OOIRISBBMBMZRC-XMSQKQJNSA-N 1 1 467.618 1.613 20 0 JDADMO CC(=O)N1CC[NH+](CCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001508273872 1073042458 /nfs/dbraw/zinc/04/24/58/1073042458.db2.gz CUEKSLXJCJKWJY-UHFFFAOYSA-N 1 1 453.591 1.343 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4ccc(F)cc4)n3CCC(=O)N(C)C)C[C@@H]2C)CC1 ZINC001508274184 1073043166 /nfs/dbraw/zinc/04/31/66/1073043166.db2.gz QLMUFCACGVEAJS-AVRDEDQJSA-N 1 1 485.608 1.475 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCCNC(=O)C(C)C)C[C@H]2C)CC1 ZINC001508274669 1073043667 /nfs/dbraw/zinc/04/36/67/1073043667.db2.gz QXYVWIBLSRNVAP-DENIHFKCSA-N 1 1 482.633 1.491 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC(F)(F)F)C[C@@H]2C)CC1 ZINC001508274709 1073044369 /nfs/dbraw/zinc/04/43/69/1073044369.db2.gz RIHNBSVYTPNQQH-YJBOKZPZSA-N 1 1 451.497 1.815 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[C@H]3C[C@H](F)C3)C[C@@H]2C)CC1 ZINC001508274746 1073044947 /nfs/dbraw/zinc/04/49/47/1073044947.db2.gz RREZXHWZDNQQJT-HHUCQEJWSA-N 1 1 499.657 1.015 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)C)n3CCCc3cnn(C)c3)C[C@H]2C)CC1 ZINC001508274791 1073045182 /nfs/dbraw/zinc/04/51/82/1073045182.db2.gz RYWFBVVBDQHMCL-KNQAVFIVSA-N 1 1 456.639 1.832 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CCCc3cccc(C)n3)C[C@H]2C)CC1 ZINC001508275855 1073046951 /nfs/dbraw/zinc/04/69/51/1073046951.db2.gz UKNIESRADCURAH-AUSIDOKSSA-N 1 1 496.660 1.741 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCC(=O)NC3CC3)C[C@H]2C)CC1 ZINC001508276665 1073047283 /nfs/dbraw/zinc/04/72/83/1073047283.db2.gz VUQKIIBJKGZPND-NQIIRXRSSA-N 1 1 473.666 1.914 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C)n3C[C@@H](C)CNC(=O)OC(C)(C)C)C[C@H]2C)CC1 ZINC001508276182 1073047664 /nfs/dbraw/zinc/04/76/64/1073047664.db2.gz VUAQYHHNWKDEBW-SQGPQFPESA-N 1 1 463.627 1.736 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(-c4cnn(C)c4)n3CCCOC(F)F)C[C@H]2C)CC1 ZINC001508276834 1073049242 /nfs/dbraw/zinc/04/92/42/1073049242.db2.gz WJCAOSRJODDHQB-QAPCUYQASA-N 1 1 466.537 1.297 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(NC(N)=O)cc3)C[C@@H]2C)CC1 ZINC001508276859 1073049417 /nfs/dbraw/zinc/04/94/17/1073049417.db2.gz WREGQMDZPHVHTN-UWJYYQICSA-N 1 1 468.606 1.929 20 0 JDADMO CC(=O)N1CCN(CCn2c(CC(C)(C)C)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001508277130 1073049988 /nfs/dbraw/zinc/04/99/88/1073049988.db2.gz DYTRSQXKXAERLV-OAQYLSRUSA-N 1 1 461.655 1.189 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCOCCCO)C[C@@H]2C)CC1 ZINC001508277683 1073051865 /nfs/dbraw/zinc/05/18/65/1073051865.db2.gz YQTMUVBMCKZFLV-GHTZIAJQSA-N 1 1 476.647 1.318 20 0 JDADMO CC(=O)N1CC[NH+]([C@@H]2CN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001508278033 1073052707 /nfs/dbraw/zinc/05/27/07/1073052707.db2.gz ZXDIKYIDFGWLEV-DENIHFKCSA-N 1 1 497.644 1.907 20 0 JDADMO CC(=O)N1CC[NH+]([C@H]2CN(c3nnc(C(=O)Nc4ccc(C)c(C)c4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001508278037 1073052759 /nfs/dbraw/zinc/05/27/59/1073052759.db2.gz ZXDIKYIDFGWLEV-KNQAVFIVSA-N 1 1 497.644 1.907 20 0 JDADMO 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CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCOCC2 ZINC001502291749 1070030364 /nfs/dbraw/zinc/03/03/64/1070030364.db2.gz GTYXIGNYOAWEBI-QZTJIDSGSA-N 1 1 454.641 1.770 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001502291541 1070030741 /nfs/dbraw/zinc/03/07/41/1070030741.db2.gz CEUAZLLQNVYJLL-PKOBYXMFSA-N 1 1 484.667 1.885 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(C1)CCOCC2 ZINC001502291748 1070030914 /nfs/dbraw/zinc/03/09/14/1070030914.db2.gz GTYXIGNYOAWEBI-MSOLQXFVSA-N 1 1 454.641 1.770 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001502291796 1070031206 /nfs/dbraw/zinc/03/12/06/1070031206.db2.gz HSGQHXFXQICKQI-KSEOMHKRSA-N 1 1 488.681 1.280 20 0 JDADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001502292050 1070033117 /nfs/dbraw/zinc/03/31/17/1070033117.db2.gz LTZDCVUCDHBHNP-LUKYLMHMSA-N 1 1 478.685 1.021 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001502292050 1070033130 /nfs/dbraw/zinc/03/31/30/1070033130.db2.gz LTZDCVUCDHBHNP-LUKYLMHMSA-N 1 1 478.685 1.021 20 0 JDADMO CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 ZINC001478626441 1070033300 /nfs/dbraw/zinc/03/33/00/1070033300.db2.gz SKMHUNHPDGCNJB-DEOSSOPVSA-N 1 1 456.591 1.690 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502295717 1070037184 /nfs/dbraw/zinc/03/71/84/1070037184.db2.gz XJUVOMUXWHZVHU-IBGZPJMESA-N 1 1 470.622 1.331 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 ZINC001502292386 1070033515 /nfs/dbraw/zinc/03/35/15/1070033515.db2.gz QLOCWFGSMCGJSW-OKYOBFRVSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 ZINC001502292296 1070033665 /nfs/dbraw/zinc/03/36/65/1070033665.db2.gz OWLJEIFAIOESIP-FQEVSTJZSA-N 1 1 498.632 1.779 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001502292458 1070033829 /nfs/dbraw/zinc/03/38/29/1070033829.db2.gz RXXQKBQZPNQWFP-BMMZCLLGSA-N 1 1 454.641 1.360 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001502292635 1070034593 /nfs/dbraw/zinc/03/45/93/1070034593.db2.gz VCNGKRCYOVKZTM-UHOSZYNNSA-N 1 1 464.640 1.838 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001502292461 1070034926 /nfs/dbraw/zinc/03/49/26/1070034926.db2.gz RXXQKBQZPNQWFP-QJMCHDAVSA-N 1 1 454.641 1.360 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001502292571 1070035274 /nfs/dbraw/zinc/03/52/74/1070035274.db2.gz UJODVFVAABWPEI-UXHICEINSA-N 1 1 468.668 1.907 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001502292919 1070036120 /nfs/dbraw/zinc/03/61/20/1070036120.db2.gz ZGXUAKYNRKRJHZ-SFHVURJKSA-N 1 1 469.656 1.199 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001502292922 1070036184 /nfs/dbraw/zinc/03/61/84/1070036184.db2.gz ZHIZBLWUVSCGIE-RDGPPVDQSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502295718 1070036598 /nfs/dbraw/zinc/03/65/98/1070036598.db2.gz XJUVOMUXWHZVHU-LJQANCHMSA-N 1 1 470.622 1.331 20 0 JDADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001478676408 1070038945 /nfs/dbraw/zinc/03/89/45/1070038945.db2.gz CZUHCROOPIVZLY-ZWKOTPCHSA-N 1 1 452.621 1.324 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001502296666 1070038864 /nfs/dbraw/zinc/03/88/64/1070038864.db2.gz MGUJTMRGXBQEIR-RBUKOAKNSA-N 1 1 461.636 1.993 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O ZINC001502296759 1070038915 /nfs/dbraw/zinc/03/89/15/1070038915.db2.gz OEZGJKDTRYBCSS-DLBZAZTESA-N 1 1 476.651 1.813 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502296575 1070038955 /nfs/dbraw/zinc/03/89/55/1070038955.db2.gz KJOBVRGUDFTMDI-FQEVSTJZSA-N 1 1 482.633 1.696 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 ZINC001502296842 1070039414 /nfs/dbraw/zinc/03/94/14/1070039414.db2.gz PMIMCYYFTPZYSE-RTBURBONSA-N 1 1 454.641 1.722 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001502296941 1070039740 /nfs/dbraw/zinc/03/97/40/1070039740.db2.gz QZKJUSRHSSXNAN-FHWLQOOXSA-N 1 1 454.641 1.517 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 ZINC001502297077 1070040277 /nfs/dbraw/zinc/04/02/77/1070040277.db2.gz TVCXQHGFZKFYPA-VQTJNVASSA-N 1 1 484.667 1.348 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001502298803 1070041504 /nfs/dbraw/zinc/04/15/04/1070041504.db2.gz ZOWPELXVAXWMSQ-IBGZPJMESA-N 1 1 459.639 1.668 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001502296242 1070037953 /nfs/dbraw/zinc/03/79/53/1070037953.db2.gz FPGXWXSMFBHLBR-VAMGGRTRSA-N 1 1 469.652 1.686 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001502299611 1070042179 /nfs/dbraw/zinc/04/21/79/1070042179.db2.gz PAQKSMPWDQKJSX-FQEVSTJZSA-N 1 1 478.667 1.532 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001502299705 1070043314 /nfs/dbraw/zinc/04/33/14/1070043314.db2.gz QXUVOSCIXSWRBI-CTNGQTDRSA-N 1 1 456.591 1.991 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(N2C[C@@H](CC(=O)OC)[C@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502300535 1070044332 /nfs/dbraw/zinc/04/43/32/1070044332.db2.gz IHTKKSOSPDXQCM-DBYOASNMSA-N 1 1 479.622 1.553 20 0 JDADMO CC(C)(C)OC(=O)N1CCC2(C[C@@H](CNC(=O)NCC[N@H+]3CCCOCC3)OC2=O)CC1 ZINC001478727126 1070044371 /nfs/dbraw/zinc/04/43/71/1070044371.db2.gz LHRAHNZUSADGFI-KRWDZBQOSA-N 1 1 454.568 1.341 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001502300702 1070045387 /nfs/dbraw/zinc/04/53/87/1070045387.db2.gz LPDVXYLWIRZEFI-IHPCNDPISA-N 1 1 484.667 1.395 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001502298826 1070042370 /nfs/dbraw/zinc/04/23/70/1070042370.db2.gz ZZAADEYUJOTXML-SFTDATJTSA-N 1 1 482.695 1.982 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001502299418 1070042409 /nfs/dbraw/zinc/04/24/09/1070042409.db2.gz LOYBJTNNQUCNKC-LJQANCHMSA-N 1 1 474.654 1.905 20 0 JDADMO CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC[N@H+]1CC)[C@H]1CCS(=O)(=O)C1 ZINC001502299547 1070042486 /nfs/dbraw/zinc/04/24/86/1070042486.db2.gz ODEJGVRCLNKRKL-MSOLQXFVSA-N 1 1 452.625 1.288 20 0 JDADMO CCN1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001502303631 1070052004 /nfs/dbraw/zinc/05/20/04/1070052004.db2.gz FHOFIYWQADSOKB-RUZDIDTESA-N 1 1 486.617 1.866 20 0 JDADMO CCN1CCCN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@]2(O)CC[N@@H+](C)C2)CC1=O ZINC001502303632 1070052496 /nfs/dbraw/zinc/05/24/96/1070052496.db2.gz FHOFIYWQADSOKB-VWLOTQADSA-N 1 1 486.617 1.866 20 0 JDADMO NC(=O)c1cn(CCCCNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1 ZINC001478805349 1070055083 /nfs/dbraw/zinc/05/50/83/1070055083.db2.gz QAKZHSNDRGLATL-HZPDHXFCSA-N 1 1 453.469 1.519 20 0 JDADMO NC(=O)c1cn(CCCCNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)nn1 ZINC001478805349 1070055099 /nfs/dbraw/zinc/05/50/99/1070055099.db2.gz QAKZHSNDRGLATL-HZPDHXFCSA-N 1 1 453.469 1.519 20 0 JDADMO CCN1CCCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001502307715 1070060851 /nfs/dbraw/zinc/06/08/51/1070060851.db2.gz TXZFWBSDXDFNTR-IBGZPJMESA-N 1 1 459.639 1.970 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C)n3CCS(=O)(=O)c3ccccc3)CC2)CC1 ZINC001502308613 1070063577 /nfs/dbraw/zinc/06/35/77/1070063577.db2.gz BHCLKDSCEDUDOU-UHFFFAOYSA-N 1 1 488.658 1.831 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccc(C)o4)n3CCC(=O)NC)CC2)CC1 ZINC001502308590 1070063619 /nfs/dbraw/zinc/06/36/19/1070063619.db2.gz AODKHJYNACHUNI-UHFFFAOYSA-N 1 1 471.606 1.753 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCOC4)n3CCCCOC)CC2)CC1 ZINC001502309428 1070066556 /nfs/dbraw/zinc/06/65/56/1070066556.db2.gz FJIIMUXYGGECEW-OAQYLSRUSA-N 1 1 462.639 1.979 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(=O)NC(C)C)n3CCc3cn[nH]c3)CC2)CC1 ZINC001502308960 1070064026 /nfs/dbraw/zinc/06/40/26/1070064026.db2.gz PSAQLOPYNCXSRU-UHFFFAOYSA-N 1 1 485.637 1.153 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)OC)CC2)CC1 ZINC001502308757 1070064126 /nfs/dbraw/zinc/06/41/26/1070064126.db2.gz HWTBJXLTXGAPRG-SFHVURJKSA-N 1 1 463.627 1.222 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cnccn4)n3C[C@@H](COC)OC)CC2)CC1 ZINC001502309542 1070066722 /nfs/dbraw/zinc/06/67/22/1070066722.db2.gz HJIAQMAZMMSVRP-FQEVSTJZSA-N 1 1 486.621 1.167 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502309493 1070066830 /nfs/dbraw/zinc/06/68/30/1070066830.db2.gz GKSIUMCASISWLB-XDNAFOTISA-N 1 1 491.653 1.642 20 0 JDADMO CCN1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCN(CC[NH+](C)C)CC2)CC1=O ZINC001502309006 1070065329 /nfs/dbraw/zinc/06/53/29/1070065329.db2.gz RLXZTYDNDSAVCO-GMAHTHKFSA-N 1 1 491.681 1.334 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@@H](C3CCC3)C2)CC1 ZINC001502309265 1070065828 /nfs/dbraw/zinc/06/58/28/1070065828.db2.gz ASWXHZKJWPGGMK-SBHAEUEKSA-N 1 1 497.710 1.167 20 0 JDADMO CNC(=O)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)Cc1ccc(C(F)(F)F)cc1 ZINC001478917322 1070066872 /nfs/dbraw/zinc/06/68/72/1070066872.db2.gz ULJWVIHTCKTTAI-QXAKKESOSA-N 1 1 456.509 1.851 20 0 JDADMO CCN1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@H+]2CC)CC1=O ZINC001502308251 1070062398 /nfs/dbraw/zinc/06/23/98/1070062398.db2.gz MZBXXBXSVZDRJH-QGZVFWFLSA-N 1 1 459.620 1.813 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(CC4CC4)n3CCCC(=O)N(C)C)CC2)CC1 ZINC001502309550 1070068430 /nfs/dbraw/zinc/06/84/30/1070068430.db2.gz HOWXZRQQRISIEW-UHFFFAOYSA-N 1 1 473.666 1.870 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@H](C)OC)CC2)CC1 ZINC001502309903 1070068998 /nfs/dbraw/zinc/06/89/98/1070068998.db2.gz OLOFRCJSJDNLJK-PZJWPPBQSA-N 1 1 462.639 1.978 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001502310112 1070071306 /nfs/dbraw/zinc/07/13/06/1070071306.db2.gz SLIOJEAWDNAPHB-OTWHNJEPSA-N 1 1 455.673 1.541 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC001502309625 1070067921 /nfs/dbraw/zinc/06/79/21/1070067921.db2.gz JLZWKTKZCQGQGU-LJQANCHMSA-N 1 1 487.653 1.485 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCSC)CC2)CC1 ZINC001502309582 1070068192 /nfs/dbraw/zinc/06/81/92/1070068192.db2.gz IFFIHMITOVOJHT-IBGZPJMESA-N 1 1 477.679 1.753 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)C[C@H](C)C(=O)NC)CC1 ZINC001502310885 1070075608 /nfs/dbraw/zinc/07/56/08/1070075608.db2.gz IRXQIRATZPBTCB-IRXDYDNUSA-N 1 1 463.030 1.838 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310748 1070075668 /nfs/dbraw/zinc/07/56/68/1070075668.db2.gz FSSRGAAZSSXXGX-OALUTQOASA-N 1 1 485.633 1.690 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310325 1070073664 /nfs/dbraw/zinc/07/36/64/1070073664.db2.gz XJFNXCCQLDZQLO-HZPDHXFCSA-N 1 1 470.669 1.007 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310747 1070075888 /nfs/dbraw/zinc/07/58/88/1070075888.db2.gz FSSRGAAZSSXXGX-MOPGFXCFSA-N 1 1 485.633 1.690 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502310904 1070075952 /nfs/dbraw/zinc/07/59/52/1070075952.db2.gz IWSLCHOVJQGRHF-SFHVURJKSA-N 1 1 485.633 1.690 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502310621 1070074775 /nfs/dbraw/zinc/07/47/75/1070074775.db2.gz CTOPRMAQWQTGRZ-HNNXBMFYSA-N 1 1 479.427 1.340 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C)nnc2N2CCN(CC(=O)NC3CCC(C)CC3)CC2)CC1 ZINC001502310871 1070075327 /nfs/dbraw/zinc/07/53/27/1070075327.db2.gz IMHJWDQYCKWATG-QKDPSFTKSA-N 1 1 474.698 1.429 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001502310129 1070071508 /nfs/dbraw/zinc/07/15/08/1070071508.db2.gz SQIPHRBMBLANKY-AQNXPRMDSA-N 1 1 469.700 1.787 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502311291 1070078319 /nfs/dbraw/zinc/07/83/19/1070078319.db2.gz PVACOLYPOOOVQN-FQEVSTJZSA-N 1 1 489.690 1.831 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502311093 1070078907 /nfs/dbraw/zinc/07/89/07/1070078907.db2.gz MOPLNPQAUCMFGP-RBUKOAKNSA-N 1 1 485.633 1.655 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311334 1070079286 /nfs/dbraw/zinc/07/92/86/1070079286.db2.gz QPRLPQLRGUVOBV-SJORKVTESA-N 1 1 461.014 1.686 20 0 JDADMO COCC[N@@H+]1[C@H](C)CN(C(=O)NCc2nc(CNC(=O)OC(C)(C)C)cc(=O)[nH]2)C[C@@H]1C ZINC001479007382 1070079704 /nfs/dbraw/zinc/07/97/04/1070079704.db2.gz PBLCYHZDUNHARQ-GASCZTMLSA-N 1 1 452.556 1.458 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502311008 1070077145 /nfs/dbraw/zinc/07/71/45/1070077145.db2.gz KQMXFXJDCPXERH-SFHVURJKSA-N 1 1 479.651 1.344 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001502312886 1070084439 /nfs/dbraw/zinc/08/44/39/1070084439.db2.gz UQVDZURAHFAMPC-QZTJIDSGSA-N 1 1 483.587 1.777 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502312077 1070082076 /nfs/dbraw/zinc/08/20/76/1070082076.db2.gz FPAFBFGBZLUBHG-FQEVSTJZSA-N 1 1 454.623 1.671 20 0 JDADMO CS(=O)(=O)Nc1ccc(OCCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1 ZINC001479046201 1070082673 /nfs/dbraw/zinc/08/26/73/1070082673.db2.gz ZGGVYYLIULEWNK-RTBURBONSA-N 1 1 452.577 1.380 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312381 1070083182 /nfs/dbraw/zinc/08/31/82/1070083182.db2.gz LAPMFVPVAAPLEC-IBGZPJMESA-N 1 1 470.622 1.098 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001502312361 1070083461 /nfs/dbraw/zinc/08/34/61/1070083461.db2.gz KSASDQGBIBLFAS-DOTOQJQBSA-N 1 1 454.501 1.529 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@@H](C)C(F)(F)F)CC2)CC1 ZINC001502312885 1070084151 /nfs/dbraw/zinc/08/41/51/1070084151.db2.gz UQVDZURAHFAMPC-MSOLQXFVSA-N 1 1 483.587 1.777 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502312666 1070084962 /nfs/dbraw/zinc/08/49/62/1070084962.db2.gz PZDIHESHOKPFQH-UXHICEINSA-N 1 1 490.678 1.132 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312940 1070085986 /nfs/dbraw/zinc/08/59/86/1070085986.db2.gz VJFFGTUPOXPEJR-JKSUJKDBSA-N 1 1 464.018 1.279 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312939 1070086093 /nfs/dbraw/zinc/08/60/93/1070086093.db2.gz VJFFGTUPOXPEJR-HZPDHXFCSA-N 1 1 464.018 1.279 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001502313093 1070086641 /nfs/dbraw/zinc/08/66/41/1070086641.db2.gz XUHODVKRGMZPRS-GOSISDBHSA-N 1 1 455.611 1.208 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502313068 1070087204 /nfs/dbraw/zinc/08/72/04/1070087204.db2.gz XLZGLUJMDXZCHV-YPAWHYETSA-N 1 1 498.676 1.734 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313553 1070088748 /nfs/dbraw/zinc/08/87/48/1070088748.db2.gz GLMFHHJYSKHZKO-RBUKOAKNSA-N 1 1 473.588 1.882 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001502313715 1070089886 /nfs/dbraw/zinc/08/98/86/1070089886.db2.gz JNSZDMYRJDIZNF-LEWJYISDSA-N 1 1 475.682 1.720 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502313745 1070090457 /nfs/dbraw/zinc/09/04/57/1070090457.db2.gz KARBJXMPXQAMJY-NFBKMPQASA-N 1 1 499.660 1.245 20 0 JDADMO Cc1cccc(CN2CCO[C@H](CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134359 1070090893 /nfs/dbraw/zinc/09/08/93/1070090893.db2.gz VQXOYSQMXCXNGM-BJKOFHAPSA-N 1 1 459.635 1.292 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502313875 1070091238 /nfs/dbraw/zinc/09/12/38/1070091238.db2.gz LUAOEOKNZNAIMQ-GOSISDBHSA-N 1 1 467.684 1.480 20 0 JDADMO Cc1cccc(CN2CCO[C@@H](CNC(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)c1 ZINC001479134361 1070091372 /nfs/dbraw/zinc/09/13/72/1070091372.db2.gz VQXOYSQMXCXNGM-RPWUZVMVSA-N 1 1 459.635 1.292 20 0 JDADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)CC1 ZINC001479146858 1070093892 /nfs/dbraw/zinc/09/38/92/1070093892.db2.gz OSGJITXEISNIEE-NRFANRHFSA-N 1 1 452.621 1.699 20 0 JDADMO CCCS(=O)(=O)N1CCC(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3C)CCO2)CC1 ZINC001479146858 1070093907 /nfs/dbraw/zinc/09/39/07/1070093907.db2.gz OSGJITXEISNIEE-NRFANRHFSA-N 1 1 452.621 1.699 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502314459 1070093324 /nfs/dbraw/zinc/09/33/24/1070093324.db2.gz WABFBTLXPDDZMQ-IBGZPJMESA-N 1 1 469.634 1.605 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314404 1070093624 /nfs/dbraw/zinc/09/36/24/1070093624.db2.gz UWNXYBOMYSZJTI-UXHICEINSA-N 1 1 481.711 1.173 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502315060 1070096710 /nfs/dbraw/zinc/09/67/10/1070096710.db2.gz GNUMKNHDKPSECL-FSSWDIPSSA-N 1 1 474.654 1.406 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314978 1070096873 /nfs/dbraw/zinc/09/68/73/1070096873.db2.gz DYWYAXHZGZCHKN-PKOBYXMFSA-N 1 1 474.679 1.622 20 0 JDADMO CCN1CC[NH+](CC(C)(C)NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC001479160009 1070096855 /nfs/dbraw/zinc/09/68/55/1070096855.db2.gz QRUGGPRBMISXNF-GOSISDBHSA-N 1 1 453.628 1.425 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502315062 1070096965 /nfs/dbraw/zinc/09/69/65/1070096965.db2.gz GNUMKNHDKPSECL-YPAWHYETSA-N 1 1 474.654 1.406 20 0 JDADMO CCN1CC[NH+](CC(C)(C)NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 ZINC001479160010 1070097508 /nfs/dbraw/zinc/09/75/08/1070097508.db2.gz QRUGGPRBMISXNF-SFHVURJKSA-N 1 1 453.628 1.425 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502315393 1070100222 /nfs/dbraw/zinc/10/02/22/1070100222.db2.gz NEKGVYAECMIWSO-IFMALSPDSA-N 1 1 468.650 1.642 20 0 JDADMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)nc1 ZINC001479178038 1070100448 /nfs/dbraw/zinc/10/04/48/1070100448.db2.gz PLOZICRZAJERHX-LEWJYISDSA-N 1 1 458.607 1.547 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502315395 1070100888 /nfs/dbraw/zinc/10/08/88/1070100888.db2.gz NEKGVYAECMIWSO-RBBKRZOGSA-N 1 1 468.650 1.642 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502315617 1070103803 /nfs/dbraw/zinc/10/38/03/1070103803.db2.gz RJPAVOFVFJMENQ-IBGZPJMESA-N 1 1 455.607 1.679 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502315655 1070103997 /nfs/dbraw/zinc/10/39/97/1070103997.db2.gz RZQUVUZAJYHOGK-FQEVSTJZSA-N 1 1 454.623 1.349 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502316082 1070109431 /nfs/dbraw/zinc/10/94/31/1070109431.db2.gz YZIMFFQQZWPRKH-OPYAIIAOSA-N 1 1 477.679 1.900 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502316101 1070110008 /nfs/dbraw/zinc/11/00/08/1070110008.db2.gz ZKMNPACFPNANCF-CJFMBICVSA-N 1 1 453.635 1.791 20 0 JDADMO CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]3CCC[N@H+]31)O2 ZINC001479234015 1070110447 /nfs/dbraw/zinc/11/04/47/1070110447.db2.gz GDQRMOCJUOSRCA-DHKQVSIOSA-N 1 1 453.580 1.181 20 0 JDADMO C[C@@H]1C[N@@H+](CCN(C)C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C[C@H](C)O1 ZINC001479247915 1070111607 /nfs/dbraw/zinc/11/16/07/1070111607.db2.gz DEPVSQIIBWLLIX-IYBDPMFKSA-N 1 1 451.572 1.321 20 0 JDADMO C[C@@H]1C[N@H+](CCN(C)C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C[C@H](C)O1 ZINC001479247915 1070111614 /nfs/dbraw/zinc/11/16/14/1070111614.db2.gz DEPVSQIIBWLLIX-IYBDPMFKSA-N 1 1 451.572 1.321 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502316104 1070112317 /nfs/dbraw/zinc/11/23/17/1070112317.db2.gz ZKMNPACFPNANCF-NLFFAJNJSA-N 1 1 453.635 1.791 20 0 JDADMO C[C@]12CN(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001479282384 1070117106 /nfs/dbraw/zinc/11/71/06/1070117106.db2.gz QIGIBXSNYPXUQJ-GJZUVCINSA-N 1 1 463.582 1.583 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C ZINC001502317327 1070119382 /nfs/dbraw/zinc/11/93/82/1070119382.db2.gz FMZJQFHWPKGRCP-SFHVURJKSA-N 1 1 489.646 1.343 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCn2cncn2)C[C@H]1C ZINC001502317692 1070121219 /nfs/dbraw/zinc/12/12/19/1070121219.db2.gz LSAAGHPYZMQIEH-MRXNPFEDSA-N 1 1 457.970 1.684 20 0 JDADMO Cc1ccc(NCCNC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)[nH+]c1 ZINC001479291441 1070121976 /nfs/dbraw/zinc/12/19/76/1070121976.db2.gz OPLXNKLNLINDIY-INIZCTEOSA-N 1 1 455.581 1.525 20 0 JDADMO CCn1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)c1=O ZINC001502317628 1070122118 /nfs/dbraw/zinc/12/21/18/1070122118.db2.gz KRBKWQKATHKKEQ-KRWDZBQOSA-N 1 1 450.547 1.686 20 0 JDADMO 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CCN1CC[NH+]([C@H]2CCN(c3nnc(CC4CCCC4)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001502335113 1070193809 /nfs/dbraw/zinc/19/38/09/1070193809.db2.gz AMWAFGUIAXXIQU-NRFANRHFSA-N 1 1 481.711 1.555 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001502335388 1070194725 /nfs/dbraw/zinc/19/47/25/1070194725.db2.gz HRDJPRDXVRLWMW-LJQANCHMSA-N 1 1 482.695 1.023 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502335487 1070195577 /nfs/dbraw/zinc/19/55/77/1070195577.db2.gz KFYUSJIVYSGLPY-SFHVURJKSA-N 1 1 455.673 1.022 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4CCCOC4)n3CCSCCCO)C2)CC1 ZINC001502335546 1070195905 /nfs/dbraw/zinc/19/59/05/1070195905.db2.gz LHGDTCWYSVODDN-PMACEKPBSA-N 1 1 452.669 1.504 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CCSCCCO)C2)CC1 ZINC001502335549 1070195961 /nfs/dbraw/zinc/19/59/61/1070195961.db2.gz LHGDTCWYSVODDN-WOJBJXKFSA-N 1 1 452.669 1.504 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001502335476 1070196129 /nfs/dbraw/zinc/19/61/29/1070196129.db2.gz JXTOVKILYQFIQU-NZQKXSOJSA-N 1 1 462.664 1.934 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCNS(=O)(=O)CC)C2)CC1 ZINC001502335486 1070196161 /nfs/dbraw/zinc/19/61/61/1070196161.db2.gz KFYUSJIVYSGLPY-GOSISDBHSA-N 1 1 455.673 1.022 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC001502335687 1070197596 /nfs/dbraw/zinc/19/75/96/1070197596.db2.gz NYPPDXIHVIEXOM-WOJBJXKFSA-N 1 1 467.684 1.117 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336117 1070198862 /nfs/dbraw/zinc/19/88/62/1070198862.db2.gz VMUCLUNQADIISO-UXHICEINSA-N 1 1 477.654 1.865 20 0 JDADMO Cc1noc(C2(C)CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001493068656 1070199040 /nfs/dbraw/zinc/19/90/40/1070199040.db2.gz GRPNREGAJDXOPX-JKSUJKDBSA-N 1 1 480.639 1.622 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336119 1070199277 /nfs/dbraw/zinc/19/92/77/1070199277.db2.gz VMUCLUNQADIISO-WOJBJXKFSA-N 1 1 477.654 1.865 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502336340 1070200530 /nfs/dbraw/zinc/20/05/30/1070200530.db2.gz YCRHYINRNMLOMM-OAQYLSRUSA-N 1 1 471.625 1.996 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCC(=O)NC(C)C)C2)CC1 ZINC001502336168 1070200691 /nfs/dbraw/zinc/20/06/91/1070200691.db2.gz WLJQCSLHSMIGLL-OAQYLSRUSA-N 1 1 454.623 1.395 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001502337424 1070203698 /nfs/dbraw/zinc/20/36/98/1070203698.db2.gz HUVLLCLVUYCHGI-PZJWPPBQSA-N 1 1 485.681 1.937 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccnn3C)CC2)CC1 ZINC001502337271 1070201994 /nfs/dbraw/zinc/20/19/94/1070201994.db2.gz FLINWBNPNLXZLZ-FQEVSTJZSA-N 1 1 485.681 1.807 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3CCOC(C)C)C2)CC1 ZINC001502337279 1070202964 /nfs/dbraw/zinc/20/29/64/1070202964.db2.gz FRBJYTFWNVMUBB-IBGZPJMESA-N 1 1 475.663 1.911 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCc3c2cnn3C)CC1 ZINC001502337425 1070204351 /nfs/dbraw/zinc/20/43/51/1070204351.db2.gz HUVLLCLVUYCHGI-TZIWHRDSSA-N 1 1 485.681 1.937 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC001502337552 1070205775 /nfs/dbraw/zinc/20/57/75/1070205775.db2.gz KDJLZYKOBCBCMT-FQEVSTJZSA-N 1 1 460.671 1.076 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001502337483 1070205834 /nfs/dbraw/zinc/20/58/34/1070205834.db2.gz IXJHQHMECZDYFF-IPJJNNNSSA-N 1 1 485.699 1.167 20 0 JDADMO Cc1noc([C@@H]2CCCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493100890 1070206136 /nfs/dbraw/zinc/20/61/36/1070206136.db2.gz MZXJIJJKDLRDGZ-GOEBONIOSA-N 1 1 454.601 1.304 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC=C(C)CC2)CC1 ZINC001502337757 1070209473 /nfs/dbraw/zinc/20/94/73/1070209473.db2.gz NKCDKWQQFBMBNK-RTBURBONSA-N 1 1 453.657 1.318 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3C[C@H](OC)C(C)C)C2)CC1 ZINC001502337717 1070209750 /nfs/dbraw/zinc/20/97/50/1070209750.db2.gz MUMWJILGNDKNOI-CMOCDZPBSA-N 1 1 464.655 1.889 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3C[C@H](OC)C(C)C)C2)CC1 ZINC001502337719 1070210210 /nfs/dbraw/zinc/21/02/10/1070210210.db2.gz MUMWJILGNDKNOI-LRSLUSHPSA-N 1 1 464.655 1.889 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001502338140 1070211876 /nfs/dbraw/zinc/21/18/76/1070211876.db2.gz RTJDCQNONNFJII-UXHICEINSA-N 1 1 461.655 1.791 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)CC1 ZINC001502338304 1070213558 /nfs/dbraw/zinc/21/35/58/1070213558.db2.gz URRSEXLRUBVBHB-PLACYPQZSA-N 1 1 461.655 1.409 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cccn3)CC2)CC1 ZINC001502338303 1070213654 /nfs/dbraw/zinc/21/36/54/1070213654.db2.gz URMJGYSMDFCFTB-OAQYLSRUSA-N 1 1 485.681 1.803 20 0 JDADMO CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC001502338368 1070214538 /nfs/dbraw/zinc/21/45/38/1070214538.db2.gz VOPYPOXXGIYCGS-FQEVSTJZSA-N 1 1 471.654 1.548 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001502338482 1070215097 /nfs/dbraw/zinc/21/50/97/1070215097.db2.gz WKFSRXAHWKYSTM-MHTWAQMVSA-N 1 1 497.710 1.167 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001502338483 1070215961 /nfs/dbraw/zinc/21/59/61/1070215961.db2.gz WKFSRXAHWKYSTM-NCYKPQTJSA-N 1 1 497.710 1.167 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502340246 1070219020 /nfs/dbraw/zinc/21/90/20/1070219020.db2.gz FKRAKUUILXHFCR-WOJBJXKFSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001502340250 1070219286 /nfs/dbraw/zinc/21/92/86/1070219286.db2.gz FMBUOLXZPDJNQN-QGZVFWFLSA-N 1 1 482.555 1.902 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001502340589 1070221091 /nfs/dbraw/zinc/22/10/91/1070221091.db2.gz HPRHXTGSCPPOPS-CTNGQTDRSA-N 1 1 469.638 1.361 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502340909 1070222979 /nfs/dbraw/zinc/22/29/79/1070222979.db2.gz KSGJJROSUOHOSS-IFMALSPDSA-N 1 1 470.666 1.862 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502340957 1070223200 /nfs/dbraw/zinc/22/32/00/1070223200.db2.gz LNOGBXQBFQLSGK-FQEVSTJZSA-N 1 1 499.660 1.904 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001546278028 1070223253 /nfs/dbraw/zinc/22/32/53/1070223253.db2.gz UAZZEVYKFKDJAG-PNCHPQGNSA-N 1 1 479.647 1.744 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546278028 1070223289 /nfs/dbraw/zinc/22/32/89/1070223289.db2.gz UAZZEVYKFKDJAG-PNCHPQGNSA-N 1 1 479.647 1.744 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502341119 1070224457 /nfs/dbraw/zinc/22/44/57/1070224457.db2.gz OIKDEHLMUIDLIL-ACRUOGEOSA-N 1 1 457.623 1.854 20 0 JDADMO Cc1nsc(N2CCCN(c3nnc([C@@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001493165505 1070224647 /nfs/dbraw/zinc/22/46/47/1070224647.db2.gz LBSNCELFSIYNAA-KRWDZBQOSA-N 1 1 461.640 1.836 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502341307 1070224911 /nfs/dbraw/zinc/22/49/11/1070224911.db2.gz SOSDMEKASRDSOG-ROUUACIJSA-N 1 1 475.041 1.934 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502341448 1070228293 /nfs/dbraw/zinc/22/82/93/1070228293.db2.gz WGDRGQXEUNHYJM-FUHWJXTLSA-N 1 1 461.014 1.579 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001546278029 1070228714 /nfs/dbraw/zinc/22/87/14/1070228714.db2.gz UAZZEVYKFKDJAG-STSQHVNTSA-N 1 1 479.647 1.744 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001546278029 1070228744 /nfs/dbraw/zinc/22/87/44/1070228744.db2.gz UAZZEVYKFKDJAG-STSQHVNTSA-N 1 1 479.647 1.744 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502342659 1070229064 /nfs/dbraw/zinc/22/90/64/1070229064.db2.gz BOKOEALUHWBTMM-VXKWHMMOSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502342657 1070229411 /nfs/dbraw/zinc/22/94/11/1070229411.db2.gz BOKOEALUHWBTMM-FCHUYYIVSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342870 1070231680 /nfs/dbraw/zinc/23/16/80/1070231680.db2.gz FXIPNTFAVIXZNX-PXNSSMCTSA-N 1 1 457.627 1.181 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502343261 1070233663 /nfs/dbraw/zinc/23/36/63/1070233663.db2.gz MEYUDBZYPMJWIY-FQEVSTJZSA-N 1 1 471.625 1.950 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502343135 1070234284 /nfs/dbraw/zinc/23/42/84/1070234284.db2.gz KABVEXVDBYFLIX-NRFANRHFSA-N 1 1 482.677 1.912 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343104 1070234530 /nfs/dbraw/zinc/23/45/30/1070234530.db2.gz JRQIAJOIBWLJAO-NHCUHLMSSA-N 1 1 488.681 1.198 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502343136 1070234696 /nfs/dbraw/zinc/23/46/96/1070234696.db2.gz KABVEXVDBYFLIX-OAQYLSRUSA-N 1 1 482.677 1.912 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343330 1070236271 /nfs/dbraw/zinc/23/62/71/1070236271.db2.gz NGDNJUUKQVCEGS-WOJBJXKFSA-N 1 1 454.623 1.204 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502343327 1070236460 /nfs/dbraw/zinc/23/64/60/1070236460.db2.gz NGDNJUUKQVCEGS-PMACEKPBSA-N 1 1 454.623 1.204 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343423 1070239021 /nfs/dbraw/zinc/23/90/21/1070239021.db2.gz OQXCWQIKRMYOGL-RBBKRZOGSA-N 1 1 461.655 1.852 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493181669 1070239141 /nfs/dbraw/zinc/23/91/41/1070239141.db2.gz YZBVNQDIMGCYAV-QYZOEREBSA-N 1 1 461.611 1.129 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502343430 1070239427 /nfs/dbraw/zinc/23/94/27/1070239427.db2.gz OSTYJJSFMYJYQJ-UGKGYDQZSA-N 1 1 453.635 1.763 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493182532 1070241102 /nfs/dbraw/zinc/24/11/02/1070241102.db2.gz DPCJRAMSROJIRE-BXKMTCNYSA-N 1 1 491.637 1.126 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502343837 1070246174 /nfs/dbraw/zinc/24/61/74/1070246174.db2.gz VOJNOCHDYBGBST-FNZWTVRRSA-N 1 1 483.661 1.853 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001502344065 1070248561 /nfs/dbraw/zinc/24/85/61/1070248561.db2.gz XTRLNAVPLSMZBT-IBGZPJMESA-N 1 1 474.654 1.271 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502343918 1070248658 /nfs/dbraw/zinc/24/86/58/1070248658.db2.gz WQYWSZVEWRMPCX-UGKGYDQZSA-N 1 1 487.624 1.233 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502345566 1070250122 /nfs/dbraw/zinc/25/01/22/1070250122.db2.gz CIQYMQHHOTVIPS-VQTJNVASSA-N 1 1 487.624 1.937 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493199316 1070254105 /nfs/dbraw/zinc/25/41/05/1070254105.db2.gz AJJSLNPBGJVLIV-XDNAFOTISA-N 1 1 483.683 1.312 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502346008 1070254272 /nfs/dbraw/zinc/25/42/72/1070254272.db2.gz IEKWLSHHDKIWGH-RTBURBONSA-N 1 1 459.664 1.871 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001502346195 1070254655 /nfs/dbraw/zinc/25/46/55/1070254655.db2.gz JQQKMWJAORJCCV-RDPSFJRHSA-N 1 1 461.655 1.679 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493201069 1070255302 /nfs/dbraw/zinc/25/53/02/1070255302.db2.gz GKZLRRXDRMPEQG-OYRHEFFESA-N 1 1 483.665 1.702 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@](C)(C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502346209 1070255447 /nfs/dbraw/zinc/25/54/47/1070255447.db2.gz JTDYLNYKJAGMAD-KSNOWIBYSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCNC(=O)C2)CC1 ZINC001502346278 1070256285 /nfs/dbraw/zinc/25/62/85/1070256285.db2.gz KKJUDZBAQYZMOB-QKNQBKEWSA-N 1 1 461.655 1.407 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502346266 1070256786 /nfs/dbraw/zinc/25/67/86/1070256786.db2.gz KFCMRUQYWSDBKF-CTNGQTDRSA-N 1 1 461.655 1.236 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCS(=O)CC2)C1 ZINC001493204057 1070257929 /nfs/dbraw/zinc/25/79/29/1070257929.db2.gz OEZYOWNMJUYORH-HDICACEKSA-N 1 1 450.653 1.839 20 0 JDADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493211142 1070260261 /nfs/dbraw/zinc/26/02/61/1070260261.db2.gz BEIXVCFDGMWONQ-MHORFTMASA-N 1 1 468.668 1.855 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502347206 1070263344 /nfs/dbraw/zinc/26/33/44/1070263344.db2.gz WEEDKBAVAJYTCM-NTKDMRAZSA-N 1 1 454.623 1.239 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001493217975 1070263405 /nfs/dbraw/zinc/26/34/05/1070263405.db2.gz RTJVCCWFKYYFMJ-YRPNKDGESA-N 1 1 498.694 1.593 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001493219417 1070262609 /nfs/dbraw/zinc/26/26/09/1070262609.db2.gz XTZFNIUFSKBIKI-CEXWTWQISA-N 1 1 480.679 1.780 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502347281 1070263435 /nfs/dbraw/zinc/26/34/35/1070263435.db2.gz XJGQLFJCRLLKED-AQNXPRMDSA-N 1 1 489.690 1.750 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502348926 1070264062 /nfs/dbraw/zinc/26/40/62/1070264062.db2.gz HIZKPDBTQSIHOG-LJQANCHMSA-N 1 1 473.597 1.911 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)CC1 ZINC001502348779 1070264353 /nfs/dbraw/zinc/26/43/53/1070264353.db2.gz CERWZPJKFZRZIT-UHFFFAOYSA-N 1 1 452.669 1.942 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2Cc3ccccc3C2)CC1 ZINC001502349425 1070268100 /nfs/dbraw/zinc/26/81/00/1070268100.db2.gz XVYQTJZQGWWBHZ-LJQANCHMSA-N 1 1 475.663 1.826 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263987 1070268147 /nfs/dbraw/zinc/26/81/47/1070268147.db2.gz BWPHNEXHKSVZCA-IVDHNXQLSA-N 1 1 495.694 1.219 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493263970 1070268337 /nfs/dbraw/zinc/26/83/37/1070268337.db2.gz BOIBZKXWDLOKPF-BGYRXZFFSA-N 1 1 495.694 1.240 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001502349092 1070266454 /nfs/dbraw/zinc/26/64/54/1070266454.db2.gz NAKLSFLPXNYROX-SFHVURJKSA-N 1 1 463.652 1.849 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502349305 1070267020 /nfs/dbraw/zinc/26/70/20/1070267020.db2.gz SURWGRNNJUZFAQ-OAQYLSRUSA-N 1 1 460.671 1.137 20 0 JDADMO CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493249229 1070267027 /nfs/dbraw/zinc/26/70/27/1070267027.db2.gz VZUXRWKSYFKQPU-JSXRDJHFSA-N 1 1 498.694 1.450 20 0 JDADMO CC(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493249234 1070267342 /nfs/dbraw/zinc/26/73/42/1070267342.db2.gz VZUXRWKSYFKQPU-PLACYPQZSA-N 1 1 498.694 1.450 20 0 JDADMO C[C@@H]1C[C@H](C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001493249243 1070267389 /nfs/dbraw/zinc/26/73/89/1070267389.db2.gz WABNULOSHXWJOE-OTWHNJEPSA-N 1 1 452.625 1.355 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502349304 1070267390 /nfs/dbraw/zinc/26/73/90/1070267390.db2.gz SURWGRNNJUZFAQ-NRFANRHFSA-N 1 1 460.671 1.137 20 0 JDADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263516 1070267847 /nfs/dbraw/zinc/26/78/47/1070267847.db2.gz QEZJPHVHKPCOGS-BGYRXZFFSA-N 1 1 477.654 1.469 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](OCC(C)C)C2)CC1 ZINC001502352449 1070273117 /nfs/dbraw/zinc/27/31/17/1070273117.db2.gz CDAYSZXUWRKNQO-OAQYLSRUSA-N 1 1 461.655 1.793 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502350808 1070269119 /nfs/dbraw/zinc/26/91/19/1070269119.db2.gz DDYRFTBRZIPHER-UHFFFAOYSA-N 1 1 478.638 1.661 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493263102 1070268862 /nfs/dbraw/zinc/26/88/62/1070268862.db2.gz OVHHZOROOUUFHL-QHAWAJNXSA-N 1 1 461.655 1.695 20 0 JDADMO CCN1CCCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CC[NH+](CC)CC2)CC1=O ZINC001502350972 1070269181 /nfs/dbraw/zinc/26/91/81/1070269181.db2.gz IAXAAHPTZCVCMJ-UHFFFAOYSA-N 1 1 457.627 1.155 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502351094 1070269950 /nfs/dbraw/zinc/26/99/50/1070269950.db2.gz LCZXSSWKFSYKHT-HXUWFJFHSA-N 1 1 452.669 1.977 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001493264193 1070270036 /nfs/dbraw/zinc/27/00/36/1070270036.db2.gz CKPHQXCKLXAZHZ-WOZUAGRISA-N 1 1 498.694 1.594 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264209 1070270114 /nfs/dbraw/zinc/27/01/14/1070270114.db2.gz SIIUDCKSNAYSNY-GLDPYIMESA-N 1 1 459.639 1.891 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502351131 1070270249 /nfs/dbraw/zinc/27/02/49/1070270249.db2.gz LXWFKZPJMBPDOB-OAQYLSRUSA-N 1 1 456.639 1.996 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502351023 1070270883 /nfs/dbraw/zinc/27/08/83/1070270883.db2.gz JKPLINXOEQIKTH-HXUWFJFHSA-N 1 1 490.674 1.995 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264742 1070270971 /nfs/dbraw/zinc/27/09/71/1070270971.db2.gz VBTGXDNEPOIDRK-HCXYKTFWSA-N 1 1 483.683 1.313 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnccn3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001493265479 1070271252 /nfs/dbraw/zinc/27/12/52/1070271252.db2.gz XSTLMBURCOPGDO-BGYRXZFFSA-N 1 1 470.622 1.788 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC[C@@H](NC(=O)C(C)C)C2)CC1 ZINC001502351513 1070273501 /nfs/dbraw/zinc/27/35/01/1070273501.db2.gz YVWIQUIFTJDZEO-OAQYLSRUSA-N 1 1 483.665 1.894 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502352483 1070273390 /nfs/dbraw/zinc/27/33/90/1070273390.db2.gz DKYYSASRBZVMRW-UHFFFAOYSA-N 1 1 482.677 1.986 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502351386 1070271944 /nfs/dbraw/zinc/27/19/44/1070271944.db2.gz USMBCARRKBGTNW-UHFFFAOYSA-N 1 1 497.692 1.276 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001502351398 1070272126 /nfs/dbraw/zinc/27/21/26/1070272126.db2.gz UYZOZSMAORFRIU-HXUWFJFHSA-N 1 1 452.669 1.977 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268175 1070273474 /nfs/dbraw/zinc/27/34/74/1070273474.db2.gz YLWQYMMPWVLMGA-RUIUOMPFSA-N 1 1 498.694 1.641 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502352606 1070275650 /nfs/dbraw/zinc/27/56/50/1070275650.db2.gz IPLPQHLJRUFXMZ-RBUKOAKNSA-N 1 1 454.641 1.171 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)C1 ZINC001493277735 1070276073 /nfs/dbraw/zinc/27/60/73/1070276073.db2.gz ZODCDGUZHYISFV-WCIQWLHISA-N 1 1 484.667 1.204 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3ccc[nH]3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493276370 1070276767 /nfs/dbraw/zinc/27/67/67/1070276767.db2.gz WJGGRTVBKVLTFB-BGYRXZFFSA-N 1 1 456.639 1.851 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001502352850 1070277282 /nfs/dbraw/zinc/27/72/82/1070277282.db2.gz QGWRDLSKHVIHSV-GOSISDBHSA-N 1 1 487.571 1.586 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001502352974 1070278550 /nfs/dbraw/zinc/27/85/50/1070278550.db2.gz UFXWIYIDJPIWLZ-HXUWFJFHSA-N 1 1 471.654 1.827 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001502352958 1070278833 /nfs/dbraw/zinc/27/88/33/1070278833.db2.gz TVZLDMSJUJCGDZ-HXUWFJFHSA-N 1 1 475.638 1.208 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC001502353086 1070280090 /nfs/dbraw/zinc/28/00/90/1070280090.db2.gz YAGFZXUSBHAMTH-UHFFFAOYSA-N 1 1 495.632 1.729 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(Cc3cc(C)on3)CC2)CC1 ZINC001502353183 1070280470 /nfs/dbraw/zinc/28/04/70/1070280470.db2.gz ZKGZEXZFUIUOCU-UHFFFAOYSA-N 1 1 487.653 1.063 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](C)(C(=O)NC)C2)CC1 ZINC001502354283 1070282814 /nfs/dbraw/zinc/28/28/14/1070282814.db2.gz FTNIRKOQNYASJH-HSZRJFAPSA-N 1 1 475.041 1.984 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502354259 1070281775 /nfs/dbraw/zinc/28/17/75/1070281775.db2.gz DUPICDGSDFIHRQ-UHFFFAOYSA-N 1 1 493.678 1.734 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502354838 1070283694 /nfs/dbraw/zinc/28/36/94/1070283694.db2.gz OQHNOQJJHABBOD-UHFFFAOYSA-N 1 1 477.057 1.790 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2C2CCC2)CC1 ZINC001502354776 1070283749 /nfs/dbraw/zinc/28/37/49/1070283749.db2.gz NKDUZEJVOULLDR-UYAOXDASSA-N 1 1 467.684 1.685 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502355169 1070286317 /nfs/dbraw/zinc/28/63/17/1070286317.db2.gz UAJRGPIUVFQAHR-OTWHNJEPSA-N 1 1 455.673 1.398 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001502355014 1070286512 /nfs/dbraw/zinc/28/65/12/1070286512.db2.gz RGQFQTQYYJQGAL-UXHICEINSA-N 1 1 469.700 1.788 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001493313602 1070288040 /nfs/dbraw/zinc/28/80/40/1070288040.db2.gz OHNGIFXCGBHQPS-XCDZQEORSA-N 1 1 454.641 1.766 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502357942 1070292585 /nfs/dbraw/zinc/29/25/85/1070292585.db2.gz GRGKIGGIDAUILA-RBBKRZOGSA-N 1 1 457.623 1.532 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502356344 1070289515 /nfs/dbraw/zinc/28/95/15/1070289515.db2.gz MSQAEWNOBCPXTN-SFTDATJTSA-N 1 1 457.623 1.916 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502356144 1070289853 /nfs/dbraw/zinc/28/98/53/1070289853.db2.gz KTPKCKYNNFGSQN-UHFFFAOYSA-N 1 1 490.678 1.194 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356971 1070291215 /nfs/dbraw/zinc/29/12/15/1070291215.db2.gz UZIINVIXRUXQQM-UHFFFAOYSA-N 1 1 455.611 1.138 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001493326802 1070291809 /nfs/dbraw/zinc/29/18/09/1070291809.db2.gz JBQGEQCQNJDRBD-WOZUAGRISA-N 1 1 498.694 1.735 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001493326799 1070291880 /nfs/dbraw/zinc/29/18/80/1070291880.db2.gz JBQGEQCQNJDRBD-SFHLNBCPSA-N 1 1 498.694 1.735 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001502358314 1070294570 /nfs/dbraw/zinc/29/45/70/1070294570.db2.gz JQZDGDPLHYGDLQ-OAQYLSRUSA-N 1 1 455.607 1.545 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502358758 1070297735 /nfs/dbraw/zinc/29/77/35/1070297735.db2.gz PXZFGWIDOKKHSY-HXUWFJFHSA-N 1 1 454.623 1.383 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502358714 1070295838 /nfs/dbraw/zinc/29/58/38/1070295838.db2.gz PFMZKWGYNBZQHY-UHFFFAOYSA-N 1 1 457.598 1.737 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C3CCCC3)n2CCS(C)(=O)=O)CC1 ZINC001493438112 1070302446 /nfs/dbraw/zinc/30/24/46/1070302446.db2.gz QNHSYDFYAOJSQG-KDURUIRLSA-N 1 1 452.669 1.975 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001502359088 1070299353 /nfs/dbraw/zinc/29/93/53/1070299353.db2.gz VFVVIEFHUSPYFH-UHFFFAOYSA-N 1 1 482.677 1.930 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)CC1 ZINC001502359196 1070299514 /nfs/dbraw/zinc/29/95/14/1070299514.db2.gz YERDAFPDPSREMI-OAQYLSRUSA-N 1 1 477.654 1.724 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccncc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502359254 1070300034 /nfs/dbraw/zinc/30/00/34/1070300034.db2.gz ZOTGDJSSGZTKCT-DEOSSOPVSA-N 1 1 454.623 1.254 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502359489 1070300104 /nfs/dbraw/zinc/30/01/04/1070300104.db2.gz AAGRCILAKQSMOX-NRFANRHFSA-N 1 1 471.654 1.224 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC(=O)N(C)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502360373 1070302602 /nfs/dbraw/zinc/30/26/02/1070302602.db2.gz LORRPRWEBDADEX-RDPSFJRHSA-N 1 1 477.654 1.013 20 0 JDADMO 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CCN1CC[NH+](CCCn2c(CN3CCCC3=O)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001502361074 1070304725 /nfs/dbraw/zinc/30/47/25/1070304725.db2.gz ZRTIMQKBNPOFGR-OAQYLSRUSA-N 1 1 461.655 1.681 20 0 JDADMO CCn1nc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC[NH+]2CCCC2)c2ccccc2c1=O ZINC001502361443 1070304886 /nfs/dbraw/zinc/30/48/86/1070304886.db2.gz FYHLETLHHPWRRU-KRWDZBQOSA-N 1 1 487.630 1.640 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001493481616 1070306415 /nfs/dbraw/zinc/30/64/15/1070306415.db2.gz VZTLVABLXWKBTD-JLAWEPINSA-N 1 1 466.652 1.552 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001493527407 1070312051 /nfs/dbraw/zinc/31/20/51/1070312051.db2.gz MLMRPJYNAPTWCQ-XWSJACJDSA-N 1 1 456.657 1.750 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001493527408 1070312210 /nfs/dbraw/zinc/31/22/10/1070312210.db2.gz MLMRPJYNAPTWCQ-YDZRNGNQSA-N 1 1 456.657 1.750 20 0 JDADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001493546999 1070313054 /nfs/dbraw/zinc/31/30/54/1070313054.db2.gz SWYLFVNNKKQKDM-AQNXPRMDSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001493546999 1070313073 /nfs/dbraw/zinc/31/30/73/1070313073.db2.gz SWYLFVNNKKQKDM-AQNXPRMDSA-N 1 1 498.694 1.737 20 0 JDADMO CC1CCC(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3C[C@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001493492705 1070308574 /nfs/dbraw/zinc/30/85/74/1070308574.db2.gz YVFNSUSUVHSEDY-FGJIOPLASA-N 1 1 475.682 1.459 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502368304 1070316087 /nfs/dbraw/zinc/31/60/87/1070316087.db2.gz HZWQIFSKIROQSZ-BGYRXZFFSA-N 1 1 490.697 1.573 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)C1 ZINC001493646710 1070323449 /nfs/dbraw/zinc/32/34/49/1070323449.db2.gz DBADOJOCFZMAKN-KZNAEPCWSA-N 1 1 452.625 1.365 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502378175 1070322834 /nfs/dbraw/zinc/32/28/34/1070322834.db2.gz VBABPHSTYLUYGW-GHTZIAJQSA-N 1 1 499.664 1.220 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502378178 1070322899 /nfs/dbraw/zinc/32/28/99/1070322899.db2.gz VBABPHSTYLUYGW-WIYYLYMNSA-N 1 1 499.664 1.220 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502378176 1070322981 /nfs/dbraw/zinc/32/29/81/1070322981.db2.gz VBABPHSTYLUYGW-NQIIRXRSSA-N 1 1 499.664 1.220 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)C1 ZINC001493646705 1070323967 /nfs/dbraw/zinc/32/39/67/1070323967.db2.gz CXEPLGKZJOKUOH-UXHICEINSA-N 1 1 480.679 1.926 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 ZINC001493649432 1070324568 /nfs/dbraw/zinc/32/45/68/1070324568.db2.gz 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COc1ccccc1[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504392872 1071128796 /nfs/dbraw/zinc/12/87/96/1071128796.db2.gz IQGRJVZZBFTOSZ-TVTNDZMWSA-N 1 1 478.619 1.305 20 0 JDADMO CCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001503181731 1071128991 /nfs/dbraw/zinc/12/89/91/1071128991.db2.gz NHDWQHJSTBMOQG-HBMCJLEFSA-N 1 1 482.695 1.602 20 0 JDADMO COc1ccccc1[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504392873 1071128990 /nfs/dbraw/zinc/12/89/90/1071128990.db2.gz IQGRJVZZBFTOSZ-ZJBJCVSYSA-N 1 1 478.619 1.305 20 0 JDADMO CCOCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503182153 1071130577 /nfs/dbraw/zinc/13/05/77/1071130577.db2.gz YROVVWCYGBGZRY-OALUTQOASA-N 1 1 480.610 1.534 20 0 JDADMO CCOCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503182153 1071130587 /nfs/dbraw/zinc/13/05/87/1071130587.db2.gz YROVVWCYGBGZRY-OALUTQOASA-N 1 1 480.610 1.534 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504404221 1071138031 /nfs/dbraw/zinc/13/80/31/1071138031.db2.gz XSUVVBNYFPKDQY-DEOSSOPVSA-N 1 1 456.591 1.426 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC(CCC(N)=O)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504404222 1071138114 /nfs/dbraw/zinc/13/81/14/1071138114.db2.gz XSUVVBNYFPKDQY-XMMPIXPASA-N 1 1 456.591 1.426 20 0 JDADMO CCOCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503199054 1071142437 /nfs/dbraw/zinc/14/24/37/1071142437.db2.gz JDLDVUFYLBLRDB-XLIONFOSSA-N 1 1 463.627 1.222 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001504406123 1071142544 /nfs/dbraw/zinc/14/25/44/1071142544.db2.gz IBLZUEHIFWXMCR-VQTJNVASSA-N 1 1 456.591 1.546 20 0 JDADMO CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001503199953 1071144387 /nfs/dbraw/zinc/14/43/87/1071144387.db2.gz AERQIGZLZCUMGT-HOTGVXAUSA-N 1 1 456.638 1.870 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001504406955 1071145242 /nfs/dbraw/zinc/14/52/42/1071145242.db2.gz MZHFQIAADUMCCD-YADARESESA-N 1 1 456.591 1.426 20 0 JDADMO CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+](CCOC)[C@@H](C)C1 ZINC001503201530 1071145258 /nfs/dbraw/zinc/14/52/58/1071145258.db2.gz CKICVKAFGNFFQH-KRWDZBQOSA-N 1 1 451.593 1.542 20 0 JDADMO CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC001503201337 1071145529 /nfs/dbraw/zinc/14/55/29/1071145529.db2.gz RRLFLIMWNJYOHX-MRXNPFEDSA-N 1 1 454.572 1.386 20 0 JDADMO CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503203998 1071149049 /nfs/dbraw/zinc/14/90/49/1071149049.db2.gz JNHBWBNGWLTWTN-NQIIRXRSSA-N 1 1 486.617 1.988 20 0 JDADMO CCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210584 1071154918 /nfs/dbraw/zinc/15/49/18/1071154918.db2.gz LFDSYKMQQZYTSH-OXQOHEQNSA-N 1 1 461.636 1.659 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001504410248 1071154986 /nfs/dbraw/zinc/15/49/86/1071154986.db2.gz QHVMXSZWYZVGGA-OAQYLSRUSA-N 1 1 491.658 1.738 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1CC ZINC001503215454 1071163215 /nfs/dbraw/zinc/16/32/15/1071163215.db2.gz GAODIQJKYSMOIK-DLBZAZTESA-N 1 1 458.554 1.778 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C[C@H]1CC ZINC001503216164 1071164407 /nfs/dbraw/zinc/16/44/07/1071164407.db2.gz BAEQTECPKDPRRF-HBMCJLEFSA-N 1 1 468.668 1.728 20 0 JDADMO CCOCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)C[C@H]1CC ZINC001503215780 1071165243 /nfs/dbraw/zinc/16/52/43/1071165243.db2.gz JMZKYVOWGSTSEU-OAQYLSRUSA-N 1 1 461.655 1.937 20 0 JDADMO CCOCCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCC[N@H+]2CC)CC1 ZINC001503216690 1071166238 /nfs/dbraw/zinc/16/62/38/1071166238.db2.gz PIWVCIODEVPLJC-HXUWFJFHSA-N 1 1 470.622 1.958 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCN(C(C)=O)CC2)CC1 ZINC001503218026 1071169235 /nfs/dbraw/zinc/16/92/35/1071169235.db2.gz GILLBBGEZBENKD-UHFFFAOYSA-N 1 1 485.633 1.276 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CCn2cncn2)CC1 ZINC001503218242 1071169513 /nfs/dbraw/zinc/16/95/13/1071169513.db2.gz ZWTRKARNIPEGKG-UHFFFAOYSA-N 1 1 478.399 1.496 20 0 JDADMO COc1ccccc1CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001504417537 1071169835 /nfs/dbraw/zinc/16/98/35/1071169835.db2.gz RCPAQZOLOFMEQD-FQEVSTJZSA-N 1 1 480.635 1.596 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)CC1 ZINC001503218643 1071170358 /nfs/dbraw/zinc/17/03/58/1071170358.db2.gz FTBGQARTKVJSLG-UHFFFAOYSA-N 1 1 456.595 1.795 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001503220875 1071174498 /nfs/dbraw/zinc/17/44/98/1071174498.db2.gz YXQZFCOFACYHKJ-GOSISDBHSA-N 1 1 471.528 1.695 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCC(=O)N(C)C)CC1 ZINC001503219769 1071173595 /nfs/dbraw/zinc/17/35/95/1071173595.db2.gz FPYOCHKUUASUKP-UHFFFAOYSA-N 1 1 496.616 1.312 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001503221664 1071177891 /nfs/dbraw/zinc/17/78/91/1071177891.db2.gz CRWKQYBJQVRHNG-NTKDMRAZSA-N 1 1 459.591 1.576 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001503221661 1071177994 /nfs/dbraw/zinc/17/79/94/1071177994.db2.gz CRWKQYBJQVRHNG-DVECYGJZSA-N 1 1 459.591 1.576 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001503222051 1071179448 /nfs/dbraw/zinc/17/94/48/1071179448.db2.gz FKBXUYXTEQPNTQ-UHFFFAOYSA-N 1 1 469.615 1.940 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1CC ZINC001503221948 1071179523 /nfs/dbraw/zinc/17/95/23/1071179523.db2.gz DYUYISOILNVQQW-HBMCJLEFSA-N 1 1 498.694 1.881 20 0 JDADMO CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222073 1071179569 /nfs/dbraw/zinc/17/95/69/1071179569.db2.gz WOVVXPSFSJJTRC-LEWJYISDSA-N 1 1 461.655 1.756 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001504421393 1071175380 /nfs/dbraw/zinc/17/53/80/1071175380.db2.gz WZXXWELUWAFUAZ-ICSRJNTNSA-N 1 1 456.591 1.969 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1CC ZINC001503221210 1071175643 /nfs/dbraw/zinc/17/56/43/1071175643.db2.gz QMPMYLRSGZEZNH-LOKHSYKPSA-N 1 1 466.652 1.468 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)C[C@@H]1CC ZINC001503221210 1071175650 /nfs/dbraw/zinc/17/56/50/1071175650.db2.gz QMPMYLRSGZEZNH-LOKHSYKPSA-N 1 1 466.652 1.468 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001504421395 1071175551 /nfs/dbraw/zinc/17/55/51/1071175551.db2.gz WZXXWELUWAFUAZ-UYAOXDASSA-N 1 1 456.591 1.969 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001503220983 1071175831 /nfs/dbraw/zinc/17/58/31/1071175831.db2.gz NUEHTBREADZDEW-UHFFFAOYSA-N 1 1 453.551 1.239 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@@H](C)CC)CC1 ZINC001503221487 1071176697 /nfs/dbraw/zinc/17/66/97/1071176697.db2.gz SOWJYUDVVIFMPN-GAJHUEQPSA-N 1 1 462.595 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)[C@H](C)CC)CC1 ZINC001503221493 1071176732 /nfs/dbraw/zinc/17/67/32/1071176732.db2.gz SOWJYUDVVIFMPN-UZUQRXQVSA-N 1 1 462.595 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)[C@@H](C)CC)CC1 ZINC001503221491 1071176764 /nfs/dbraw/zinc/17/67/64/1071176764.db2.gz SOWJYUDVVIFMPN-SBUREZEXSA-N 1 1 462.595 1.961 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001503221540 1071176791 /nfs/dbraw/zinc/17/67/91/1071176791.db2.gz CAGMADSZJILMLY-LJQANCHMSA-N 1 1 463.604 1.392 20 0 JDADMO CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222079 1071181101 /nfs/dbraw/zinc/18/11/01/1071181101.db2.gz WOVVXPSFSJJTRC-RTWAWAEBSA-N 1 1 461.655 1.756 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1CC ZINC001503222203 1071181363 /nfs/dbraw/zinc/18/13/63/1071181363.db2.gz GDDCJSXVUYMDJL-ZCNNSNEGSA-N 1 1 484.667 1.001 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)CC1 ZINC001504424853 1071181907 /nfs/dbraw/zinc/18/19/07/1071181907.db2.gz WDQVHVNCDRBIIG-IBGZPJMESA-N 1 1 499.641 1.971 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)CC1 ZINC001504424855 1071183199 /nfs/dbraw/zinc/18/31/99/1071183199.db2.gz WDQVHVNCDRBIIG-LJQANCHMSA-N 1 1 499.641 1.971 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)CC1 ZINC001503224400 1071191624 /nfs/dbraw/zinc/19/16/24/1071191624.db2.gz ZVYWBTWHDMUHSP-UHFFFAOYSA-N 1 1 468.649 1.124 20 0 JDADMO 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1.898 20 0 JDADMO C[NH+](C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1)c1ccccc1 ZINC001503384943 1071642660 /nfs/dbraw/zinc/64/26/60/1071642660.db2.gz YEDPOYIZRVQCMF-RTBURBONSA-N 1 1 460.604 1.185 20 0 JDADMO COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504759010 1071651085 /nfs/dbraw/zinc/65/10/85/1071651085.db2.gz XJNRMAKSXXXZIE-LEDOBFOHSA-N 1 1 450.628 1.253 20 0 JDADMO COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001504758191 1071648912 /nfs/dbraw/zinc/64/89/12/1071648912.db2.gz FRTXZNIPMSYKSI-DVECYGJZSA-N 1 1 458.607 1.741 20 0 JDADMO COCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504759678 1071652277 /nfs/dbraw/zinc/65/22/77/1071652277.db2.gz ZTKOGUHBPAIMIN-GBXCKJPGSA-N 1 1 464.655 1.564 20 0 JDADMO COCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504759682 1071652325 /nfs/dbraw/zinc/65/23/25/1071652325.db2.gz ZTKOGUHBPAIMIN-RDPSFJRHSA-N 1 1 464.655 1.564 20 0 JDADMO COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504760157 1071653355 /nfs/dbraw/zinc/65/33/55/1071653355.db2.gz YUDPNBUBTNXBHO-VGOFRKELSA-N 1 1 465.982 1.915 20 0 JDADMO COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504760157 1071653360 /nfs/dbraw/zinc/65/33/60/1071653360.db2.gz YUDPNBUBTNXBHO-VGOFRKELSA-N 1 1 465.982 1.915 20 0 JDADMO Cn1cc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CC2CCN(CC[NH+](C)C)CC2)cn1 ZINC001503397640 1071656898 /nfs/dbraw/zinc/65/68/98/1071656898.db2.gz AZIIYCJGQCGSIA-UHFFFAOYSA-N 1 1 471.654 1.434 20 0 JDADMO COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001504761427 1071656287 /nfs/dbraw/zinc/65/62/87/1071656287.db2.gz VVFMSKGRVNRYAO-VWLOTQADSA-N 1 1 470.618 1.900 20 0 JDADMO COCC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001504761975 1071657434 /nfs/dbraw/zinc/65/74/34/1071657434.db2.gz TYNARHZFKNIIFE-VWLOTQADSA-N 1 1 482.633 1.724 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001503399089 1071658790 /nfs/dbraw/zinc/65/87/90/1071658790.db2.gz PIPSLEKQXYZROO-HXUWFJFHSA-N 1 1 492.694 1.312 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)CC1 ZINC001503400942 1071662667 /nfs/dbraw/zinc/66/26/67/1071662667.db2.gz FIMBHFCOTQVNHR-KRWDZBQOSA-N 1 1 487.571 1.396 20 0 JDADMO COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCC1 ZINC001504763360 1071660267 /nfs/dbraw/zinc/66/02/67/1071660267.db2.gz FLCASKJQGRTGQB-HXUWFJFHSA-N 1 1 489.665 1.756 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001503399990 1071660504 /nfs/dbraw/zinc/66/05/04/1071660504.db2.gz WUFYDBPVKMUQST-UHFFFAOYSA-N 1 1 469.638 1.491 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001503400648 1071662253 /nfs/dbraw/zinc/66/22/53/1071662253.db2.gz DOHWEOZSKWAPMS-FQEVSTJZSA-N 1 1 457.598 1.593 20 0 JDADMO CN(c1nnc(-c2ccc[nH]2)n1CC1CCN(CC[NH+](C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC001503398421 1071657407 /nfs/dbraw/zinc/65/74/07/1071657407.db2.gz HVNJNYYKNGQLHZ-UHFFFAOYSA-N 1 1 492.694 1.407 20 0 JDADMO CN(C[C@H]1CCCN(c2nnc(C(C)(C)C)n2CC2CCN(CC[NH+](C)C)CC2)C1)S(C)(=O)=O ZINC001503401335 1071663458 /nfs/dbraw/zinc/66/34/58/1071663458.db2.gz JUKKRKPRUTVYIL-OAQYLSRUSA-N 1 1 497.754 1.957 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(Cc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001503401356 1071663478 /nfs/dbraw/zinc/66/34/78/1071663478.db2.gz KAICYDGTTNUCLO-UHFFFAOYSA-N 1 1 478.638 1.516 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(N3CCN(c4ncccn4)CC3)nnc2C(C)(C)C)CC1 ZINC001503401498 1071663931 /nfs/dbraw/zinc/66/39/31/1071663931.db2.gz MIXGMITYOYZXGQ-UHFFFAOYSA-N 1 1 455.655 1.966 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(CC3CC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001503401639 1071665188 /nfs/dbraw/zinc/66/51/88/1071665188.db2.gz OVXXVTIKYNWPFO-HXUWFJFHSA-N 1 1 452.669 1.518 20 0 JDADMO CN(CC1COC(C)(C)OC1)c1nnc(CN2CCCC2=O)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001503401974 1071665792 /nfs/dbraw/zinc/66/57/92/1071665792.db2.gz WMNKEJABOKJMBC-UHFFFAOYSA-N 1 1 491.681 1.509 20 0 JDADMO C[NH+](C)CCN1CCC(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001503401982 1071665895 /nfs/dbraw/zinc/66/58/95/1071665895.db2.gz WORAVDWBPNMSRS-FQEVSTJZSA-N 1 1 454.623 1.239 20 0 JDADMO COCC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001504779570 1071668973 /nfs/dbraw/zinc/66/89/73/1071668973.db2.gz BXQMZBPSBOZIEA-TUFLPTIASA-N 1 1 498.694 1.594 20 0 JDADMO COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001504783929 1071671531 /nfs/dbraw/zinc/67/15/31/1071671531.db2.gz XFEUQHNLFKQWPS-YESZJQIVSA-N 1 1 451.597 1.210 20 0 JDADMO CCc1ccccc1OCc1nnc(N2C[C@H]3CCC[N@H+]3C[C@@H]2C)n1CCS(=O)(=O)NC ZINC001546290999 1071672718 /nfs/dbraw/zinc/67/27/18/1071672718.db2.gz ABWUEUPVELDGQG-PKOBYXMFSA-N 1 1 462.620 1.642 20 0 JDADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(Nc3ccn(C)n3)n2CC[N@@H+]2CCOC(C)(C)C2)c1 ZINC001503406168 1071679008 /nfs/dbraw/zinc/67/90/08/1071679008.db2.gz ZTJRZHSONRILJM-UHFFFAOYSA-N 1 1 488.618 1.783 20 0 JDADMO CN(C)S(=O)(=O)c1cccc(-c2nnc(Nc3ccn(C)n3)n2CC[N@H+]2CCOC(C)(C)C2)c1 ZINC001503406168 1071679013 /nfs/dbraw/zinc/67/90/13/1071679013.db2.gz ZTJRZHSONRILJM-UHFFFAOYSA-N 1 1 488.618 1.783 20 0 JDADMO COCCCCn1c(CN2CCCC2=O)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001504803879 1071681260 /nfs/dbraw/zinc/68/12/60/1071681260.db2.gz KYNZIKGHUJHXOS-UHFFFAOYSA-N 1 1 461.655 1.822 20 0 JDADMO COCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC001504803097 1071680577 /nfs/dbraw/zinc/68/05/77/1071680577.db2.gz UFHJQIQTPHZHIH-FBBABVLZSA-N 1 1 458.611 1.909 20 0 JDADMO COCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001504808491 1071682363 /nfs/dbraw/zinc/68/23/63/1071682363.db2.gz SYBREZPIBPLONF-LEWJYISDSA-N 1 1 456.591 1.993 20 0 JDADMO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001504814529 1071686414 /nfs/dbraw/zinc/68/64/14/1071686414.db2.gz VYWQAEVYMKSIAX-ROUUACIJSA-N 1 1 472.656 1.204 20 0 JDADMO COCCC[N@@H+](C)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 ZINC001504811464 1071682836 /nfs/dbraw/zinc/68/28/36/1071682836.db2.gz DZUOETVWYWUOGY-UHFFFAOYSA-N 1 1 457.579 1.442 20 0 JDADMO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001504811450 1071683006 /nfs/dbraw/zinc/68/30/06/1071683006.db2.gz DLYUFJHGUVJQDA-IBGZPJMESA-N 1 1 461.611 1.074 20 0 JDADMO COCCC[N@@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(c2nccs2)CC1 ZINC001504812049 1071683491 /nfs/dbraw/zinc/68/34/91/1071683491.db2.gz XYEMJXWSYXVRRQ-UHFFFAOYSA-N 1 1 476.651 1.656 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504812388 1071684104 /nfs/dbraw/zinc/68/41/04/1071684104.db2.gz CYAYJHMJLUNVSL-CQSZACIVSA-N 1 1 468.400 1.671 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504812387 1071684260 /nfs/dbraw/zinc/68/42/60/1071684260.db2.gz CYAYJHMJLUNVSL-AWEZNQCLSA-N 1 1 468.400 1.671 20 0 JDADMO CN(C)S(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001503407633 1071686918 /nfs/dbraw/zinc/68/69/18/1071686918.db2.gz OSPGLLGNEJKSBU-HXUWFJFHSA-N 1 1 480.610 1.872 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001504814981 1071686965 /nfs/dbraw/zinc/68/69/65/1071686965.db2.gz ISHBSITZRZTLQE-UHFFFAOYSA-N 1 1 450.609 1.303 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001504814668 1071687029 /nfs/dbraw/zinc/68/70/29/1071687029.db2.gz BVNIWYZZDMNONC-UHFFFAOYSA-N 1 1 458.611 1.939 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2F)CC1 ZINC001504814993 1071687076 /nfs/dbraw/zinc/68/70/76/1071687076.db2.gz JCALFSARNMEBGP-UHFFFAOYSA-N 1 1 457.558 1.508 20 0 JDADMO COCCC[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCCN(C(C)=O)CC1 ZINC001504815137 1071687584 /nfs/dbraw/zinc/68/75/84/1071687584.db2.gz NQBWKMPSUARKJN-UHFFFAOYSA-N 1 1 496.616 1.219 20 0 JDADMO COCCC[N@@H+](C)CCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001504816107 1071689528 /nfs/dbraw/zinc/68/95/28/1071689528.db2.gz GVQRPXREASFNFS-UHFFFAOYSA-N 1 1 487.580 1.497 20 0 JDADMO COCCC[N@@H+](C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001504816409 1071691053 /nfs/dbraw/zinc/69/10/53/1071691053.db2.gz JVPPRXMMEABTMB-QRVBRYPASA-N 1 1 493.653 1.684 20 0 JDADMO COCCCN(c1nnc([C@H]2CCCCO2)n1CC[NH+]1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001504816637 1071693378 /nfs/dbraw/zinc/69/33/78/1071693378.db2.gz LLTPGUFDYGWTEN-RTBURBONSA-N 1 1 455.625 1.646 20 0 JDADMO COCCC[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001504817026 1071695364 /nfs/dbraw/zinc/69/53/64/1071695364.db2.gz OIDDVSCZJKXKAM-HXUWFJFHSA-N 1 1 457.579 1.455 20 0 JDADMO 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Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001465001914 1067725290 /nfs/dbraw/zinc/72/52/90/1067725290.db2.gz LZOBOXSHDRMZQD-HNNXBMFYSA-N 1 1 453.513 1.977 20 0 JDADMO Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001465001914 1067725295 /nfs/dbraw/zinc/72/52/95/1067725295.db2.gz LZOBOXSHDRMZQD-HNNXBMFYSA-N 1 1 453.513 1.977 20 0 JDADMO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001465003795 1067726411 /nfs/dbraw/zinc/72/64/11/1067726411.db2.gz RXGNCCKMIYVQHG-QGZVFWFLSA-N 1 1 452.577 1.808 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc(C(C)C)nc21 ZINC001465005004 1067726433 /nfs/dbraw/zinc/72/64/33/1067726433.db2.gz SNTJEJOTLLUFHN-INIZCTEOSA-N 1 1 456.591 1.929 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)cc(C(C)C)nc21 ZINC001465005004 1067726441 /nfs/dbraw/zinc/72/64/41/1067726441.db2.gz SNTJEJOTLLUFHN-INIZCTEOSA-N 1 1 456.591 1.929 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC001465015116 1067727977 /nfs/dbraw/zinc/72/79/77/1067727977.db2.gz VHURQZRIUFPLLI-HXUWFJFHSA-N 1 1 450.605 1.534 20 0 JDADMO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001465024086 1067729687 /nfs/dbraw/zinc/72/96/87/1067729687.db2.gz XGTTXJWGUXSDSP-MOPGFXCFSA-N 1 1 451.637 1.607 20 0 JDADMO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001465024086 1067729692 /nfs/dbraw/zinc/72/96/92/1067729692.db2.gz XGTTXJWGUXSDSP-MOPGFXCFSA-N 1 1 451.637 1.607 20 0 JDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)c2nnc(C)s2)c1 ZINC001465063450 1067737053 /nfs/dbraw/zinc/73/70/53/1067737053.db2.gz LKNFVMYUSVJNAO-UHFFFAOYSA-N 1 1 452.606 1.881 20 0 JDADMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)C1 ZINC001465074333 1067738376 /nfs/dbraw/zinc/73/83/76/1067738376.db2.gz PLXJUPLLBXJTSI-SFHVURJKSA-N 1 1 454.637 1.896 20 0 JDADMO C[C@@H](NC(=O)CCC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(=O)c1ccc(Br)cc1 ZINC001465080460 1067740336 /nfs/dbraw/zinc/74/03/36/1067740336.db2.gz ZIEADCKBKQAEEZ-PBHICJAKSA-N 1 1 453.381 1.279 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(C)(C)N3C(=O)c4ccccc4C3=O)CC2)CC1 ZINC001465085860 1067741325 /nfs/dbraw/zinc/74/13/25/1067741325.db2.gz MEOTTXIOWCHNGL-UHFFFAOYSA-N 1 1 454.571 1.854 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H](Cc3ccccc3)n3nnnc3C)CC2)CC1 ZINC001465085605 1067741450 /nfs/dbraw/zinc/74/14/50/1067741450.db2.gz BKOXYSJROUDUJA-QFIPXVFZSA-N 1 1 453.591 1.558 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H](Cc3ccccc3)n3nnnc3C)CC2)CC1 ZINC001465085604 1067741626 /nfs/dbraw/zinc/74/16/26/1067741626.db2.gz BKOXYSJROUDUJA-JOCHJYFZSA-N 1 1 453.591 1.558 20 0 JDADMO C[C@H]1CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)CC[N@@H+]1C ZINC001465104179 1067745630 /nfs/dbraw/zinc/74/56/30/1067745630.db2.gz LOKXWCAEHPKAML-ZDUSSCGKSA-N 1 1 457.369 1.912 20 0 JDADMO C[C@H]1CN(C(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)CC[N@H+]1C ZINC001465104179 1067745643 /nfs/dbraw/zinc/74/56/43/1067745643.db2.gz LOKXWCAEHPKAML-ZDUSSCGKSA-N 1 1 457.369 1.912 20 0 JDADMO CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001465134876 1067748481 /nfs/dbraw/zinc/74/84/81/1067748481.db2.gz HOGQZXZMGMOKLF-AWEZNQCLSA-N 1 1 459.410 1.209 20 0 JDADMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001465135172 1067749215 /nfs/dbraw/zinc/74/92/15/1067749215.db2.gz RMMQDHQCAPJRNK-HOYKHHGWSA-N 1 1 457.575 1.009 20 0 JDADMO COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001465135175 1067749282 /nfs/dbraw/zinc/74/92/82/1067749282.db2.gz RMMQDHQCAPJRNK-UUOWRZLLSA-N 1 1 457.575 1.009 20 0 JDADMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC001465137130 1067749741 /nfs/dbraw/zinc/74/97/41/1067749741.db2.gz OUMZDQXOZXLMTE-UHFFFAOYSA-N 1 1 451.593 1.537 20 0 JDADMO CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)N2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001465138781 1067750948 /nfs/dbraw/zinc/75/09/48/1067750948.db2.gz LJVDUPLCYQTJRS-JPYJTQIMSA-N 1 1 479.647 1.969 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)CC2)cc1OC ZINC001465149976 1067753660 /nfs/dbraw/zinc/75/36/60/1067753660.db2.gz VXIXCDMBUHFRKW-IBGZPJMESA-N 1 1 451.589 1.848 20 0 JDADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001465152119 1067754328 /nfs/dbraw/zinc/75/43/28/1067754328.db2.gz YBMHTSSJHSWZCN-GUDVDZBRSA-N 1 1 452.596 1.556 20 0 JDADMO C[C@@H]1CN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001465152121 1067754355 /nfs/dbraw/zinc/75/43/55/1067754355.db2.gz YBMHTSSJHSWZCN-QRVBRYPASA-N 1 1 452.596 1.556 20 0 JDADMO Cc1nc(S(=O)(=O)NCC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cn1C ZINC001465177052 1067756868 /nfs/dbraw/zinc/75/68/68/1067756868.db2.gz WPLBEOJJSFHXAE-INIZCTEOSA-N 1 1 459.494 1.416 20 0 JDADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001465193364 1067758555 /nfs/dbraw/zinc/75/85/55/1067758555.db2.gz MWCYPWFVMAOZNL-OKZBNKHCSA-N 1 1 450.605 1.565 20 0 JDADMO O=C(CCCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC001465202831 1067760045 /nfs/dbraw/zinc/76/00/45/1067760045.db2.gz CNVXXUKMBCQKKW-AREMUKBSSA-N 1 1 450.583 1.869 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001465207979 1067761488 /nfs/dbraw/zinc/76/14/88/1067761488.db2.gz URGNMAFHYRBEKJ-LPHOPBHVSA-N 1 1 453.609 1.626 20 0 JDADMO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001465249573 1067768191 /nfs/dbraw/zinc/76/81/91/1067768191.db2.gz CCCBYMKIGOCZLK-KRWDZBQOSA-N 1 1 451.589 1.674 20 0 JDADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001465258295 1067768419 /nfs/dbraw/zinc/76/84/19/1067768419.db2.gz VBBRSCKIWYDVKG-MSOLQXFVSA-N 1 1 458.584 1.575 20 0 JDADMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccccc1CN1C(=O)CNC1=O ZINC001465292571 1067772981 /nfs/dbraw/zinc/77/29/81/1067772981.db2.gz PVNGRDFSJWFVGA-DEOSSOPVSA-N 1 1 451.527 1.839 20 0 JDADMO C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC001465293799 1067773956 /nfs/dbraw/zinc/77/39/56/1067773956.db2.gz RTCYHPYDEYQURP-IAGOWNOFSA-N 1 1 457.616 1.499 20 0 JDADMO C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@@H+]1C ZINC001465293799 1067773978 /nfs/dbraw/zinc/77/39/78/1067773978.db2.gz RTCYHPYDEYQURP-IAGOWNOFSA-N 1 1 457.616 1.499 20 0 JDADMO C[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1CN(C)CC[N@H+]1C ZINC001465293799 1067773983 /nfs/dbraw/zinc/77/39/83/1067773983.db2.gz RTCYHPYDEYQURP-IAGOWNOFSA-N 1 1 457.616 1.499 20 0 JDADMO C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001465343887 1067784015 /nfs/dbraw/zinc/78/40/15/1067784015.db2.gz NFOQHBINYLRQQN-GWJPWWOOSA-N 1 1 458.559 1.008 20 0 JDADMO C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001465343887 1067784036 /nfs/dbraw/zinc/78/40/36/1067784036.db2.gz NFOQHBINYLRQQN-GWJPWWOOSA-N 1 1 458.559 1.008 20 0 JDADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC001465350498 1067784371 /nfs/dbraw/zinc/78/43/71/1067784371.db2.gz BWYAGCUZQAMZCH-HSZRJFAPSA-N 1 1 459.587 1.935 20 0 JDADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC001465350499 1067784692 /nfs/dbraw/zinc/78/46/92/1067784692.db2.gz BWYAGCUZQAMZCH-QHCPKHFHSA-N 1 1 459.587 1.935 20 0 JDADMO O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cccc(Nc3ncccn3)c2)CC1 ZINC001465350871 1067785137 /nfs/dbraw/zinc/78/51/37/1067785137.db2.gz SIZNMZLVIUVWHO-UHFFFAOYSA-N 1 1 452.559 1.911 20 0 JDADMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2=O ZINC001465424708 1067797853 /nfs/dbraw/zinc/79/78/53/1067797853.db2.gz GXDPVABILIUPDS-AYCKEJKLSA-N 1 1 456.587 1.876 20 0 JDADMO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)NC[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)C2=O ZINC001465424711 1067798427 /nfs/dbraw/zinc/79/84/27/1067798427.db2.gz GXDPVABILIUPDS-ZYKLXPEUSA-N 1 1 456.587 1.876 20 0 JDADMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCc1cn(C(C)C)c(=O)[nH]c1=O ZINC001465436355 1067800788 /nfs/dbraw/zinc/80/07/88/1067800788.db2.gz ORAODFJGKOKIHP-UHFFFAOYSA-N 1 1 458.519 1.248 20 0 JDADMO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1=O ZINC001465471916 1067803245 /nfs/dbraw/zinc/80/32/45/1067803245.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 1 1 457.619 1.584 20 0 JDADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1=O ZINC001465471916 1067803248 /nfs/dbraw/zinc/80/32/48/1067803248.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 1 1 457.619 1.584 20 0 JDADMO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1=O ZINC001465471915 1067803300 /nfs/dbraw/zinc/80/33/00/1067803300.db2.gz DCEHZVULBFIWKE-RBBKRZOGSA-N 1 1 457.619 1.584 20 0 JDADMO 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COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H]1C ZINC001473389415 1069136330 /nfs/dbraw/zinc/13/63/30/1069136330.db2.gz ONLDRVGPCNPGSF-YYAJDYIMSA-N 1 1 453.561 1.306 20 0 JDADMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)[C@@H]1C ZINC001473389415 1069136338 /nfs/dbraw/zinc/13/63/38/1069136338.db2.gz ONLDRVGPCNPGSF-YYAJDYIMSA-N 1 1 453.561 1.306 20 0 JDADMO CCn1c(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001473389570 1069136424 /nfs/dbraw/zinc/13/64/24/1069136424.db2.gz PVJLOLFNNXRXPD-WBVHZDCISA-N 1 1 450.561 1.461 20 0 JDADMO CCn1c(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001473389570 1069136427 /nfs/dbraw/zinc/13/64/27/1069136427.db2.gz PVJLOLFNNXRXPD-WBVHZDCISA-N 1 1 450.561 1.461 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC001473390433 1069136488 /nfs/dbraw/zinc/13/64/88/1069136488.db2.gz FXTFGLQHSJXSIO-IAGOWNOFSA-N 1 1 457.593 1.262 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC001473390433 1069136490 /nfs/dbraw/zinc/13/64/90/1069136490.db2.gz FXTFGLQHSJXSIO-IAGOWNOFSA-N 1 1 457.593 1.262 20 0 JDADMO C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC001473393330 1069136909 /nfs/dbraw/zinc/13/69/09/1069136909.db2.gz SZAWQEODNKZNMU-MRXNPFEDSA-N 1 1 451.568 1.898 20 0 JDADMO CCOCCC[N@H+]1CC[C@H](NCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)[C@H](C)C1 ZINC001473406235 1069140200 /nfs/dbraw/zinc/14/02/00/1069140200.db2.gz GDRAQQCPAASVRS-HLIPFELVSA-N 1 1 452.621 1.338 20 0 JDADMO CCOCCC[N@H+]1CC[C@H](NCC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)[C@@H](C)C1 ZINC001473406238 1069140853 /nfs/dbraw/zinc/14/08/53/1069140853.db2.gz GDRAQQCPAASVRS-ZWOKBUDYSA-N 1 1 452.621 1.338 20 0 JDADMO O=C(C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1)Nc1cc(-n2nnnc2C2CC2)ccc1F ZINC001473409848 1069141232 /nfs/dbraw/zinc/14/12/32/1069141232.db2.gz PKTBHFONZUOGFX-GFCCVEGCSA-N 1 1 455.416 1.618 20 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CCOC(=O)[C@@]1(COC)CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001473414879 1069141996 /nfs/dbraw/zinc/14/19/96/1069141996.db2.gz IQDRPNFHJOLDEV-IERDGZPVSA-N 1 1 455.577 1.556 20 0 JDADMO CCOC(=O)[C@@]1(COC)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC001473414879 1069142014 /nfs/dbraw/zinc/14/20/14/1069142014.db2.gz IQDRPNFHJOLDEV-IERDGZPVSA-N 1 1 455.577 1.556 20 0 JDADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC001473411401 1069142044 /nfs/dbraw/zinc/14/20/44/1069142044.db2.gz ZDEWLAOJONMUOS-SFHVURJKSA-N 1 1 458.588 1.358 20 0 JDADMO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@@H+](C)CC(=O)N1CCN(c2cnccn2)CC1 ZINC001473411401 1069142053 /nfs/dbraw/zinc/14/20/53/1069142053.db2.gz ZDEWLAOJONMUOS-SFHVURJKSA-N 1 1 458.588 1.358 20 0 JDADMO C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001473413736 1069142667 /nfs/dbraw/zinc/14/26/67/1069142667.db2.gz IKUZCZDCPBNRHT-YWZLYKJASA-N 1 1 459.996 1.782 20 0 JDADMO C[C@@H](CO)[N@@H+](CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)CC1CCC1 ZINC001473420481 1069144859 /nfs/dbraw/zinc/14/48/59/1069144859.db2.gz NSHFGCLILHGWIG-IBGZPJMESA-N 1 1 453.605 1.754 20 0 JDADMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC001473434641 1069147703 /nfs/dbraw/zinc/14/77/03/1069147703.db2.gz FZLKXLCMEIAWAL-ZDUSSCGKSA-N 1 1 452.577 1.456 20 0 JDADMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC001473438749 1069149296 /nfs/dbraw/zinc/14/92/96/1069149296.db2.gz RKKLKVFXKXHJLS-FQEVSTJZSA-N 1 1 459.996 1.926 20 0 JDADMO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001499965616 1069153322 /nfs/dbraw/zinc/15/33/22/1069153322.db2.gz NCBXBVMNEQSXFW-VWLOTQADSA-N 1 1 469.634 1.950 20 0 JDADMO CCC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001499965616 1069153336 /nfs/dbraw/zinc/15/33/36/1069153336.db2.gz NCBXBVMNEQSXFW-VWLOTQADSA-N 1 1 469.634 1.950 20 0 JDADMO CC(C)(C)OC(=O)N1CC[C@@](O)(C[N@H+]2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC001473455059 1069156159 /nfs/dbraw/zinc/15/61/59/1069156159.db2.gz WTVBFYADETVTBV-WZONZLPQSA-N 1 1 454.612 1.985 20 0 JDADMO C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CCN(Cc2ccccc2)CC1 ZINC001473462861 1069156859 /nfs/dbraw/zinc/15/68/59/1069156859.db2.gz OCOFPNYEYYQLHM-UHFFFAOYSA-N 1 1 459.616 1.412 20 0 JDADMO C[N@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CCN(Cc2ccccc2)CC1 ZINC001473462861 1069156875 /nfs/dbraw/zinc/15/68/75/1069156875.db2.gz OCOFPNYEYYQLHM-UHFFFAOYSA-N 1 1 459.616 1.412 20 0 JDADMO CCC[C@](C)(O)Cn1c(N2C[C@H]([NH+]3CCN(C(C)=O)CC3)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001499977489 1069159204 /nfs/dbraw/zinc/15/92/04/1069159204.db2.gz HVPRVYNKZGERHH-DFFQVNEFSA-N 1 1 492.665 1.470 20 0 JDADMO CCC[C@](C)(O)Cn1c(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 ZINC001499978977 1069160024 /nfs/dbraw/zinc/16/00/24/1069160024.db2.gz RSFRPZHRKBQAKE-QDSKXPNFSA-N 1 1 464.655 1.698 20 0 JDADMO 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CC[N@H+]1CCC[C@H]1Cn1c(N2C[C@@H](CC(=O)OC)[C@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502291193 1070029604 /nfs/dbraw/zinc/02/96/04/1070029604.db2.gz WYUXSDQOQZSZRO-ISJRUSPKSA-N 1 1 465.595 1.163 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 ZINC001502291582 1070030472 /nfs/dbraw/zinc/03/04/72/1070030472.db2.gz DCAATHDZNFTLND-CEXWTWQISA-N 1 1 484.667 1.537 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001502291585 1070030549 /nfs/dbraw/zinc/03/05/49/1070030549.db2.gz DCAATHDZNFTLND-IPMKNSEASA-N 1 1 484.667 1.537 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 ZINC001502291731 1070030627 /nfs/dbraw/zinc/03/06/27/1070030627.db2.gz GNFFUFXPIWRCNA-CVDCTZTESA-N 1 1 458.611 1.776 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001502291603 1070030689 /nfs/dbraw/zinc/03/06/89/1070030689.db2.gz DGDZDLAPHDKRFC-QZTJIDSGSA-N 1 1 499.682 1.820 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001502291732 1070030714 /nfs/dbraw/zinc/03/07/14/1070030714.db2.gz GNFFUFXPIWRCNA-WMZHIEFXSA-N 1 1 458.611 1.776 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001502291914 1070031165 /nfs/dbraw/zinc/03/11/65/1070031165.db2.gz JFKIIGINADHUIM-APWZRJJASA-N 1 1 469.656 1.210 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001502292017 1070031287 /nfs/dbraw/zinc/03/12/87/1070031287.db2.gz LFEIAODBUMOGRI-ZNMIVQPWSA-N 1 1 468.546 1.530 20 0 JDADMO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001502292051 1070032558 /nfs/dbraw/zinc/03/25/58/1070032558.db2.gz LTZDCVUCDHBHNP-MWDXBVQZSA-N 1 1 478.685 1.021 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001502292051 1070032570 /nfs/dbraw/zinc/03/25/70/1070032570.db2.gz LTZDCVUCDHBHNP-MWDXBVQZSA-N 1 1 478.685 1.021 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC ZINC001502294160 1070036707 /nfs/dbraw/zinc/03/67/07/1070036707.db2.gz SZSXEKJJORVBBW-LJQANCHMSA-N 1 1 491.662 1.642 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 ZINC001502292234 1070033434 /nfs/dbraw/zinc/03/34/34/1070033434.db2.gz OCFJTZKXYJQHFU-DFQSSKMNSA-N 1 1 491.637 1.643 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001502292265 1070033470 /nfs/dbraw/zinc/03/34/70/1070033470.db2.gz OJXSDWRUAPLBJW-GBESFXJTSA-N 1 1 483.683 1.456 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 ZINC001502292387 1070034002 /nfs/dbraw/zinc/03/40/02/1070034002.db2.gz QLOCWFGSMCGJSW-WJFTUGDTSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC ZINC001502294546 1070036895 /nfs/dbraw/zinc/03/68/95/1070036895.db2.gz AGCOCSIMSHUUQS-PXNSSMCTSA-N 1 1 466.594 1.614 20 0 JDADMO CCn1cc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC[N@H+]2CC)cn1 ZINC001502292862 1070035605 /nfs/dbraw/zinc/03/56/05/1070035605.db2.gz YTEBIWUAWDYDFR-AEFFLSMTSA-N 1 1 452.629 1.616 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC ZINC001502294547 1070036472 /nfs/dbraw/zinc/03/64/72/1070036472.db2.gz AGCOCSIMSHUUQS-XLIONFOSSA-N 1 1 466.594 1.614 20 0 JDADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001478676591 1070038848 /nfs/dbraw/zinc/03/88/48/1070038848.db2.gz GMJGLZWBQVCGAB-OXQOHEQNSA-N 1 1 450.605 1.076 20 0 JDADMO C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001478676591 1070038862 /nfs/dbraw/zinc/03/88/62/1070038862.db2.gz GMJGLZWBQVCGAB-OXQOHEQNSA-N 1 1 450.605 1.076 20 0 JDADMO C[C@H](O)C[NH+]1CCN(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)CC1 ZINC001478676407 1070039064 /nfs/dbraw/zinc/03/90/64/1070039064.db2.gz CZUHCROOPIVZLY-ROUUACIJSA-N 1 1 452.621 1.324 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC001502297231 1070040216 /nfs/dbraw/zinc/04/02/16/1070040216.db2.gz VTYFTBYIYMALEH-PMACEKPBSA-N 1 1 468.668 1.907 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001502296944 1070040675 /nfs/dbraw/zinc/04/06/75/1070040675.db2.gz QZKJUSRHSSXNAN-OTWHNJEPSA-N 1 1 454.641 1.517 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 ZINC001502297078 1070040805 /nfs/dbraw/zinc/04/08/05/1070040805.db2.gz TVCXQHGFZKFYPA-WOJBJXKFSA-N 1 1 484.667 1.348 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC001502298304 1070041424 /nfs/dbraw/zinc/04/14/24/1070041424.db2.gz QELKJNKTKPWGQV-ICSRJNTNSA-N 1 1 461.636 1.608 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001502297281 1070041784 /nfs/dbraw/zinc/04/17/84/1070041784.db2.gz WFOJTYHKWIZKPM-VAMGGRTRSA-N 1 1 468.668 1.212 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001502296332 1070037906 /nfs/dbraw/zinc/03/79/06/1070037906.db2.gz GYUNNXIEYPETGM-OALUTQOASA-N 1 1 495.694 1.685 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001502296309 1070038035 /nfs/dbraw/zinc/03/80/35/1070038035.db2.gz GREMCLOEVQEZOI-FCGDIQPGSA-N 1 1 486.708 1.816 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001502296310 1070038121 /nfs/dbraw/zinc/03/81/21/1070038121.db2.gz GREMCLOEVQEZOI-HCXYKTFWSA-N 1 1 486.708 1.816 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001502300173 1070043597 /nfs/dbraw/zinc/04/35/97/1070043597.db2.gz ABJVWHDJIWAQIK-RBUKOAKNSA-N 1 1 454.641 1.912 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 ZINC001502300174 1070043616 /nfs/dbraw/zinc/04/36/16/1070043616.db2.gz ABJVWHDJIWAQIK-RTBURBONSA-N 1 1 454.641 1.912 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502300502 1070044207 /nfs/dbraw/zinc/04/42/07/1070044207.db2.gz HOSJEPRVFXNLPR-RDPSFJRHSA-N 1 1 478.638 1.488 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001502300631 1070044414 /nfs/dbraw/zinc/04/44/14/1070044414.db2.gz KIMPTKSXOVIXQP-CEXWTWQISA-N 1 1 454.641 1.770 20 0 JDADMO CCN1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)[N@@H+](C)Cc2ccccc2)CC1=O ZINC001502300871 1070044928 /nfs/dbraw/zinc/04/49/28/1070044928.db2.gz QDWZMANOTKFQNS-IBGZPJMESA-N 1 1 455.607 1.995 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001502300934 1070045069 /nfs/dbraw/zinc/04/50/69/1070045069.db2.gz RSMISYFJLWVBEN-XJUOHMSHSA-N 1 1 491.681 1.523 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502301009 1070045263 /nfs/dbraw/zinc/04/52/63/1070045263.db2.gz UJFCZBFOEREZBY-XUZZJYLKSA-N 1 1 464.655 1.962 20 0 JDADMO C[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCOCC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001478790335 1070052709 /nfs/dbraw/zinc/05/27/09/1070052709.db2.gz WKTMREYDEGTOOK-IBGZPJMESA-N 1 1 459.591 1.794 20 0 JDADMO COC(=O)c1cnc(C2CCN(C(=O)NCC3([NH+]4CCOCC4)CCOCC3)CC2)s1 ZINC001478789257 1070052800 /nfs/dbraw/zinc/05/28/00/1070052800.db2.gz LWJNPPACMMNAPS-UHFFFAOYSA-N 1 1 452.577 1.700 20 0 JDADMO CCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC001502303870 1070052845 /nfs/dbraw/zinc/05/28/45/1070052845.db2.gz NTDXBEGTYTVRSP-FQEVSTJZSA-N 1 1 486.617 1.868 20 0 JDADMO CN1CCOC[C@]1(CO)CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC001478809477 1070055531 /nfs/dbraw/zinc/05/55/31/1070055531.db2.gz UMRLCFSIDNPCLB-HXUWFJFHSA-N 1 1 455.397 1.406 20 0 JDADMO CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+](C)Cc2ccccc2)CC1=O ZINC001502305697 1070055855 /nfs/dbraw/zinc/05/58/55/1070055855.db2.gz BKABBQWGQCOHEP-NRFANRHFSA-N 1 1 488.658 1.761 20 0 JDADMO CCN1CCCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC001502303871 1070052713 /nfs/dbraw/zinc/05/27/13/1070052713.db2.gz NTDXBEGTYTVRSP-HXUWFJFHSA-N 1 1 486.617 1.868 20 0 JDADMO CCN1CCCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001502306562 1070058367 /nfs/dbraw/zinc/05/83/67/1070058367.db2.gz AKLNFCYTJCSADN-UHFFFAOYSA-N 1 1 461.636 1.803 20 0 JDADMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001478837741 1070058592 /nfs/dbraw/zinc/05/85/92/1070058592.db2.gz AYWMSLJYOMWZSC-TZIWHRDSSA-N 1 1 452.621 1.589 20 0 JDADMO C[C@@H](CNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885443 1070063604 /nfs/dbraw/zinc/06/36/04/1070063604.db2.gz HOHAIZYENYMBEW-HAGHYFMRSA-N 1 1 453.628 1.821 20 0 JDADMO C[C@@H](CNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001478885443 1070063618 /nfs/dbraw/zinc/06/36/18/1070063618.db2.gz HOHAIZYENYMBEW-HAGHYFMRSA-N 1 1 453.628 1.821 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(C)C)n3CCNC(=O)c3ccn[nH]3)CC2)CC1 ZINC001502308810 1070063991 /nfs/dbraw/zinc/06/39/91/1070063991.db2.gz JUXNZBAAFOWGSW-UHFFFAOYSA-N 1 1 485.637 1.325 20 0 JDADMO CCn1cccc(Cn2c(C)nnc2N2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c1=O ZINC001502308909 1070064181 /nfs/dbraw/zinc/06/41/81/1070064181.db2.gz NVEUIVDTKYTHKP-UHFFFAOYSA-N 1 1 455.607 1.587 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)OC)CC2)CC1 ZINC001502308756 1070064349 /nfs/dbraw/zinc/06/43/49/1070064349.db2.gz HWTBJXLTXGAPRG-GOSISDBHSA-N 1 1 463.627 1.222 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4OC)n3CCC(=O)NC)CC2)CC1 ZINC001502308794 1070064396 /nfs/dbraw/zinc/06/43/96/1070064396.db2.gz JIHLGFFFDJIZKI-UHFFFAOYSA-N 1 1 497.644 1.860 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4ccccc4)n3CCC(=O)NC)CC2)CC1 ZINC001502309152 1070064871 /nfs/dbraw/zinc/06/48/71/1070064871.db2.gz XGTHKUQTKNRDBG-UHFFFAOYSA-N 1 1 467.618 1.852 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H](C)COC)CC2)CC1 ZINC001502309448 1070066958 /nfs/dbraw/zinc/06/69/58/1070066958.db2.gz FRXFTGAYUNOIPT-PZJWPPBQSA-N 1 1 462.639 1.835 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H](C3CCC3)C2)CC1 ZINC001502309266 1070065558 /nfs/dbraw/zinc/06/55/58/1070065558.db2.gz ASWXHZKJWPGGMK-SFHLNBCPSA-N 1 1 497.710 1.167 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@@H]4CCCOC4)n3C[C@@H](C)OC)CC2)CC1 ZINC001502309904 1070069120 /nfs/dbraw/zinc/06/91/20/1070069120.db2.gz OLOFRCJSJDNLJK-TZIWHRDSSA-N 1 1 462.639 1.978 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502310003 1070070593 /nfs/dbraw/zinc/07/05/93/1070070593.db2.gz QUGKYQFXKZDUBU-MSOLQXFVSA-N 1 1 491.662 1.183 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCOC4)n3CCC(=O)N(C)C)CC2)CC1 ZINC001502310179 1070070952 /nfs/dbraw/zinc/07/09/52/1070070952.db2.gz UHIRADAFGGVQMY-FQEVSTJZSA-N 1 1 475.638 1.031 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCOC4)n3C[C@H](C)COC)CC2)CC1 ZINC001502309447 1070067001 /nfs/dbraw/zinc/06/70/01/1070067001.db2.gz FRXFTGAYUNOIPT-FPOVZHCZSA-N 1 1 462.639 1.835 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502309434 1070067255 /nfs/dbraw/zinc/06/72/55/1070067255.db2.gz FMHHYONDLAQCQJ-LJQANCHMSA-N 1 1 484.649 1.969 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001502309492 1070067435 /nfs/dbraw/zinc/06/74/35/1070067435.db2.gz GKSIUMCASISWLB-MHORFTMASA-N 1 1 491.653 1.642 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccccc2C)CC1 ZINC001502309656 1070067860 /nfs/dbraw/zinc/06/78/60/1070067860.db2.gz KGMQRNMSDQIRRO-VQTJNVASSA-N 1 1 477.679 1.859 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310324 1070072368 /nfs/dbraw/zinc/07/23/68/1070072368.db2.gz XJFNXCCQLDZQLO-HOTGVXAUSA-N 1 1 470.669 1.007 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310422 1070073222 /nfs/dbraw/zinc/07/32/22/1070073222.db2.gz ZEKNMXOIQPINPY-IRXDYDNUSA-N 1 1 499.632 1.829 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310420 1070073611 /nfs/dbraw/zinc/07/36/11/1070073611.db2.gz ZEKNMXOIQPINPY-DLBZAZTESA-N 1 1 499.632 1.829 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502310671 1070074152 /nfs/dbraw/zinc/07/41/52/1070074152.db2.gz DPULZGFMUDHECK-IBGZPJMESA-N 1 1 491.662 1.061 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCOCC2)CC1 ZINC001502310529 1070074323 /nfs/dbraw/zinc/07/43/23/1070074323.db2.gz AZWWXLPVHVHLSH-HNNXBMFYSA-N 1 1 452.401 1.898 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001502310111 1070071578 /nfs/dbraw/zinc/07/15/78/1070071578.db2.gz SLIOJEAWDNAPHB-IPMKNSEASA-N 1 1 455.673 1.541 20 0 JDADMO O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001479003747 1070078548 /nfs/dbraw/zinc/07/85/48/1070078548.db2.gz WYABJKJEWCKTKE-YTFSRNRJSA-N 1 1 457.619 1.823 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@@H](C)CC(N)=O)CC1 ZINC001502311128 1070078407 /nfs/dbraw/zinc/07/84/07/1070078407.db2.gz NATUATDYQQMJGS-JKSUJKDBSA-N 1 1 495.470 1.772 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311333 1070079226 /nfs/dbraw/zinc/07/92/26/1070079226.db2.gz QPRLPQLRGUVOBV-IRXDYDNUSA-N 1 1 461.014 1.686 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502311092 1070076826 /nfs/dbraw/zinc/07/68/26/1070076826.db2.gz MOPLNPQAUCMFGP-OALUTQOASA-N 1 1 485.633 1.655 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312677 1070084265 /nfs/dbraw/zinc/08/42/65/1070084265.db2.gz QDQXHEHVXLEBLO-IBGZPJMESA-N 1 1 487.624 1.842 20 0 JDADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502311894 1070081895 /nfs/dbraw/zinc/08/18/95/1070081895.db2.gz AZSXYRSLPQWXCM-HXUWFJFHSA-N 1 1 471.654 1.883 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502312641 1070084473 /nfs/dbraw/zinc/08/44/73/1070084473.db2.gz PTHOLXZIXPTDFE-PMACEKPBSA-N 1 1 475.663 1.441 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001502311850 1070082379 /nfs/dbraw/zinc/08/23/79/1070082379.db2.gz ADKFXMDOPWSEOI-HXUWFJFHSA-N 1 1 456.639 1.883 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001502312229 1070082577 /nfs/dbraw/zinc/08/25/77/1070082577.db2.gz IRZDXSNUWNBRNH-FQEVSTJZSA-N 1 1 485.681 1.788 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001502312362 1070083112 /nfs/dbraw/zinc/08/31/12/1070083112.db2.gz KSASDQGBIBLFAS-NVXWUHKLSA-N 1 1 454.501 1.529 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502312478 1070083832 /nfs/dbraw/zinc/08/38/32/1070083832.db2.gz MYUJZIZXNWTABU-HXUWFJFHSA-N 1 1 459.614 1.879 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC001502313066 1070086197 /nfs/dbraw/zinc/08/61/97/1070086197.db2.gz XLZGLUJMDXZCHV-BHDDXSALSA-N 1 1 498.676 1.734 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001502313635 1070089001 /nfs/dbraw/zinc/08/90/01/1070089001.db2.gz IHPSJCWCDYXEJV-FQEVSTJZSA-N 1 1 471.654 1.628 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313552 1070089048 /nfs/dbraw/zinc/08/90/48/1070089048.db2.gz GLMFHHJYSKHZKO-OALUTQOASA-N 1 1 473.588 1.882 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502313217 1070086527 /nfs/dbraw/zinc/08/65/27/1070086527.db2.gz AFZXYBOATPCKLL-FQEVSTJZSA-N 1 1 487.624 1.329 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502313174 1070087081 /nfs/dbraw/zinc/08/70/81/1070087081.db2.gz ZAJSUBJOZOEPGH-LJQANCHMSA-N 1 1 455.607 1.648 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502313218 1070087319 /nfs/dbraw/zinc/08/73/19/1070087319.db2.gz AFZXYBOATPCKLL-HXUWFJFHSA-N 1 1 487.624 1.329 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC001502313636 1070089165 /nfs/dbraw/zinc/08/91/65/1070089165.db2.gz IHPSJCWCDYXEJV-HXUWFJFHSA-N 1 1 471.654 1.628 20 0 JDADMO CNS(=O)(=O)[C@H]1CCN(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)C1 ZINC001479102604 1070088116 /nfs/dbraw/zinc/08/81/16/1070088116.db2.gz LVIFPBJZNRGOAS-RJGXRXQPSA-N 1 1 472.611 1.996 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502313747 1070091087 /nfs/dbraw/zinc/09/10/87/1070091087.db2.gz KARBJXMPXQAMJY-OFNKIYASSA-N 1 1 499.660 1.245 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502314123 1070091414 /nfs/dbraw/zinc/09/14/14/1070091414.db2.gz PZKAXHVYABBBRP-RBUKOAKNSA-N 1 1 457.598 1.701 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502314129 1070091471 /nfs/dbraw/zinc/09/14/71/1070091471.db2.gz QCKRESYNYXRACC-NRFANRHFSA-N 1 1 456.639 1.058 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502314281 1070091968 /nfs/dbraw/zinc/09/19/68/1070091968.db2.gz SEJDHHNHGPSEPB-RTWAWAEBSA-N 1 1 453.635 1.870 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502314254 1070092169 /nfs/dbraw/zinc/09/21/69/1070092169.db2.gz RSRCPJNVTSMTIY-SYYKKAFVSA-N 1 1 488.608 1.394 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502314253 1070092297 /nfs/dbraw/zinc/09/22/97/1070092297.db2.gz RSRCPJNVTSMTIY-CZTZKLFOSA-N 1 1 488.608 1.394 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502314259 1070092349 /nfs/dbraw/zinc/09/23/49/1070092349.db2.gz RXDSVMZLHRBGRB-IBGZPJMESA-N 1 1 467.684 1.433 20 0 JDADMO Cc1ccc(CN2CCO[C@H](CNC(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)C2)cc1 ZINC001479137811 1070092672 /nfs/dbraw/zinc/09/26/72/1070092672.db2.gz ZBMMMYZCGRLPLB-HSZRJFAPSA-N 1 1 457.619 1.391 20 0 JDADMO CCN1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314405 1070093284 /nfs/dbraw/zinc/09/32/84/1070093284.db2.gz UWNXYBOMYSZJTI-VQTJNVASSA-N 1 1 481.711 1.173 20 0 JDADMO COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)CCS2(=O)=O ZINC001479144422 1070093385 /nfs/dbraw/zinc/09/33/85/1070093385.db2.gz UPCBJHOLGAVXJE-LKYPVIHCSA-N 1 1 455.621 1.982 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001502314672 1070095262 /nfs/dbraw/zinc/09/52/62/1070095262.db2.gz YTWLJQNVQHXPLB-OAQYLSRUSA-N 1 1 468.650 1.860 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)CC1 ZINC001502315231 1070098984 /nfs/dbraw/zinc/09/89/84/1070098984.db2.gz JOOBTSCSHAXTOR-GOSISDBHSA-N 1 1 483.646 1.722 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502315265 1070099756 /nfs/dbraw/zinc/09/97/56/1070099756.db2.gz KHIXFZYDRMQPCV-IFMALSPDSA-N 1 1 483.661 1.800 20 0 JDADMO COc1cccc([C@@H](C)N2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177977 1070099937 /nfs/dbraw/zinc/09/99/37/1070099937.db2.gz NSXRWIFIQDPVAH-GGAORHGYSA-N 1 1 459.635 1.880 20 0 JDADMO COc1cccc([C@@H](C)N2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177975 1070100253 /nfs/dbraw/zinc/10/02/53/1070100253.db2.gz NSXRWIFIQDPVAH-FYYLOGMGSA-N 1 1 459.635 1.880 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502315543 1070102584 /nfs/dbraw/zinc/10/25/84/1070102584.db2.gz PVMIUQXRMFFBGH-FQEVSTJZSA-N 1 1 471.654 1.258 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502315531 1070102781 /nfs/dbraw/zinc/10/27/81/1070102781.db2.gz PRQFZYKSHJLULU-LEWJYISDSA-N 1 1 483.661 1.765 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502315630 1070104577 /nfs/dbraw/zinc/10/45/77/1070104577.db2.gz RMIPDEAWRVCPJV-WOJBJXKFSA-N 1 1 455.607 1.237 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502315806 1070105456 /nfs/dbraw/zinc/10/54/56/1070105456.db2.gz VEGFMCAEQJJHAL-GGAORHGYSA-N 1 1 485.681 1.470 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3C[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)CC1 ZINC001479218253 1070106491 /nfs/dbraw/zinc/10/64/91/1070106491.db2.gz PKYGSSXEYBPHCY-IHWFROFDSA-N 1 1 454.637 1.318 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502315921 1070107539 /nfs/dbraw/zinc/10/75/39/1070107539.db2.gz WSUZAJNZBCNHRL-DLBZAZTESA-N 1 1 460.652 1.327 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001502315890 1070107967 /nfs/dbraw/zinc/10/79/67/1070107967.db2.gz WFEDKBLFBKGHTR-QYZOEREBSA-N 1 1 475.663 1.909 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315930 1070108371 /nfs/dbraw/zinc/10/83/71/1070108371.db2.gz WTGPVMMPGHRNPZ-TZIWHRDSSA-N 1 1 454.623 1.382 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001502315965 1070109501 /nfs/dbraw/zinc/10/95/01/1070109501.db2.gz XHFAUBDYDTUAFZ-KRWDZBQOSA-N 1 1 460.652 1.828 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502316040 1070109821 /nfs/dbraw/zinc/10/98/21/1070109821.db2.gz YMBWYHXKYOSZQB-SFHVURJKSA-N 1 1 461.636 1.845 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502316055 1070110207 /nfs/dbraw/zinc/11/02/07/1070110207.db2.gz YSFWBTYYKQOKTK-NRFANRHFSA-N 1 1 497.692 1.920 20 0 JDADMO 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JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(C)CCC3)C2)CC1 ZINC001502333149 1070174893 /nfs/dbraw/zinc/17/48/93/1070174893.db2.gz BGMRHZGCQGBXIJ-MSOLQXFVSA-N 1 1 453.657 1.295 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3nc(C)c(C)s3)C2)CC1 ZINC001502333165 1070174946 /nfs/dbraw/zinc/17/49/46/1070174946.db2.gz BWLFGEVFCAQQGE-FUHWJXTLSA-N 1 1 496.707 1.226 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3ncccc3C)C2)CC1 ZINC001502333623 1070179425 /nfs/dbraw/zinc/17/94/25/1070179425.db2.gz NBOFNHWMBZTRAC-RTWAWAEBSA-N 1 1 457.623 1.970 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3ccc(OC)cc3)C2)CC1 ZINC001502333721 1070179822 /nfs/dbraw/zinc/17/98/22/1070179822.db2.gz POAFMMSVNVRXRN-ICSRJNTNSA-N 1 1 491.662 1.161 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCSC(C)C)C2)CC1 ZINC001502333993 1070181270 /nfs/dbraw/zinc/18/12/70/1070181270.db2.gz XKTSZZONQNHXIE-QZTJIDSGSA-N 1 1 473.713 1.246 20 0 JDADMO 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CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502337617 1070208254 /nfs/dbraw/zinc/20/82/54/1070208254.db2.gz LIEQLAVNEMGHMA-SLFFLAALSA-N 1 1 486.621 1.049 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccccc4F)n3CC(=O)NC(C)C)C2)CC1 ZINC001502337621 1070208535 /nfs/dbraw/zinc/20/85/35/1070208535.db2.gz LJSWUZSAMQRABF-LJQANCHMSA-N 1 1 473.597 1.737 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4OCC[C@H]4COC)n3C[C@@H](OC)C(C)C)C2)CC1 ZINC001502337716 1070209299 /nfs/dbraw/zinc/20/92/99/1070209299.db2.gz MUMWJILGNDKNOI-CBPXPLCBSA-N 1 1 464.655 1.889 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001502338141 1070211061 /nfs/dbraw/zinc/21/10/61/1070211061.db2.gz RTJDCQNONNFJII-VQTJNVASSA-N 1 1 461.655 1.791 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCS(=O)CC2)CC1 ZINC001502338177 1070211452 /nfs/dbraw/zinc/21/14/52/1070211452.db2.gz SEMXNEOCIOXVCE-IBGZPJMESA-N 1 1 490.674 1.805 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cccn3)CC2)CC1 ZINC001502338300 1070213447 /nfs/dbraw/zinc/21/34/47/1070213447.db2.gz URMJGYSMDFCFTB-NRFANRHFSA-N 1 1 485.681 1.803 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001502338233 1070214444 /nfs/dbraw/zinc/21/44/44/1070214444.db2.gz SPQMFVPTPSBOAE-SXWKCWPCSA-N 1 1 499.726 1.557 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001502338479 1070215917 /nfs/dbraw/zinc/21/59/17/1070215917.db2.gz WKFSRXAHWKYSTM-BURNTYAHSA-N 1 1 497.710 1.167 20 0 JDADMO CCN(C1CCN(c2nnc(C)n2C[C@@H](C)CN2CC[NH+](CC)CC2)CC1)S(C)(=O)=O ZINC001502338793 1070216881 /nfs/dbraw/zinc/21/68/81/1070216881.db2.gz ZTTCKQKBNOHPBC-SFHVURJKSA-N 1 1 455.673 1.110 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(CNC(=O)c3cnn(C)c3)CC2)CC1 ZINC001502338819 1070218135 /nfs/dbraw/zinc/21/81/35/1070218135.db2.gz ZYBRTJSOHIWNEQ-LJQANCHMSA-N 1 1 471.654 1.240 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502340242 1070218968 /nfs/dbraw/zinc/21/89/68/1070218968.db2.gz FKRAKUUILXHFCR-PMACEKPBSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502340596 1070220142 /nfs/dbraw/zinc/22/01/42/1070220142.db2.gz HPRHXTGSCPPOPS-TZIWHRDSSA-N 1 1 469.638 1.361 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502340958 1070222614 /nfs/dbraw/zinc/22/26/14/1070222614.db2.gz LNOGBXQBFQLSGK-HXUWFJFHSA-N 1 1 499.660 1.904 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502339677 1070218756 /nfs/dbraw/zinc/21/87/56/1070218756.db2.gz BQSIDGUCWCTYFO-HXUWFJFHSA-N 1 1 484.649 1.345 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502341381 1070228108 /nfs/dbraw/zinc/22/81/08/1070228108.db2.gz VAYFSDZBQOXJRW-VXKWHMMOSA-N 1 1 472.682 1.714 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502341447 1070226525 /nfs/dbraw/zinc/22/65/25/1070226525.db2.gz WGDRGQXEUNHYJM-AEFFLSMTSA-N 1 1 461.014 1.579 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502341506 1070227110 /nfs/dbraw/zinc/22/71/10/1070227110.db2.gz XJKHKXSYTDSLQV-OAQYLSRUSA-N 1 1 468.650 1.918 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502340911 1070223560 /nfs/dbraw/zinc/22/35/60/1070223560.db2.gz KSGJJROSUOHOSS-RBBKRZOGSA-N 1 1 470.666 1.862 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502341122 1070224827 /nfs/dbraw/zinc/22/48/27/1070224827.db2.gz OIKDEHLMUIDLIL-PWRODBHTSA-N 1 1 457.623 1.854 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502341308 1070225520 /nfs/dbraw/zinc/22/55/20/1070225520.db2.gz SOSDMEKASRDSOG-ZWKOTPCHSA-N 1 1 475.041 1.934 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502341306 1070225582 /nfs/dbraw/zinc/22/55/82/1070225582.db2.gz SOSDMEKASRDSOG-QZTJIDSGSA-N 1 1 475.041 1.934 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343103 1070234985 /nfs/dbraw/zinc/23/49/85/1070234985.db2.gz JRQIAJOIBWLJAO-LEWJYISDSA-N 1 1 488.681 1.198 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493172277 1070236093 /nfs/dbraw/zinc/23/60/93/1070236093.db2.gz YPGMDKWEDRJCKO-SJLPKXTDSA-N 1 1 489.024 1.603 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCCO2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493181667 1070239866 /nfs/dbraw/zinc/23/98/66/1070239866.db2.gz YZBVNQDIMGCYAV-QRVBRYPASA-N 1 1 461.611 1.129 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343784 1070243292 /nfs/dbraw/zinc/24/32/92/1070243292.db2.gz UTXSXCDPTSKMRW-NHCUHLMSSA-N 1 1 490.697 1.686 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001493182535 1070241340 /nfs/dbraw/zinc/24/13/40/1070241340.db2.gz DPCJRAMSROJIRE-XDHUDOTRSA-N 1 1 491.637 1.126 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502343584 1070241999 /nfs/dbraw/zinc/24/19/99/1070241999.db2.gz QMVJABKSXZMVGM-HXUWFJFHSA-N 1 1 469.634 1.927 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343783 1070242798 /nfs/dbraw/zinc/24/27/98/1070242798.db2.gz UTXSXCDPTSKMRW-LEWJYISDSA-N 1 1 490.697 1.686 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343815 1070243047 /nfs/dbraw/zinc/24/30/47/1070243047.db2.gz VAICCXHVGDNRAH-VXKWHMMOSA-N 1 1 463.671 1.214 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502343816 1070246290 /nfs/dbraw/zinc/24/62/90/1070246290.db2.gz VAICCXHVGDNRAH-YADHBBJMSA-N 1 1 463.671 1.214 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493186714 1070246672 /nfs/dbraw/zinc/24/66/72/1070246672.db2.gz TYHMORIJIJZKOS-WIYYLYMNSA-N 1 1 458.582 1.912 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343851 1070246565 /nfs/dbraw/zinc/24/65/65/1070246565.db2.gz VUFHXEJOSLPEJY-AZUAARDMSA-N 1 1 457.598 1.593 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502343914 1070246964 /nfs/dbraw/zinc/24/69/64/1070246964.db2.gz WQYWSZVEWRMPCX-DENIHFKCSA-N 1 1 487.624 1.233 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343880 1070247042 /nfs/dbraw/zinc/24/70/42/1070247042.db2.gz WBYJVDOQZZBPRQ-YADHBBJMSA-N 1 1 475.682 1.750 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493188225 1070248346 /nfs/dbraw/zinc/24/83/46/1070248346.db2.gz ZMEMTLUSZAVCGQ-NXMSCROESA-N 1 1 491.637 1.126 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001493190359 1070248439 /nfs/dbraw/zinc/24/84/39/1070248439.db2.gz AVBNNPHIBSTJSM-IPMKNSEASA-N 1 1 462.639 1.974 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502343875 1070245762 /nfs/dbraw/zinc/24/57/62/1070245762.db2.gz VZJUEWPBISUKFF-IBGZPJMESA-N 1 1 481.711 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502343916 1070249338 /nfs/dbraw/zinc/24/93/38/1070249338.db2.gz WQYWSZVEWRMPCX-KNQAVFIVSA-N 1 1 487.624 1.233 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001502345572 1070249845 /nfs/dbraw/zinc/24/98/45/1070249845.db2.gz CLBKNDOHTIOPOD-RXVVDRJESA-N 1 1 472.638 1.413 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493190557 1070250365 /nfs/dbraw/zinc/25/03/65/1070250365.db2.gz CAOHPDGCOZFHQK-RBUKOAKNSA-N 1 1 474.581 1.900 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502345584 1070250849 /nfs/dbraw/zinc/25/08/49/1070250849.db2.gz CPTZTSIACOXCFU-GAJHUEQPSA-N 1 1 474.679 1.609 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502345958 1070251772 /nfs/dbraw/zinc/25/17/72/1070251772.db2.gz HVQCKJGMWLZINB-SCPDWHHUSA-N 1 1 491.681 1.333 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345616 1070252429 /nfs/dbraw/zinc/25/24/29/1070252429.db2.gz DLWHQFVRWUQIHY-NRFANRHFSA-N 1 1 469.634 1.452 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502346059 1070253939 /nfs/dbraw/zinc/25/39/39/1070253939.db2.gz IOVQXSUUPRBCDB-URXFXBBRSA-N 1 1 482.677 1.842 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2C[C@H]3CCC[C@@H](C2)C3O)CC1 ZINC001502346819 1070259003 /nfs/dbraw/zinc/25/90/03/1070259003.db2.gz OULKPLJVLIICCR-WCRBZPEASA-N 1 1 461.655 1.431 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502346887 1070259065 /nfs/dbraw/zinc/25/90/65/1070259065.db2.gz PRGYLPWTHDUWED-GOSISDBHSA-N 1 1 490.678 1.796 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001493217386 1070261222 /nfs/dbraw/zinc/26/12/22/1070261222.db2.gz QKGCVGVAHDAYJJ-KSZLIROESA-N 1 1 456.657 1.524 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346985 1070261300 /nfs/dbraw/zinc/26/13/00/1070261300.db2.gz RICHMZXUVADWBV-HXUWFJFHSA-N 1 1 460.671 1.746 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001493217973 1070261958 /nfs/dbraw/zinc/26/19/58/1070261958.db2.gz RTJVCCWFKYYFMJ-IYWMVGAKSA-N 1 1 498.694 1.593 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001502347199 1070261832 /nfs/dbraw/zinc/26/18/32/1070261832.db2.gz WDCQYSMRTBSNSZ-SFTDATJTSA-N 1 1 475.682 1.925 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502347236 1070262198 /nfs/dbraw/zinc/26/21/98/1070262198.db2.gz WUMSLVVCIXEZAB-FCEUIQTBSA-N 1 1 457.623 1.388 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)C1 ZINC001493216810 1070262043 /nfs/dbraw/zinc/26/20/43/1070262043.db2.gz PJMBYYOXGIFFSU-ZCNNSNEGSA-N 1 1 498.694 1.594 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493212242 1070262137 /nfs/dbraw/zinc/26/21/37/1070262137.db2.gz FTUKNBLNYWYNHT-BGYRXZFFSA-N 1 1 483.665 1.702 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502347204 1070262287 /nfs/dbraw/zinc/26/22/87/1070262287.db2.gz WEEDKBAVAJYTCM-CYFREDJKSA-N 1 1 454.623 1.239 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502348928 1070264116 /nfs/dbraw/zinc/26/41/16/1070264116.db2.gz HKJDOIDBUXZMRI-FQEVSTJZSA-N 1 1 453.657 1.009 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(Cc3cccc(F)c3)C(=O)C2)CC1 ZINC001502349056 1070264164 /nfs/dbraw/zinc/26/41/64/1070264164.db2.gz MAZIKFOMDGVKOY-UHFFFAOYSA-N 1 1 457.598 1.992 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502348871 1070264529 /nfs/dbraw/zinc/26/45/29/1070264529.db2.gz FPSYYYVITGVTFH-IBGZPJMESA-N 1 1 493.678 1.734 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)(N3CCOCC3)C2)CC1 ZINC001502347355 1070264781 /nfs/dbraw/zinc/26/47/81/1070264781.db2.gz YMFIBKJFDSNSAS-RUZDIDTESA-N 1 1 490.697 1.135 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC001502347408 1070264930 /nfs/dbraw/zinc/26/49/30/1070264930.db2.gz ZJKSNIYKDZDLSJ-NRFANRHFSA-N 1 1 491.681 1.608 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2Cc3ccccc3C2)CC1 ZINC001502349424 1070267445 /nfs/dbraw/zinc/26/74/45/1070267445.db2.gz XVYQTJZQGWWBHZ-IBGZPJMESA-N 1 1 475.663 1.826 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001502349287 1070267796 /nfs/dbraw/zinc/26/77/96/1070267796.db2.gz SGHWSNYGNJPWCE-SFHVURJKSA-N 1 1 461.014 1.723 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001502349448 1070268630 /nfs/dbraw/zinc/26/86/30/1070268630.db2.gz YQTAXFMHDJADII-IBGZPJMESA-N 1 1 464.636 1.888 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502351093 1070269732 /nfs/dbraw/zinc/26/97/32/1070269732.db2.gz LCZXSSWKFSYKHT-FQEVSTJZSA-N 1 1 452.669 1.977 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502351226 1070270000 /nfs/dbraw/zinc/27/00/00/1070270000.db2.gz OSOTWXXZOFUKPI-NRFANRHFSA-N 1 1 461.655 1.504 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502351037 1070270580 /nfs/dbraw/zinc/27/05/80/1070270580.db2.gz JZKJJRODCHLHHE-YADHBBJMSA-N 1 1 461.655 1.552 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001502350995 1070270668 /nfs/dbraw/zinc/27/06/68/1070270668.db2.gz ISUDNADCKNUJCL-OALUTQOASA-N 1 1 461.611 1.036 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493266296 1070271041 /nfs/dbraw/zinc/27/10/41/1070271041.db2.gz OINCHMSNVZFFMZ-ZGXWSNOMSA-N 1 1 480.679 1.605 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001502352528 1070273422 /nfs/dbraw/zinc/27/34/22/1070273422.db2.gz FXKZEANRAUGDGH-UHFFFAOYSA-N 1 1 460.652 1.943 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 ZINC001493265868 1070271494 /nfs/dbraw/zinc/27/14/94/1070271494.db2.gz LMEYUKOJYSKDBR-RHGYRFJNSA-N 1 1 468.606 1.995 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502352416 1070272860 /nfs/dbraw/zinc/27/28/60/1070272860.db2.gz BJYQFPBZQOAEAB-OAQYLSRUSA-N 1 1 461.655 1.852 20 0 JDADMO CC(C)c1nnc(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268750 1070273793 /nfs/dbraw/zinc/27/37/93/1070273793.db2.gz YYGYZYSPSBJLSW-KDURUIRLSA-N 1 1 487.653 1.236 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070274029 /nfs/dbraw/zinc/27/40/29/1070274029.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 1 1 481.711 1.931 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070274056 /nfs/dbraw/zinc/27/40/56/1070274056.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 1 1 481.711 1.931 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502352669 1070274558 /nfs/dbraw/zinc/27/45/58/1070274558.db2.gz KVHYUQIPQDRTLM-PUHATCMVSA-N 1 1 491.681 1.477 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)N3CCCC3)CC2)CC1 ZINC001502352608 1070274940 /nfs/dbraw/zinc/27/49/40/1070274940.db2.gz IQWBRZLLHOJOSK-UHFFFAOYSA-N 1 1 488.681 1.283 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502353033 1070277767 /nfs/dbraw/zinc/27/77/67/1070277767.db2.gz WIJOSDNCFBBLBB-UHFFFAOYSA-N 1 1 487.653 1.446 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493275698 1070275526 /nfs/dbraw/zinc/27/55/26/1070275526.db2.gz OULAAISDULYXQR-HBMCJLEFSA-N 1 1 494.706 1.853 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccc(F)cn3)CC2)CC1 ZINC001502352591 1070275574 /nfs/dbraw/zinc/27/55/74/1070275574.db2.gz IGABJDCAPBILAR-UHFFFAOYSA-N 1 1 487.628 1.305 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502352782 1070276308 /nfs/dbraw/zinc/27/63/08/1070276308.db2.gz NSAPQKHHMLPRMK-UHFFFAOYSA-N 1 1 498.676 1.757 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)CC1 ZINC001502352973 1070278879 /nfs/dbraw/zinc/27/88/79/1070278879.db2.gz UFXWIYIDJPIWLZ-FQEVSTJZSA-N 1 1 471.654 1.827 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493292409 1070279595 /nfs/dbraw/zinc/27/95/95/1070279595.db2.gz NVMUXZDRGAGUMP-SLHNCBLASA-N 1 1 486.683 1.639 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493292409 1070279615 /nfs/dbraw/zinc/27/96/15/1070279615.db2.gz NVMUXZDRGAGUMP-SLHNCBLASA-N 1 1 486.683 1.639 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493292410 1070279769 /nfs/dbraw/zinc/27/97/69/1070279769.db2.gz NVMUXZDRGAGUMP-SWBPCFCJSA-N 1 1 486.683 1.639 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493292410 1070279812 /nfs/dbraw/zinc/27/98/12/1070279812.db2.gz NVMUXZDRGAGUMP-SWBPCFCJSA-N 1 1 486.683 1.639 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCC([C@@]4(C)NC(=O)NC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001502353084 1070280583 /nfs/dbraw/zinc/28/05/83/1070280583.db2.gz YAFGCGAHABYUPC-RUZDIDTESA-N 1 1 488.681 1.808 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502354190 1070280844 /nfs/dbraw/zinc/28/08/44/1070280844.db2.gz BXPOTGYEBMWEAR-LJQANCHMSA-N 1 1 473.597 1.863 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccncc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502353048 1070280988 /nfs/dbraw/zinc/28/09/88/1070280988.db2.gz WTQIBJTUCVXVDT-FQEVSTJZSA-N 1 1 454.623 1.349 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2C2CCC2)CC1 ZINC001502354771 1070284192 /nfs/dbraw/zinc/28/41/92/1070284192.db2.gz NKDUZEJVOULLDR-AZUAARDMSA-N 1 1 467.684 1.685 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001502354933 1070284624 /nfs/dbraw/zinc/28/46/24/1070284624.db2.gz QGXOMBILCFOOEF-RCCFBDPRSA-N 1 1 473.713 1.246 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001502355170 1070286220 /nfs/dbraw/zinc/28/62/20/1070286220.db2.gz UAJRGPIUVFQAHR-QRVBRYPASA-N 1 1 455.673 1.398 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3OC)nnc2N2CCNC(=O)CC2)CC1 ZINC001502355333 1070288484 /nfs/dbraw/zinc/28/84/84/1070288484.db2.gz WEXCBEHKTCRHFJ-UHFFFAOYSA-N 1 1 471.606 1.316 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001502355878 1070288699 /nfs/dbraw/zinc/28/86/99/1070288699.db2.gz AZKSADQDMZMUIP-FQEVSTJZSA-N 1 1 469.638 1.504 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502356343 1070289407 /nfs/dbraw/zinc/28/94/07/1070289407.db2.gz MSQAEWNOBCPXTN-RTWAWAEBSA-N 1 1 457.623 1.916 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502356340 1070289932 /nfs/dbraw/zinc/28/99/32/1070289932.db2.gz MSQAEWNOBCPXTN-LEWJYISDSA-N 1 1 457.623 1.916 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001502356162 1070290300 /nfs/dbraw/zinc/29/03/00/1070290300.db2.gz LATXXSUVFWIHQU-IBGZPJMESA-N 1 1 490.653 1.314 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502356074 1070290355 /nfs/dbraw/zinc/29/03/55/1070290355.db2.gz IFVNAERQYHNAKM-UHFFFAOYSA-N 1 1 471.654 1.931 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502356107 1070290537 /nfs/dbraw/zinc/29/05/37/1070290537.db2.gz JWGAMVAJFJVBBJ-UHFFFAOYSA-N 1 1 476.651 1.166 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502356480 1070291061 /nfs/dbraw/zinc/29/10/61/1070291061.db2.gz ODFZQBAJXFDFSB-UHFFFAOYSA-N 1 1 458.611 1.032 20 0 JDADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502356467 1070291482 /nfs/dbraw/zinc/29/14/82/1070291482.db2.gz NVKKXGINSKOBKD-UHFFFAOYSA-N 1 1 453.657 1.091 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001502357058 1070291714 /nfs/dbraw/zinc/29/17/14/1070291714.db2.gz VRXFRPCUGACZGY-LJQANCHMSA-N 1 1 455.607 1.683 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc[nH]3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502356515 1070291748 /nfs/dbraw/zinc/29/17/48/1070291748.db2.gz OXTWLLQWERIMKD-UHFFFAOYSA-N 1 1 463.652 1.704 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502357545 1070293067 /nfs/dbraw/zinc/29/30/67/1070293067.db2.gz AGCDLMJOZRLRJV-FQEVSTJZSA-N 1 1 454.623 1.254 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001502358464 1070294069 /nfs/dbraw/zinc/29/40/69/1070294069.db2.gz MHWQYQWXNNOGDN-HSZRJFAPSA-N 1 1 466.696 1.909 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccsc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502358526 1070295259 /nfs/dbraw/zinc/29/52/59/1070295259.db2.gz NDZSKGUFUDRADL-UHFFFAOYSA-N 1 1 488.706 1.168 20 0 JDADMO C[C@@H]1C[C@@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001493343108 1070295533 /nfs/dbraw/zinc/29/55/33/1070295533.db2.gz SIAASIMVCLGVBF-YZGWKJHDSA-N 1 1 453.591 1.807 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502358667 1070295464 /nfs/dbraw/zinc/29/54/64/1070295464.db2.gz PARWTYGXDHLAMA-QFIPXVFZSA-N 1 1 461.655 1.552 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502358534 1070296163 /nfs/dbraw/zinc/29/61/63/1070296163.db2.gz NGGUTNMIZCJNMA-UHFFFAOYSA-N 1 1 475.663 1.305 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001502358896 1070297854 /nfs/dbraw/zinc/29/78/54/1070297854.db2.gz RTAMFRBSOLTDMV-FCHUYYIVSA-N 1 1 475.682 1.798 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502358777 1070297916 /nfs/dbraw/zinc/29/79/16/1070297916.db2.gz QGGGPUVOOPLTSD-UHFFFAOYSA-N 1 1 460.026 1.828 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001502359131 1070298677 /nfs/dbraw/zinc/29/86/77/1070298677.db2.gz WSZPXFVGGUCZJS-RTWAWAEBSA-N 1 1 497.710 1.121 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502359062 1070299268 /nfs/dbraw/zinc/29/92/68/1070299268.db2.gz UIUKXVZOYVMXLG-UHFFFAOYSA-N 1 1 482.677 1.986 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001493438109 1070302271 /nfs/dbraw/zinc/30/22/71/1070302271.db2.gz QMXLZQLBMOHZKP-KSZLIROESA-N 1 1 487.571 1.455 20 0 JDADMO CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001493437950 1070302309 /nfs/dbraw/zinc/30/23/09/1070302309.db2.gz PUWDDAKAZFYXJD-OOICKAIWSA-N 1 1 496.722 1.582 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502359490 1070300200 /nfs/dbraw/zinc/30/02/00/1070300200.db2.gz AAGRCILAKQSMOX-OAQYLSRUSA-N 1 1 471.654 1.224 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cn3nc(C)cc3C)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001502359563 1070300306 /nfs/dbraw/zinc/30/03/06/1070300306.db2.gz CANOQVBVTSXTOC-UHFFFAOYSA-N 1 1 471.654 1.226 20 0 JDADMO 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ZINC001495654377 1070810893 /nfs/dbraw/zinc/81/08/93/1070810893.db2.gz QBOOVBCWUZYSGJ-FQEVSTJZSA-N 1 1 477.654 1.421 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)n1CCC(=O)N1CCOCC1 ZINC001495654377 1070810895 /nfs/dbraw/zinc/81/08/95/1070810895.db2.gz QBOOVBCWUZYSGJ-FQEVSTJZSA-N 1 1 477.654 1.421 20 0 JDADMO CC[C@@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001495653070 1070810910 /nfs/dbraw/zinc/81/09/10/1070810910.db2.gz NTVPNLYFEZJZOB-WIYYLYMNSA-N 1 1 486.708 1.471 20 0 JDADMO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCCCn1cc[nH+]c1C ZINC001495662997 1070811074 /nfs/dbraw/zinc/81/10/74/1070811074.db2.gz BPOFSWCENWCBCY-GOSISDBHSA-N 1 1 458.611 1.950 20 0 JDADMO CCO[C@]1(c2nnc(N3CCCO[C@@H](C)C3)n2CCCCN2CC[NH+](CC)CC2)CCOC1 ZINC001502707369 1070811919 /nfs/dbraw/zinc/81/19/19/1070811919.db2.gz AHVLNUMFSBGDKH-XUZZJYLKSA-N 1 1 464.655 1.963 20 0 JDADMO COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC001504060620 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CCOc1ccc(O[C@H](C)c2nnc(N3CCC(NC(C)=O)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001502860767 1070869184 /nfs/dbraw/zinc/86/91/84/1070869184.db2.gz ZXGBTBMXCIBWGM-IQGLISFBSA-N 1 1 486.617 1.988 20 0 JDADMO COc1ccc(-c2nnc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)n2CCC(=O)N(C)C)cc1 ZINC001504193262 1070873088 /nfs/dbraw/zinc/87/30/88/1070873088.db2.gz JPOJDYQPMDETHZ-UHFFFAOYSA-N 1 1 466.590 1.878 20 0 JDADMO COc1ccc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1OC ZINC001504195341 1070874002 /nfs/dbraw/zinc/87/40/02/1070874002.db2.gz RJNLTTUSQVDVDP-HSZRJFAPSA-N 1 1 493.630 1.432 20 0 JDADMO COc1ccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001504197468 1070874742 /nfs/dbraw/zinc/87/47/42/1070874742.db2.gz JBLVCDPKADRLIZ-HXUWFJFHSA-N 1 1 497.644 1.859 20 0 JDADMO COc1ccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1OC ZINC001504201293 1070880781 /nfs/dbraw/zinc/88/07/81/1070880781.db2.gz KIZWJDRRRZHKNE-NRFANRHFSA-N 1 1 484.523 1.713 20 0 JDADMO CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001502898357 1070876712 /nfs/dbraw/zinc/87/67/12/1070876712.db2.gz JKDWSFUJJIOCGN-AZUAARDMSA-N 1 1 492.646 1.636 20 0 JDADMO COc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC001504198997 1070877132 /nfs/dbraw/zinc/87/71/32/1070877132.db2.gz FQWJPTYCEPZKCK-UHFFFAOYSA-N 1 1 455.607 1.506 20 0 JDADMO COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CCn2cc[nH+]c2C)c(OC)c1 ZINC001504201395 1070881194 /nfs/dbraw/zinc/88/11/94/1070881194.db2.gz YCJLUHYSCWFFKO-UHFFFAOYSA-N 1 1 475.575 1.249 20 0 JDADMO COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001504201468 1070881581 /nfs/dbraw/zinc/88/15/81/1070881581.db2.gz ZFCKOSYCYILUBU-GOSISDBHSA-N 1 1 462.620 1.767 20 0 JDADMO COc1ccc(-c2nnc(N3CC[NH+](C[C@H]4CCOC4)CC3)n2CCCS(C)(=O)=O)cc1OC ZINC001504199886 1070878584 /nfs/dbraw/zinc/87/85/84/1070878584.db2.gz CKFSFNIMKSVION-GOSISDBHSA-N 1 1 493.630 1.556 20 0 JDADMO 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COc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H](C)[N@@H+](C)C2CC2)c(OC)c1 ZINC001504200876 1070880455 /nfs/dbraw/zinc/88/04/55/1070880455.db2.gz UIFBLRAWEOPLLO-MRXNPFEDSA-N 1 1 478.619 1.527 20 0 JDADMO COc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)c(OC)c1 ZINC001504206640 1070885913 /nfs/dbraw/zinc/88/59/13/1070885913.db2.gz JPXCWFRDUMDOHP-KRWDZBQOSA-N 1 1 458.563 1.352 20 0 JDADMO COc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CC[N@@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001504208927 1070886887 /nfs/dbraw/zinc/88/68/87/1070886887.db2.gz AWQGMDHLWOPFMS-HBGVWJBISA-N 1 1 461.563 1.533 20 0 JDADMO COc1ccc(-c2nnc(N3C[C@@H](OC)[C@@H](OC)C3)n2CC[N@H+]2CCOC[C@H]2C)c(OC)c1 ZINC001504208927 1070886900 /nfs/dbraw/zinc/88/69/00/1070886900.db2.gz AWQGMDHLWOPFMS-HBGVWJBISA-N 1 1 461.563 1.533 20 0 JDADMO COc1ccc(-c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CC[NH+]2CCN(C(C)=O)CC2)cc1OC ZINC001504210544 1070887352 /nfs/dbraw/zinc/88/73/52/1070887352.db2.gz WEBYTKKJUOUWJM-HDICACEKSA-N 1 1 472.590 1.740 20 0 JDADMO CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001502926740 1070888467 /nfs/dbraw/zinc/88/84/67/1070888467.db2.gz JRSOMKNKQIFZDA-VGOFRKELSA-N 1 1 493.634 1.031 20 0 JDADMO COc1ccc(CCc2nnc(N3C[C@@H](C)[C@@H]([NH+]4CCOCC4)C3)n2CCCNC(C)=O)cc1 ZINC001504223659 1070892665 /nfs/dbraw/zinc/89/26/65/1070892665.db2.gz FHNQUNPVWIHXTI-XXBNENTESA-N 1 1 470.618 1.755 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC(CC(N)=O)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001504225193 1070892695 /nfs/dbraw/zinc/89/26/95/1070892695.db2.gz HSZYRXGBIVOMMU-DEOSSOPVSA-N 1 1 456.591 1.230 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001504227345 1070893458 /nfs/dbraw/zinc/89/34/58/1070893458.db2.gz UTAGEUOWMOPZNM-UHFFFAOYSA-N 1 1 483.661 1.800 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC(C(N)=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504227345 1070893460 /nfs/dbraw/zinc/89/34/60/1070893460.db2.gz UTAGEUOWMOPZNM-UHFFFAOYSA-N 1 1 483.661 1.800 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC(C(N)=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504227345 1070893462 /nfs/dbraw/zinc/89/34/62/1070893462.db2.gz UTAGEUOWMOPZNM-UHFFFAOYSA-N 1 1 483.661 1.800 20 0 JDADMO CCOC1CC(Cn2c(C)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)([NH+]2CCOCC2)C1 ZINC001502937383 1070893470 /nfs/dbraw/zinc/89/34/70/1070893470.db2.gz CLTPENAJEQWBPM-MFMCRYCZSA-N 1 1 462.639 1.845 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC[N@H+](C(C)(C)C)CC3)n2CCNS(C)(=O)=O)cc1 ZINC001504227513 1070893922 /nfs/dbraw/zinc/89/39/22/1070893922.db2.gz DXVSVMDUXLUORA-UHFFFAOYSA-N 1 1 478.663 1.932 20 0 JDADMO COc1ccc(CCc2nnc(N3CCC(NC(=O)C(C)C)CC3)n2C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC001504228479 1070894322 /nfs/dbraw/zinc/89/43/22/1070894322.db2.gz MAQNTNLPSUUGPF-AREMUKBSSA-N 1 1 484.645 1.880 20 0 JDADMO CCOC1CC(Cn2c(C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)([NH+]2CCOCC2)C1 ZINC001502938225 1070894578 /nfs/dbraw/zinc/89/45/78/1070894578.db2.gz JXBAXYDMGDGAOR-VQSBYGRUSA-N 1 1 460.545 1.929 20 0 JDADMO CCOC1CC(Cn2c(-c3cccnc3)nnc2N(C)CC(=O)NC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001502938520 1070894635 /nfs/dbraw/zinc/89/46/35/1070894635.db2.gz MYGLNKGQAHXKRZ-UHFFFAOYSA-N 1 1 485.633 1.961 20 0 JDADMO CCOC1CC(Cn2c(CC)nnc2N2CCN(CC(F)(F)F)CC2)([NH+]2CCOCC2)C1 ZINC001502938715 1070894989 /nfs/dbraw/zinc/89/49/89/1070894989.db2.gz KGZXBNARWPCPFM-UHFFFAOYSA-N 1 1 460.545 1.795 20 0 JDADMO CCOC1CC(Cn2c(C)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)([NH+]2CCOCC2)C1 ZINC001502939252 1070895017 /nfs/dbraw/zinc/89/50/17/1070895017.db2.gz WWCTYBAATQJBLQ-PPDQVPDSSA-N 1 1 460.545 1.929 20 0 JDADMO CCOC1CC(Cn2c(CC)nnc2N2CCO[C@@H](COC(C)C)C2)([NH+]2CCOCC2)C1 ZINC001502939017 1070895084 /nfs/dbraw/zinc/89/50/84/1070895084.db2.gz LOSZCSGPOJFGAD-LRZVDXDASA-N 1 1 451.612 1.741 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(CC(F)(F)F)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC001504230459 1070895336 /nfs/dbraw/zinc/89/53/36/1070895336.db2.gz HHYNDFNPISFZFV-QFIPXVFZSA-N 1 1 482.551 1.823 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(C)C(=O)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)cc1 ZINC001504231073 1070896516 /nfs/dbraw/zinc/89/65/16/1070896516.db2.gz LIHXIIAOTSJTJJ-JOCHJYFZSA-N 1 1 470.618 1.707 20 0 JDADMO COc1ccc(CCc2nnc(N3CC[N@H+]4CCCC[C@@H]4C3)n2CCS(=O)(=O)N(C)C)cc1 ZINC001504231133 1070896927 /nfs/dbraw/zinc/89/69/27/1070896927.db2.gz PLKKCMJRVWVRME-HXUWFJFHSA-N 1 1 476.647 1.638 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC001504231745 1070897565 /nfs/dbraw/zinc/89/75/65/1070897565.db2.gz WQSFATBQFAFZQK-HXUWFJFHSA-N 1 1 490.674 1.885 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001504231940 1070897903 /nfs/dbraw/zinc/89/79/03/1070897903.db2.gz SRXPEHZXFBRSCG-UHFFFAOYSA-N 1 1 483.661 1.766 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504231940 1070897906 /nfs/dbraw/zinc/89/79/06/1070897906.db2.gz SRXPEHZXFBRSCG-UHFFFAOYSA-N 1 1 483.661 1.766 20 0 JDADMO COc1ccc(CCc2nnc(N3CCN(C(C)=O)CC3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1 ZINC001504231940 1070897907 /nfs/dbraw/zinc/89/79/07/1070897907.db2.gz SRXPEHZXFBRSCG-UHFFFAOYSA-N 1 1 483.661 1.766 20 0 JDADMO CCOC1CC(O)(Cn2c(C(=O)NC(C)C)nnc2N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC001502958331 1070900355 /nfs/dbraw/zinc/90/03/55/1070900355.db2.gz VLIRMKRMUMMAKL-IMHYJWESSA-N 1 1 464.611 1.036 20 0 JDADMO COc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)cc1 ZINC001504236629 1070901672 /nfs/dbraw/zinc/90/16/72/1070901672.db2.gz CPWHWYGILKMTQG-XMMPIXPASA-N 1 1 456.591 1.969 20 0 JDADMO CCOC1CC(O)(Cn2c(-c3cc(Br)cn3C)nnc2N2CC[NH+](CCOC)CC2)C1 ZINC001502960810 1070904575 /nfs/dbraw/zinc/90/45/75/1070904575.db2.gz ZJUMFYQNTHBZAW-UHFFFAOYSA-N 1 1 497.438 1.745 20 0 JDADMO COc1ccc(CCn2c(C)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCN(C(C)=O)CC3)C2)c(OC)c1 ZINC001504239872 1070907202 /nfs/dbraw/zinc/90/72/02/1070907202.db2.gz VDMQVSZXOLZBAS-VGSWGCGISA-N 1 1 456.591 1.835 20 0 JDADMO 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XRGJEADAPHILKZ-UHFFFAOYSA-N 1 1 471.606 1.903 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCCCO3)CC1 ZINC001503217162 1071167155 /nfs/dbraw/zinc/16/71/55/1071167155.db2.gz VBZHHCWDFKOFGV-UHFFFAOYSA-N 1 1 472.590 1.784 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)CC1 ZINC001503217254 1071167187 /nfs/dbraw/zinc/16/71/87/1071167187.db2.gz XAKFCRNXDZRSNT-UHFFFAOYSA-N 1 1 453.551 1.174 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@H]2C)CC1 ZINC001503218059 1071168945 /nfs/dbraw/zinc/16/89/45/1071168945.db2.gz XFLREHOJVVJPJX-QGZVFWFLSA-N 1 1 496.454 1.915 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001503218058 1071169556 /nfs/dbraw/zinc/16/95/56/1071169556.db2.gz XFLREHOJVVJPJX-KRWDZBQOSA-N 1 1 496.454 1.915 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc(-c2cnn(C)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504420711 1071174464 /nfs/dbraw/zinc/17/44/64/1071174464.db2.gz MKVRBHHARSOWKJ-UHFFFAOYSA-N 1 1 469.590 1.797 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001503218462 1071170501 /nfs/dbraw/zinc/17/05/01/1071170501.db2.gz CBRQNDRBGVEORE-UHFFFAOYSA-N 1 1 483.564 1.668 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001504418492 1071172072 /nfs/dbraw/zinc/17/20/72/1071172072.db2.gz ZORNSMJSDMVTOT-UHFFFAOYSA-N 1 1 474.675 1.720 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C[C@H]1CC ZINC001503220497 1071174667 /nfs/dbraw/zinc/17/46/67/1071174667.db2.gz LHRUGNFNXVGPQJ-QZTJIDSGSA-N 1 1 461.611 1.212 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)C[C@H]1CC ZINC001503219797 1071173174 /nfs/dbraw/zinc/17/31/74/1071173174.db2.gz QFAAMRJPUOGPRZ-LEWJYISDSA-N 1 1 459.639 1.941 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)CC1 ZINC001504423217 1071178038 /nfs/dbraw/zinc/17/80/38/1071178038.db2.gz DPHJYJVSUTUTHQ-UHFFFAOYSA-N 1 1 485.539 1.976 20 0 JDADMO 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CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 ZINC001500708142 1069298659 /nfs/dbraw/zinc/29/86/59/1069298659.db2.gz NUNXWJWAEDHLQL-MIZPHKNDSA-N 1 1 483.679 1.923 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CCC2)C1 ZINC001500703673 1069298888 /nfs/dbraw/zinc/29/88/88/1069298888.db2.gz UIUWVGKHVHSSPA-DRKIFQHWSA-N 1 1 450.653 1.983 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)N(C)C)C1 ZINC001500712742 1069299807 /nfs/dbraw/zinc/29/98/07/1069299807.db2.gz UHXSVZYPNSVFFL-SFHVURJKSA-N 1 1 492.646 1.776 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)N(C)C)C1 ZINC001500710995 1069299908 /nfs/dbraw/zinc/29/99/08/1069299908.db2.gz BFZHIVGLMHLYBH-QGZVFWFLSA-N 1 1 478.619 1.733 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)(F)F)C1 ZINC001500716608 1069300621 /nfs/dbraw/zinc/30/06/21/1069300621.db2.gz LVTMIBKIIPFRHV-AWEZNQCLSA-N 1 1 485.511 1.852 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 ZINC001500714895 1069301187 /nfs/dbraw/zinc/30/11/87/1069301187.db2.gz APVWTTKSPWGBAA-QZTJIDSGSA-N 1 1 491.637 1.691 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)C1 ZINC001500715302 1069301570 /nfs/dbraw/zinc/30/15/70/1069301570.db2.gz FOFBXJIYWKVYSJ-ZWKOTPCHSA-N 1 1 466.652 1.755 20 0 JDADMO NC(=O)[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)C1 ZINC001474907385 1069301715 /nfs/dbraw/zinc/30/17/15/1069301715.db2.gz AWCRWXBFAAYTBO-AEFFLSMTSA-N 1 1 458.422 1.813 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)nc2OC)C1 ZINC001500716922 1069301731 /nfs/dbraw/zinc/30/17/31/1069301731.db2.gz OIEBWDONBIAKKN-FUHWJXTLSA-N 1 1 457.579 1.858 20 0 JDADMO NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)[C@H]2CCc3cc(Br)ccc3C2)C1 ZINC001474907389 1069301973 /nfs/dbraw/zinc/30/19/73/1069301973.db2.gz AWCRWXBFAAYTBO-WMZOPIPTSA-N 1 1 458.422 1.813 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCC(=O)N(C)C)C1 ZINC001500716787 1069302100 /nfs/dbraw/zinc/30/21/00/1069302100.db2.gz NATVQJDHBLVRPZ-GOSISDBHSA-N 1 1 480.617 1.838 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC(=O)N(C)C)C1 ZINC001500717241 1069303223 /nfs/dbraw/zinc/30/32/23/1069303223.db2.gz VGFKJDIJQALBPK-GOSISDBHSA-N 1 1 480.617 1.931 20 0 JDADMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303319 /nfs/dbraw/zinc/30/33/19/1069303319.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 1 1 496.722 1.849 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303341 /nfs/dbraw/zinc/30/33/41/1069303341.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 1 1 496.722 1.849 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)C1 ZINC001500720118 1069303384 /nfs/dbraw/zinc/30/33/84/1069303384.db2.gz CHOXPGYACGEAFT-PXNSSMCTSA-N 1 1 478.619 1.508 20 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20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)C1 ZINC001500721206 1069304595 /nfs/dbraw/zinc/30/45/95/1069304595.db2.gz UDMNWEFPMCLKEX-TZIWHRDSSA-N 1 1 491.662 1.417 20 0 JDADMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C1 ZINC001500721609 1069304682 /nfs/dbraw/zinc/30/46/82/1069304682.db2.gz ZXKAUWYTJCQVQQ-YSIASYRMSA-N 1 1 452.669 1.689 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C1 ZINC001500721609 1069304695 /nfs/dbraw/zinc/30/46/95/1069304695.db2.gz ZXKAUWYTJCQVQQ-YSIASYRMSA-N 1 1 452.669 1.689 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 ZINC001500721120 1069304876 /nfs/dbraw/zinc/30/48/76/1069304876.db2.gz SDFAVXXZPGUDEF-YLJYHZDGSA-N 1 1 495.625 1.362 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(F)cn2)C1 ZINC001500721119 1069305092 /nfs/dbraw/zinc/30/50/92/1069305092.db2.gz SDFAVXXZPGUDEF-XLIONFOSSA-N 1 1 495.625 1.362 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)C1 ZINC001500721437 1069305157 /nfs/dbraw/zinc/30/51/57/1069305157.db2.gz YGADGGYNQZCUFP-DLBZAZTESA-N 1 1 466.608 1.531 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCc2ccccn2)C1 ZINC001500721204 1069305311 /nfs/dbraw/zinc/30/53/11/1069305311.db2.gz UDMNWEFPMCLKEX-FPOVZHCZSA-N 1 1 491.662 1.417 20 0 JDADMO CCCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001500737951 1069305831 /nfs/dbraw/zinc/30/58/31/1069305831.db2.gz COMJFDVHPIQDNE-OAQYLSRUSA-N 1 1 450.609 1.498 20 0 JDADMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001500726736 1069306331 /nfs/dbraw/zinc/30/63/31/1069306331.db2.gz ZAXNQFNRLXYLKX-NHCUHLMSSA-N 1 1 475.663 1.856 20 0 JDADMO CCCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001500761024 1069307470 /nfs/dbraw/zinc/30/74/70/1069307470.db2.gz PYKAHRQLXGANDN-JTSKRJEESA-N 1 1 452.600 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CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 ZINC001509519174 1073663400 /nfs/dbraw/zinc/66/34/00/1073663400.db2.gz RYLXUCFEPLIARV-IBGZPJMESA-N 1 1 474.631 1.890 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001509519827 1073664318 /nfs/dbraw/zinc/66/43/18/1073664318.db2.gz VJBXPHIRDHFQAF-GOSISDBHSA-N 1 1 456.657 1.968 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001509519829 1073664331 /nfs/dbraw/zinc/66/43/31/1073664331.db2.gz VJBXPHIRDHFQAF-SFHVURJKSA-N 1 1 456.657 1.968 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001509520993 1073664980 /nfs/dbraw/zinc/66/49/80/1073664980.db2.gz CYWVKNKDKJMJCV-UHFFFAOYSA-N 1 1 452.581 1.359 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001509520531 1073665195 /nfs/dbraw/zinc/66/51/95/1073665195.db2.gz ASPSWXDHRQUXLB-MOPGFXCFSA-N 1 1 454.641 1.517 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CC(N)=O)CC1 ZINC001509524381 1073666433 /nfs/dbraw/zinc/66/64/33/1073666433.db2.gz ZLCDFJROJSRMOP-UHFFFAOYSA-N 1 1 469.638 1.884 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCOC2(CCOCC2)C1 ZINC001509526733 1073667394 /nfs/dbraw/zinc/66/73/94/1073667394.db2.gz VSCCKQGJVVOZCT-UHFFFAOYSA-N 1 1 462.620 1.996 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001509526559 1073667424 /nfs/dbraw/zinc/66/74/24/1073667424.db2.gz HXRYGZWEONFSGO-UHFFFAOYSA-N 1 1 488.036 1.790 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 ZINC001509527048 1073667502 /nfs/dbraw/zinc/66/75/02/1073667502.db2.gz MRXHMHGJLKUJNU-NRFANRHFSA-N 1 1 450.591 1.962 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001509526557 1073667611 /nfs/dbraw/zinc/66/76/11/1073667611.db2.gz HVNKSIZKZLAITI-HXUWFJFHSA-N 1 1 480.679 1.749 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 ZINC001509527478 1073668287 /nfs/dbraw/zinc/66/82/87/1073668287.db2.gz KUYGATKWDZMZMB-SFHVURJKSA-N 1 1 482.676 1.966 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001509528345 1073669491 /nfs/dbraw/zinc/66/94/91/1073669491.db2.gz RKKAJMYCEXEWLK-NRFANRHFSA-N 1 1 471.606 1.341 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 ZINC001509527992 1073669530 /nfs/dbraw/zinc/66/95/30/1073669530.db2.gz SWADOVCSWWUHKQ-UHFFFAOYSA-N 1 1 454.501 1.970 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001509530361 1073670378 /nfs/dbraw/zinc/67/03/78/1073670378.db2.gz SMVGAGLQGAYWCG-XMSQKQJNSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509530361 1073670383 /nfs/dbraw/zinc/67/03/83/1073670383.db2.gz SMVGAGLQGAYWCG-XMSQKQJNSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001509529156 1073670433 /nfs/dbraw/zinc/67/04/33/1073670433.db2.gz FEKRMABXHANSDX-GOSISDBHSA-N 1 1 467.596 1.110 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001509553702 1073677603 /nfs/dbraw/zinc/67/76/03/1073677603.db2.gz CKJDIUSLONLERW-QGZVFWFLSA-N 1 1 461.592 1.281 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCNS(C)(=O)=O)CC1 ZINC001509558125 1073680982 /nfs/dbraw/zinc/68/09/82/1073680982.db2.gz AUGNBOMSVPZTSV-UHFFFAOYSA-N 1 1 488.618 1.454 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCS(C)(=O)=O)CC1 ZINC001509558191 1073681075 /nfs/dbraw/zinc/68/10/75/1073681075.db2.gz BAPISHPWZPAUMD-OAQYLSRUSA-N 1 1 493.630 1.772 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001509558888 1073682091 /nfs/dbraw/zinc/68/20/91/1073682091.db2.gz CWQSGLIBUIHRAY-YADARESESA-N 1 1 494.637 1.658 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001509564183 1073685665 /nfs/dbraw/zinc/68/56/65/1073685665.db2.gz LTBJJYKBEDTMTA-LJQANCHMSA-N 1 1 483.608 1.791 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCNS(C)(=O)=O)CC1 ZINC001509563639 1073685677 /nfs/dbraw/zinc/68/56/77/1073685677.db2.gz PWJVSUQYEOZIEN-UHFFFAOYSA-N 1 1 468.599 1.856 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(Nc3ccn(C)n3)nnc2[C@H]2CN(S(C)(=O)=O)CCO2)C1 ZINC001509564154 1073685761 /nfs/dbraw/zinc/68/57/61/1073685761.db2.gz LHCMWWQOKCQQJW-IAGOWNOFSA-N 1 1 466.612 1.209 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001509564226 1073686335 /nfs/dbraw/zinc/68/63/35/1073686335.db2.gz TYFZBIYQNXOBQX-GOSISDBHSA-N 1 1 466.652 1.534 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(N3CCN(C(=O)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)C1 ZINC001509565448 1073687320 /nfs/dbraw/zinc/68/73/20/1073687320.db2.gz QYZAFGTUPRZIFE-GOSISDBHSA-N 1 1 459.639 1.623 20 0 JDADMO CC(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509565245 1073687844 /nfs/dbraw/zinc/68/78/44/1073687844.db2.gz CPNMMKJEYSPUKP-OAQYLSRUSA-N 1 1 455.607 1.748 20 0 JDADMO CC(C)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509569876 1073689578 /nfs/dbraw/zinc/68/95/78/1073689578.db2.gz QDUZETOSGWBIHD-HXUWFJFHSA-N 1 1 457.627 1.152 20 0 JDADMO CC(C)N1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509569876 1073689580 /nfs/dbraw/zinc/68/95/80/1073689580.db2.gz QDUZETOSGWBIHD-HXUWFJFHSA-N 1 1 457.627 1.152 20 0 JDADMO CC(C)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001509571411 1073690610 /nfs/dbraw/zinc/69/06/10/1073690610.db2.gz QQVJFCHXQMUPQY-UHFFFAOYSA-N 1 1 469.634 1.920 20 0 JDADMO CC(C)N1CC[NH+](C2CCN(c3nnc(CC(C)(C)C)n3CCOCCS(C)(=O)=O)CC2)CC1 ZINC001509579124 1073699103 /nfs/dbraw/zinc/69/91/03/1073699103.db2.gz IOBUVRHVOHQHKM-UHFFFAOYSA-N 1 1 498.738 1.923 20 0 JDADMO 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CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001502309401 1070067498 /nfs/dbraw/zinc/06/74/98/1070067498.db2.gz DHPQTYMDUJPQBM-OKYOBFRVSA-N 1 1 455.673 1.397 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCSC)CC2)CC1 ZINC001502309583 1070067763 /nfs/dbraw/zinc/06/77/63/1070067763.db2.gz IFFIHMITOVOJHT-LJQANCHMSA-N 1 1 477.679 1.753 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2Cc3ccccc3[C@H]2C)CC1 ZINC001502309787 1070067802 /nfs/dbraw/zinc/06/78/02/1070067802.db2.gz MYNZOQWTGZAVBA-GUDVDZBRSA-N 1 1 475.663 1.996 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502310307 1070072213 /nfs/dbraw/zinc/07/22/13/1070072213.db2.gz WWOWVGDYEZVPRX-NJYVYQBISA-N 1 1 463.671 1.795 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cscn2)CC1 ZINC001502310323 1070072427 /nfs/dbraw/zinc/07/24/27/1070072427.db2.gz XJFNXCCQLDZQLO-CVEARBPZSA-N 1 1 470.669 1.007 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C(C)C)nnc2N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC001502310306 1070072590 /nfs/dbraw/zinc/07/25/90/1070072590.db2.gz WWOWVGDYEZVPRX-NJDAHSKKSA-N 1 1 463.671 1.795 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001502310432 1070073100 /nfs/dbraw/zinc/07/31/00/1070073100.db2.gz ZGZZYCHTRDIDKM-VQTJNVASSA-N 1 1 460.671 1.217 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001502310423 1070073802 /nfs/dbraw/zinc/07/38/02/1070073802.db2.gz ZEKNMXOIQPINPY-SJORKVTESA-N 1 1 499.632 1.829 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502311094 1070078628 /nfs/dbraw/zinc/07/86/28/1070078628.db2.gz MOPLNPQAUCMFGP-RTBURBONSA-N 1 1 485.633 1.655 20 0 JDADMO O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 ZINC001479003746 1070078846 /nfs/dbraw/zinc/07/88/46/1070078846.db2.gz WYABJKJEWCKTKE-DNVJHFABSA-N 1 1 457.619 1.823 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502311027 1070076721 /nfs/dbraw/zinc/07/67/21/1070076721.db2.gz LGGWXRKQXVWHSL-MSOLQXFVSA-N 1 1 479.651 1.343 20 0 JDADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997712 1070077006 /nfs/dbraw/zinc/07/70/06/1070077006.db2.gz VKZGZWUELLYECE-LJQANCHMSA-N 1 1 453.628 1.822 20 0 JDADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997712 1070077026 /nfs/dbraw/zinc/07/70/26/1070077026.db2.gz VKZGZWUELLYECE-LJQANCHMSA-N 1 1 453.628 1.822 20 0 JDADMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997711 1070077213 /nfs/dbraw/zinc/07/72/13/1070077213.db2.gz VKZGZWUELLYECE-IBGZPJMESA-N 1 1 453.628 1.822 20 0 JDADMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 ZINC001478997711 1070077232 /nfs/dbraw/zinc/07/72/32/1070077232.db2.gz VKZGZWUELLYECE-IBGZPJMESA-N 1 1 453.628 1.822 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N(C)[C@H](C)CC(N)=O)CC1 ZINC001502311127 1070078153 /nfs/dbraw/zinc/07/81/53/1070078153.db2.gz NATUATDYQQMJGS-HZPDHXFCSA-N 1 1 495.470 1.772 20 0 JDADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502311893 1070081594 /nfs/dbraw/zinc/08/15/94/1070081594.db2.gz AZSXYRSLPQWXCM-FQEVSTJZSA-N 1 1 471.654 1.883 20 0 JDADMO CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001479045752 1070081945 /nfs/dbraw/zinc/08/19/45/1070081945.db2.gz KAPABPOSKNVADW-HMFYCAOWSA-N 1 1 452.596 1.691 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001502311867 1070082139 /nfs/dbraw/zinc/08/21/39/1070082139.db2.gz AJWXPMOCLAEEIZ-GOSISDBHSA-N 1 1 450.582 1.697 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001502312667 1070084518 /nfs/dbraw/zinc/08/45/18/1070084518.db2.gz PZDIHESHOKPFQH-VQTJNVASSA-N 1 1 490.678 1.132 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502311841 1070082203 /nfs/dbraw/zinc/08/22/03/1070082203.db2.gz AABIUFPUCBNADE-GBESFXJTSA-N 1 1 490.653 1.359 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001502311849 1070082262 /nfs/dbraw/zinc/08/22/62/1070082262.db2.gz ADKFXMDOPWSEOI-FQEVSTJZSA-N 1 1 456.639 1.883 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001502311868 1070082427 /nfs/dbraw/zinc/08/24/27/1070082427.db2.gz AJWXPMOCLAEEIZ-SFHVURJKSA-N 1 1 450.582 1.697 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(=O)N(C)C(C)C)CC2)CC1 ZINC001502312230 1070082496 /nfs/dbraw/zinc/08/24/96/1070082496.db2.gz IRZDXSNUWNBRNH-HXUWFJFHSA-N 1 1 485.681 1.788 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001502312363 1070083728 /nfs/dbraw/zinc/08/37/28/1070083728.db2.gz KSASDQGBIBLFAS-RDJZCZTQSA-N 1 1 454.501 1.529 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312553 1070084867 /nfs/dbraw/zinc/08/48/67/1070084867.db2.gz OIIQOZVWENIUGJ-DLBZAZTESA-N 1 1 495.554 1.266 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502312678 1070085051 /nfs/dbraw/zinc/08/50/51/1070085051.db2.gz QDQXHEHVXLEBLO-LJQANCHMSA-N 1 1 487.624 1.842 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3OC)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502312932 1070085818 /nfs/dbraw/zinc/08/58/18/1070085818.db2.gz VGRUCRNYLYRSGE-SFHLNBCPSA-N 1 1 486.617 1.340 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](OCCOC)C2)CC1 ZINC001502313006 1070086037 /nfs/dbraw/zinc/08/60/37/1070086037.db2.gz WKMYGIKQLRMXOB-FPOVZHCZSA-N 1 1 460.627 1.336 20 0 JDADMO CNS(=O)(=O)CCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(OC)cc1 ZINC001479091366 1070086332 /nfs/dbraw/zinc/08/63/32/1070086332.db2.gz BOZKGXQCKMVFCF-FCHUYYIVSA-N 1 1 460.600 1.902 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502313304 1070086755 /nfs/dbraw/zinc/08/67/55/1070086755.db2.gz BVTAHLDBVFPNOV-OAQYLSRUSA-N 1 1 473.641 1.802 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3OC)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502313173 1070086977 /nfs/dbraw/zinc/08/69/77/1070086977.db2.gz ZAJSUBJOZOEPGH-IBGZPJMESA-N 1 1 455.607 1.648 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC001502313366 1070087918 /nfs/dbraw/zinc/08/79/18/1070087918.db2.gz CTPWXHAUWJZPTN-FSSWDIPSSA-N 1 1 495.738 1.374 20 0 JDADMO CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)cc1 ZINC001479127875 1070089544 /nfs/dbraw/zinc/08/95/44/1070089544.db2.gz ANWJDCRFLHOMGZ-UHFFFAOYSA-N 1 1 451.637 1.337 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(=O)OC)CC2)CC1 ZINC001502314017 1070090795 /nfs/dbraw/zinc/09/07/95/1070090795.db2.gz OEZDFQZDZYYDMH-FQEVSTJZSA-N 1 1 485.633 1.792 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502314130 1070091302 /nfs/dbraw/zinc/09/13/02/1070091302.db2.gz QCKRESYNYXRACC-OAQYLSRUSA-N 1 1 456.639 1.058 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502313876 1070091588 /nfs/dbraw/zinc/09/15/88/1070091588.db2.gz LUAOEOKNZNAIMQ-SFHVURJKSA-N 1 1 467.684 1.480 20 0 JDADMO Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)C2)cc1 ZINC001479137814 1070092800 /nfs/dbraw/zinc/09/28/00/1070092800.db2.gz ZBMMMYZCGRLPLB-QHCPKHFHSA-N 1 1 457.619 1.391 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314406 1070093403 /nfs/dbraw/zinc/09/34/03/1070093403.db2.gz UWNXYBOMYSZJTI-WOJBJXKFSA-N 1 1 481.711 1.173 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502314460 1070093549 /nfs/dbraw/zinc/09/35/49/1070093549.db2.gz WABFBTLXPDDZMQ-LJQANCHMSA-N 1 1 469.634 1.605 20 0 JDADMO COC(=O)C1CC2(C1)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)CCS2(=O)=O ZINC001479144425 1070093534 /nfs/dbraw/zinc/09/35/34/1070093534.db2.gz UPCBJHOLGAVXJE-PCIYFURRSA-N 1 1 455.621 1.982 20 0 JDADMO CCN1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)CC1 ZINC001479151629 1070095139 /nfs/dbraw/zinc/09/51/39/1070095139.db2.gz GPOUISGJGWUEAH-UHFFFAOYSA-N 1 1 456.591 1.440 20 0 JDADMO CCN1CCC([N@H+]2CCCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)CC1 ZINC001479151629 1070095162 /nfs/dbraw/zinc/09/51/62/1070095162.db2.gz GPOUISGJGWUEAH-UHFFFAOYSA-N 1 1 456.591 1.440 20 0 JDADMO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001479153236 1070095988 /nfs/dbraw/zinc/09/59/88/1070095988.db2.gz PPNGUKACTNAQMW-OAQYLSRUSA-N 1 1 451.527 1.304 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502315228 1070098944 /nfs/dbraw/zinc/09/89/44/1070098944.db2.gz JJZWODYGKFLADE-HXUWFJFHSA-N 1 1 483.661 1.800 20 0 JDADMO 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CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCc3ccccc3F)C2)CC1 ZINC001502333394 1070176341 /nfs/dbraw/zinc/17/63/41/1070176341.db2.gz HSVQTFRZCBALAC-ICSRJNTNSA-N 1 1 493.653 1.486 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCOC)C2)CC1 ZINC001502333524 1070177307 /nfs/dbraw/zinc/17/73/07/1070177307.db2.gz KTNANIHVAWKSBX-INIZCTEOSA-N 1 1 452.401 1.898 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(CC)CCOCC3)C2)CC1 ZINC001502333491 1070177326 /nfs/dbraw/zinc/17/73/26/1070177326.db2.gz KGRLMHCTQJKVGG-PMACEKPBSA-N 1 1 497.710 1.311 20 0 JDADMO CCN1CCN(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC001502333568 1070177411 /nfs/dbraw/zinc/17/74/11/1070177411.db2.gz LQZGEUYZINJAOE-QZTJIDSGSA-N 1 1 496.682 1.099 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(CC)CCOCC3)C2)CC1 ZINC001502333494 1070178117 /nfs/dbraw/zinc/17/81/17/1070178117.db2.gz KGRLMHCTQJKVGG-WOJBJXKFSA-N 1 1 497.710 1.311 20 0 JDADMO 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JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001502346007 1070255279 /nfs/dbraw/zinc/25/52/79/1070255279.db2.gz IEKWLSHHDKIWGH-RBUKOAKNSA-N 1 1 459.664 1.871 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@](C)(C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346210 1070255549 /nfs/dbraw/zinc/25/55/49/1070255549.db2.gz JTDYLNYKJAGMAD-OPXMRZJTSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502346272 1070256175 /nfs/dbraw/zinc/25/61/75/1070256175.db2.gz KFCMRUQYWSDBKF-PZJWPPBQSA-N 1 1 461.655 1.236 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502346425 1070256625 /nfs/dbraw/zinc/25/66/25/1070256625.db2.gz LLJCLRCDQGUZCA-OAQYLSRUSA-N 1 1 468.650 1.596 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCNC(=O)C2)CC1 ZINC001502346279 1070257273 /nfs/dbraw/zinc/25/72/73/1070257273.db2.gz KKJUDZBAQYZMOB-SFHLNBCPSA-N 1 1 461.655 1.407 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001493219420 1070262852 /nfs/dbraw/zinc/26/28/52/1070262852.db2.gz XTZFNIUFSKBIKI-OTWHNJEPSA-N 1 1 480.679 1.780 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCN(CC(=O)N(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001502346893 1070260115 /nfs/dbraw/zinc/26/01/15/1070260115.db2.gz PRYYTNDNCCVJSX-FQEVSTJZSA-N 1 1 462.687 1.059 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001502347000 1070260217 /nfs/dbraw/zinc/26/02/17/1070260217.db2.gz RNTRGIFSQVWLNO-PMACEKPBSA-N 1 1 461.655 1.535 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502346984 1070260460 /nfs/dbraw/zinc/26/04/60/1070260460.db2.gz RICHMZXUVADWBV-FQEVSTJZSA-N 1 1 460.671 1.746 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001502346962 1070260570 /nfs/dbraw/zinc/26/05/70/1070260570.db2.gz QYIFQWOGVKPNFX-IBGZPJMESA-N 1 1 454.623 1.239 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502347321 1070262426 /nfs/dbraw/zinc/26/24/26/1070262426.db2.gz XTRJHTDWODIDRJ-IBGZPJMESA-N 1 1 485.681 1.505 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001493219404 1070262727 /nfs/dbraw/zinc/26/27/27/1070262727.db2.gz QFPCNZISQRMLLM-FCGDIQPGSA-N 1 1 456.657 1.872 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC001502347409 1070264198 /nfs/dbraw/zinc/26/41/98/1070264198.db2.gz ZJKSNIYKDZDLSJ-OAQYLSRUSA-N 1 1 491.681 1.608 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502350841 1070268222 /nfs/dbraw/zinc/26/82/22/1070268222.db2.gz DYDSCQOYUGZRIC-NRFANRHFSA-N 1 1 470.622 1.017 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001502349284 1070265714 /nfs/dbraw/zinc/26/57/14/1070265714.db2.gz SFNTYOVIFMTFQL-VQTJNVASSA-N 1 1 469.700 1.932 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502349266 1070266278 /nfs/dbraw/zinc/26/62/78/1070266278.db2.gz RWPHGEWLXVOSJM-UHFFFAOYSA-N 1 1 493.653 1.584 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(F)(F)C2)CC1 ZINC001502349366 1070266886 /nfs/dbraw/zinc/26/68/86/1070266886.db2.gz VQOQBSHANNEEPK-MRXNPFEDSA-N 1 1 463.599 1.151 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001502349415 1070267722 /nfs/dbraw/zinc/26/77/22/1070267722.db2.gz XHKJDOIHELPWFC-NRFANRHFSA-N 1 1 490.674 1.995 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001502350994 1070268559 /nfs/dbraw/zinc/26/85/59/1070268559.db2.gz ISUDNADCKNUJCL-MOPGFXCFSA-N 1 1 461.611 1.036 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCCO3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502351424 1070272989 /nfs/dbraw/zinc/27/29/89/1070272989.db2.gz VPHSDNOSMZTZHC-OAQYLSRUSA-N 1 1 477.654 1.232 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC[C@H](NC(=O)C(C)C)C2)CC1 ZINC001502351512 1070273250 /nfs/dbraw/zinc/27/32/50/1070273250.db2.gz YVWIQUIFTJDZEO-NRFANRHFSA-N 1 1 483.665 1.894 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)C1 ZINC001493264191 1070269384 /nfs/dbraw/zinc/26/93/84/1070269384.db2.gz CKPHQXCKLXAZHZ-PLACYPQZSA-N 1 1 498.694 1.594 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001502350997 1070269841 /nfs/dbraw/zinc/26/98/41/1070269841.db2.gz ISUDNADCKNUJCL-RTBURBONSA-N 1 1 461.611 1.036 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264119 1070269971 /nfs/dbraw/zinc/26/99/71/1070269971.db2.gz BWPHNEXHKSVZCA-YHDCXSKOSA-N 1 1 495.694 1.219 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 ZINC001493265882 1070271105 /nfs/dbraw/zinc/27/11/05/1070271105.db2.gz ZRLMYICUOIIIQN-ZCNNSNEGSA-N 1 1 459.639 1.939 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCCCO3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001502351423 1070271572 /nfs/dbraw/zinc/27/15/72/1070271572.db2.gz VPHSDNOSMZTZHC-NRFANRHFSA-N 1 1 477.654 1.232 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267457 1070272139 /nfs/dbraw/zinc/27/21/39/1070272139.db2.gz WHCXEPOKISFBRH-NSHGMRRFSA-N 1 1 474.654 1.825 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267277 1070272353 /nfs/dbraw/zinc/27/23/53/1070272353.db2.gz VLFQOBWXEQXXEX-BGYRXZFFSA-N 1 1 471.654 1.844 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267569 1070272578 /nfs/dbraw/zinc/27/25/78/1070272578.db2.gz XFROJAGXWUIFRX-HCXYKTFWSA-N 1 1 483.683 1.348 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001502352395 1070273846 /nfs/dbraw/zinc/27/38/46/1070273846.db2.gz AQCPNKYBJDASCJ-UHFFFAOYSA-N 1 1 461.655 1.504 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001502352715 1070275322 /nfs/dbraw/zinc/27/53/22/1070275322.db2.gz LYZWOGRCGGXYRZ-UHFFFAOYSA-N 1 1 456.595 1.107 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001502352785 1070276661 /nfs/dbraw/zinc/27/66/61/1070276661.db2.gz NWXBQAQWOLDONU-LJQANCHMSA-N 1 1 483.621 1.010 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(C(C)=O)CC2)CC1 ZINC001502352777 1070276808 /nfs/dbraw/zinc/27/68/08/1070276808.db2.gz NRRBAFIGMHEFCH-UHFFFAOYSA-N 1 1 496.660 1.843 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493275835 1070276844 /nfs/dbraw/zinc/27/68/44/1070276844.db2.gz QRUZWZJDECTJLP-OYRHEFFESA-N 1 1 483.665 1.750 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCSC3(CCOCC3)C2)CC1 ZINC001502352930 1070276956 /nfs/dbraw/zinc/27/69/56/1070276956.db2.gz SKGKTYYNEZCINC-UHFFFAOYSA-N 1 1 479.695 1.546 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502352908 1070277040 /nfs/dbraw/zinc/27/70/40/1070277040.db2.gz RWEWSGYMYKHYKJ-OAQYLSRUSA-N 1 1 468.650 1.644 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(CNC(=O)c3cccs3)nnc2N2CCNC(=O)CC2)C1 ZINC001493281769 1070277506 /nfs/dbraw/zinc/27/75/06/1070277506.db2.gz JTUMVFJCVWDJTL-HDICACEKSA-N 1 1 473.647 1.964 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001502352957 1070278210 /nfs/dbraw/zinc/27/82/10/1070278210.db2.gz TVZLDMSJUJCGDZ-FQEVSTJZSA-N 1 1 475.638 1.208 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502353003 1070279060 /nfs/dbraw/zinc/27/90/60/1070279060.db2.gz VEIMHYSPFXAHKA-PWRODBHTSA-N 1 1 450.628 1.787 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC001502354281 1070281589 /nfs/dbraw/zinc/28/15/89/1070281589.db2.gz FTJITIYNPHWZRN-HSZRJFAPSA-N 1 1 485.633 1.323 20 0 JDADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001502354619 1070281875 /nfs/dbraw/zinc/28/18/75/1070281875.db2.gz LJKUFBCKDZYTTO-IBGZPJMESA-N 1 1 451.616 1.344 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCC(NC(=O)COC)CC2)CC1 ZINC001502354590 1070282053 /nfs/dbraw/zinc/28/20/53/1070282053.db2.gz KZSGDBCXVOYURV-UHFFFAOYSA-N 1 1 473.622 1.606 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001502354932 1070283514 /nfs/dbraw/zinc/28/35/14/1070283514.db2.gz QGXOMBILCFOOEF-OKZBNKHCSA-N 1 1 473.713 1.246 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)CC1 ZINC001502354800 1070283596 /nfs/dbraw/zinc/28/35/96/1070283596.db2.gz NVFPOFDBTXUWRA-GOSISDBHSA-N 1 1 455.673 1.542 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001502354810 1070284102 /nfs/dbraw/zinc/28/41/02/1070284102.db2.gz OBZMDXNIFVYIMW-PMACEKPBSA-N 1 1 499.726 1.700 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001502354812 1070284276 /nfs/dbraw/zinc/28/42/76/1070284276.db2.gz OBZMDXNIFVYIMW-VQTJNVASSA-N 1 1 499.726 1.700 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001502355017 1070285860 /nfs/dbraw/zinc/28/58/60/1070285860.db2.gz RGQFQTQYYJQGAL-WOJBJXKFSA-N 1 1 469.700 1.788 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502356182 1070289350 /nfs/dbraw/zinc/28/93/50/1070289350.db2.gz LCZHNMNMEVKDSS-UHFFFAOYSA-N 1 1 470.622 1.443 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358181 1070292764 /nfs/dbraw/zinc/29/27/64/1070292764.db2.gz IQMTUSMZUMMHLV-LEWJYISDSA-N 1 1 497.710 1.313 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001493326797 1070291689 /nfs/dbraw/zinc/29/16/89/1070291689.db2.gz JBQGEQCQNJDRBD-SBHAEUEKSA-N 1 1 498.694 1.735 20 0 JDADMO 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458.632 1.957 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CC[N@@H+]2CC=CCC2)C1 ZINC001502479637 1070567959 /nfs/dbraw/zinc/56/79/59/1070567959.db2.gz BETUNLJINHRFEU-NRFANRHFSA-N 1 1 458.632 1.957 20 0 JDADMO C[C@@H]1CN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CC[N@@H+](C)C2)CC(C)(C)O1 ZINC001494363504 1070569590 /nfs/dbraw/zinc/56/95/90/1070569590.db2.gz KKGCRDUIRMOKJT-QZTZHPFYSA-N 1 1 494.637 1.657 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)[N@@H+](C)C2CC2)C1 ZINC001502479915 1070569932 /nfs/dbraw/zinc/56/99/32/1070569932.db2.gz HRVOHFKBBYXIHY-QAPCUYQASA-N 1 1 452.650 1.931 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001502479916 1070570109 /nfs/dbraw/zinc/57/01/09/1070570109.db2.gz HRVOHFKBBYXIHY-YJBOKZPZSA-N 1 1 452.650 1.931 20 0 JDADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)[N@@H+](C)C2CC2)C1 ZINC001502479914 1070570343 /nfs/dbraw/zinc/57/03/43/1070570343.db2.gz HRVOHFKBBYXIHY-MAUKXSAKSA-N 1 1 452.650 1.931 20 0 JDADMO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+](C)C2CCCC2)C[C@H](C)S1 ZINC001494363812 1070570552 /nfs/dbraw/zinc/57/05/52/1070570552.db2.gz LBOPVVSGYSIMDI-SCTDSRPQSA-N 1 1 486.708 1.816 20 0 JDADMO C[C@@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCOCC2)CCO1 ZINC001494367884 1070578057 /nfs/dbraw/zinc/57/80/57/1070578057.db2.gz ZWILZYLKXCGTBU-MOPGFXCFSA-N 1 1 480.610 1.534 20 0 JDADMO C[C@H]1CN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC[NH+]2CCOCC2)CCO1 ZINC001494367887 1070578259 /nfs/dbraw/zinc/57/82/59/1070578259.db2.gz ZWILZYLKXCGTBU-OALUTQOASA-N 1 1 480.610 1.534 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC001502480770 1070576737 /nfs/dbraw/zinc/57/67/37/1070576737.db2.gz VZOWBXDFYKIVNV-PMACEKPBSA-N 1 1 496.703 1.805 20 0 JDADMO C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC001494380690 1070578718 /nfs/dbraw/zinc/57/87/18/1070578718.db2.gz FVGTXUAJWCXJKT-RXVVDRJESA-N 1 1 490.674 1.914 20 0 JDADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CC[N@@H+]2CC=CCC2)C1 ZINC001502480977 1070579089 /nfs/dbraw/zinc/57/90/89/1070579089.db2.gz ZOUCXULERNVZSQ-LJQANCHMSA-N 1 1 462.595 1.788 20 0 JDADMO C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC001494392135 1070579664 /nfs/dbraw/zinc/57/96/64/1070579664.db2.gz AEGNLUJCLJDEKU-NQIIRXRSSA-N 1 1 495.621 1.226 20 0 JDADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001502482042 1070580221 /nfs/dbraw/zinc/58/02/21/1070580221.db2.gz BFVNOMGBHKFMRT-GUDVDZBRSA-N 1 1 454.641 1.768 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cc[nH+]c2C)C1 ZINC001502482202 1070582797 /nfs/dbraw/zinc/58/27/97/1070582797.db2.gz FLCWWIXWCHLKQU-FQEVSTJZSA-N 1 1 473.603 1.889 20 0 JDADMO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001502480946 1070578615 /nfs/dbraw/zinc/57/86/15/1070578615.db2.gz YYMOMDROGUTXGT-LEWJYISDSA-N 1 1 475.663 1.902 20 0 JDADMO CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CCC[N@H+]2CC)C1 ZINC001502483482 1070588725 /nfs/dbraw/zinc/58/87/25/1070588725.db2.gz QCNFMYOGVVDJAB-ROUUACIJSA-N 1 1 480.610 1.999 20 0 JDADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H](C(F)(F)F)O1 ZINC001494459298 1070590531 /nfs/dbraw/zinc/59/05/31/1070590531.db2.gz WNPYQJLFIKVZTC-CVEARBPZSA-N 1 1 474.528 1.667 20 0 JDADMO C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCOCC2)CCN1C(=O)OC(C)(C)C ZINC001494463696 1070592056 /nfs/dbraw/zinc/59/20/56/1070592056.db2.gz FJZXXUFLXZKLSQ-LJQANCHMSA-N 1 1 491.637 1.568 20 0 JDADMO C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@H+]2CCCO)CCCO1 ZINC001494466955 1070595005 /nfs/dbraw/zinc/59/50/05/1070595005.db2.gz GWNHELZITOKLQY-ROUUACIJSA-N 1 1 462.620 1.732 20 0 JDADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CCCO1 ZINC001494467319 1070595542 /nfs/dbraw/zinc/59/55/42/1070595542.db2.gz IYPBCXINBYGHTL-GOSISDBHSA-N 1 1 475.663 1.911 20 0 JDADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001494467319 1070595560 /nfs/dbraw/zinc/59/55/60/1070595560.db2.gz IYPBCXINBYGHTL-GOSISDBHSA-N 1 1 475.663 1.911 20 0 JDADMO C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CCCO1 ZINC001494467319 1070595582 /nfs/dbraw/zinc/59/55/82/1070595582.db2.gz IYPBCXINBYGHTL-GOSISDBHSA-N 1 1 475.663 1.911 20 0 JDADMO C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC(=O)N1C ZINC001494486865 1070600077 /nfs/dbraw/zinc/60/00/77/1070600077.db2.gz UZURPRUBNIYGKZ-AZUAARDMSA-N 1 1 474.581 1.900 20 0 JDADMO CCOC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001502491062 1070601917 /nfs/dbraw/zinc/60/19/17/1070601917.db2.gz FVPJRMNLWKZESR-UHFFFAOYSA-N 1 1 490.653 1.066 20 0 JDADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1NC(=O)OC(C)(C)C ZINC001494507624 1070605163 /nfs/dbraw/zinc/60/51/63/1070605163.db2.gz XMCLRPLEXOHXRJ-PEOGOYOCSA-N 1 1 450.584 1.546 20 0 JDADMO C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H]1NC(=O)OC(C)(C)C ZINC001494507623 1070605226 /nfs/dbraw/zinc/60/52/26/1070605226.db2.gz XMCLRPLEXOHXRJ-MPWIWIEXSA-N 1 1 450.584 1.546 20 0 JDADMO CCOC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC001502492147 1070605813 /nfs/dbraw/zinc/60/58/13/1070605813.db2.gz OEJYFIJXVCROEK-SBUREZEXSA-N 1 1 476.553 1.902 20 0 JDADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494518969 1070610050 /nfs/dbraw/zinc/61/00/50/1070610050.db2.gz MHDMSCKPIWALEL-DLBZAZTESA-N 1 1 458.567 1.126 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC001494518708 1070610206 /nfs/dbraw/zinc/61/02/06/1070610206.db2.gz LLJIOWPBGUHGDC-QZTJIDSGSA-N 1 1 470.578 1.128 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494516431 1070607966 /nfs/dbraw/zinc/60/79/66/1070607966.db2.gz BQBLCBNQLVNIIM-KSZLIROESA-N 1 1 472.656 1.393 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494516430 1070608045 /nfs/dbraw/zinc/60/80/45/1070608045.db2.gz BQBLCBNQLVNIIM-BZSNNMDCSA-N 1 1 472.656 1.393 20 0 JDADMO CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC001494516416 1070608082 /nfs/dbraw/zinc/60/80/82/1070608082.db2.gz BJNOPDLGSRKNNH-RDGPPVDQSA-N 1 1 472.656 1.249 20 0 JDADMO CCOC(=O)N1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001502493936 1070609771 /nfs/dbraw/zinc/60/97/71/1070609771.db2.gz KGIXZKDUGQGAGD-GBXCKJPGSA-N 1 1 494.637 1.566 20 0 JDADMO C[C@H](CC(N)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494518972 1070610480 /nfs/dbraw/zinc/61/04/80/1070610480.db2.gz MHDMSCKPIWALEL-SJORKVTESA-N 1 1 458.567 1.126 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(N)=O)C2)CCCO1 ZINC001494518707 1070610504 /nfs/dbraw/zinc/61/05/04/1070610504.db2.gz LLJIOWPBGUHGDC-MSOLQXFVSA-N 1 1 470.578 1.128 20 0 JDADMO CC(C)C(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001494520348 1070612414 /nfs/dbraw/zinc/61/24/14/1070612414.db2.gz UAEAWAVUPDZXKG-RTWAWAEBSA-N 1 1 489.665 1.756 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494520357 1070612688 /nfs/dbraw/zinc/61/26/88/1070612688.db2.gz UBVJIMPTVVOXKR-GUDVDZBRSA-N 1 1 472.656 1.252 20 0 JDADMO CC(C)C(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001494520347 1070612860 /nfs/dbraw/zinc/61/28/60/1070612860.db2.gz UAEAWAVUPDZXKG-NHCUHLMSSA-N 1 1 489.665 1.756 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520324 1070612898 /nfs/dbraw/zinc/61/28/98/1070612898.db2.gz TTZJQALZGKBVMW-IVDHNXQLSA-N 1 1 484.667 1.393 20 0 JDADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613496 /nfs/dbraw/zinc/61/34/96/1070613496.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 1 1 461.655 1.644 20 0 JDADMO CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613522 /nfs/dbraw/zinc/61/35/22/1070613522.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 1 1 461.655 1.644 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C(N)=O)cc2)CCCO1 ZINC001494522961 1070616018 /nfs/dbraw/zinc/61/60/18/1070616018.db2.gz JTVMDAPIFYRIEM-SFHVURJKSA-N 1 1 464.574 1.971 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494522664 1070616064 /nfs/dbraw/zinc/61/60/64/1070616064.db2.gz GVXQURUGXPQUJW-MSOLQXFVSA-N 1 1 452.625 1.654 20 0 JDADMO CC(C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001494520983 1070613780 /nfs/dbraw/zinc/61/37/80/1070613780.db2.gz WTEVEBIBDFBVDE-ROUUACIJSA-N 1 1 459.599 1.434 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494521664 1070613975 /nfs/dbraw/zinc/61/39/75/1070613975.db2.gz YWOWSVYVUQOJFW-QZTJIDSGSA-N 1 1 465.624 1.421 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cnccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494522552 1070616157 /nfs/dbraw/zinc/61/61/57/1070616157.db2.gz FHUAASVQRCSOEI-QZTJIDSGSA-N 1 1 463.608 1.249 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(-c3cccnc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CCCO1 ZINC001494522031 1070614827 /nfs/dbraw/zinc/61/48/27/1070614827.db2.gz BBSXDTNVRBNWBE-ICSRJNTNSA-N 1 1 462.620 1.854 20 0 JDADMO CCOC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001502499099 1070615163 /nfs/dbraw/zinc/61/51/63/1070615163.db2.gz VVTBJFPHPSOAGV-IBGZPJMESA-N 1 1 472.594 1.494 20 0 JDADMO CCOC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502498721 1070615308 /nfs/dbraw/zinc/61/53/08/1070615308.db2.gz HOSOECHDTPJFPH-HDICACEKSA-N 1 1 472.594 1.901 20 0 JDADMO CCOC(=O)N1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCC[N@@H+](C)CCOC)CC1 ZINC001502498799 1070615324 /nfs/dbraw/zinc/61/53/24/1070615324.db2.gz KFLHPKQJQBURRU-UHFFFAOYSA-N 1 1 498.588 1.841 20 0 JDADMO CCOC(=O)N1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001502493939 1070610586 /nfs/dbraw/zinc/61/05/86/1070610586.db2.gz KGIXZKDUGQGAGD-YKSBVNFPSA-N 1 1 494.637 1.566 20 0 JDADMO CCOC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001502500857 1070618250 /nfs/dbraw/zinc/61/82/50/1070618250.db2.gz STJSXIMOZVLMQT-MOPGFXCFSA-N 1 1 450.584 1.645 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCC(N)=O)CC2)CCCO1 ZINC001494529349 1070621299 /nfs/dbraw/zinc/62/12/99/1070621299.db2.gz IIBZQVYWQDZGBQ-QUCCMNQESA-N 1 1 496.678 1.163 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(-c3cnn(C)c3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494525154 1070618354 /nfs/dbraw/zinc/61/83/54/1070618354.db2.gz RXDRXBWAZIUFBD-UYAOXDASSA-N 1 1 479.651 1.583 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCCO1 ZINC001494528974 1070620138 /nfs/dbraw/zinc/62/01/38/1070620138.db2.gz 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1 498.694 1.738 20 0 JDADMO C[C@@H]1C[N@H+](CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC001494529687 1070623655 /nfs/dbraw/zinc/62/36/55/1070623655.db2.gz KPXLQUWIUUFNPA-CEXWTWQISA-N 1 1 490.653 1.359 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(F)(F)CC2)CCCO1 ZINC001494529709 1070623778 /nfs/dbraw/zinc/62/37/78/1070623778.db2.gz KYZMXOZTNOVDNX-SJORKVTESA-N 1 1 461.579 1.917 20 0 JDADMO CCOC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001502504436 1070624017 /nfs/dbraw/zinc/62/40/17/1070624017.db2.gz XMEFOMCQXJHLDV-SFHVURJKSA-N 1 1 490.678 1.938 20 0 JDADMO CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC001494531370 1070624833 /nfs/dbraw/zinc/62/48/33/1070624833.db2.gz SSEDVXJKIBTXIF-CTNGQTDRSA-N 1 1 489.665 1.813 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(CN3CCCC3=O)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494533103 1070625661 /nfs/dbraw/zinc/62/56/61/1070625661.db2.gz BMJRGSGUMYMHMT-VQTJNVASSA-N 1 1 496.678 1.305 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCC2(C)C)CCCO1 ZINC001494532561 1070625988 /nfs/dbraw/zinc/62/59/88/1070625988.db2.gz YCVADWDVDGZAKL-RTBURBONSA-N 1 1 484.667 1.491 20 0 JDADMO C[C@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626181 /nfs/dbraw/zinc/62/61/81/1070626181.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 1 1 496.722 1.992 20 0 JDADMO C[C@H]1CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626189 /nfs/dbraw/zinc/62/61/89/1070626189.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 1 1 496.722 1.992 20 0 JDADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001494548195 1070632713 /nfs/dbraw/zinc/63/27/13/1070632713.db2.gz NZLAJKSCFCSZJZ-FGTMMUONSA-N 1 1 482.651 1.720 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCO1 ZINC001494535950 1070628004 /nfs/dbraw/zinc/62/80/04/1070628004.db2.gz MCGXZSLVNZMCQA-FQEVSTJZSA-N 1 1 491.662 1.237 20 0 JDADMO CCOC(=O)N[C@@H](CC(C)C)Cn1c(C)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001502508742 1070628509 /nfs/dbraw/zinc/62/85/09/1070628509.db2.gz DCHJHPIDAOWJCE-VXKWHMMOSA-N 1 1 479.670 1.979 20 0 JDADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(C)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001502508741 1070628571 /nfs/dbraw/zinc/62/85/71/1070628571.db2.gz DCHJHPIDAOWJCE-FGZHOGPDSA-N 1 1 479.670 1.979 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(Cc3cccnc3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494536965 1070629009 /nfs/dbraw/zinc/62/90/09/1070629009.db2.gz PHCLKLDALMBRTO-SFHVURJKSA-N 1 1 450.609 1.246 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(Cc3cn4ccccc4n3)nnc2N(C)CCS(C)(=O)=O)CCCO1 ZINC001494538566 1070630304 /nfs/dbraw/zinc/63/03/04/1070630304.db2.gz VXVFZEYENLZIFM-IBGZPJMESA-N 1 1 489.646 1.498 20 0 JDADMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 ZINC001494543750 1070631180 /nfs/dbraw/zinc/63/11/80/1070631180.db2.gz BIBCOFKKYFKKHP-DOTOQJQBSA-N 1 1 451.597 1.356 20 0 JDADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F ZINC001494545148 1070631219 /nfs/dbraw/zinc/63/12/19/1070631219.db2.gz FWCRTUUXSONAMD-OWCLPIDISA-N 1 1 496.556 1.210 20 0 JDADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C ZINC001494548199 1070633047 /nfs/dbraw/zinc/63/30/47/1070633047.db2.gz NZLAJKSCFCSZJZ-KZNAEPCWSA-N 1 1 482.651 1.720 20 0 JDADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001502520117 1070635938 /nfs/dbraw/zinc/63/59/38/1070635938.db2.gz ILSITRHDOBPDOC-RTWAWAEBSA-N 1 1 488.637 1.821 20 0 JDADMO CCOC(=O)N[C@H](CC(C)C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001502520117 1070635947 /nfs/dbraw/zinc/63/59/47/1070635947.db2.gz ILSITRHDOBPDOC-RTWAWAEBSA-N 1 1 488.637 1.821 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001502520699 1070636833 /nfs/dbraw/zinc/63/68/33/1070636833.db2.gz PPNMYDUDKGABIQ-SFHVURJKSA-N 1 1 478.642 1.157 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)C[NH+]2CCOCC2)C1 ZINC001502520760 1070637603 /nfs/dbraw/zinc/63/76/03/1070637603.db2.gz QZYXHMOUMCPCEG-MSOLQXFVSA-N 1 1 465.599 1.100 20 0 JDADMO C[C@@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1 ZINC001494595595 1070648201 /nfs/dbraw/zinc/64/82/01/1070648201.db2.gz YGZJVEIFBOPLFI-ZBFHGGJFSA-N 1 1 453.385 1.992 20 0 JDADMO C[C@@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1 ZINC001494595595 1070648206 /nfs/dbraw/zinc/64/82/06/1070648206.db2.gz YGZJVEIFBOPLFI-ZBFHGGJFSA-N 1 1 453.385 1.992 20 0 JDADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1 ZINC001494595594 1070648272 /nfs/dbraw/zinc/64/82/72/1070648272.db2.gz YGZJVEIFBOPLFI-HOCLYGCPSA-N 1 1 453.385 1.992 20 0 JDADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1 ZINC001494595594 1070648277 /nfs/dbraw/zinc/64/82/77/1070648277.db2.gz YGZJVEIFBOPLFI-HOCLYGCPSA-N 1 1 453.385 1.992 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001502528437 1070648827 /nfs/dbraw/zinc/64/88/27/1070648827.db2.gz BSKNKETUTXMFMT-ICSRJNTNSA-N 1 1 499.620 1.393 20 0 JDADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC001502529802 1070649437 /nfs/dbraw/zinc/64/94/37/1070649437.db2.gz ZTURMCAMJHNTHO-CEXWTWQISA-N 1 1 477.610 1.181 20 0 JDADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001502529803 1070649593 /nfs/dbraw/zinc/64/95/93/1070649593.db2.gz ZTURMCAMJHNTHO-GUDVDZBRSA-N 1 1 477.610 1.181 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502526700 1070645384 /nfs/dbraw/zinc/64/53/84/1070645384.db2.gz QZFFVXGUNIFXMW-BXKMTCNYSA-N 1 1 488.589 1.744 20 0 JDADMO C[C@H]1COCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494593517 1070646439 /nfs/dbraw/zinc/64/64/39/1070646439.db2.gz QCBDDKVPNUEKQA-UONOGXRCSA-N 1 1 466.384 1.078 20 0 JDADMO C[C@H]1COCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494593517 1070646446 /nfs/dbraw/zinc/64/64/46/1070646446.db2.gz QCBDDKVPNUEKQA-UONOGXRCSA-N 1 1 466.384 1.078 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCC[NH+]2CCN(CC)CC2)C1 ZINC001502530452 1070651132 /nfs/dbraw/zinc/65/11/32/1070651132.db2.gz FDDGYLOSLNIZSE-PMACEKPBSA-N 1 1 463.627 1.525 20 0 JDADMO CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001502530379 1070651444 /nfs/dbraw/zinc/65/14/44/1070651444.db2.gz DMMZOKWRABCBQR-VAMGGRTRSA-N 1 1 464.611 1.734 20 0 JDADMO C[C@H]1COCCN1CCn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001494601966 1070651790 /nfs/dbraw/zinc/65/17/90/1070651790.db2.gz CNRNYYHIJUIOFF-FQEVSTJZSA-N 1 1 457.623 1.532 20 0 JDADMO C[C@H]1COCCN1CCn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001494601966 1070651796 /nfs/dbraw/zinc/65/17/96/1070651796.db2.gz CNRNYYHIJUIOFF-FQEVSTJZSA-N 1 1 457.623 1.532 20 0 JDADMO CCOC(=O)N[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001502535002 1070660228 /nfs/dbraw/zinc/66/02/28/1070660228.db2.gz RPBBLDYQPNYGQA-NTKDMRAZSA-N 1 1 472.590 1.681 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001502534794 1070660311 /nfs/dbraw/zinc/66/03/11/1070660311.db2.gz OBGCHTCYTPBLAW-IBGZPJMESA-N 1 1 490.653 1.141 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001502534794 1070660327 /nfs/dbraw/zinc/66/03/27/1070660327.db2.gz OBGCHTCYTPBLAW-IBGZPJMESA-N 1 1 490.653 1.141 20 0 JDADMO CCOC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001502534794 1070660338 /nfs/dbraw/zinc/66/03/38/1070660338.db2.gz OBGCHTCYTPBLAW-IBGZPJMESA-N 1 1 490.653 1.141 20 0 JDADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502536402 1070662691 /nfs/dbraw/zinc/66/26/91/1070662691.db2.gz ZUFUGFXDPJYXMW-PZJWPPBQSA-N 1 1 489.665 1.708 20 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COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@@H+]2CCOC[C@H]2C)c1 ZINC001504336488 1071065782 /nfs/dbraw/zinc/06/57/82/1071065782.db2.gz FISYPMQBSZNFKE-QGZVFWFLSA-N 1 1 458.563 1.145 20 0 JDADMO COc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[N@H+]2CCOC[C@H]2C)c1 ZINC001504336488 1071065798 /nfs/dbraw/zinc/06/57/98/1071065798.db2.gz FISYPMQBSZNFKE-QGZVFWFLSA-N 1 1 458.563 1.145 20 0 JDADMO COc1cccc(-c2nnc(N3CC[C@H](C(=O)NCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001504337096 1071066186 /nfs/dbraw/zinc/06/61/86/1071066186.db2.gz RBYPXTNYRZSIRE-KKSFZXQISA-N 1 1 482.507 1.525 20 0 JDADMO COc1cccc(-c2nnc(N3CCN(C(=O)C(=O)NC(C)C)CC3)n2CCCn2cc[nH+]c2C)c1 ZINC001504342174 1071071546 /nfs/dbraw/zinc/07/15/46/1071071546.db2.gz XRQYKYGQRMVGLX-UHFFFAOYSA-N 1 1 494.600 1.722 20 0 JDADMO COc1cccc(-c2nnc(N3CCN(C(=O)OCC(C)C)CC3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001504342223 1071071647 /nfs/dbraw/zinc/07/16/47/1071071647.db2.gz ZQFDVHJXOLIMAN-DEOSSOPVSA-N 1 1 472.590 1.935 20 0 JDADMO COc1cccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001504344302 1071074387 /nfs/dbraw/zinc/07/43/87/1071074387.db2.gz VLVZNIICKCICEZ-MBSDFSHPSA-N 1 1 492.646 1.128 20 0 JDADMO COc1cccc(-c2nnc(N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)n2C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001504344300 1071074421 /nfs/dbraw/zinc/07/44/21/1071074421.db2.gz VLVZNIICKCICEZ-FDDCHVKYSA-N 1 1 492.646 1.128 20 0 JDADMO CCOCc1nnc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1CC1CCN(C(C)=O)CC1 ZINC001503114033 1071074293 /nfs/dbraw/zinc/07/42/93/1071074293.db2.gz RBTQGCHRYIETLD-QHCPKHFHSA-N 1 1 470.618 1.929 20 0 JDADMO CCOCc1nnc(N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1CC1(O)CCS(=O)(=O)CC1 ZINC001503113956 1071074610 /nfs/dbraw/zinc/07/46/10/1071074610.db2.gz QCOLIRZKJULOLO-IBGZPJMESA-N 1 1 477.631 1.465 20 0 JDADMO CCOCc1nnc(N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001503115156 1071076456 /nfs/dbraw/zinc/07/64/56/1071076456.db2.gz IVBRJIAIYJRMOI-MZKRTTBSSA-N 1 1 450.628 1.615 20 0 JDADMO COc1cccc(-c2nnc(N3CC[NH+](Cc4ccsc4)CC3)n2CCNS(C)(=O)=O)c1 ZINC001504347960 1071078343 /nfs/dbraw/zinc/07/83/43/1071078343.db2.gz UBXFIPWXJMGKGV-UHFFFAOYSA-N 1 1 476.628 1.887 20 0 JDADMO CCOCc1nnc(N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001503115998 1071078561 /nfs/dbraw/zinc/07/85/61/1071078561.db2.gz XZHBTYRFIKUPHN-FQEVSTJZSA-N 1 1 495.669 1.571 20 0 JDADMO CCOCc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001503115937 1071078637 /nfs/dbraw/zinc/07/86/37/1071078637.db2.gz CJKRPMPKAIOSHQ-MOPGFXCFSA-N 1 1 464.636 1.805 20 0 JDADMO CCOCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001503116040 1071079195 /nfs/dbraw/zinc/07/91/95/1071079195.db2.gz YVEJDFBXEQUHJR-NJDAHSKKSA-N 1 1 450.628 1.471 20 0 JDADMO CCOCc1nnc(N2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001503115999 1071079437 /nfs/dbraw/zinc/07/94/37/1071079437.db2.gz XZHBTYRFIKUPHN-HXUWFJFHSA-N 1 1 495.669 1.571 20 0 JDADMO CCOCc1nnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001503116719 1071080513 /nfs/dbraw/zinc/08/05/13/1071080513.db2.gz JFQDZVFDLILDNN-OALUTQOASA-N 1 1 495.650 1.575 20 0 JDADMO CCOCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001503117955 1071083036 /nfs/dbraw/zinc/08/30/36/1071083036.db2.gz RPPQYARCIKMAHH-NRFANRHFSA-N 1 1 476.647 1.808 20 0 JDADMO COc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)c1 ZINC001504355284 1071087022 /nfs/dbraw/zinc/08/70/22/1071087022.db2.gz SBJLIRXEYZFTLS-WOJBJXKFSA-N 1 1 477.631 1.672 20 0 JDADMO COc1cccc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CC=CCC3)CC2)c1 ZINC001504364639 1071097246 /nfs/dbraw/zinc/09/72/46/1071097246.db2.gz OFUITESMPLCRTA-IBGZPJMESA-N 1 1 489.646 1.485 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCCO3)CC2)c1 ZINC001504367118 1071099799 /nfs/dbraw/zinc/09/97/99/1071099799.db2.gz BGCKTNRLBNJTDT-NRFANRHFSA-N 1 1 472.590 1.805 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCCO3)CC2)c1 ZINC001504367120 1071099879 /nfs/dbraw/zinc/09/98/79/1071099879.db2.gz BGCKTNRLBNJTDT-OAQYLSRUSA-N 1 1 472.590 1.805 20 0 JDADMO CCOC[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC001503150362 1071105443 /nfs/dbraw/zinc/10/54/43/1071105443.db2.gz AALIUYUFPLIUTG-JPYJTQIMSA-N 1 1 492.646 1.125 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504375370 1071109864 /nfs/dbraw/zinc/10/98/64/1071109864.db2.gz AJJXFNAJFQFRGR-QFIPXVFZSA-N 1 1 496.534 1.915 20 0 JDADMO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001504378687 1071112054 /nfs/dbraw/zinc/11/20/54/1071112054.db2.gz PNPAYRSJRNMKEC-QUCCMNQESA-N 1 1 492.646 1.438 20 0 JDADMO CCOCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503171075 1071118920 /nfs/dbraw/zinc/11/89/20/1071118920.db2.gz ZTMRJHYFPOILFJ-LJQANCHMSA-N 1 1 463.604 1.686 20 0 JDADMO CCOCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503171075 1071118926 /nfs/dbraw/zinc/11/89/26/1071118926.db2.gz ZTMRJHYFPOILFJ-LJQANCHMSA-N 1 1 463.604 1.686 20 0 JDADMO COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1CCS(=O)(=O)NC(C)C ZINC001504387315 1071119858 /nfs/dbraw/zinc/11/98/58/1071119858.db2.gz HPRQMUKPCQGMDO-GOSISDBHSA-N 1 1 462.620 1.956 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001504390127 1071124803 /nfs/dbraw/zinc/12/48/03/1071124803.db2.gz MARUPMKJENASEY-UHFFFAOYSA-N 1 1 457.623 1.894 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCC[C@H]1C ZINC001504390150 1071125943 /nfs/dbraw/zinc/12/59/43/1071125943.db2.gz MLNYYIAWGPGOOX-LJQANCHMSA-N 1 1 455.607 1.648 20 0 JDADMO CCOCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503185432 1071134012 /nfs/dbraw/zinc/13/40/12/1071134012.db2.gz PCDUGSLBRYKWED-XMMPIXPASA-N 1 1 471.606 1.166 20 0 JDADMO CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503182154 1071130613 /nfs/dbraw/zinc/13/06/13/1071130613.db2.gz YROVVWCYGBGZRY-RBUKOAKNSA-N 1 1 480.610 1.534 20 0 JDADMO CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503182154 1071130620 /nfs/dbraw/zinc/13/06/20/1071130620.db2.gz YROVVWCYGBGZRY-RBUKOAKNSA-N 1 1 480.610 1.534 20 0 JDADMO CCOCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503182148 1071130770 /nfs/dbraw/zinc/13/07/70/1071130770.db2.gz YROVVWCYGBGZRY-MOPGFXCFSA-N 1 1 480.610 1.534 20 0 JDADMO CCOCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503182148 1071130775 /nfs/dbraw/zinc/13/07/75/1071130775.db2.gz YROVVWCYGBGZRY-MOPGFXCFSA-N 1 1 480.610 1.534 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001504400020 1071135644 /nfs/dbraw/zinc/13/56/44/1071135644.db2.gz BNWRTCUAPXSBJC-FQEVSTJZSA-N 1 1 483.661 1.818 20 0 JDADMO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001503191830 1071137208 /nfs/dbraw/zinc/13/72/08/1071137208.db2.gz KKOFAXSOBSGKOB-ROUUACIJSA-N 1 1 472.656 1.204 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001504401859 1071137324 /nfs/dbraw/zinc/13/73/24/1071137324.db2.gz UJTOODUPBGVGGZ-UYAOXDASSA-N 1 1 456.591 1.391 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC([NH+]3CCN(C(C)C)CC3)CC2)n1CC(=O)N(C)C ZINC001504402625 1071137351 /nfs/dbraw/zinc/13/73/51/1071137351.db2.gz BUCWTWGVBXYNPQ-UHFFFAOYSA-N 1 1 483.661 1.961 20 0 JDADMO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001503192542 1071138149 /nfs/dbraw/zinc/13/81/49/1071138149.db2.gz OXSDCBAESOGISG-GOSISDBHSA-N 1 1 498.675 1.204 20 0 JDADMO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCc2sccc2C1 ZINC001503192542 1071138162 /nfs/dbraw/zinc/13/81/62/1071138162.db2.gz OXSDCBAESOGISG-GOSISDBHSA-N 1 1 498.675 1.204 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CCCNC(C)=O ZINC001504404066 1071138226 /nfs/dbraw/zinc/13/82/26/1071138226.db2.gz REDVIJRJLFOXSA-HXUWFJFHSA-N 1 1 456.591 1.562 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CCn1cc[nH+]c1C ZINC001504404613 1071139030 /nfs/dbraw/zinc/13/90/30/1071139030.db2.gz YDSKIHGQUJMZMJ-UHFFFAOYSA-N 1 1 487.630 1.848 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001504406080 1071142749 /nfs/dbraw/zinc/14/27/49/1071142749.db2.gz GLRSTYWWCQTSCF-SANMLTNESA-N 1 1 483.661 1.853 20 0 JDADMO CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001503199954 1071144270 /nfs/dbraw/zinc/14/42/70/1071144270.db2.gz AERQIGZLZCUMGT-HZPDHXFCSA-N 1 1 456.638 1.870 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504406930 1071144174 /nfs/dbraw/zinc/14/41/74/1071144174.db2.gz MHGAHDPKTCWSJL-DEOSSOPVSA-N 1 1 456.591 1.690 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001504407732 1071147181 /nfs/dbraw/zinc/14/71/81/1071147181.db2.gz SRKQVVYJQSUZTI-WOJBJXKFSA-N 1 1 456.591 1.546 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504408213 1071148136 /nfs/dbraw/zinc/14/81/36/1071148136.db2.gz WYFYNFYJGIMVFP-VGSWGCGISA-N 1 1 496.534 1.449 20 0 JDADMO CCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210583 1071154863 /nfs/dbraw/zinc/15/48/63/1071154863.db2.gz LFDSYKMQQZYTSH-OXJNMPFZSA-N 1 1 461.636 1.659 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001504410901 1071156883 /nfs/dbraw/zinc/15/68/83/1071156883.db2.gz SXIHCKOMNJHMDP-FQEVSTJZSA-N 1 1 483.617 1.099 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@H+]1CCC[C@H]1C ZINC001504411847 1071158957 /nfs/dbraw/zinc/15/89/57/1071158957.db2.gz VBQQJQRSAQFVEK-MOPGFXCFSA-N 1 1 476.647 1.832 20 0 JDADMO CCOCCn1c(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503215372 1071162984 /nfs/dbraw/zinc/16/29/84/1071162984.db2.gz UEWVTTOZWHGXFN-DEOSSOPVSA-N 1 1 478.638 1.490 20 0 JDADMO CCOCCn1c(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001503215372 1071163005 /nfs/dbraw/zinc/16/30/05/1071163005.db2.gz UEWVTTOZWHGXFN-DEOSSOPVSA-N 1 1 478.638 1.490 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(=O)NC(C)C)CC1 ZINC001503216064 1071164539 /nfs/dbraw/zinc/16/45/39/1071164539.db2.gz LYTSHHDPSGLLLM-UHFFFAOYSA-N 1 1 471.606 1.830 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1CC ZINC001503216771 1071165835 /nfs/dbraw/zinc/16/58/35/1071165835.db2.gz QOPGFBWFNHYLPC-ROUUACIJSA-N 1 1 470.565 1.875 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)CC1 ZINC001503216745 1071166093 /nfs/dbraw/zinc/16/60/93/1071166093.db2.gz QAPXWKKVNAMFIL-UHFFFAOYSA-N 1 1 461.542 1.286 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC001503216697 1071166325 /nfs/dbraw/zinc/16/63/25/1071166325.db2.gz PKKJJKOBUZKHQM-GOSISDBHSA-N 1 1 486.617 1.955 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCNS(C)(=O)=O)CC1 ZINC001503218037 1071168988 /nfs/dbraw/zinc/16/89/88/1071168988.db2.gz GOIHCDLECRGQGU-UHFFFAOYSA-N 1 1 474.990 1.445 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 ZINC001503217749 1071168206 /nfs/dbraw/zinc/16/82/06/1071168206.db2.gz TXTKCBTWCLQGGP-KRWDZBQOSA-N 1 1 468.599 1.543 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1CC ZINC001503215457 1071164257 /nfs/dbraw/zinc/16/42/57/1071164257.db2.gz GAODIQJKYSMOIK-IRXDYDNUSA-N 1 1 458.554 1.778 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(C)C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 ZINC001503218119 1071169307 /nfs/dbraw/zinc/16/93/07/1071169307.db2.gz YURWHJILXKOHDI-PMACEKPBSA-N 1 1 462.618 1.906 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 ZINC001503218629 1071170469 /nfs/dbraw/zinc/17/04/69/1071170469.db2.gz FGKIARWYQCWHGT-FQEVSTJZSA-N 1 1 458.607 1.833 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001503218839 1071170879 /nfs/dbraw/zinc/17/08/79/1071170879.db2.gz IGRKFKKSHGYCPN-UHFFFAOYSA-N 1 1 450.547 1.900 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001503219164 1071171670 /nfs/dbraw/zinc/17/16/70/1071171670.db2.gz CGJCFHMJLRZJOG-UHFFFAOYSA-N 1 1 458.567 1.372 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(N)=O)c2)C[C@H]1CC ZINC001503219411 1071171912 /nfs/dbraw/zinc/17/19/12/1071171912.db2.gz CPZHYCWIAONQOF-HXUWFJFHSA-N 1 1 464.574 1.819 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)C[C@H]1CC ZINC001503220503 1071174634 /nfs/dbraw/zinc/17/46/34/1071174634.db2.gz WGXFJJSVZZZKER-HXUWFJFHSA-N 1 1 477.635 1.313 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc4c(s3)CCCCC4)n2CCS(=O)(=O)NC)CC1 ZINC001503219579 1071172396 /nfs/dbraw/zinc/17/23/96/1071172396.db2.gz DCRVNQSVYWJRHR-UHFFFAOYSA-N 1 1 496.703 1.983 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCCS2(=O)=O)CC1 ZINC001503219350 1071172518 /nfs/dbraw/zinc/17/25/18/1071172518.db2.gz BWBQPSCPECHNJH-UHFFFAOYSA-N 1 1 483.038 1.793 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001503219954 1071173506 /nfs/dbraw/zinc/17/35/06/1071173506.db2.gz HQQQLASGBQPLPI-UHFFFAOYSA-N 1 1 498.675 1.384 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001504423471 1071177931 /nfs/dbraw/zinc/17/79/31/1071177931.db2.gz BJQMZMFVZPMYIL-UUOWRZLLSA-N 1 1 472.590 1.287 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)CC1 ZINC001504423491 1071178087 /nfs/dbraw/zinc/17/80/87/1071178087.db2.gz CHIVHKDSBRSEBV-UHFFFAOYSA-N 1 1 486.617 1.679 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1CC ZINC001503221954 1071178917 /nfs/dbraw/zinc/17/89/17/1071178917.db2.gz DYUYISOILNVQQW-PWRODBHTSA-N 1 1 498.694 1.881 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001503221984 1071179270 /nfs/dbraw/zinc/17/92/70/1071179270.db2.gz VJEFMIRBQRWNIE-UHFFFAOYSA-N 1 1 456.595 1.542 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001503221804 1071179362 /nfs/dbraw/zinc/17/93/62/1071179362.db2.gz BZYBYFWVDZBFRH-ZWKOTPCHSA-N 1 1 465.545 1.846 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001503221821 1071179466 /nfs/dbraw/zinc/17/94/66/1071179466.db2.gz WANZVRPZJYTKQD-UHFFFAOYSA-N 1 1 456.591 1.525 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc([C@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001504421392 1071175517 /nfs/dbraw/zinc/17/55/17/1071175517.db2.gz WZXXWELUWAFUAZ-AZUAARDMSA-N 1 1 456.591 1.969 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(F)ccc3Br)n2Cc2nnn(C)n2)CC1 ZINC001503221353 1071176606 /nfs/dbraw/zinc/17/66/06/1071176606.db2.gz TULZIWMYXOMGQS-UHFFFAOYSA-N 1 1 494.373 1.577 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001504423469 1071177816 /nfs/dbraw/zinc/17/78/16/1071177816.db2.gz BJQMZMFVZPMYIL-KOSHJBKYSA-N 1 1 472.590 1.287 20 0 JDADMO CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001503222075 1071180727 /nfs/dbraw/zinc/18/07/27/1071180727.db2.gz WOVVXPSFSJJTRC-NHCUHLMSSA-N 1 1 461.655 1.756 20 0 JDADMO CCOCCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222162 1071180884 /nfs/dbraw/zinc/18/08/84/1071180884.db2.gz XJRXPMMMMWHZFR-ZCNNSNEGSA-N 1 1 477.654 1.276 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCC(F)(F)F)CC1 ZINC001504424329 1071181044 /nfs/dbraw/zinc/18/10/44/1071181044.db2.gz OOQOWLWAVJEWSZ-UHFFFAOYSA-N 1 1 497.522 1.426 20 0 JDADMO CCOCCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001503222157 1071181014 /nfs/dbraw/zinc/18/10/14/1071181014.db2.gz XJRXPMMMMWHZFR-HSALFYBXSA-N 1 1 477.654 1.276 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503222560 1071182164 /nfs/dbraw/zinc/18/21/64/1071182164.db2.gz IBLXKMWKYQUFLI-GBXCKJPGSA-N 1 1 472.638 1.555 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NC(C)C)CC1 ZINC001503222643 1071184217 /nfs/dbraw/zinc/18/42/17/1071184217.db2.gz JCFPARTZFATMPM-UHFFFAOYSA-N 1 1 453.591 1.964 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)N(C)C)CC1 ZINC001503222898 1071184977 /nfs/dbraw/zinc/18/49/77/1071184977.db2.gz MINGKGFICKTJSG-UHFFFAOYSA-N 1 1 453.591 1.987 20 0 JDADMO CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224507 1071191594 /nfs/dbraw/zinc/19/15/94/1071191594.db2.gz UHMSNTKGERSHSS-FGZHOGPDSA-N 1 1 478.682 1.954 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1CC ZINC001503223569 1071188240 /nfs/dbraw/zinc/18/82/40/1071188240.db2.gz NMKQFUSHGVHVQK-BQJUDKOJSA-N 1 1 451.612 1.771 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1CC ZINC001503223671 1071189707 /nfs/dbraw/zinc/18/97/07/1071189707.db2.gz OYJOBTUUELXWEL-UXHICEINSA-N 1 1 478.638 1.391 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(CC(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@@H]1CC ZINC001503223670 1071189914 /nfs/dbraw/zinc/18/99/14/1071189914.db2.gz MFNOBSZXBGCPAJ-IBGZPJMESA-N 1 1 470.684 1.839 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C3CCC3)n2CCN2CCCS2(=O)=O)C[C@H]1CC ZINC001503223882 1071190679 /nfs/dbraw/zinc/19/06/79/1071190679.db2.gz PLJKMKXPUNPAJN-LJQANCHMSA-N 1 1 454.641 1.518 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Br)cn2)CC1 ZINC001503224291 1071191985 /nfs/dbraw/zinc/19/19/85/1071191985.db2.gz YIJBDKSJZPKWLW-UHFFFAOYSA-N 1 1 495.426 1.218 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001503224089 1071191162 /nfs/dbraw/zinc/19/11/62/1071191162.db2.gz WMCXPOVCOQJBDH-GOSISDBHSA-N 1 1 461.636 1.707 20 0 JDADMO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001503224508 1071192436 /nfs/dbraw/zinc/19/24/36/1071192436.db2.gz UHMSNTKGERSHSS-VXKWHMMOSA-N 1 1 478.682 1.954 20 0 JDADMO CCOCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@H](C)C2)C1 ZINC001503227793 1071197307 /nfs/dbraw/zinc/19/73/07/1071197307.db2.gz JBUPLZUFKNORCB-UFYCRDLUSA-N 1 1 469.652 1.544 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1CC ZINC001503224669 1071193308 /nfs/dbraw/zinc/19/33/08/1071193308.db2.gz VDMNKYZAGKSRHR-SLFFLAALSA-N 1 1 484.667 1.143 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@@H]1CC ZINC001503224666 1071193545 /nfs/dbraw/zinc/19/35/45/1071193545.db2.gz VDMNKYZAGKSRHR-HSALFYBXSA-N 1 1 484.667 1.143 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001503225643 1071194559 /nfs/dbraw/zinc/19/45/59/1071194559.db2.gz LLGFYOWGLDETAF-UHFFFAOYSA-N 1 1 476.553 1.014 20 0 JDADMO CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001503227792 1071197530 /nfs/dbraw/zinc/19/75/30/1071197530.db2.gz JBUPLZUFKNORCB-AQNXPRMDSA-N 1 1 469.652 1.544 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)CC1 ZINC001503226264 1071195681 /nfs/dbraw/zinc/19/56/81/1071195681.db2.gz VFARPVZOWIXQLF-DNVFCKCGSA-N 1 1 451.612 1.507 20 0 JDADMO CCOCCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC001503226156 1071195752 /nfs/dbraw/zinc/19/57/52/1071195752.db2.gz SRGJBXYMKIMDRE-RUZDIDTESA-N 1 1 472.634 1.699 20 0 JDADMO COc1ccccc1OCc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001504433194 1071196094 /nfs/dbraw/zinc/19/60/94/1071196094.db2.gz VBWOMNSZBCCVNH-LJQANCHMSA-N 1 1 485.633 1.559 20 0 JDADMO CCOCCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001503227791 1071197648 /nfs/dbraw/zinc/19/76/48/1071197648.db2.gz JBUPLZUFKNORCB-AABGKKOBSA-N 1 1 469.652 1.544 20 0 JDADMO 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1067657470 /nfs/dbraw/zinc/65/74/70/1067657470.db2.gz IWWDVSFEQRHIFJ-UHFFFAOYSA-N 1 1 457.560 1.872 20 0 JDADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC001464841418 1067671124 /nfs/dbraw/zinc/67/11/24/1067671124.db2.gz DFNZLRJHGPYBAZ-MAUKXSAKSA-N 1 1 453.996 1.911 20 0 JDADMO C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC001464841418 1067671127 /nfs/dbraw/zinc/67/11/27/1067671127.db2.gz DFNZLRJHGPYBAZ-MAUKXSAKSA-N 1 1 453.996 1.911 20 0 JDADMO CN(C(=O)c1cccc(NC(=O)NC2CC2)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464841754 1067671141 /nfs/dbraw/zinc/67/11/41/1067671141.db2.gz ABTCZIHCVQNKAW-UHFFFAOYSA-N 1 1 456.591 1.281 20 0 JDADMO CN(C(=O)[C@H](O)c1cccc(C(F)(F)F)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464843018 1067671600 /nfs/dbraw/zinc/67/16/00/1067671600.db2.gz FBUGDDJYLORSPT-HXUWFJFHSA-N 1 1 456.509 1.436 20 0 JDADMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc2)C1 ZINC001464842044 1067671655 /nfs/dbraw/zinc/67/16/55/1067671655.db2.gz BUXPHLYBFPRFJK-KRWDZBQOSA-N 1 1 450.605 1.390 20 0 JDADMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC001464842166 1067671809 /nfs/dbraw/zinc/67/18/09/1067671809.db2.gz CVLBYUHLMCTYIS-UHFFFAOYSA-N 1 1 457.600 1.929 20 0 JDADMO CN(C(=O)Cc1cccc(Br)c1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464842061 1067671867 /nfs/dbraw/zinc/67/18/67/1067671867.db2.gz BWDUBMZLEYVJPP-UHFFFAOYSA-N 1 1 451.409 1.688 20 0 JDADMO CN(C(=O)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464843683 1067672296 /nfs/dbraw/zinc/67/22/96/1067672296.db2.gz IADRHQNKAKBBQV-HXUWFJFHSA-N 1 1 452.640 1.687 20 0 JDADMO CN(C(=O)Cc1ccc(Br)s1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC001464844083 1067672681 /nfs/dbraw/zinc/67/26/81/1067672681.db2.gz JDLDWRVIRAOIAS-UHFFFAOYSA-N 1 1 457.438 1.750 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC3CC[NH+](CC(=O)N(C)C)CC3)cc(C(C)C)nc21 ZINC001464846701 1067674499 /nfs/dbraw/zinc/67/44/99/1067674499.db2.gz UCMHAKGJCBSNFZ-UHFFFAOYSA-N 1 1 458.563 1.313 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC001464888964 1067685906 /nfs/dbraw/zinc/68/59/06/1067685906.db2.gz LGSZEVQPROKONT-WTGUMLROSA-N 1 1 452.665 1.673 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC[C@H](C)CN3CC[NH+](CC)CC3)cc(C3CC3)nc21 ZINC001464890919 1067687120 /nfs/dbraw/zinc/68/71/20/1067687120.db2.gz ODLRVGPPBQTVLO-INIZCTEOSA-N 1 1 456.591 1.788 20 0 JDADMO C[NH+]1CCN([C@@H](CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c2cccs2)CC1 ZINC001464891171 1067687488 /nfs/dbraw/zinc/68/74/88/1067687488.db2.gz RLNYRLNVAFJOEL-FDDCHVKYSA-N 1 1 455.584 1.620 20 0 JDADMO CCOCCCNC(=O)C1CCN(C(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001464893492 1067688739 /nfs/dbraw/zinc/68/87/39/1067688739.db2.gz ZPHXOTQLVXXTFT-UHFFFAOYSA-N 1 1 454.612 1.711 20 0 JDADMO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC001464903069 1067692973 /nfs/dbraw/zinc/69/29/73/1067692973.db2.gz WFUPENUDUYNCAN-PMACEKPBSA-N 1 1 452.577 1.472 20 0 JDADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)c(F)c4)C3)CC2)CC1 ZINC001464906719 1067696611 /nfs/dbraw/zinc/69/66/11/1067696611.db2.gz GVNWJBIESDTUEZ-HNNXBMFYSA-N 1 1 451.930 1.344 20 0 JDADMO C[N@@H+](CCN1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC001464938537 1067706759 /nfs/dbraw/zinc/70/67/59/1067706759.db2.gz PDYUANIGBHHBMC-FGZHOGPDSA-N 1 1 454.596 1.967 20 0 JDADMO C[C@@H](CO)N(C)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1 ZINC001464946777 1067708995 /nfs/dbraw/zinc/70/89/95/1067708995.db2.gz QUUVFGLAHWEQBB-KRWDZBQOSA-N 1 1 453.609 1.458 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)CC2)CC1 ZINC001464952932 1067711218 /nfs/dbraw/zinc/71/12/18/1067711218.db2.gz FBVHWZUBPHGMEV-HSZRJFAPSA-N 1 1 452.596 1.151 20 0 JDADMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC001464958070 1067713423 /nfs/dbraw/zinc/71/34/23/1067713423.db2.gz JIHAHIRYEYQYDD-INIZCTEOSA-N 1 1 458.606 1.148 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)C[C@@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001464958515 1067713805 /nfs/dbraw/zinc/71/38/05/1067713805.db2.gz UERUEBSKIKJDJL-WZONZLPQSA-N 1 1 452.596 1.150 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001464958512 1067713829 /nfs/dbraw/zinc/71/38/29/1067713829.db2.gz UERUEBSKIKJDJL-FDDCHVKYSA-N 1 1 452.596 1.150 20 0 JDADMO CCS(=O)(=O)NCc1ccc(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001464960205 1067714621 /nfs/dbraw/zinc/71/46/21/1067714621.db2.gz VTGQXNIQHWDPOY-UHFFFAOYSA-N 1 1 450.605 1.142 20 0 JDADMO O=C(CNS(=O)(=O)c1ccc(F)cc1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC001464961830 1067714920 /nfs/dbraw/zinc/71/49/20/1067714920.db2.gz MAPLNMAWTLEMPB-UHFFFAOYSA-N 1 1 450.536 1.250 20 0 JDADMO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C[C@H](C)[N@H+]1CCO ZINC001464967600 1067716257 /nfs/dbraw/zinc/71/62/57/1067716257.db2.gz KLZCDZZEIMSBDX-CALCHBBNSA-N 1 1 451.593 1.856 20 0 JDADMO C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)C[C@H](C)[N@@H+]1CCO ZINC001464967600 1067716265 /nfs/dbraw/zinc/71/62/65/1067716265.db2.gz KLZCDZZEIMSBDX-CALCHBBNSA-N 1 1 451.593 1.856 20 0 JDADMO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001465000081 1067723910 /nfs/dbraw/zinc/72/39/10/1067723910.db2.gz BBTDCPISVKUKSF-VQIMIIECSA-N 1 1 455.625 1.872 20 0 JDADMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cc(N4CCNC4=O)ccc3F)c2)C1 ZINC001465001014 1067724794 /nfs/dbraw/zinc/72/47/94/1067724794.db2.gz QESCXANYTANHTD-SFHVURJKSA-N 1 1 453.518 1.983 20 0 JDADMO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)NCC(=O)N2CC[NH+](C)CC2)cc1 ZINC001465006512 1067726975 /nfs/dbraw/zinc/72/69/75/1067726975.db2.gz AKHIBTFNXLYMGI-UHFFFAOYSA-N 1 1 451.593 1.535 20 0 JDADMO C[NH+](C)[C@]1(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)COc2ccccc2C1 ZINC001465016644 1067728833 /nfs/dbraw/zinc/72/88/33/1067728833.db2.gz CCKUVAUHKWVRJM-VWLOTQADSA-N 1 1 454.546 1.635 20 0 JDADMO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001465024092 1067729822 /nfs/dbraw/zinc/72/98/22/1067729822.db2.gz XGTTXJWGUXSDSP-RBUKOAKNSA-N 1 1 451.637 1.607 20 0 JDADMO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001465024092 1067729831 /nfs/dbraw/zinc/72/98/31/1067729831.db2.gz XGTTXJWGUXSDSP-RBUKOAKNSA-N 1 1 451.637 1.607 20 0 JDADMO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001465024089 1067730030 /nfs/dbraw/zinc/73/00/30/1067730030.db2.gz XGTTXJWGUXSDSP-OALUTQOASA-N 1 1 451.637 1.607 20 0 JDADMO CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001465024089 1067730037 /nfs/dbraw/zinc/73/00/37/1067730037.db2.gz XGTTXJWGUXSDSP-OALUTQOASA-N 1 1 451.637 1.607 20 0 JDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)[C@H](C)CC(=O)OC)c1 ZINC001465063678 1067737117 /nfs/dbraw/zinc/73/71/17/1067737117.db2.gz OEFRSLAVTFXTTP-MRXNPFEDSA-N 1 1 454.593 1.607 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)CC2)CC1 ZINC001465085668 1067741364 /nfs/dbraw/zinc/74/13/64/1067741364.db2.gz DTGDMKITROHSMF-XMMPIXPASA-N 1 1 455.559 1.148 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(C(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)CC2)CC1 ZINC001465085863 1067741483 /nfs/dbraw/zinc/74/14/83/1067741483.db2.gz MFZIADGQSJUHRY-UHFFFAOYSA-N 1 1 450.605 1.357 20 0 JDADMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 ZINC001465134828 1067748534 /nfs/dbraw/zinc/74/85/34/1067748534.db2.gz FSRDTXCOQNBRJQ-GOSISDBHSA-N 1 1 451.589 1.250 20 0 JDADMO CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC001465134877 1067748654 /nfs/dbraw/zinc/74/86/54/1067748654.db2.gz HOGQZXZMGMOKLF-CQSZACIVSA-N 1 1 459.410 1.209 20 0 JDADMO C[C@H]1[C@@H](NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC[N@H+]1C ZINC001465138823 1067750700 /nfs/dbraw/zinc/75/07/00/1067750700.db2.gz MTLCIUJLHNTCRY-WMZOPIPTSA-N 1 1 451.593 1.522 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)CC2)cc1OC ZINC001465149978 1067753644 /nfs/dbraw/zinc/75/36/44/1067753644.db2.gz VXIXCDMBUHFRKW-LJQANCHMSA-N 1 1 451.589 1.848 20 0 JDADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001465193365 1067758307 /nfs/dbraw/zinc/75/83/07/1067758307.db2.gz MWCYPWFVMAOZNL-SQNIBIBYSA-N 1 1 450.605 1.565 20 0 JDADMO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001465193362 1067758369 /nfs/dbraw/zinc/75/83/69/1067758369.db2.gz MWCYPWFVMAOZNL-BZSNNMDCSA-N 1 1 450.605 1.565 20 0 JDADMO O=C(CCCNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)N1CCN(c2ccccc2)CC1 ZINC001465202832 1067759972 /nfs/dbraw/zinc/75/99/72/1067759972.db2.gz CNVXXUKMBCQKKW-SANMLTNESA-N 1 1 450.583 1.869 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001465207981 1067761350 /nfs/dbraw/zinc/76/13/50/1067761350.db2.gz URGNMAFHYRBEKJ-VQIMIIECSA-N 1 1 453.609 1.626 20 0 JDADMO 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C[N@H+]1CCCC[C@H](CNC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001471494324 1068871486 /nfs/dbraw/zinc/87/14/86/1068871486.db2.gz OIHUZPITBCDTOF-MOPGFXCFSA-N 1 1 451.612 1.972 20 0 JDADMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)C1 ZINC001471494326 1068871543 /nfs/dbraw/zinc/87/15/43/1068871543.db2.gz OIHUZPITBCDTOF-OALUTQOASA-N 1 1 451.612 1.972 20 0 JDADMO C[N@H+]1CCCC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 ZINC001471496677 1068871911 /nfs/dbraw/zinc/87/19/11/1068871911.db2.gz VQAARJARUWASDB-OKYOBFRVSA-N 1 1 465.595 1.942 20 0 JDADMO C[N@H+]1CCCC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 ZINC001471496674 1068871956 /nfs/dbraw/zinc/87/19/56/1068871956.db2.gz VQAARJARUWASDB-HCXYKTFWSA-N 1 1 465.595 1.942 20 0 JDADMO CC(C)NS(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)ccc1F ZINC001471538896 1068876737 /nfs/dbraw/zinc/87/67/37/1068876737.db2.gz SQINHJQMFVAECX-GOSISDBHSA-N 1 1 456.584 1.039 20 0 JDADMO O=C(/C=C/c1ccc(I)o1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471538659 1068876839 /nfs/dbraw/zinc/87/68/39/1068876839.db2.gz PWEWLPAYPSRDAX-CSPWOOARSA-N 1 1 459.328 1.810 20 0 JDADMO CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471539010 1068877295 /nfs/dbraw/zinc/87/72/95/1068877295.db2.gz TTYQOCYUXKWBCF-NZQKXSOJSA-N 1 1 459.566 1.267 20 0 JDADMO CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC001471539012 1068877341 /nfs/dbraw/zinc/87/73/41/1068877341.db2.gz TTYQOCYUXKWBCF-REWPJTCUSA-N 1 1 459.566 1.267 20 0 JDADMO CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC001471539388 1068877840 /nfs/dbraw/zinc/87/78/40/1068877840.db2.gz YNPDMCFFRKRBSX-ICSRJNTNSA-N 1 1 452.621 1.290 20 0 JDADMO CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)CC2)cc1 ZINC001471595808 1068882906 /nfs/dbraw/zinc/88/29/06/1068882906.db2.gz SCDLXFNSUCDJSP-UHFFFAOYSA-N 1 1 457.560 1.093 20 0 JDADMO COC(=O)[C@@]1(CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C[C@@H]1S(C)(=O)=O ZINC001471674058 1068891086 /nfs/dbraw/zinc/89/10/86/1068891086.db2.gz YSHIIVLXBUXNSW-GTCCEBARSA-N 1 1 452.573 1.646 20 0 JDADMO COC(=O)c1ccc(OC)c2c1CCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]3CCCO3)CC1)C2 ZINC001471680726 1068892012 /nfs/dbraw/zinc/89/20/12/1068892012.db2.gz FLULXJFSRSSJET-OAQYLSRUSA-N 1 1 459.543 1.080 20 0 JDADMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2nc(S(N)(=O)=O)c3ccccn32)CCOCC1 ZINC001471749185 1068898598 /nfs/dbraw/zinc/89/85/98/1068898598.db2.gz HUNHVURXOJTDIT-UHFFFAOYSA-N 1 1 457.556 1.393 20 0 JDADMO C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001471796408 1068905564 /nfs/dbraw/zinc/90/55/64/1068905564.db2.gz CIQNXEHWUIINIH-WIYYLYMNSA-N 1 1 458.603 1.991 20 0 JDADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CC1 ZINC001471796785 1068905605 /nfs/dbraw/zinc/90/56/05/1068905605.db2.gz IMOGXHYTOHZQIG-LEWJYISDSA-N 1 1 455.580 1.449 20 0 JDADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCCn2c3ccccc3oc2=O)CC1 ZINC001471797185 1068906606 /nfs/dbraw/zinc/90/66/06/1068906606.db2.gz MYIVMMXQUZPWAR-FQEVSTJZSA-N 1 1 450.539 1.876 20 0 JDADMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001471797473 1068906879 /nfs/dbraw/zinc/90/68/79/1068906879.db2.gz SFAOHCJDKBDXRZ-NRFANRHFSA-N 1 1 458.584 1.004 20 0 JDADMO Cc1cc(S(N)(=O)=O)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)c1C ZINC001471797646 1068907279 /nfs/dbraw/zinc/90/72/79/1068907279.db2.gz WSGTXUGBBNYJEF-NRFANRHFSA-N 1 1 458.584 1.066 20 0 JDADMO C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2csc(N3CCOCC3)n2)CC1 ZINC001471797579 1068907591 /nfs/dbraw/zinc/90/75/91/1068907591.db2.gz VIZIWHQSQIKVQH-HXUWFJFHSA-N 1 1 457.600 1.024 20 0 JDADMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)C1 ZINC001472048261 1068945724 /nfs/dbraw/zinc/94/57/24/1068945724.db2.gz KJONGJJCVPAHIU-SFHVURJKSA-N 1 1 453.580 1.890 20 0 JDADMO CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C(C)(C)C1 ZINC001472142333 1068958382 /nfs/dbraw/zinc/95/83/82/1068958382.db2.gz FQTNWBQQUQKUCA-QZTJIDSGSA-N 1 1 452.596 1.461 20 0 JDADMO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1 ZINC001546191105 1068965437 /nfs/dbraw/zinc/96/54/37/1068965437.db2.gz MKWUDIPPCFOGQP-IBGZPJMESA-N 1 1 490.674 1.994 20 0 JDADMO CCc1ccc(-c2nnc(N3CCC(CNS(C)(=O)=O)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1 ZINC001546191105 1068965451 /nfs/dbraw/zinc/96/54/51/1068965451.db2.gz MKWUDIPPCFOGQP-IBGZPJMESA-N 1 1 490.674 1.994 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001499313851 1068972563 /nfs/dbraw/zinc/97/25/63/1068972563.db2.gz IOMGUXSQGIXCCR-UTKZUKDTSA-N 1 1 475.588 1.888 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCC[N@@H+](C)CCOC ZINC001499317508 1068977923 /nfs/dbraw/zinc/97/79/23/1068977923.db2.gz SPHVOWREXBLBDR-SFHVURJKSA-N 1 1 468.562 1.277 20 0 JDADMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)c2)C[C@H](C)O1 ZINC001472259612 1068979342 /nfs/dbraw/zinc/97/93/42/1068979342.db2.gz RDDSRDPTACHYOX-OVQGTLEDSA-N 1 1 451.589 1.156 20 0 JDADMO CC[C@@H]1C(=O)NCCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001499321847 1068980612 /nfs/dbraw/zinc/98/06/12/1068980612.db2.gz FVSXSNZMNAACRP-PZJWPPBQSA-N 1 1 469.634 1.618 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001499323095 1068981846 /nfs/dbraw/zinc/98/18/46/1068981846.db2.gz NMHHETIDLTXJJG-NRFANRHFSA-N 1 1 453.635 1.918 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001499323095 1068981855 /nfs/dbraw/zinc/98/18/55/1068981855.db2.gz NMHHETIDLTXJJG-NRFANRHFSA-N 1 1 453.635 1.918 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2ccccc2C)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001499323095 1068981863 /nfs/dbraw/zinc/98/18/63/1068981863.db2.gz NMHHETIDLTXJJG-NRFANRHFSA-N 1 1 453.635 1.918 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC001499323101 1068981882 /nfs/dbraw/zinc/98/18/82/1068981882.db2.gz NNCISASCXFAPNC-MOPGFXCFSA-N 1 1 461.636 1.705 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C[N@@H+](C)CC)c1 ZINC001499323259 1068982555 /nfs/dbraw/zinc/98/25/55/1068982555.db2.gz YEEHRDGQNWHJLD-FQEVSTJZSA-N 1 1 453.591 1.615 20 0 JDADMO CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001499328643 1068984050 /nfs/dbraw/zinc/98/40/50/1068984050.db2.gz IACYSXXGOCOAHK-CTNGQTDRSA-N 1 1 456.591 1.727 20 0 JDADMO CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)cc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001499329127 1068984533 /nfs/dbraw/zinc/98/45/33/1068984533.db2.gz NMMZRZDYWDKCSX-FGZHOGPDSA-N 1 1 497.644 1.823 20 0 JDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)CC1=O ZINC001472291265 1068984702 /nfs/dbraw/zinc/98/47/02/1068984702.db2.gz DBSPUDGBNACSRQ-WFXMFSGNSA-N 1 1 465.538 1.287 20 0 JDADMO CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[N@H+]1CC ZINC001499365937 1068993284 /nfs/dbraw/zinc/99/32/84/1068993284.db2.gz FQQIRLFDXLNBHR-HCXYKTFWSA-N 1 1 454.641 1.720 20 0 JDADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001499411902 1068997268 /nfs/dbraw/zinc/99/72/68/1068997268.db2.gz DWCAOVYMBJDAMV-IPMKNSEASA-N 1 1 452.625 1.498 20 0 JDADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(N3CCOCC3)ccn2)CC1 ZINC001472364298 1068998372 /nfs/dbraw/zinc/99/83/72/1068998372.db2.gz PHHDWZPBJZBNFH-QHCPKHFHSA-N 1 1 451.571 1.423 20 0 JDADMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC001472364493 1068998408 /nfs/dbraw/zinc/99/84/08/1068998408.db2.gz VJTBTHRZQMZFTK-IFMALSPDSA-N 1 1 450.539 1.668 20 0 JDADMO CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[N@@H+](CC)C1 ZINC001499413519 1068998329 /nfs/dbraw/zinc/99/83/29/1068998329.db2.gz MNNSPTACLONHRX-INDMIFKZSA-N 1 1 454.641 1.578 20 0 JDADMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001472364047 1068998427 /nfs/dbraw/zinc/99/84/27/1068998427.db2.gz IVNIZRRCVQBROG-QHCPKHFHSA-N 1 1 450.583 1.925 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 ZINC001499462592 1069003361 /nfs/dbraw/zinc/00/33/61/1069003361.db2.gz GIONVXGNGPNBLW-GOSISDBHSA-N 1 1 460.627 1.675 20 0 JDADMO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O ZINC001499463669 1069004094 /nfs/dbraw/zinc/00/40/94/1069004094.db2.gz MCHDJIDDWHJVJR-SFHVURJKSA-N 1 1 454.641 1.650 20 0 JDADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O ZINC001499463669 1069004107 /nfs/dbraw/zinc/00/41/07/1069004107.db2.gz MCHDJIDDWHJVJR-SFHVURJKSA-N 1 1 454.641 1.650 20 0 JDADMO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O ZINC001499463668 1069004385 /nfs/dbraw/zinc/00/43/85/1069004385.db2.gz MCHDJIDDWHJVJR-GOSISDBHSA-N 1 1 454.641 1.650 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O ZINC001499463668 1069004404 /nfs/dbraw/zinc/00/44/04/1069004404.db2.gz MCHDJIDDWHJVJR-GOSISDBHSA-N 1 1 454.641 1.650 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001499462821 1069004704 /nfs/dbraw/zinc/00/47/04/1069004704.db2.gz JZRAHVGOIUZNSL-ZWKOTPCHSA-N 1 1 454.579 1.857 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](Cn2cccn2)C1 ZINC001499464958 1069004981 /nfs/dbraw/zinc/00/49/81/1069004981.db2.gz SHWDRUZJLWNKHG-ZCNNSNEGSA-N 1 1 494.666 1.255 20 0 JDADMO CC[C@H]1CCCC[N@H+]1CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 ZINC001499464496 1069005015 /nfs/dbraw/zinc/00/50/15/1069005015.db2.gz OWUYPSZZHIBEEF-IBGZPJMESA-N 1 1 461.611 1.074 20 0 JDADMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001499465017 1069005159 /nfs/dbraw/zinc/00/51/59/1069005159.db2.gz UNLOENWJBFLJIW-GOSISDBHSA-N 1 1 490.634 1.272 20 0 JDADMO 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CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 ZINC001509518561 1073662483 /nfs/dbraw/zinc/66/24/83/1073662483.db2.gz NHEQBRHNVQCPJD-IBGZPJMESA-N 1 1 464.640 1.419 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 ZINC001509518722 1073663163 /nfs/dbraw/zinc/66/31/63/1073663163.db2.gz QBEVFXVUYDWQMJ-DENIHFKCSA-N 1 1 468.668 1.212 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC001509519080 1073663292 /nfs/dbraw/zinc/66/32/92/1073663292.db2.gz QADLFZWIKFFPHW-OAQYLSRUSA-N 1 1 489.665 1.800 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 ZINC001509519819 1073663958 /nfs/dbraw/zinc/66/39/58/1073663958.db2.gz VGNDSPAFNCBDTI-GOSISDBHSA-N 1 1 454.641 1.722 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001509519472 1073664193 /nfs/dbraw/zinc/66/41/93/1073664193.db2.gz UEQUUHIKVPEEMF-ZSYWTGECSA-N 1 1 454.641 1.576 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001509519843 1073664251 /nfs/dbraw/zinc/66/42/51/1073664251.db2.gz YWGTUGWFLZAGBD-IBGZPJMESA-N 1 1 489.646 1.347 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001509523976 1073666417 /nfs/dbraw/zinc/66/64/17/1073666417.db2.gz FMNRICNYTLBAIF-UHFFFAOYSA-N 1 1 483.661 1.384 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001509526610 1073667152 /nfs/dbraw/zinc/66/71/52/1073667152.db2.gz IOWPZPLEUBDWDY-HXUWFJFHSA-N 1 1 494.666 1.069 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 ZINC001509526556 1073667164 /nfs/dbraw/zinc/66/71/64/1073667164.db2.gz HVNKSIZKZLAITI-FQEVSTJZSA-N 1 1 480.679 1.749 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001509526636 1073667245 /nfs/dbraw/zinc/66/72/45/1073667245.db2.gz IXSIOXVLBPSWOO-UHFFFAOYSA-N 1 1 468.650 1.739 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001509527115 1073668625 /nfs/dbraw/zinc/66/86/25/1073668625.db2.gz NDZFGYWSUBIDIM-HXUWFJFHSA-N 1 1 477.635 1.311 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001509528443 1073669283 /nfs/dbraw/zinc/66/92/83/1073669283.db2.gz YWCVUUDLPGBNND-UHFFFAOYSA-N 1 1 457.627 1.153 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001509528036 1073669386 /nfs/dbraw/zinc/66/93/86/1073669386.db2.gz PSAFCJQUMAMLRU-CEXWTWQISA-N 1 1 456.657 1.066 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001509528673 1073669654 /nfs/dbraw/zinc/66/96/54/1073669654.db2.gz WEFYKGOVIJUBJJ-FQEVSTJZSA-N 1 1 458.563 1.602 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 ZINC001509528722 1073670268 /nfs/dbraw/zinc/67/02/68/1073670268.db2.gz XRKZKKYGJHYPIF-VGSWGCGISA-N 1 1 465.595 1.757 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001509530347 1073670478 /nfs/dbraw/zinc/67/04/78/1073670478.db2.gz SMVGAGLQGAYWCG-AVRDEDQJSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509530347 1073670488 /nfs/dbraw/zinc/67/04/88/1073670488.db2.gz SMVGAGLQGAYWCG-AVRDEDQJSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 ZINC001509532016 1073671407 /nfs/dbraw/zinc/67/14/07/1073671407.db2.gz WVWQMZDGAWCJSY-UYAOXDASSA-N 1 1 450.628 1.832 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CCNC(=O)C2)C1 ZINC001509556812 1073680346 /nfs/dbraw/zinc/68/03/46/1073680346.db2.gz PGKNHYIKRVBQRW-GOSISDBHSA-N 1 1 489.646 1.252 20 0 JDADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001509557184 1073681049 /nfs/dbraw/zinc/68/10/49/1073681049.db2.gz PSZYXOZOXGSADY-UXHICEINSA-N 1 1 495.694 1.400 20 0 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497.710 1.751 20 0 JDADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001501088562 1069384986 /nfs/dbraw/zinc/38/49/86/1069384986.db2.gz DHXDVSFLOFEGDT-YSTOQKLRSA-N 1 1 497.710 1.751 20 0 JDADMO CCCNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001501089571 1069386026 /nfs/dbraw/zinc/38/60/26/1069386026.db2.gz MVMZABIXEAJTPZ-CEXWTWQISA-N 1 1 483.683 1.363 20 0 JDADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC001501093771 1069388790 /nfs/dbraw/zinc/38/87/90/1069388790.db2.gz MWRQSQVDIBBIST-QVKFZJNVSA-N 1 1 494.438 1.845 20 0 JDADMO O=C(OCc1ccccc1)N1CC[C@H](CS(=O)(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC001475188662 1069390464 /nfs/dbraw/zinc/39/04/64/1069390464.db2.gz LNBUSJBTSZZDEQ-PWRODBHTSA-N 1 1 451.589 1.506 20 0 JDADMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001501101076 1069392086 /nfs/dbraw/zinc/39/20/86/1069392086.db2.gz 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CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)C[C@H]1C ZINC001502332087 1070169445 /nfs/dbraw/zinc/16/94/45/1070169445.db2.gz CUCYFWNRERHDKY-HKBOAZHASA-N 1 1 450.628 1.645 20 0 JDADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC001479591588 1070169991 /nfs/dbraw/zinc/16/99/91/1070169991.db2.gz WIBKYMNTLLWVLB-BHYGNILZSA-N 1 1 456.996 1.705 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)OCCOC)n3Cc3ccc(C)nc3)C2)CC1 ZINC001502333283 1070176228 /nfs/dbraw/zinc/17/62/28/1070176228.db2.gz FNZBXMYEGYPWDT-UNMCSNQZSA-N 1 1 457.623 1.970 20 0 JDADMO CN1CCN(c2ccc(CCNC(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604249 1070172971 /nfs/dbraw/zinc/17/29/71/1070172971.db2.gz NARDBISFFCCBHP-AREMUKBSSA-N 1 1 451.615 1.917 20 0 JDADMO CN1CCN(c2ccc(CCNC(=O)NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604249 1070172991 /nfs/dbraw/zinc/17/29/91/1070172991.db2.gz NARDBISFFCCBHP-AREMUKBSSA-N 1 1 451.615 1.917 20 0 JDADMO 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CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CC(C)(C)OC)C2)CC1 ZINC001502334702 1070188876 /nfs/dbraw/zinc/18/88/76/1070188876.db2.gz OORQQEJMFCAHBC-HXUWFJFHSA-N 1 1 490.674 1.990 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccccn4)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502334766 1070189947 /nfs/dbraw/zinc/18/99/47/1070189947.db2.gz QDNDQJIAUHKBDM-HXUWFJFHSA-N 1 1 475.663 1.771 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@H](COC)OC)C2)CC1 ZINC001502334764 1070190822 /nfs/dbraw/zinc/19/08/22/1070190822.db2.gz QCIJLHDHACIFMG-RTBURBONSA-N 1 1 464.014 1.871 20 0 JDADMO Cc1noc(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493038340 1070191295 /nfs/dbraw/zinc/19/12/95/1070191295.db2.gz MZDJUDSFPDFFEB-JOCHJYFZSA-N 1 1 474.587 1.656 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CCS(=O)(=O)CC3)C2)CC1 ZINC001502335387 1070194416 /nfs/dbraw/zinc/19/44/16/1070194416.db2.gz HRDJPRDXVRLWMW-IBGZPJMESA-N 1 1 482.695 1.023 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@](C)(O)C(C)C)C2)CC1 ZINC001502335499 1070195736 /nfs/dbraw/zinc/19/57/36/1070195736.db2.gz KLIZTSZPVIPCQI-URXFXBBRSA-N 1 1 458.655 1.763 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3C[C@H](COC)OC)C2)CC1 ZINC001502335726 1070197532 /nfs/dbraw/zinc/19/75/32/1070197532.db2.gz OZIVLWOJJQXZEA-NHCUHLMSSA-N 1 1 460.598 1.886 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502337436 1070203998 /nfs/dbraw/zinc/20/39/98/1070203998.db2.gz HXYYINYZJWIYGD-VQTJNVASSA-N 1 1 499.660 1.903 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502335899 1070198940 /nfs/dbraw/zinc/19/89/40/1070198940.db2.gz RWELTCXNJOENGY-NRFANRHFSA-N 1 1 493.653 1.116 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccc(F)cc4)n3CCS(=O)(=O)N(C)C)C2)CC1 ZINC001502335902 1070199898 /nfs/dbraw/zinc/19/98/98/1070199898.db2.gz RWELTCXNJOENGY-OAQYLSRUSA-N 1 1 493.653 1.116 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4C)n3CCC(=O)N(C)C)C2)CC1 ZINC001502336378 1070200355 /nfs/dbraw/zinc/20/03/55/1070200355.db2.gz ZMDXXHRMDAJEDH-QFIPXVFZSA-N 1 1 453.635 1.872 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)(C)C)n3CC3(C(N)=O)CCOCC3)C2)CC1 ZINC001502336299 1070201206 /nfs/dbraw/zinc/20/12/06/1070201206.db2.gz XQFYAAUWSKVLIN-IBGZPJMESA-N 1 1 461.655 1.365 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4cccc(C)c4)n3CC(=O)N(C)C)C2)CC1 ZINC001502337399 1070203791 /nfs/dbraw/zinc/20/37/91/1070203791.db2.gz HOFOIRUZLWOLIB-HXUWFJFHSA-N 1 1 455.607 1.470 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)CC2CCOCC2)CC1 ZINC001502337162 1070202532 /nfs/dbraw/zinc/20/25/32/1070202532.db2.gz BVTCPDZIQDRFMT-FQEVSTJZSA-N 1 1 461.655 1.651 20 0 JDADMO Cc1noc([C@@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493080563 1070202582 /nfs/dbraw/zinc/20/25/82/1070202582.db2.gz ZPRZOPZKTDWJHM-IAGOWNOFSA-N 1 1 451.597 1.596 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3CCNC(=O)C(C)C)C2)CC1 ZINC001502337164 1070203084 /nfs/dbraw/zinc/20/30/84/1070203084.db2.gz BXMWJCJIJFEPMW-NRFANRHFSA-N 1 1 471.654 1.128 20 0 JDADMO CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]([NH+]2CCN(CC)CC2)C1 ZINC001502337281 1070204517 /nfs/dbraw/zinc/20/45/17/1070204517.db2.gz FSONZKWQOMAKKR-FQEVSTJZSA-N 1 1 485.633 1.560 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3C[C@@H](C)COC)C2)CC1 ZINC001502337586 1070205692 /nfs/dbraw/zinc/20/56/92/1070205692.db2.gz KUFSICXUKYWCOZ-MOPGFXCFSA-N 1 1 475.663 1.768 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502337442 1070206462 /nfs/dbraw/zinc/20/64/62/1070206462.db2.gz IAGXNHFEZYOEOV-LJQANCHMSA-N 1 1 457.627 1.262 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@H](C)C2)CC1 ZINC001502337633 1070207681 /nfs/dbraw/zinc/20/76/81/1070207681.db2.gz LNMJZJLYYQASJR-RCCFBDPRSA-N 1 1 473.713 1.104 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3CCC[C@@H]32)CC1 ZINC001502337660 1070208184 /nfs/dbraw/zinc/20/81/84/1070208184.db2.gz MBOOAZOHZZSUDW-MUGJNUQGSA-N 1 1 467.684 1.541 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(COc4ccccc4OC)n3CC(C)(C)O)C2)CC1 ZINC001502337675 1070209171 /nfs/dbraw/zinc/20/91/71/1070209171.db2.gz MIGMOAAHPZLMDJ-LJQANCHMSA-N 1 1 458.607 1.853 20 0 JDADMO Cc1noc(CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001493117247 1070210293 /nfs/dbraw/zinc/21/02/93/1070210293.db2.gz AMMAOQKSYNBSQT-SFHVURJKSA-N 1 1 458.611 1.934 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC001502337726 1070210146 /nfs/dbraw/zinc/21/01/46/1070210146.db2.gz MWBRPPLMOWPYQJ-LEWJYISDSA-N 1 1 488.681 1.281 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338103 1070210774 /nfs/dbraw/zinc/21/07/74/1070210774.db2.gz RIYPRCXOUJZROQ-SFTDATJTSA-N 1 1 481.711 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001502338138 1070211319 /nfs/dbraw/zinc/21/13/19/1070211319.db2.gz RTJDCQNONNFJII-PMACEKPBSA-N 1 1 461.655 1.791 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338064 1070211543 /nfs/dbraw/zinc/21/15/43/1070211543.db2.gz RIYPRCXOUJZROQ-LEWJYISDSA-N 1 1 481.711 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC001502338360 1070213499 /nfs/dbraw/zinc/21/34/99/1070213499.db2.gz VNMAFIFIPNSCMY-WPFOTENUSA-N 1 1 488.725 1.677 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001502338602 1070215446 /nfs/dbraw/zinc/21/54/46/1070215446.db2.gz XSRIDZIHOLDLNT-MANSERQUSA-N 1 1 487.740 1.492 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)CC1 ZINC001502338622 1070216171 /nfs/dbraw/zinc/21/61/71/1070216171.db2.gz XUBPWMYZUQKOBZ-HXUWFJFHSA-N 1 1 498.680 1.561 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502340244 1070219357 /nfs/dbraw/zinc/21/93/57/1070219357.db2.gz FKRAKUUILXHFCR-VQTJNVASSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccn3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502340912 1070223337 /nfs/dbraw/zinc/22/33/37/1070223337.db2.gz KSGJJROSUOHOSS-UNMCSNQZSA-N 1 1 470.666 1.862 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC(CCCO)CC2)CC1 ZINC001502340128 1070218859 /nfs/dbraw/zinc/21/88/59/1070218859.db2.gz DHOMFCJHPKRBDG-FQEVSTJZSA-N 1 1 458.655 1.941 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCN(CCOC)[C@@H](C)C2)CC1 ZINC001502341382 1070227794 /nfs/dbraw/zinc/22/77/94/1070227794.db2.gz VAYFSDZBQOXJRW-YADHBBJMSA-N 1 1 472.682 1.714 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502341353 1070225137 /nfs/dbraw/zinc/22/51/37/1070225137.db2.gz UKXOJGMBOZXWAN-CTNGQTDRSA-N 1 1 469.634 1.929 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502341211 1070225297 /nfs/dbraw/zinc/22/52/97/1070225297.db2.gz QJUYENHVPPDVQP-RXVVDRJESA-N 1 1 490.052 1.823 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502341618 1070229770 /nfs/dbraw/zinc/22/97/70/1070229770.db2.gz ZCZZUBLIFFQBSS-UXHICEINSA-N 1 1 469.634 1.894 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502342658 1070229923 /nfs/dbraw/zinc/22/99/23/1070229923.db2.gz BOKOEALUHWBTMM-FGZHOGPDSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)OC)CC1 ZINC001502342580 1070230000 /nfs/dbraw/zinc/23/00/00/1070230000.db2.gz ABFZRGJXYRTBQK-QGZVFWFLSA-N 1 1 454.579 1.463 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(C)CCOC)CC1 ZINC001502342589 1070230564 /nfs/dbraw/zinc/23/05/64/1070230564.db2.gz AFGXSUCHCFGWMC-GOSISDBHSA-N 1 1 468.606 1.950 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(C(=O)C(C)C)CC2)CC1 ZINC001502343105 1070233946 /nfs/dbraw/zinc/23/39/46/1070233946.db2.gz JRQIAJOIBWLJAO-RTWAWAEBSA-N 1 1 488.681 1.198 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502343060 1070235188 /nfs/dbraw/zinc/23/51/88/1070235188.db2.gz JCBAAHCMZIKRGG-LJQANCHMSA-N 1 1 462.639 1.850 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493172271 1070235613 /nfs/dbraw/zinc/23/56/13/1070235613.db2.gz YPGMDKWEDRJCKO-AEFFLSMTSA-N 1 1 489.024 1.603 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343422 1070238055 /nfs/dbraw/zinc/23/80/55/1070238055.db2.gz OQXCWQIKRMYOGL-IRLDBZIGSA-N 1 1 461.655 1.852 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343427 1070239569 /nfs/dbraw/zinc/23/95/69/1070239569.db2.gz OSTYJJSFMYJYQJ-DENIHFKCSA-N 1 1 453.635 1.763 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343879 1070247367 /nfs/dbraw/zinc/24/73/67/1070247367.db2.gz WBYJVDOQZZBPRQ-VXKWHMMOSA-N 1 1 475.682 1.750 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001493188226 1070248571 /nfs/dbraw/zinc/24/85/71/1070248571.db2.gz ZMEMTLUSZAVCGQ-QZTZHPFYSA-N 1 1 491.637 1.126 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502345444 1070250407 /nfs/dbraw/zinc/25/04/07/1070250407.db2.gz BSEQJGCZJXXEJD-CZSZKKDXSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502345449 1070250498 /nfs/dbraw/zinc/25/04/98/1070250498.db2.gz BSEQJGCZJXXEJD-WATLYSKOSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001502345570 1070251197 /nfs/dbraw/zinc/25/11/97/1070251197.db2.gz CLBKNDOHTIOPOD-GHTZIAJQSA-N 1 1 472.638 1.413 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001493188224 1070249150 /nfs/dbraw/zinc/24/91/50/1070249150.db2.gz ZMEMTLUSZAVCGQ-GGUMNFRJSA-N 1 1 491.637 1.126 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502346005 1070254024 /nfs/dbraw/zinc/25/40/24/1070254024.db2.gz IEKWLSHHDKIWGH-OALUTQOASA-N 1 1 459.664 1.871 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001493194514 1070254405 /nfs/dbraw/zinc/25/44/05/1070254405.db2.gz XNMWHSZYXJTTEX-MRXNPFEDSA-N 1 1 475.619 1.047 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502346062 1070254482 /nfs/dbraw/zinc/25/44/82/1070254482.db2.gz IOVQXSUUPRBCDB-ZJSXRUAMSA-N 1 1 482.677 1.842 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001493194514 1070254432 /nfs/dbraw/zinc/25/44/32/1070254432.db2.gz XNMWHSZYXJTTEX-MRXNPFEDSA-N 1 1 475.619 1.047 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493204004 1070257217 /nfs/dbraw/zinc/25/72/17/1070257217.db2.gz NPAMDDBRPRMPBW-ZCNNSNEGSA-N 1 1 461.655 1.694 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502346273 1070257376 /nfs/dbraw/zinc/25/73/76/1070257376.db2.gz KFCMRUQYWSDBKF-TZIWHRDSSA-N 1 1 461.655 1.236 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(N3CCS(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502346835 1070259155 /nfs/dbraw/zinc/25/91/55/1070259155.db2.gz PCDUXRDNEAABKS-NFBKMPQASA-N 1 1 482.695 1.161 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001493219406 1070263121 /nfs/dbraw/zinc/26/31/21/1070263121.db2.gz QFPCNZISQRMLLM-HCXYKTFWSA-N 1 1 456.657 1.872 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502347003 1070259672 /nfs/dbraw/zinc/25/96/72/1070259672.db2.gz RNTRGIFSQVWLNO-WOJBJXKFSA-N 1 1 461.655 1.535 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493211145 1070259931 /nfs/dbraw/zinc/25/99/31/1070259931.db2.gz BEIXVCFDGMWONQ-XDNAFOTISA-N 1 1 468.668 1.855 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346958 1070260341 /nfs/dbraw/zinc/26/03/41/1070260341.db2.gz QWBJCPAXBPYWIV-FQEVSTJZSA-N 1 1 485.633 1.466 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502347059 1070260751 /nfs/dbraw/zinc/26/07/51/1070260751.db2.gz TUJOPTLRWKBALM-SFHVURJKSA-N 1 1 472.638 1.915 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001493217385 1070261419 /nfs/dbraw/zinc/26/14/19/1070261419.db2.gz QKGCVGVAHDAYJJ-FGTMMUONSA-N 1 1 456.657 1.524 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)C1 ZINC001493216808 1070261628 /nfs/dbraw/zinc/26/16/28/1070261628.db2.gz PJMBYYOXGIFFSU-HSALFYBXSA-N 1 1 498.694 1.594 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCC(CC(N)=O)CC2)CC1 ZINC001502347322 1070262085 /nfs/dbraw/zinc/26/20/85/1070262085.db2.gz XTRJHTDWODIDRJ-LJQANCHMSA-N 1 1 485.681 1.505 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502347368 1070263905 /nfs/dbraw/zinc/26/39/05/1070263905.db2.gz YRTFTBAUCKXQQZ-OAQYLSRUSA-N 1 1 474.675 1.742 20 0 JDADMO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493221667 1070264145 /nfs/dbraw/zinc/26/41/45/1070264145.db2.gz ZUMVTJJWGGINMN-FCGDIQPGSA-N 1 1 456.657 1.727 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502347367 1070264623 /nfs/dbraw/zinc/26/46/23/1070264623.db2.gz YRTFTBAUCKXQQZ-NRFANRHFSA-N 1 1 474.675 1.742 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001502349207 1070265280 /nfs/dbraw/zinc/26/52/80/1070265280.db2.gz PWJVZMYAYOKJPP-KURKYZTESA-N 1 1 459.636 1.100 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001502349282 1070266221 /nfs/dbraw/zinc/26/62/21/1070266221.db2.gz SFNTYOVIFMTFQL-PMACEKPBSA-N 1 1 469.700 1.932 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001502349324 1070266955 /nfs/dbraw/zinc/26/69/55/1070266955.db2.gz TZDUOYXVKNPUBB-QFIPXVFZSA-N 1 1 452.669 1.834 20 0 JDADMO C[C@@H]1C[C@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001493249240 1070267106 /nfs/dbraw/zinc/26/71/06/1070267106.db2.gz WABNULOSHXWJOE-CEXWTWQISA-N 1 1 452.625 1.355 20 0 JDADMO CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493249237 1070267191 /nfs/dbraw/zinc/26/71/91/1070267191.db2.gz VZUXRWKSYFKQPU-WOZUAGRISA-N 1 1 498.694 1.450 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001502349416 1070267488 /nfs/dbraw/zinc/26/74/88/1070267488.db2.gz XHKJDOIHELPWFC-OAQYLSRUSA-N 1 1 490.674 1.995 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCN(C(=O)c3ccccc3O)CC2)CC1 ZINC001502349363 1070267632 /nfs/dbraw/zinc/26/76/32/1070267632.db2.gz VOAMDBSVJYKLLZ-UHFFFAOYSA-N 1 1 455.607 1.672 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502350842 1070268695 /nfs/dbraw/zinc/26/86/95/1070268695.db2.gz DYDSCQOYUGZRIC-OAQYLSRUSA-N 1 1 470.622 1.017 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070273083 /nfs/dbraw/zinc/27/30/83/1070273083.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 1 1 481.711 1.931 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070273113 /nfs/dbraw/zinc/27/31/13/1070273113.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 1 1 481.711 1.931 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264216 1070269514 /nfs/dbraw/zinc/26/95/14/1070269514.db2.gz SIIUDCKSNAYSNY-YDIMBITNSA-N 1 1 459.639 1.891 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001502351246 1070269790 /nfs/dbraw/zinc/26/97/90/1070269790.db2.gz PLRREDCFWXMKBD-UHFFFAOYSA-N 1 1 490.697 1.068 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CC(C)C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)CC1 ZINC001502351168 1070270462 /nfs/dbraw/zinc/27/04/62/1070270462.db2.gz NHWQXBVBGWSJAD-UHFFFAOYSA-N 1 1 474.654 1.415 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)CC1 ZINC001502352514 1070273532 /nfs/dbraw/zinc/27/35/32/1070273532.db2.gz FMKWWTGKSYWUEZ-SFHVURJKSA-N 1 1 488.603 1.517 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)CC1 ZINC001502351399 1070271324 /nfs/dbraw/zinc/27/13/24/1070271324.db2.gz VCGBLOLWNWXGGK-FQEVSTJZSA-N 1 1 499.726 1.511 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502351410 1070272299 /nfs/dbraw/zinc/27/22/99/1070272299.db2.gz VGRWBFYOQIZTPZ-RTWAWAEBSA-N 1 1 459.639 1.941 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267570 1070272640 /nfs/dbraw/zinc/27/26/40/1070272640.db2.gz XFROJAGXWUIFRX-RDGPPVDQSA-N 1 1 483.683 1.348 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268177 1070273498 /nfs/dbraw/zinc/27/34/98/1070273498.db2.gz YLWQYMMPWVLMGA-SWMXPCKBSA-N 1 1 498.694 1.641 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2C[C@H](O)CC3(CCCC3)C2)CC1 ZINC001502352470 1070274011 /nfs/dbraw/zinc/27/40/11/1070274011.db2.gz CZTVJHKEBJUKPQ-HXUWFJFHSA-N 1 1 461.655 1.575 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502352573 1070274609 /nfs/dbraw/zinc/27/46/09/1070274609.db2.gz HLSPSYLRPSYELE-OFVILXPXSA-N 1 1 491.681 1.403 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CC(=O)N(C)[C@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502352574 1070274657 /nfs/dbraw/zinc/27/46/57/1070274657.db2.gz HLSPSYLRPSYELE-PXDATVDWSA-N 1 1 491.681 1.403 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCOC[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502352754 1070275020 /nfs/dbraw/zinc/27/50/20/1070275020.db2.gz NCJGVXNVCXASNW-QPPBQGQZSA-N 1 1 464.655 1.962 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cnn(C)c2)C1 ZINC001493274576 1070275252 /nfs/dbraw/zinc/27/52/52/1070275252.db2.gz DAAITFBTFBFVSI-WSTZPKSXSA-N 1 1 463.652 1.918 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493275701 1070275609 /nfs/dbraw/zinc/27/56/09/1070275609.db2.gz OULAAISDULYXQR-QHAWAJNXSA-N 1 1 494.706 1.853 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@H]2C)C1 ZINC001493277731 1070276206 /nfs/dbraw/zinc/27/62/06/1070276206.db2.gz ZODCDGUZHYISFV-IYWMVGAKSA-N 1 1 484.667 1.204 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001493276048 1070276479 /nfs/dbraw/zinc/27/64/79/1070276479.db2.gz UWCHYRKMMGKNTB-OTWHNJEPSA-N 1 1 468.668 1.668 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001493276046 1070276527 /nfs/dbraw/zinc/27/65/27/1070276527.db2.gz UWCHYRKMMGKNTB-CEXWTWQISA-N 1 1 468.668 1.668 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC001502352819 1070276510 /nfs/dbraw/zinc/27/65/10/1070276510.db2.gz PJYQNTUKQSVHFU-OAQYLSRUSA-N 1 1 498.680 1.339 20 0 JDADMO CCN1C(=O)[C@H]2CN(c3nnc(C(C)(C)C)n3CCCCN3CC[NH+](CC)CC3)CCN2C1=O ZINC001502353023 1070278265 /nfs/dbraw/zinc/27/82/65/1070278265.db2.gz VXQRQJODCYEWPF-LJQANCHMSA-N 1 1 474.654 1.466 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cn3nc(C)cc3C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502353032 1070278483 /nfs/dbraw/zinc/27/84/83/1070278483.db2.gz WFLWJROYGBLGCW-UHFFFAOYSA-N 1 1 486.665 1.947 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCc4nn(C)c(=O)cc4C3)nnc2C(C)(C)C)CC1 ZINC001502352941 1070278988 /nfs/dbraw/zinc/27/89/88/1070278988.db2.gz SQPOWPWYHSNTCJ-UHFFFAOYSA-N 1 1 456.639 1.650 20 0 JDADMO CCN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C)n3CCCCN3CC[NH+](CC)CC3)CCN2C1=O ZINC001502353022 1070279116 /nfs/dbraw/zinc/27/91/16/1070279116.db2.gz VXQRQJODCYEWPF-IBGZPJMESA-N 1 1 474.654 1.466 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502353004 1070279294 /nfs/dbraw/zinc/27/92/94/1070279294.db2.gz VEIMHYSPFXAHKA-QHAWAJNXSA-N 1 1 450.628 1.787 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001502354254 1070279619 /nfs/dbraw/zinc/27/96/19/1070279619.db2.gz DSCVWZCITGHOBH-UHFFFAOYSA-N 1 1 493.678 1.640 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502354196 1070280204 /nfs/dbraw/zinc/28/02/04/1070280204.db2.gz BZNVSTPUTBKSIX-UHFFFAOYSA-N 1 1 479.427 1.342 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCNC(=O)C2)CC1 ZINC001502354597 1070281666 /nfs/dbraw/zinc/28/16/66/1070281666.db2.gz LARPLQYZTUFMLH-UHFFFAOYSA-N 1 1 485.633 1.705 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502354282 1070281979 /nfs/dbraw/zinc/28/19/79/1070281979.db2.gz FTJITIYNPHWZRN-QHCPKHFHSA-N 1 1 485.633 1.323 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502354284 1070282879 /nfs/dbraw/zinc/28/28/79/1070282879.db2.gz FTNIRKOQNYASJH-QHCPKHFHSA-N 1 1 475.041 1.984 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001502354931 1070283887 /nfs/dbraw/zinc/28/38/87/1070283887.db2.gz QGXOMBILCFOOEF-KSZLIROESA-N 1 1 473.713 1.246 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2C2CCC2)CC1 ZINC001502354773 1070284360 /nfs/dbraw/zinc/28/43/60/1070284360.db2.gz NKDUZEJVOULLDR-ICSRJNTNSA-N 1 1 467.684 1.685 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001502355016 1070285316 /nfs/dbraw/zinc/28/53/16/1070285316.db2.gz RGQFQTQYYJQGAL-VQTJNVASSA-N 1 1 469.700 1.788 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001502355166 1070285415 /nfs/dbraw/zinc/28/54/15/1070285415.db2.gz UAJRGPIUVFQAHR-FHWLQOOXSA-N 1 1 455.673 1.398 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2CC=CCC2)CC1 ZINC001502355409 1070288865 /nfs/dbraw/zinc/28/88/65/1070288865.db2.gz XOZGYDUMLMARSZ-UHFFFAOYSA-N 1 1 487.674 1.989 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)CC1 ZINC001502357542 1070291110 /nfs/dbraw/zinc/29/11/10/1070291110.db2.gz AEHYFLAIRMKRFV-UHFFFAOYSA-N 1 1 457.627 1.091 20 0 JDADMO CCN(CC)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001502357209 1070291879 /nfs/dbraw/zinc/29/18/79/1070291879.db2.gz ZAZAQSXMBWQLGO-UHFFFAOYSA-N 1 1 486.669 1.290 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502358815 1070297389 /nfs/dbraw/zinc/29/73/89/1070297389.db2.gz QTUSECPRLJVAIB-HXUWFJFHSA-N 1 1 482.695 1.603 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)CC1 ZINC001502359011 1070297526 /nfs/dbraw/zinc/29/75/26/1070297526.db2.gz SUOUEOKIERDNPY-NRFANRHFSA-N 1 1 474.654 1.271 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(N)=O)c2)CC1 ZINC001502358313 1070294272 /nfs/dbraw/zinc/29/42/72/1070294272.db2.gz JQZDGDPLHYGDLQ-NRFANRHFSA-N 1 1 455.607 1.545 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCCCCC2)CC1 ZINC001502358586 1070296063 /nfs/dbraw/zinc/29/60/63/1070296063.db2.gz NWGQLKXUJSSQRY-NRFANRHFSA-N 1 1 497.710 1.409 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502358665 1070296358 /nfs/dbraw/zinc/29/63/58/1070296358.db2.gz PARWTYGXDHLAMA-JOCHJYFZSA-N 1 1 461.655 1.552 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001502358903 1070297297 /nfs/dbraw/zinc/29/72/97/1070297297.db2.gz RTAMFRBSOLTDMV-YADHBBJMSA-N 1 1 475.682 1.798 20 0 JDADMO CC(C)[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001493401083 1070298748 /nfs/dbraw/zinc/29/87/48/1070298748.db2.gz DXNJLHXXXRZCNS-XWSJACJDSA-N 1 1 456.657 1.870 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCC(NC(=O)C(C)C)CC2)CC1 ZINC001502359144 1070299126 /nfs/dbraw/zinc/29/91/26/1070299126.db2.gz XDIQNDZTPZUNAD-NRFANRHFSA-N 1 1 475.682 1.941 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)N3CCOCC3)CC2)CC1 ZINC001502359066 1070299433 /nfs/dbraw/zinc/29/94/33/1070299433.db2.gz UUNLZXJGHCWTRM-UHFFFAOYSA-N 1 1 490.697 1.469 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001493437924 1070302128 /nfs/dbraw/zinc/30/21/28/1070302128.db2.gz PLXNRKFZLDTVJF-BGYRXZFFSA-N 1 1 485.681 1.978 20 0 JDADMO C[C@@H]1CC[C@@H](C)N(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001493431515 1070300901 /nfs/dbraw/zinc/30/09/01/1070300901.db2.gz SDSJHQDQOCZNAZ-AQNXPRMDSA-N 1 1 459.639 1.968 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC[C@@](C)(C(=O)NC)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502359966 1070300925 /nfs/dbraw/zinc/30/09/25/1070300925.db2.gz HEUDIHHNYVZNFM-RPBOFIJWSA-N 1 1 491.681 1.309 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccnc3)n2CCS(C)(=O)=O)CC1 ZINC001493436876 1070301057 /nfs/dbraw/zinc/30/10/57/1070301057.db2.gz GPZRYTRCWNAORI-KDURUIRLSA-N 1 1 461.636 1.380 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCC[C@@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502360222 1070301452 /nfs/dbraw/zinc/30/14/52/1070301452.db2.gz JZVYXXLATZIIBT-PXDATVDWSA-N 1 1 492.665 1.736 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CCCNS(C)(=O)=O)CC1 ZINC001493437840 1070301473 /nfs/dbraw/zinc/30/14/73/1070301473.db2.gz ORYSTENHQXXAPN-KDURUIRLSA-N 1 1 469.700 1.510 20 0 JDADMO CCN1CC[NH+](CCCn2c(COc3cccc(C)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502360174 1070301809 /nfs/dbraw/zinc/30/18/09/1070301809.db2.gz JGUYLTDHYINSOZ-OAQYLSRUSA-N 1 1 469.634 1.860 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC(=O)N(C)C[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502360374 1070302740 /nfs/dbraw/zinc/30/27/40/1070302740.db2.gz LORRPRWEBDADEX-YKSBVNFPSA-N 1 1 477.654 1.013 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1C[C@H]1CC[C@@H](C)C1 ZINC001493438463 1070303140 /nfs/dbraw/zinc/30/31/40/1070303140.db2.gz AAESOANUNCCOMJ-QYZOEREBSA-N 1 1 478.667 1.770 20 0 JDADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502360270 1070303079 /nfs/dbraw/zinc/30/30/79/1070303079.db2.gz LDUMYNKKJGDENS-NRFANRHFSA-N 1 1 453.635 1.758 20 0 JDADMO CCn1nc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001502361897 1070305251 /nfs/dbraw/zinc/30/52/51/1070305251.db2.gz RXEBUTFRENBNAJ-QGZVFWFLSA-N 1 1 487.630 1.638 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC(C)CC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001493481617 1070305938 /nfs/dbraw/zinc/30/59/38/1070305938.db2.gz VZTLVABLXWKBTD-XBMUEBEBSA-N 1 1 466.652 1.552 20 0 JDADMO CC1CCC([NH+]2CCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CCCC(=O)N(C)C)CC2)CC1 ZINC001493481071 1070306195 /nfs/dbraw/zinc/30/61/95/1070306195.db2.gz QLANWFKYSACLGV-GPJFCIFZSA-N 1 1 480.679 1.749 20 0 JDADMO CCn1nc(-c2nnc(N(C)CCCC(=O)NC)n2CCn2cc[nH+]c2C)c2ccccc2c1=O ZINC001502363271 1070309328 /nfs/dbraw/zinc/30/93/28/1070309328.db2.gz XWVLNBWAPPLSOF-UHFFFAOYSA-N 1 1 477.573 1.842 20 0 JDADMO CCn1nc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CC[N@@H+](C)CCCOC)c2ccccc2c1=O ZINC001502366300 1070311737 /nfs/dbraw/zinc/31/17/37/1070311737.db2.gz CTJADGINPOKREH-NQIIRXRSSA-N 1 1 483.617 1.850 20 0 JDADMO CCn1nc(-c2nnc(N3CCN(C(C)=O)C[C@@H]3C)n2CC[N@@H+](C)CCOC)c2ccccc2c1=O ZINC001502366628 1070313012 /nfs/dbraw/zinc/31/30/12/1070313012.db2.gz ORDZHZKNBZYYSY-SFHVURJKSA-N 1 1 496.616 1.310 20 0 JDADMO CCn1nc(-c2nnc(N3CCC[N@@H+](C(C)C)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O ZINC001502366938 1070314525 /nfs/dbraw/zinc/31/45/25/1070314525.db2.gz YBQWUOKSHFTBNG-UHFFFAOYSA-N 1 1 487.630 1.640 20 0 JDADMO CCn1nc(-c2nnc(N3CCC[N@H+](C(C)C)CC3)n2CCS(C)(=O)=O)c2ccccc2c1=O ZINC001502366938 1070314549 /nfs/dbraw/zinc/31/45/49/1070314549.db2.gz YBQWUOKSHFTBNG-UHFFFAOYSA-N 1 1 487.630 1.640 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001502368931 1070316587 /nfs/dbraw/zinc/31/65/87/1070316587.db2.gz VDDCRNGXMMRDSL-UHFFFAOYSA-N 1 1 473.626 1.024 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(C)(=O)=O)C1 ZINC001493646708 1070323748 /nfs/dbraw/zinc/32/37/48/1070323748.db2.gz DBADOJOCFZMAKN-FGTMMUONSA-N 1 1 452.625 1.365 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493652529 1070325955 /nfs/dbraw/zinc/32/59/55/1070325955.db2.gz PZJRXZPKNWQLIV-MOPGFXCFSA-N 1 1 496.678 1.306 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCNS(C)(=O)=O)C1 ZINC001493651938 1070326164 /nfs/dbraw/zinc/32/61/64/1070326164.db2.gz WVYZXGDURURKGW-QYZOEREBSA-N 1 1 454.641 1.422 20 0 JDADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCC[C@H]1C ZINC001493668388 1070328658 /nfs/dbraw/zinc/32/86/58/1070328658.db2.gz ZFAZAFHLLFNDHU-QRVBRYPASA-N 1 1 468.668 1.923 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001493659634 1070327060 /nfs/dbraw/zinc/32/70/60/1070327060.db2.gz CBKQRXCCNWVXTG-GOSISDBHSA-N 1 1 481.667 1.297 20 0 JDADMO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@H]2C)C[C@@H]1O ZINC001493665963 1070327710 /nfs/dbraw/zinc/32/77/10/1070327710.db2.gz GPUOEQPQSWLLLG-YSTOQKLRSA-N 1 1 484.667 1.083 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493672333 1070329245 /nfs/dbraw/zinc/32/92/45/1070329245.db2.gz BQHPMUHIFYVXHS-KURKYZTESA-N 1 1 481.667 1.210 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493672876 1070329321 /nfs/dbraw/zinc/32/93/21/1070329321.db2.gz CTBFIROFEPFWSX-RBUKOAKNSA-N 1 1 454.641 1.866 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CCCOC3)nnc2N(C)CC(=O)N2CCOCC2)C1 ZINC001493682083 1070333325 /nfs/dbraw/zinc/33/33/25/1070333325.db2.gz RLDNHCYBBMMGNW-WOJBJXKFSA-N 1 1 462.639 1.978 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001493680887 1070333360 /nfs/dbraw/zinc/33/33/60/1070333360.db2.gz JUIGWTWSKOGYAH-LJQANCHMSA-N 1 1 486.669 1.713 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493673480 1070330014 /nfs/dbraw/zinc/33/00/14/1070330014.db2.gz GGNVNVLKFYNLCT-IAGOWNOFSA-N 1 1 485.699 1.750 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493673477 1070330058 /nfs/dbraw/zinc/33/00/58/1070330058.db2.gz GGNVNVLKFYNLCT-DLBZAZTESA-N 1 1 485.699 1.750 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC001502384797 1070330429 /nfs/dbraw/zinc/33/04/29/1070330429.db2.gz YXLPEYKJCPHWES-SFHVURJKSA-N 1 1 482.695 1.901 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493687786 1070333927 /nfs/dbraw/zinc/33/39/27/1070333927.db2.gz CWSOYVQANQFOQW-KZNAEPCWSA-N 1 1 477.635 1.915 20 0 JDADMO C[C@H](CS(C)(=O)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493687786 1070333945 /nfs/dbraw/zinc/33/39/45/1070333945.db2.gz CWSOYVQANQFOQW-KZNAEPCWSA-N 1 1 477.635 1.915 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493678612 1070331326 /nfs/dbraw/zinc/33/13/26/1070331326.db2.gz VPNBMQZLUUDSKS-OWCLPIDISA-N 1 1 457.645 1.099 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493684284 1070333858 /nfs/dbraw/zinc/33/38/58/1070333858.db2.gz YRTIUPLJHFDPIG-WOJBJXKFSA-N 1 1 488.681 1.386 20 0 JDADMO CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493680742 1070332013 /nfs/dbraw/zinc/33/20/13/1070332013.db2.gz HDFRJEYXHPRYTM-MOPGFXCFSA-N 1 1 482.695 1.899 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C(N)=O)CC2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493679803 1070332090 /nfs/dbraw/zinc/33/20/90/1070332090.db2.gz ZUKFCZXWNYLIAV-HZPDHXFCSA-N 1 1 469.656 1.101 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cccnc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493680670 1070332230 /nfs/dbraw/zinc/33/22/30/1070332230.db2.gz FSVLOVBPDHGWCN-GOSISDBHSA-N 1 1 461.636 1.932 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493679619 1070332520 /nfs/dbraw/zinc/33/25/20/1070332520.db2.gz YYVSBCRYOLVVPA-ROUUACIJSA-N 1 1 466.656 1.732 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001493682829 1070333115 /nfs/dbraw/zinc/33/31/15/1070333115.db2.gz ULGGTBNWMAOEAU-VQTJNVASSA-N 1 1 494.706 1.995 20 0 JDADMO C[C@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001493680793 1070333176 /nfs/dbraw/zinc/33/31/76/1070333176.db2.gz HYLCDMDGYRGIAY-ICSRJNTNSA-N 1 1 498.694 1.330 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CO)CC2)C1 ZINC001493680794 1070333243 /nfs/dbraw/zinc/33/32/43/1070333243.db2.gz HYLCDMDGYRGIAY-QUCCMNQESA-N 1 1 498.694 1.330 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493682832 1070334110 /nfs/dbraw/zinc/33/41/10/1070334110.db2.gz ULGGTBNWMAOEAU-WOJBJXKFSA-N 1 1 494.706 1.995 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493684282 1070334274 /nfs/dbraw/zinc/33/42/74/1070334274.db2.gz YRTIUPLJHFDPIG-UXHICEINSA-N 1 1 488.681 1.386 20 0 JDADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC001493687020 1070334339 /nfs/dbraw/zinc/33/43/39/1070334339.db2.gz AUIMKNHIUPEBIH-KURKYZTESA-N 1 1 491.662 1.744 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493689193 1070335329 /nfs/dbraw/zinc/33/53/29/1070335329.db2.gz HKWFTMPTTWKBOB-WOJBJXKFSA-N 1 1 476.670 1.183 20 0 JDADMO CC(C)NC(=O)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001493688544 1070335545 /nfs/dbraw/zinc/33/55/45/1070335545.db2.gz GMDBVDWFASXQIE-ZWKOTPCHSA-N 1 1 483.683 1.397 20 0 JDADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690928 1070335846 /nfs/dbraw/zinc/33/58/46/1070335846.db2.gz LGPMTQDFMSNCQC-BRWVUGGUSA-N 1 1 469.656 1.101 20 0 JDADMO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690932 1070336180 /nfs/dbraw/zinc/33/61/80/1070336180.db2.gz LGPMTQDFMSNCQC-IKGGRYGDSA-N 1 1 469.656 1.101 20 0 JDADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493692356 1070336204 /nfs/dbraw/zinc/33/62/04/1070336204.db2.gz OTTNRUNNEXIDER-AKHDSKFASA-N 1 1 495.694 1.504 20 0 JDADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493692359 1070336414 /nfs/dbraw/zinc/33/64/14/1070336414.db2.gz OTTNRUNNEXIDER-NCXUSEDFSA-N 1 1 495.694 1.504 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001493693273 1070337070 /nfs/dbraw/zinc/33/70/70/1070337070.db2.gz SEOZFGXSZZTXBF-IRXDYDNUSA-N 1 1 454.641 1.550 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001493693273 1070337089 /nfs/dbraw/zinc/33/70/89/1070337089.db2.gz SEOZFGXSZZTXBF-IRXDYDNUSA-N 1 1 454.641 1.550 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493693272 1070337709 /nfs/dbraw/zinc/33/77/09/1070337709.db2.gz SEOZFGXSZZTXBF-IAGOWNOFSA-N 1 1 454.641 1.550 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493693272 1070337742 /nfs/dbraw/zinc/33/77/42/1070337742.db2.gz SEOZFGXSZZTXBF-IAGOWNOFSA-N 1 1 454.641 1.550 20 0 JDADMO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001493708438 1070339233 /nfs/dbraw/zinc/33/92/33/1070339233.db2.gz AOJMSGYZNPAKJY-WSTZPKSXSA-N 1 1 494.666 1.101 20 0 JDADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493714479 1070340015 /nfs/dbraw/zinc/34/00/15/1070340015.db2.gz LAHZYFIORFTFDY-AQNXPRMDSA-N 1 1 475.638 1.076 20 0 JDADMO C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493713574 1070340160 /nfs/dbraw/zinc/34/01/60/1070340160.db2.gz KNTBFCOALFQKOA-SJORKVTESA-N 1 1 459.620 1.668 20 0 JDADMO C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493717691 1070340790 /nfs/dbraw/zinc/34/07/90/1070340790.db2.gz RRYHUICWXVEDMJ-WTGUMLROSA-N 1 1 468.668 1.668 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001493724478 1070341455 /nfs/dbraw/zinc/34/14/55/1070341455.db2.gz PTNWDANOXUDCAH-RTBURBONSA-N 1 1 469.700 1.788 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001493724468 1070341555 /nfs/dbraw/zinc/34/15/55/1070341555.db2.gz PTNWDANOXUDCAH-MOPGFXCFSA-N 1 1 469.700 1.788 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786325 1070344607 /nfs/dbraw/zinc/34/46/07/1070344607.db2.gz RTAUUUNZMYKZSO-FGSXEWAUSA-N 1 1 481.667 1.117 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493786328 1070344696 /nfs/dbraw/zinc/34/46/96/1070344696.db2.gz RTAUUUNZMYKZSO-KGVIQGDOSA-N 1 1 481.667 1.117 20 0 JDADMO CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[N@@H+](CCOC)[C@H](CC)C2)CCC1 ZINC001502401786 1070345201 /nfs/dbraw/zinc/34/52/01/1070345201.db2.gz YQQYFSSQCIEFGB-MSOLQXFVSA-N 1 1 461.611 1.083 20 0 JDADMO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001493791254 1070345447 /nfs/dbraw/zinc/34/54/47/1070345447.db2.gz GLFUQEYPATZRPT-UWHLTILDSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@H]1CCC[N@@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)C1 ZINC001493793895 1070346272 /nfs/dbraw/zinc/34/62/72/1070346272.db2.gz SNUNEGQZJLJBGC-VQTJNVASSA-N 1 1 492.694 1.956 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCCCn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001493793365 1070346357 /nfs/dbraw/zinc/34/63/57/1070346357.db2.gz PMZCDACHNXYKSY-HSALFYBXSA-N 1 1 468.668 1.764 20 0 JDADMO C[C@H]1CCC[N@@H+](CCCCn2c(Nc3ccn(C)n3)nnc2[C@@H]2CN(S(C)(=O)=O)CCO2)C1 ZINC001493795787 1070347292 /nfs/dbraw/zinc/34/72/92/1070347292.db2.gz HHBDRTNHVRDARO-ROUUACIJSA-N 1 1 480.639 1.600 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493795633 1070347583 /nfs/dbraw/zinc/34/75/83/1070347583.db2.gz FCFIRRKCORODQP-KRWDZBQOSA-N 1 1 469.656 1.008 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796173 1070348574 /nfs/dbraw/zinc/34/85/74/1070348574.db2.gz JWSVARRMDYCNST-DLBZAZTESA-N 1 1 477.635 1.356 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001493796465 1070348647 /nfs/dbraw/zinc/34/86/47/1070348647.db2.gz LEZXCOIYZMAZNV-IRXDYDNUSA-N 1 1 495.616 1.695 20 0 JDADMO CC(C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001493784214 1070344474 /nfs/dbraw/zinc/34/44/74/1070344474.db2.gz AVGJHRSAKUTVGZ-QFIPXVFZSA-N 1 1 475.682 1.894 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493797586 1070349970 /nfs/dbraw/zinc/34/99/70/1070349970.db2.gz PCNZXLOYICUNPP-QZTJIDSGSA-N 1 1 483.683 1.315 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493797908 1070349998 /nfs/dbraw/zinc/34/99/98/1070349998.db2.gz POFNQVZDBJLDFQ-DYESRHJHSA-N 1 1 452.625 1.163 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493797908 1070350013 /nfs/dbraw/zinc/35/00/13/1070350013.db2.gz POFNQVZDBJLDFQ-DYESRHJHSA-N 1 1 452.625 1.163 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)C(C)(C)C)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493797583 1070350057 /nfs/dbraw/zinc/35/00/57/1070350057.db2.gz PCNZXLOYICUNPP-MSOLQXFVSA-N 1 1 483.683 1.315 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)C1 ZINC001493797839 1070350311 /nfs/dbraw/zinc/35/03/11/1070350311.db2.gz PHZWMNRFVPTYPU-INIZCTEOSA-N 1 1 459.982 1.530 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001493811786 1070354472 /nfs/dbraw/zinc/35/44/72/1070354472.db2.gz WYLPDDFSKFRTSG-LJQANCHMSA-N 1 1 459.639 1.827 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(N)=O)c2)C1 ZINC001493803820 1070351095 /nfs/dbraw/zinc/35/10/95/1070351095.db2.gz BKZIMBOSBNHKKD-PXNSSMCTSA-N 1 1 474.631 1.647 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCCO3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001493819498 1070354092 /nfs/dbraw/zinc/35/40/92/1070354092.db2.gz MMHQPPZXOQJMAP-IEBWSBKVSA-N 1 1 454.641 1.722 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804033 1070351313 /nfs/dbraw/zinc/35/13/13/1070351313.db2.gz BYTGQMYAENOIBC-QUCCMNQESA-N 1 1 453.653 1.901 20 0 JDADMO CCNC(=O)c1ccc(Cn2c(Cc3cccnc3)nnc2N2CC[NH+](CCOC)CC2)cc1 ZINC001502414067 1070351860 /nfs/dbraw/zinc/35/18/60/1070351860.db2.gz ALXXUTGMDXBLGH-UHFFFAOYSA-N 1 1 463.586 1.830 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001493807415 1070352304 /nfs/dbraw/zinc/35/23/04/1070352304.db2.gz XXHIQAXCXZAXSY-SJORKVTESA-N 1 1 478.585 1.596 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCN(CC(F)(F)F)CC2)C1 ZINC001493807412 1070352404 /nfs/dbraw/zinc/35/24/04/1070352404.db2.gz XXHIQAXCXZAXSY-DLBZAZTESA-N 1 1 478.585 1.596 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001493807505 1070352558 /nfs/dbraw/zinc/35/25/58/1070352558.db2.gz ZPHUSTWONUOSBY-OALUTQOASA-N 1 1 480.679 1.607 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c(Cc3ccccn3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC001493808037 1070353068 /nfs/dbraw/zinc/35/30/68/1070353068.db2.gz FWCLABOVAXMLEK-IBGZPJMESA-N 1 1 475.663 1.856 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCn2c(Cc3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001493808069 1070353414 /nfs/dbraw/zinc/35/34/14/1070353414.db2.gz GMISWBJTAGXXQW-MOPGFXCFSA-N 1 1 461.636 1.466 20 0 JDADMO CC(C)O[C@]1(c2nnc(N(C)CCN3CCOCC3)n2CC[N@H+]2CCC[C@H](C)C2)CCOC1 ZINC001493807664 1070353455 /nfs/dbraw/zinc/35/34/55/1070353455.db2.gz BUCKLDRGIPKQCY-XUZZJYLKSA-N 1 1 464.655 1.819 20 0 JDADMO C[C@H]1CCC[N@H+]1CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC001493840337 1070356888 /nfs/dbraw/zinc/35/68/88/1070356888.db2.gz BSQYMBNGTIAUNP-JKSUJKDBSA-N 1 1 494.522 1.915 20 0 JDADMO CCNC(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CC[NH+](CCOC)CC2)c1 ZINC001502417713 1070357096 /nfs/dbraw/zinc/35/70/96/1070357096.db2.gz ROTFXKDHMOKHAO-UHFFFAOYSA-N 1 1 450.547 1.302 20 0 JDADMO C[C@H]1CCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001493843398 1070357153 /nfs/dbraw/zinc/35/71/53/1070357153.db2.gz BLWSTSBXEXQOLK-ZWKOTPCHSA-N 1 1 484.667 1.489 20 0 JDADMO C[C@@H]1CCC[N@H+]1CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001493843052 1070357593 /nfs/dbraw/zinc/35/75/93/1070357593.db2.gz NCVFCTNQPJSIJM-MJGOQNOKSA-N 1 1 489.646 1.381 20 0 JDADMO C[C@@H]1CCC[N@H+]1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001493844786 1070358379 /nfs/dbraw/zinc/35/83/79/1070358379.db2.gz HTZLDBBCEIJYRC-KURKYZTESA-N 1 1 482.651 1.768 20 0 JDADMO C[C@H]1CCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 ZINC001493844818 1070358555 /nfs/dbraw/zinc/35/85/55/1070358555.db2.gz HWEBUPSZDFZVEN-ROUUACIJSA-N 1 1 454.641 1.722 20 0 JDADMO 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CCOCc1nnc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1C[C@@H]1CC[N@@H+](CC)C1 ZINC001503117957 1071082911 /nfs/dbraw/zinc/08/29/11/1071082911.db2.gz RPPQYARCIKMAHH-OAQYLSRUSA-N 1 1 476.647 1.808 20 0 JDADMO COc1cccc(CC(=O)N2CCN(c3nnc(C)n3CC3CCN(CC[NH+](C)C)CC3)CC2)c1 ZINC001504353311 1071084270 /nfs/dbraw/zinc/08/42/70/1071084270.db2.gz VHHZKHNSUHLRBZ-UHFFFAOYSA-N 1 1 483.661 1.760 20 0 JDADMO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC001503124392 1071090450 /nfs/dbraw/zinc/09/04/50/1071090450.db2.gz MPMYRGJCNWZNCP-GBESFXJTSA-N 1 1 480.610 1.830 20 0 JDADMO CCOCc1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC001503124392 1071090467 /nfs/dbraw/zinc/09/04/67/1071090467.db2.gz MPMYRGJCNWZNCP-GBESFXJTSA-N 1 1 480.610 1.830 20 0 JDADMO CCOCc1nnc(N2C[C@@H](C3CC3)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001503132032 1071093651 /nfs/dbraw/zinc/09/36/51/1071093651.db2.gz JEQVWODSGNPPSC-IXFSTUDKSA-N 1 1 464.611 1.621 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(-c4cnccn4)n3C[C@H](C)OC)CC2)c1 ZINC001504367633 1071101109 /nfs/dbraw/zinc/10/11/09/1071101109.db2.gz GQRHOHHARDCXMW-SFHVURJKSA-N 1 1 453.547 1.980 20 0 JDADMO CCOC[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC001503144696 1071100280 /nfs/dbraw/zinc/10/02/80/1071100280.db2.gz ZBSRSWIHEMJWCY-NJYVYQBISA-N 1 1 498.694 1.596 20 0 JDADMO COc1cccc2c1CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[N@H+]1CCC[C@@H]1C)C2 ZINC001504368085 1071101906 /nfs/dbraw/zinc/10/19/06/1071101906.db2.gz IKNGXNBTDMROAD-DLBZAZTESA-N 1 1 462.620 1.944 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C(=O)NC(C)C)n3Cc3cc(C)nn3C)CC2)c1 ZINC001504368232 1071102223 /nfs/dbraw/zinc/10/22/23/1071102223.db2.gz KPFRXALKTMIXQA-UHFFFAOYSA-N 1 1 496.616 1.716 20 0 JDADMO COc1ccccc1[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)CC1)[NH+]1CCCC1 ZINC001504368746 1071102863 /nfs/dbraw/zinc/10/28/63/1071102863.db2.gz IJWKUEDFHLKOHW-LJQANCHMSA-N 1 1 474.631 1.831 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(-c4cccc(C)n4)n3CC(=O)N(C)C)CC2)c1 ZINC001504368682 1071103056 /nfs/dbraw/zinc/10/30/56/1071103056.db2.gz LIDPUDBVZBRDBM-UHFFFAOYSA-N 1 1 479.585 1.946 20 0 JDADMO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001503148879 1071103231 /nfs/dbraw/zinc/10/32/31/1071103231.db2.gz QBTFTQIGEWJHRF-IXDOHACOSA-N 1 1 451.597 1.210 20 0 JDADMO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001503148878 1071103618 /nfs/dbraw/zinc/10/36/18/1071103618.db2.gz QBTFTQIGEWJHRF-GVDBMIGSSA-N 1 1 451.597 1.210 20 0 JDADMO CCOC[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001503149629 1071104357 /nfs/dbraw/zinc/10/43/57/1071104357.db2.gz MPRIQHPSBWQFFJ-HXUWFJFHSA-N 1 1 486.617 1.989 20 0 JDADMO COc1cccc(OCC[NH+]2CCN(c3nnc(C)n3CC3CCS(=O)(=O)CC3)CC2)c1 ZINC001504371083 1071106230 /nfs/dbraw/zinc/10/62/30/1071106230.db2.gz ZQUIPINLDLJIOH-UHFFFAOYSA-N 1 1 463.604 1.621 20 0 JDADMO COc1ccccc1-c1nnc(N(C)CC(C)(C)C[NH+]2CCOCC2)n1CC(=O)N1CCOCC1 ZINC001504374011 1071108160 /nfs/dbraw/zinc/10/81/60/1071108160.db2.gz RHLNIRVPGNOFQA-UHFFFAOYSA-N 1 1 486.617 1.607 20 0 JDADMO COc1ccccc1-c1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCS(=O)(=O)NC(C)C ZINC001504378686 1071111771 /nfs/dbraw/zinc/11/17/71/1071111771.db2.gz PNPAYRSJRNMKEC-ICSRJNTNSA-N 1 1 492.646 1.438 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504378963 1071112709 /nfs/dbraw/zinc/11/27/09/1071112709.db2.gz JTYDJLIDNYXYHL-SFHVURJKSA-N 1 1 492.646 1.440 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504378963 1071112725 /nfs/dbraw/zinc/11/27/25/1071112725.db2.gz JTYDJLIDNYXYHL-SFHVURJKSA-N 1 1 492.646 1.440 20 0 JDADMO COc1ccccc1-c1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCS(=O)(=O)NC(C)C ZINC001504378690 1071111924 /nfs/dbraw/zinc/11/19/24/1071111924.db2.gz PNPAYRSJRNMKEC-UYAOXDASSA-N 1 1 492.646 1.438 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CCC[NH+]1CCOCC1 ZINC001504384684 1071116751 /nfs/dbraw/zinc/11/67/51/1071116751.db2.gz MRYFNYJZSCPMRB-IBGZPJMESA-N 1 1 492.646 1.442 20 0 JDADMO CCOCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503169365 1071117706 /nfs/dbraw/zinc/11/77/06/1071117706.db2.gz SJKIVMBZQKHSPY-PZJWPPBQSA-N 1 1 498.632 1.731 20 0 JDADMO COc1ccccc1-c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC(=O)NCC(F)(F)F ZINC001504381971 1071114356 /nfs/dbraw/zinc/11/43/56/1071114356.db2.gz RKEWZICQASWYKS-MRXNPFEDSA-N 1 1 482.507 1.791 20 0 JDADMO COc1ccccc1-c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001504382883 1071115162 /nfs/dbraw/zinc/11/51/62/1071115162.db2.gz ZVZGPPSFJJXPOG-UYAOXDASSA-N 1 1 483.617 1.563 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001504387903 1071121389 /nfs/dbraw/zinc/12/13/89/1071121389.db2.gz KZAONIQXGISFIV-UHFFFAOYSA-N 1 1 497.644 1.860 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)n1CCNC(=O)C(C)C ZINC001504387903 1071121402 /nfs/dbraw/zinc/12/14/02/1071121402.db2.gz KZAONIQXGISFIV-UHFFFAOYSA-N 1 1 497.644 1.860 20 0 JDADMO COc1ccccc1-c1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCOCCS(C)(=O)=O ZINC001504387271 1071119890 /nfs/dbraw/zinc/11/98/90/1071119890.db2.gz DMQVWEUTOWDTOA-UHFFFAOYSA-N 1 1 465.620 1.935 20 0 JDADMO COc1ccccc1-c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CCS(=O)(=O)NC(C)C ZINC001504387316 1071119914 /nfs/dbraw/zinc/11/99/14/1071119914.db2.gz HPRQMUKPCQGMDO-SFHVURJKSA-N 1 1 462.620 1.956 20 0 JDADMO CCOCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503174052 1071120343 /nfs/dbraw/zinc/12/03/43/1071120343.db2.gz BMNSKZZJFHCNLA-FPOVZHCZSA-N 1 1 475.638 1.206 20 0 JDADMO CCOCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503173789 1071120462 /nfs/dbraw/zinc/12/04/62/1071120462.db2.gz MQNHNYWSNNCHHN-OALUTQOASA-N 1 1 455.625 1.155 20 0 JDADMO CCOCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503174058 1071121158 /nfs/dbraw/zinc/12/11/58/1071121158.db2.gz BMNSKZZJFHCNLA-TZIWHRDSSA-N 1 1 475.638 1.206 20 0 JDADMO CCOCCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503174505 1071121259 /nfs/dbraw/zinc/12/12/59/1071121259.db2.gz WUTVUQMDSRUITB-DENIHFKCSA-N 1 1 470.622 1.931 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+](C)C(C)C ZINC001504390680 1071126645 /nfs/dbraw/zinc/12/66/45/1071126645.db2.gz RDQZRWYZQOTGBR-UHFFFAOYSA-N 1 1 455.607 1.695 20 0 JDADMO COc1ccccc1-c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001504391020 1071126657 /nfs/dbraw/zinc/12/66/57/1071126657.db2.gz USGCTHDARXXNSQ-FQEVSTJZSA-N 1 1 485.633 1.011 20 0 JDADMO COc1ccccc1Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001504398339 1071133108 /nfs/dbraw/zinc/13/31/08/1071133108.db2.gz JTYIUOSYJJVKEF-YUVXSKOASA-N 1 1 473.618 1.963 20 0 JDADMO COc1ccccc1Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001504398339 1071133123 /nfs/dbraw/zinc/13/31/23/1071133123.db2.gz JTYIUOSYJJVKEF-YUVXSKOASA-N 1 1 473.618 1.963 20 0 JDADMO CCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001503181734 1071129677 /nfs/dbraw/zinc/12/96/77/1071129677.db2.gz NHDWQHJSTBMOQG-QHAWAJNXSA-N 1 1 482.695 1.602 20 0 JDADMO CCOCCCn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)CC1 ZINC001503182810 1071130707 /nfs/dbraw/zinc/13/07/07/1071130707.db2.gz DNBHHYIMKDTEEF-UHFFFAOYSA-N 1 1 460.648 1.638 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001504401850 1071136508 /nfs/dbraw/zinc/13/65/08/1071136508.db2.gz UJTOODUPBGVGGZ-AZUAARDMSA-N 1 1 456.591 1.391 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001504401853 1071136578 /nfs/dbraw/zinc/13/65/78/1071136578.db2.gz UJTOODUPBGVGGZ-ICSRJNTNSA-N 1 1 456.591 1.391 20 0 JDADMO CCOCCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001503195440 1071140004 /nfs/dbraw/zinc/14/00/04/1071140004.db2.gz JUMHBLQHROXYMS-XMMPIXPASA-N 1 1 469.590 1.604 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CCCNC(C)=O ZINC001504404065 1071138335 /nfs/dbraw/zinc/13/83/35/1071138335.db2.gz REDVIJRJLFOXSA-FQEVSTJZSA-N 1 1 456.591 1.562 20 0 JDADMO CCOCCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001503193095 1071138754 /nfs/dbraw/zinc/13/87/54/1071138754.db2.gz AMIAOVZDTKJAJW-NRFANRHFSA-N 1 1 452.625 1.081 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504406043 1071141298 /nfs/dbraw/zinc/14/12/98/1071141298.db2.gz FNPJQJMEIAZGJJ-NBGIEHNGSA-N 1 1 470.618 1.936 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@](C)(C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504405842 1071141907 /nfs/dbraw/zinc/14/19/07/1071141907.db2.gz FNPJQJMEIAZGJJ-CPJSRVTESA-N 1 1 470.618 1.936 20 0 JDADMO CCOCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]([NH+]2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503199053 1071142511 /nfs/dbraw/zinc/14/25/11/1071142511.db2.gz JDLDVUFYLBLRDB-PXNSSMCTSA-N 1 1 463.627 1.222 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504406121 1071142907 /nfs/dbraw/zinc/14/29/07/1071142907.db2.gz IBLZUEHIFWXMCR-PMACEKPBSA-N 1 1 456.591 1.546 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H](C(C)C)[NH+]1CCOCC1 ZINC001504406122 1071143205 /nfs/dbraw/zinc/14/32/05/1071143205.db2.gz IBLZUEHIFWXMCR-UXHICEINSA-N 1 1 456.591 1.546 20 0 JDADMO CCOCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503199055 1071143057 /nfs/dbraw/zinc/14/30/57/1071143057.db2.gz JDLDVUFYLBLRDB-YLJYHZDGSA-N 1 1 463.627 1.222 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001504406931 1071143779 /nfs/dbraw/zinc/14/37/79/1071143779.db2.gz MHGAHDPKTCWSJL-XMMPIXPASA-N 1 1 456.591 1.690 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CCCNC(C)=O ZINC001504407170 1071145328 /nfs/dbraw/zinc/14/53/28/1071145328.db2.gz LYQAOOBJMRJQEF-UHFFFAOYSA-N 1 1 480.617 1.850 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)n1CC(=O)NC(C)C ZINC001504407750 1071146452 /nfs/dbraw/zinc/14/64/52/1071146452.db2.gz RQHHUNIXTSDSJA-UHFFFAOYSA-N 1 1 480.617 1.848 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001504408211 1071148225 /nfs/dbraw/zinc/14/82/25/1071148225.db2.gz WYFYNFYJGIMVFP-JTSKRJEESA-N 1 1 496.534 1.449 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCC[N@H+](C(C)C)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001504408362 1071148391 /nfs/dbraw/zinc/14/83/91/1071148391.db2.gz YERNAUNAJBHABD-IBGZPJMESA-N 1 1 469.590 1.786 20 0 JDADMO CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503204007 1071148930 /nfs/dbraw/zinc/14/89/30/1071148930.db2.gz JNHBWBNGWLTWTN-WIYYLYMNSA-N 1 1 486.617 1.988 20 0 JDADMO CCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)[C@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503203997 1071149000 /nfs/dbraw/zinc/14/90/00/1071149000.db2.gz JNHBWBNGWLTWTN-GHTZIAJQSA-N 1 1 486.617 1.988 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(CC(F)F)CC2)n1CCC[NH+]1CCOCC1 ZINC001504409075 1071150194 /nfs/dbraw/zinc/15/01/94/1071150194.db2.gz AXTPSWDSPQUYCV-UHFFFAOYSA-N 1 1 464.561 1.987 20 0 JDADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001503210479 1071154819 /nfs/dbraw/zinc/15/48/19/1071154819.db2.gz HBTSEKBJGHTYKI-SFTDATJTSA-N 1 1 492.646 1.358 20 0 JDADMO CCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001503210478 1071155421 /nfs/dbraw/zinc/15/54/21/1071155421.db2.gz HBTSEKBJGHTYKI-RTWAWAEBSA-N 1 1 492.646 1.358 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001504410903 1071157205 /nfs/dbraw/zinc/15/72/05/1071157205.db2.gz SXIHCKOMNJHMDP-HXUWFJFHSA-N 1 1 483.617 1.099 20 0 JDADMO CCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001503212757 1071159442 /nfs/dbraw/zinc/15/94/42/1071159442.db2.gz RPWSWFPRPZOMDQ-QGZVFWFLSA-N 1 1 475.619 1.049 20 0 JDADMO CCOCCn1c(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001503214686 1071161716 /nfs/dbraw/zinc/16/17/16/1071161716.db2.gz NTLJYZLJGIPKGG-HSZRJFAPSA-N 1 1 461.611 1.801 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CCC[N@@H+](C)C(C)C ZINC001504412722 1071162499 /nfs/dbraw/zinc/16/24/99/1071162499.db2.gz NVBPRGLLCZJJJO-UHFFFAOYSA-N 1 1 499.660 1.781 20 0 JDADMO CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503211953 1071158135 /nfs/dbraw/zinc/15/81/35/1071158135.db2.gz LMBMFIYFDWHTLN-PGRDOPGGSA-N 1 1 472.638 1.555 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164648 /nfs/dbraw/zinc/16/46/48/1071164648.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 1 1 459.639 1.713 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164656 /nfs/dbraw/zinc/16/46/56/1071164656.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 1 1 459.639 1.713 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC001503216698 1071165811 /nfs/dbraw/zinc/16/58/11/1071165811.db2.gz PKKJJKOBUZKHQM-SFHVURJKSA-N 1 1 486.617 1.955 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)CC1 ZINC001503216189 1071166015 /nfs/dbraw/zinc/16/60/15/1071166015.db2.gz BFXLDIQGYAZRGB-AWEZNQCLSA-N 1 1 450.556 1.092 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001504414207 1071165960 /nfs/dbraw/zinc/16/59/60/1071165960.db2.gz ATIUYXYASFAEED-OALUTQOASA-N 1 1 461.632 1.946 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504414206 1071166103 /nfs/dbraw/zinc/16/61/03/1071166103.db2.gz ATIUYXYASFAEED-KDURUIRLSA-N 1 1 461.632 1.946 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001504414206 1071166112 /nfs/dbraw/zinc/16/61/12/1071166112.db2.gz ATIUYXYASFAEED-KDURUIRLSA-N 1 1 461.632 1.946 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001503216999 1071166846 /nfs/dbraw/zinc/16/68/46/1071166846.db2.gz SIZRBLIOSMYFKU-UHFFFAOYSA-N 1 1 493.572 1.486 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)OC(C)(C)C)CC1 ZINC001503217139 1071167239 /nfs/dbraw/zinc/16/72/39/1071167239.db2.gz UWQBJGOCZKMFHK-UHFFFAOYSA-N 1 1 479.626 1.587 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N2CCOCC2)CC1 ZINC001503217529 1071168225 /nfs/dbraw/zinc/16/82/25/1071168225.db2.gz POMXJNAKKFTRHM-UHFFFAOYSA-N 1 1 496.410 1.053 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Br)n2)CC1 ZINC001503215453 1071163495 /nfs/dbraw/zinc/16/34/95/1071163495.db2.gz FXTNJRHSGXIHKA-UHFFFAOYSA-N 1 1 480.411 1.781 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C[C@@H]1CC ZINC001503216167 1071164208 /nfs/dbraw/zinc/16/42/08/1071164208.db2.gz BAEQTECPKDPRRF-PCCBWWKXSA-N 1 1 468.668 1.728 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001503217996 1071169184 /nfs/dbraw/zinc/16/91/84/1071169184.db2.gz FKXSWOAMTUVWSJ-UHFFFAOYSA-N 1 1 494.687 1.482 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)C)C[C@H]1CC ZINC001503218287 1071169374 /nfs/dbraw/zinc/16/93/74/1071169374.db2.gz JHROXAQSEVPWNQ-GOSISDBHSA-N 1 1 458.563 1.699 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 ZINC001503218630 1071170514 /nfs/dbraw/zinc/17/05/14/1071170514.db2.gz FGKIARWYQCWHGT-HXUWFJFHSA-N 1 1 458.607 1.833 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CC ZINC001503220555 1071174521 /nfs/dbraw/zinc/17/45/21/1071174521.db2.gz LVTLVMDOQMNQBP-FGZHOGPDSA-N 1 1 497.644 1.916 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc4ccccc4o3)n2CCNS(C)(=O)=O)CC1 ZINC001503219549 1071172096 /nfs/dbraw/zinc/17/20/96/1071172096.db2.gz DBBBCCRNLDGGIQ-UHFFFAOYSA-N 1 1 462.576 1.399 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCNC(=O)C(C)C)CC1 ZINC001503219470 1071172485 /nfs/dbraw/zinc/17/24/85/1071172485.db2.gz DDOFNJJCCVLLAW-UHFFFAOYSA-N 1 1 482.589 1.525 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001504423468 1071177978 /nfs/dbraw/zinc/17/79/78/1071177978.db2.gz BJQMZMFVZPMYIL-HOYKHHGWSA-N 1 1 472.590 1.287 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001503221557 1071178105 /nfs/dbraw/zinc/17/81/05/1071178105.db2.gz CAERVJIZQISPDQ-XMMPIXPASA-N 1 1 456.591 1.514 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N(C)C)CC1 ZINC001504423852 1071179074 /nfs/dbraw/zinc/17/90/74/1071179074.db2.gz OOEYZIMXQCPEFW-UHFFFAOYSA-N 1 1 480.617 1.949 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001504423770 1071179332 /nfs/dbraw/zinc/17/93/32/1071179332.db2.gz NQOIBHHZKMIMDH-UHFFFAOYSA-N 1 1 466.590 1.961 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C[C@H]1CC ZINC001503221951 1071179478 /nfs/dbraw/zinc/17/94/78/1071179478.db2.gz DYUYISOILNVQQW-NJYVYQBISA-N 1 1 498.694 1.881 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2nnn(C)n2)CC1 ZINC001503221907 1071179509 /nfs/dbraw/zinc/17/95/09/1071179509.db2.gz XMCWYBJTEAYASH-UHFFFAOYSA-N 1 1 466.377 1.982 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc(-c2cnccn2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504421151 1071175242 /nfs/dbraw/zinc/17/52/42/1071175242.db2.gz SHIYUBOVJWJEFX-SFHVURJKSA-N 1 1 453.547 1.463 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc(-c2cnccn2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504421151 1071175250 /nfs/dbraw/zinc/17/52/50/1071175250.db2.gz SHIYUBOVJWJEFX-SFHVURJKSA-N 1 1 453.547 1.463 20 0 JDADMO COc1ccccc1CN(CCO)c1nnc([C@@H]2CCC(=O)N2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001504421394 1071175356 /nfs/dbraw/zinc/17/53/56/1071175356.db2.gz WZXXWELUWAFUAZ-QUCCMNQESA-N 1 1 456.591 1.969 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C[C@H]1CC ZINC001503221204 1071175757 /nfs/dbraw/zinc/17/57/57/1071175757.db2.gz QMPMYLRSGZEZNH-DSMAOHMUSA-N 1 1 466.652 1.468 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C[C@H]1CC ZINC001503221204 1071175766 /nfs/dbraw/zinc/17/57/66/1071175766.db2.gz QMPMYLRSGZEZNH-DSMAOHMUSA-N 1 1 466.652 1.468 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C[C@@H]1CC ZINC001503221208 1071176010 /nfs/dbraw/zinc/17/60/10/1071176010.db2.gz QMPMYLRSGZEZNH-IEDBIQLYSA-N 1 1 466.652 1.468 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C[C@@H]1CC ZINC001503221208 1071176020 /nfs/dbraw/zinc/17/60/20/1071176020.db2.gz QMPMYLRSGZEZNH-IEDBIQLYSA-N 1 1 466.652 1.468 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](F)COC)CC1 ZINC001503221214 1071177026 /nfs/dbraw/zinc/17/70/26/1071177026.db2.gz QNKDIWHBTSZEGK-QGZVFWFLSA-N 1 1 473.553 1.335 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)C2(OC)CCOCC2)CC1 ZINC001503221646 1071177805 /nfs/dbraw/zinc/17/78/05/1071177805.db2.gz UFCGEOCHBWSWDA-QGZVFWFLSA-N 1 1 486.564 1.219 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccc(C)cc2)CC1 ZINC001503222168 1071180831 /nfs/dbraw/zinc/18/08/31/1071180831.db2.gz XNARPLFKAGYWFE-UHFFFAOYSA-N 1 1 466.590 1.576 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 ZINC001503222126 1071181560 /nfs/dbraw/zinc/18/15/60/1071181560.db2.gz FYJNAFOQKCYEKQ-UHFFFAOYSA-N 1 1 463.586 1.830 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1CC ZINC001503222567 1071182070 /nfs/dbraw/zinc/18/20/70/1071182070.db2.gz IBLXKMWKYQUFLI-RDPSFJRHSA-N 1 1 472.638 1.555 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503222564 1071182428 /nfs/dbraw/zinc/18/24/28/1071182428.db2.gz IBLXKMWKYQUFLI-HYBUGGRVSA-N 1 1 472.638 1.555 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)C[C@H]1CC ZINC001503222570 1071182516 /nfs/dbraw/zinc/18/25/16/1071182516.db2.gz IBLXKMWKYQUFLI-YKSBVNFPSA-N 1 1 472.638 1.555 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCC(F)F)CC1 ZINC001503223387 1071185840 /nfs/dbraw/zinc/18/58/40/1071185840.db2.gz MAMHXMMTWIDXOR-GOSISDBHSA-N 1 1 480.516 1.330 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(N)=O)cc2)CC1 ZINC001503222554 1071182630 /nfs/dbraw/zinc/18/26/30/1071182630.db2.gz HYYQKSMCXYWZNG-UHFFFAOYSA-N 1 1 470.578 1.098 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(C(C)C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 ZINC001504424899 1071183314 /nfs/dbraw/zinc/18/33/14/1071183314.db2.gz WXXXFULKHIATLU-SFHVURJKSA-N 1 1 455.563 1.721 20 0 JDADMO COc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001504425931 1071184817 /nfs/dbraw/zinc/18/48/17/1071184817.db2.gz VZAKNLYSAPJIBG-VGSWGCGISA-N 1 1 478.619 1.246 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001503223556 1071187985 /nfs/dbraw/zinc/18/79/85/1071187985.db2.gz RPPLFXTYGJZQJL-UHFFFAOYSA-N 1 1 479.651 1.123 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCOCC2)C[C@H]1CC ZINC001503223564 1071188045 /nfs/dbraw/zinc/18/80/45/1071188045.db2.gz RTSZLPYJKKHTFT-OAQYLSRUSA-N 1 1 458.607 1.743 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001503224239 1071191688 /nfs/dbraw/zinc/19/16/88/1071191688.db2.gz SBOYRMXGYJNQPJ-UHFFFAOYSA-N 1 1 462.620 1.594 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223595 1071189258 /nfs/dbraw/zinc/18/92/58/1071189258.db2.gz NQLBPGNOXKQVNK-PKTZIBPZSA-N 1 1 491.681 1.273 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2COCCO2)C[C@@H]1CC ZINC001503223808 1071190003 /nfs/dbraw/zinc/19/00/03/1071190003.db2.gz SVGDQZRBQRZNBC-VQTJNVASSA-N 1 1 464.636 1.986 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001503224064 1071191207 /nfs/dbraw/zinc/19/12/07/1071191207.db2.gz QLGUXWIXUVLSAO-UHFFFAOYSA-N 1 1 463.586 1.878 20 0 JDADMO COc1ccccc1OCc1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCC[C@H](C)C1 ZINC001504431406 1071193011 /nfs/dbraw/zinc/19/30/11/1071193011.db2.gz XIQBQMTUMAUFOC-FQEVSTJZSA-N 1 1 486.617 1.893 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 ZINC001503225972 1071194372 /nfs/dbraw/zinc/19/43/72/1071194372.db2.gz QRFMHSSYERQHOA-CYFREDJKSA-N 1 1 494.637 1.660 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCC(=O)NC)CC1 ZINC001503225919 1071194796 /nfs/dbraw/zinc/19/47/96/1071194796.db2.gz PJXLGLYRXYKVKV-HDICACEKSA-N 1 1 479.626 1.343 20 0 JDADMO 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CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[N@H+]2CCCO)CC1 ZINC001503236252 1071221014 /nfs/dbraw/zinc/22/10/14/1071221014.db2.gz SLTIVYOYXBVQLA-IEBWSBKVSA-N 1 1 455.625 1.380 20 0 JDADMO COc1ccccc1SCc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC(=O)N(C)C ZINC001504451538 1071221574 /nfs/dbraw/zinc/22/15/74/1071221574.db2.gz PXCLZOGMIDPLOF-SFHVURJKSA-N 1 1 474.631 1.968 20 0 JDADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001503236974 1071223365 /nfs/dbraw/zinc/22/33/65/1071223365.db2.gz SVPIEVOOOXXEDD-QZTJIDSGSA-N 1 1 454.641 1.505 20 0 JDADMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001503236974 1071223382 /nfs/dbraw/zinc/22/33/82/1071223382.db2.gz SVPIEVOOOXXEDD-QZTJIDSGSA-N 1 1 454.641 1.505 20 0 JDADMO COc1ccccc1OCc1nnc(N2CCN(C(C)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001504454245 1071225891 /nfs/dbraw/zinc/22/58/91/1071225891.db2.gz JUHVDWXFVBUVIW-UHFFFAOYSA-N 1 1 472.590 1.645 20 0 JDADMO 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CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC[NH+]1CCCC1 ZINC001503247756 1071253778 /nfs/dbraw/zinc/25/37/78/1071253778.db2.gz UIAIOTPOBQEGEX-GOSISDBHSA-N 1 1 459.620 1.872 20 0 JDADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC[N@@H+]1C1CC1 ZINC001503247727 1071254131 /nfs/dbraw/zinc/25/41/31/1071254131.db2.gz SZKNZMAPXHMISU-PKOBYXMFSA-N 1 1 466.652 1.677 20 0 JDADMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCC[N@H+]1C1CC1 ZINC001503247727 1071254141 /nfs/dbraw/zinc/25/41/41/1071254141.db2.gz SZKNZMAPXHMISU-PKOBYXMFSA-N 1 1 466.652 1.677 20 0 JDADMO CO[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504481906 1071257524 /nfs/dbraw/zinc/25/75/24/1071257524.db2.gz ZJTROYPVYAVDPD-TYBLODHISA-N 1 1 492.665 1.877 20 0 JDADMO CO[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC001504481903 1071257824 /nfs/dbraw/zinc/25/78/24/1071257824.db2.gz ZJTROYPVYAVDPD-CZSZKKDXSA-N 1 1 492.665 1.877 20 0 JDADMO 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COC[C@H](Cn1c(-c2ccccc2F)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001504584063 1071411820 /nfs/dbraw/zinc/41/18/20/1071411820.db2.gz IDKNISVMGDBPKE-SFTDATJTSA-N 1 1 490.624 1.977 20 0 JDADMO CCS(=O)(=O)NCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001503278585 1071408140 /nfs/dbraw/zinc/40/81/40/1071408140.db2.gz ZGQRKNGSEZEJEL-IBGZPJMESA-N 1 1 464.640 1.144 20 0 JDADMO COC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1)OC ZINC001504582685 1071409017 /nfs/dbraw/zinc/40/90/17/1071409017.db2.gz PSEPOKWYIJXWFQ-SFHVURJKSA-N 1 1 461.563 1.882 20 0 JDADMO COC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1)OC ZINC001504582685 1071409029 /nfs/dbraw/zinc/40/90/29/1071409029.db2.gz PSEPOKWYIJXWFQ-SFHVURJKSA-N 1 1 461.563 1.882 20 0 JDADMO COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](CC(=O)N2CCCC2)CC1)OC ZINC001504585801 1071416134 /nfs/dbraw/zinc/41/61/34/1071416134.db2.gz VCQLAROWJALEPU-HXUWFJFHSA-N 1 1 457.579 1.136 20 0 JDADMO COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1)OC ZINC001504585801 1071416142 /nfs/dbraw/zinc/41/61/42/1071416142.db2.gz VCQLAROWJALEPU-HXUWFJFHSA-N 1 1 457.579 1.136 20 0 JDADMO CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[NH+](Cc2cccs2)CC1 ZINC001503280079 1071418347 /nfs/dbraw/zinc/41/83/47/1071418347.db2.gz ORBROPPIFFFWSX-QGZVFWFLSA-N 1 1 468.649 1.495 20 0 JDADMO COC[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1)OC ZINC001504588499 1071426057 /nfs/dbraw/zinc/42/60/57/1071426057.db2.gz IVYAGGHQQPMQBX-YADHBBJMSA-N 1 1 487.649 1.541 20 0 JDADMO COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)OC ZINC001504588827 1071426934 /nfs/dbraw/zinc/42/69/34/1071426934.db2.gz JNJVLTPDSQYCSW-MCNSAMFCSA-N 1 1 474.610 1.143 20 0 JDADMO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001503282267 1071437041 /nfs/dbraw/zinc/43/70/41/1071437041.db2.gz PFKXXCNXNRTZQM-RDJZCZTQSA-N 1 1 481.648 1.113 20 0 JDADMO COC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1)OC ZINC001504592084 1071434894 /nfs/dbraw/zinc/43/48/94/1071434894.db2.gz BRYDREZYBIQILH-OTWHNJEPSA-N 1 1 480.610 1.532 20 0 JDADMO COC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1)OC ZINC001504592084 1071434896 /nfs/dbraw/zinc/43/48/96/1071434896.db2.gz BRYDREZYBIQILH-OTWHNJEPSA-N 1 1 480.610 1.532 20 0 JDADMO COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]21 ZINC001504596613 1071444317 /nfs/dbraw/zinc/44/43/17/1071444317.db2.gz SXYVEOWMRYTQLS-HKJQZYRSSA-N 1 1 480.610 1.931 20 0 JDADMO COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]21 ZINC001504596613 1071444322 /nfs/dbraw/zinc/44/43/22/1071444322.db2.gz SXYVEOWMRYTQLS-HKJQZYRSSA-N 1 1 480.610 1.931 20 0 JDADMO CCS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001503284039 1071451239 /nfs/dbraw/zinc/45/12/39/1071451239.db2.gz KSMYTGGOUSPSJF-JOCHJYFZSA-N 1 1 497.065 1.763 20 0 JDADMO CCS(=O)(=O)NCCn1c(CC(C)(C)C)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001503284185 1071452140 /nfs/dbraw/zinc/45/21/40/1071452140.db2.gz FMHKGFQXZHTZMN-UHFFFAOYSA-N 1 1 483.727 1.801 20 0 JDADMO CCS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)([NH+]2CCOCC2)C1 ZINC001503284041 1071452483 /nfs/dbraw/zinc/45/24/83/1071452483.db2.gz KSMYTGGOUSPSJF-QFIPXVFZSA-N 1 1 497.065 1.763 20 0 JDADMO CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC001503284681 1071458801 /nfs/dbraw/zinc/45/88/01/1071458801.db2.gz XAFUULYLYFYMMA-FUHWJXTLSA-N 1 1 468.649 1.027 20 0 JDADMO CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC001503284668 1071458820 /nfs/dbraw/zinc/45/88/20/1071458820.db2.gz WVNGURVBBXKCEX-UHFFFAOYSA-N 1 1 452.600 1.868 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504605574 1071459031 /nfs/dbraw/zinc/45/90/31/1071459031.db2.gz QAWFXCMZGVVZIG-GUDVDZBRSA-N 1 1 482.601 1.898 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504605574 1071459049 /nfs/dbraw/zinc/45/90/49/1071459049.db2.gz QAWFXCMZGVVZIG-GUDVDZBRSA-N 1 1 482.601 1.898 20 0 JDADMO COC[C@@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001504608153 1071463778 /nfs/dbraw/zinc/46/37/78/1071463778.db2.gz JNPZPXQXBCLHBV-BZSNNMDCSA-N 1 1 468.574 1.855 20 0 JDADMO COC[C@@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001504608153 1071463787 /nfs/dbraw/zinc/46/37/87/1071463787.db2.gz JNPZPXQXBCLHBV-BZSNNMDCSA-N 1 1 468.574 1.855 20 0 JDADMO CCS(=O)(=O)NCCn1c([C@H]2CCOC2)nnc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001503284874 1071462470 /nfs/dbraw/zinc/46/24/70/1071462470.db2.gz MXIFWKIMEXVZMM-FQEVSTJZSA-N 1 1 462.620 1.434 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001504608157 1071463853 /nfs/dbraw/zinc/46/38/53/1071463853.db2.gz JNPZPXQXBCLHBV-KURKYZTESA-N 1 1 468.574 1.855 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001504608157 1071463862 /nfs/dbraw/zinc/46/38/62/1071463862.db2.gz JNPZPXQXBCLHBV-KURKYZTESA-N 1 1 468.574 1.855 20 0 JDADMO COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001504608625 1071465914 /nfs/dbraw/zinc/46/59/14/1071465914.db2.gz MJMBECQKJMYQJF-UNMCSNQZSA-N 1 1 488.608 1.799 20 0 JDADMO CC[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001503285285 1071466518 /nfs/dbraw/zinc/46/65/18/1071466518.db2.gz GZVAWCYSYGVOIS-CGKQSPDFSA-N 1 1 458.632 1.993 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504609998 1071468290 /nfs/dbraw/zinc/46/82/90/1071468290.db2.gz PHBGYMCTVROLKE-AFYVEPGGSA-N 1 1 452.575 1.145 20 0 JDADMO COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001504613235 1071472859 /nfs/dbraw/zinc/47/28/59/1071472859.db2.gz VBRHEDVGWSHXID-NJYVYQBISA-N 1 1 468.618 1.388 20 0 JDADMO COCC1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001504615126 1071476767 /nfs/dbraw/zinc/47/67/67/1071476767.db2.gz UCVGHPHBZVOZBZ-SJORKVTESA-N 1 1 465.624 1.600 20 0 JDADMO CCS(=O)(=O)NCCn1c(COc2cccc(C)c2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001503286858 1071476718 /nfs/dbraw/zinc/47/67/18/1071476718.db2.gz KGSMULLICNAWEW-LJQANCHMSA-N 1 1 462.620 1.779 20 0 JDADMO CCS(=O)(=O)NCCn1c(CC2CCCC2)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001503286893 1071477709 /nfs/dbraw/zinc/47/77/09/1071477709.db2.gz LINAUIBFDKPUQV-IBGZPJMESA-N 1 1 454.641 1.251 20 0 JDADMO COCC1(C)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001504617566 1071478308 /nfs/dbraw/zinc/47/83/08/1071478308.db2.gz AMNINJUJRRTIAR-RBUKOAKNSA-N 1 1 475.638 1.425 20 0 JDADMO CCS(=O)(=O)NCCn1c(COc2ccc(F)cc2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001503287741 1071482198 /nfs/dbraw/zinc/48/21/98/1071482198.db2.gz YZZIULCETXMPRS-GOSISDBHSA-N 1 1 466.583 1.610 20 0 JDADMO COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)CCC1 ZINC001504627418 1071486550 /nfs/dbraw/zinc/48/65/50/1071486550.db2.gz JEQIJLKKTKTECV-PXNSSMCTSA-N 1 1 470.640 1.006 20 0 JDADMO COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)CCC1 ZINC001504627420 1071486563 /nfs/dbraw/zinc/48/65/63/1071486563.db2.gz JEQIJLKKTKTECV-YLJYHZDGSA-N 1 1 470.640 1.006 20 0 JDADMO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2ccccc2C)CC1 ZINC001503291968 1071496526 /nfs/dbraw/zinc/49/65/26/1071496526.db2.gz VJWOBEHDFHAJCU-DRKIFQHWSA-N 1 1 482.676 1.288 20 0 JDADMO COCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC001504638545 1071500200 /nfs/dbraw/zinc/50/02/00/1071500200.db2.gz MJJZZHZAGASGLJ-NRFANRHFSA-N 1 1 483.617 1.354 20 0 JDADMO COCC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001504644786 1071507267 /nfs/dbraw/zinc/50/72/67/1071507267.db2.gz QTCRSMPAZMZHRB-KRWDZBQOSA-N 1 1 454.641 1.936 20 0 JDADMO CC[S@](=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC001503295686 1071508087 /nfs/dbraw/zinc/50/80/87/1071508087.db2.gz VKGRYPWZGXMASB-WEZXKFLESA-N 1 1 457.604 1.303 20 0 JDADMO CC[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001503296400 1071509839 /nfs/dbraw/zinc/50/98/39/1071509839.db2.gz NIDCRODACQVNDD-IQVDJAOASA-N 1 1 480.038 1.505 20 0 JDADMO CC[S@](=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001503297522 1071512698 /nfs/dbraw/zinc/51/26/98/1071512698.db2.gz HMTLOLXJAFFAIE-QJWGWKRISA-N 1 1 452.669 1.545 20 0 JDADMO COC[C@@H]1CCCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC001504664853 1071526547 /nfs/dbraw/zinc/52/65/47/1071526547.db2.gz MXDXAZBUDQSBKN-XUVXKRRUSA-N 1 1 486.683 1.642 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001504665315 1071527228 /nfs/dbraw/zinc/52/72/28/1071527228.db2.gz PFSRWCCBOIZAIM-OALUTQOASA-N 1 1 485.699 1.167 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCN(C)C(C)(C)C2)C1 ZINC001504665315 1071527240 /nfs/dbraw/zinc/52/72/40/1071527240.db2.gz PFSRWCCBOIZAIM-OALUTQOASA-N 1 1 485.699 1.167 20 0 JDADMO COC[C@H]1CCCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCN(C)C(C)(C)C2)C1 ZINC001504665315 1071527250 /nfs/dbraw/zinc/52/72/50/1071527250.db2.gz PFSRWCCBOIZAIM-OALUTQOASA-N 1 1 485.699 1.167 20 0 JDADMO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001504690731 1071546792 /nfs/dbraw/zinc/54/67/92/1071546792.db2.gz VWMVPCCCZXSZQX-IEBWSBKVSA-N 1 1 456.657 1.872 20 0 JDADMO COC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC001504687290 1071542859 /nfs/dbraw/zinc/54/28/59/1071542859.db2.gz XKTPBCYPFOADAC-HSALFYBXSA-N 1 1 469.652 1.280 20 0 JDADMO COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001504698832 1071549720 /nfs/dbraw/zinc/54/97/20/1071549720.db2.gz ARUGVRGTTUEIRL-RTBURBONSA-N 1 1 484.667 1.206 20 0 JDADMO COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CCO1 ZINC001504707313 1071556282 /nfs/dbraw/zinc/55/62/82/1071556282.db2.gz BRGVPSOABXUCSW-FHWLQOOXSA-N 1 1 464.611 1.254 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)CC1 ZINC001503357206 1071557881 /nfs/dbraw/zinc/55/78/81/1071557881.db2.gz HDUXCZMPXMEDDC-LJQANCHMSA-N 1 1 473.647 1.575 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001503357162 1071558172 /nfs/dbraw/zinc/55/81/72/1071558172.db2.gz GFWDEZMRHHSTRD-DLBZAZTESA-N 1 1 454.641 1.142 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C ZINC001503357162 1071558190 /nfs/dbraw/zinc/55/81/90/1071558190.db2.gz GFWDEZMRHHSTRD-DLBZAZTESA-N 1 1 454.641 1.142 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001503357669 1071560000 /nfs/dbraw/zinc/56/00/00/1071560000.db2.gz AEWDUOFHFSRTGO-WOJBJXKFSA-N 1 1 475.638 1.207 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCC2(CNC(=O)C2)CC1 ZINC001503357873 1071562116 /nfs/dbraw/zinc/56/21/16/1071562116.db2.gz BLUZGAFVYYMEAB-IBGZPJMESA-N 1 1 473.666 1.916 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccn1 ZINC001503357925 1071562151 /nfs/dbraw/zinc/56/21/51/1071562151.db2.gz PPFHJHMVDXNKCC-FQEVSTJZSA-N 1 1 468.606 1.375 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001503357976 1071562450 /nfs/dbraw/zinc/56/24/50/1071562450.db2.gz CGEMESCXAQKDHE-TZIWHRDSSA-N 1 1 482.633 1.298 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](C)O1 ZINC001504710023 1071563282 /nfs/dbraw/zinc/56/32/82/1071563282.db2.gz GSNZYDIBCNEREG-JWHRZUGUSA-N 1 1 463.554 1.864 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001503358255 1071565658 /nfs/dbraw/zinc/56/56/58/1071565658.db2.gz DYSQUBZWQFKFCW-IRXDYDNUSA-N 1 1 484.527 1.389 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001503358783 1071568226 /nfs/dbraw/zinc/56/82/26/1071568226.db2.gz LJNJLLLXNPPWKE-HXUWFJFHSA-N 1 1 494.706 1.997 20 0 JDADMO CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001503358783 1071568237 /nfs/dbraw/zinc/56/82/37/1071568237.db2.gz LJNJLLLXNPPWKE-HXUWFJFHSA-N 1 1 494.706 1.997 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 ZINC001503359585 1071569711 /nfs/dbraw/zinc/56/97/11/1071569711.db2.gz MGEYIQPEDUPKEM-OALUTQOASA-N 1 1 484.605 1.341 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(F)(F)F ZINC001503359433 1071569891 /nfs/dbraw/zinc/56/98/91/1071569891.db2.gz LXUPWTNBLLFNOJ-OAHLLOKOSA-N 1 1 485.511 1.947 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CCCc2ccccc2)nnc1N1CCNC(=O)CC1 ZINC001503358318 1071565345 /nfs/dbraw/zinc/56/53/45/1071565345.db2.gz UGKYAKPUAGMFCF-JOCHJYFZSA-N 1 1 481.645 1.722 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2cccnc2)nnc1N(C)CCc1cnccn1 ZINC001503359890 1071572123 /nfs/dbraw/zinc/57/21/23/1071572123.db2.gz OHDAYJWSAZYUBK-OAQYLSRUSA-N 1 1 463.590 1.752 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001503360198 1071572962 /nfs/dbraw/zinc/57/29/62/1071572962.db2.gz PEPQWLNJMHTIIL-SJORKVTESA-N 1 1 474.997 1.248 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCO1 ZINC001504713746 1071574058 /nfs/dbraw/zinc/57/40/58/1071574058.db2.gz MHTYPGFDUOMHLI-DPLHUUCSSA-N 1 1 481.638 1.527 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 ZINC001503360781 1071574088 /nfs/dbraw/zinc/57/40/88/1071574088.db2.gz RSPISSGEQJNQJD-MJGOQNOKSA-N 1 1 494.687 1.821 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 ZINC001503360781 1071574098 /nfs/dbraw/zinc/57/40/98/1071574098.db2.gz RSPISSGEQJNQJD-MJGOQNOKSA-N 1 1 494.687 1.821 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001503360805 1071574665 /nfs/dbraw/zinc/57/46/65/1071574665.db2.gz SMUNAHMOKVBZEK-APWZRJJASA-N 1 1 474.009 1.853 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001503360808 1071574759 /nfs/dbraw/zinc/57/47/59/1071574759.db2.gz SMUNAHMOKVBZEK-VQIMIIECSA-N 1 1 474.009 1.853 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001503359609 1071570734 /nfs/dbraw/zinc/57/07/34/1071570734.db2.gz MJAQOQOQIPVXKU-UXHICEINSA-N 1 1 474.631 1.511 20 0 JDADMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(-c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001503359609 1071570742 /nfs/dbraw/zinc/57/07/42/1071570742.db2.gz MJAQOQOQIPVXKU-UXHICEINSA-N 1 1 474.631 1.511 20 0 JDADMO COC[C@@H]1CN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001504714595 1071576567 /nfs/dbraw/zinc/57/65/67/1071576567.db2.gz RDBGBRHGPIYMQE-NRFANRHFSA-N 1 1 475.590 1.925 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC001504716047 1071579349 /nfs/dbraw/zinc/57/93/49/1071579349.db2.gz UMKCDIHIVQHTEN-VSZNYVQBSA-N 1 1 472.656 1.249 20 0 JDADMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccn2)CC1 ZINC001503361927 1071579540 /nfs/dbraw/zinc/57/95/40/1071579540.db2.gz ZRZSMKLCTSXFTQ-HXUWFJFHSA-N 1 1 483.665 1.926 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC001504717110 1071581371 /nfs/dbraw/zinc/58/13/71/1071581371.db2.gz WRHXOIURXVZGKJ-VMXHOPILSA-N 1 1 472.656 1.249 20 0 JDADMO COC[C@@H]1CN(c2nnc(-c3cccn3C)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCO1 ZINC001504718246 1071582232 /nfs/dbraw/zinc/58/22/32/1071582232.db2.gz FDBDPGTWOBQBSN-ICSRJNTNSA-N 1 1 459.595 1.078 20 0 JDADMO COC[C@@H]1CN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC[N@@H+](C)C(C)C)C[C@@H](C)O1 ZINC001504724471 1071590715 /nfs/dbraw/zinc/59/07/15/1071590715.db2.gz KGONJVZUASAYQJ-MSOLQXFVSA-N 1 1 469.590 1.772 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCO1 ZINC001504725072 1071591524 /nfs/dbraw/zinc/59/15/24/1071591524.db2.gz AUSOCEADPOYJRY-NNWRFLSQSA-N 1 1 491.658 1.942 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC001504725172 1071591553 /nfs/dbraw/zinc/59/15/53/1071591553.db2.gz KEINSYPHQPTCNZ-TUFLPTIASA-N 1 1 478.638 1.703 20 0 JDADMO CN(C)C(=O)CCn1c(C2CCC2)nnc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC001503368073 1071596283 /nfs/dbraw/zinc/59/62/83/1071596283.db2.gz NNBMMWKKZVHIFH-HXUWFJFHSA-N 1 1 456.591 1.586 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001504727700 1071596544 /nfs/dbraw/zinc/59/65/44/1071596544.db2.gz KECGMUPREUFQSW-JSXRDJHFSA-N 1 1 451.612 1.769 20 0 JDADMO COC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[N@H+]2CCCO)CCO1 ZINC001504729409 1071598706 /nfs/dbraw/zinc/59/87/06/1071598706.db2.gz IJHWLZXMMAYOTG-RTBURBONSA-N 1 1 450.609 1.332 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CCCC(C)(C)C2)CCO1 ZINC001504732417 1071603460 /nfs/dbraw/zinc/60/34/60/1071603460.db2.gz XVALBKKZOIPFAG-MSOLQXFVSA-N 1 1 455.625 1.154 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC001504732417 1071603463 /nfs/dbraw/zinc/60/34/63/1071603463.db2.gz XVALBKKZOIPFAG-MSOLQXFVSA-N 1 1 455.625 1.154 20 0 JDADMO CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001503370028 1071600838 /nfs/dbraw/zinc/60/08/38/1071600838.db2.gz SXAZKPCNVAAUNJ-UHFFFAOYSA-N 1 1 461.567 1.031 20 0 JDADMO CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001503370028 1071600844 /nfs/dbraw/zinc/60/08/44/1071600844.db2.gz SXAZKPCNVAAUNJ-UHFFFAOYSA-N 1 1 461.567 1.031 20 0 JDADMO COC[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001504733998 1071607216 /nfs/dbraw/zinc/60/72/16/1071607216.db2.gz HZJBYHZHJOUSNU-OAQYLSRUSA-N 1 1 459.591 1.862 20 0 JDADMO CN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC001503372280 1071607253 /nfs/dbraw/zinc/60/72/53/1071607253.db2.gz QXHZUNUAYJBLDX-UHFFFAOYSA-N 1 1 457.970 1.528 20 0 JDADMO COC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC001504732681 1071604188 /nfs/dbraw/zinc/60/41/88/1071604188.db2.gz YWPNDOABUYMAPG-AABGKKOBSA-N 1 1 463.604 1.335 20 0 JDADMO COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](COC)O[C@@H](C)C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001504738315 1071615622 /nfs/dbraw/zinc/61/56/22/1071615622.db2.gz DPKHPRQMEGXTGF-BURNTYAHSA-N 1 1 480.654 1.268 20 0 JDADMO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001503377130 1071626691 /nfs/dbraw/zinc/62/66/91/1071626691.db2.gz LYNATGOMCZQYQP-UHFFFAOYSA-N 1 1 468.650 1.181 20 0 JDADMO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001503377130 1071626698 /nfs/dbraw/zinc/62/66/98/1071626698.db2.gz LYNATGOMCZQYQP-UHFFFAOYSA-N 1 1 468.650 1.181 20 0 JDADMO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001503377130 1071626710 /nfs/dbraw/zinc/62/67/10/1071626710.db2.gz LYNATGOMCZQYQP-UHFFFAOYSA-N 1 1 468.650 1.181 20 0 JDADMO CN(C)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001503377363 1071628833 /nfs/dbraw/zinc/62/88/33/1071628833.db2.gz NOYXBVQDIXIBQN-UHFFFAOYSA-N 1 1 483.661 1.666 20 0 JDADMO CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC001503377515 1071629482 /nfs/dbraw/zinc/62/94/82/1071629482.db2.gz UJDPHBBFQZEXIF-JOCHJYFZSA-N 1 1 469.634 1.392 20 0 JDADMO COCC[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001504749342 1071630149 /nfs/dbraw/zinc/63/01/49/1071630149.db2.gz ALTUXQXFPOXGMF-ZHRMCQFGSA-N 1 1 471.606 1.116 20 0 JDADMO C[NH+](C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccc(F)cc1 ZINC001503382513 1071638215 /nfs/dbraw/zinc/63/82/15/1071638215.db2.gz QVGOXQCDXULEDU-MJGOQNOKSA-N 1 1 459.551 1.800 20 0 JDADMO 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JDADMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC(=O)N3CC[NH+](C)CC3)ccc2C)c1 ZINC001464889289 1067686505 /nfs/dbraw/zinc/68/65/05/1067686505.db2.gz BWQRQVKWWBLCJO-UHFFFAOYSA-N 1 1 458.584 1.998 20 0 JDADMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2sc(N3CCOCC3)nc2-c2ccccc2)CC1 ZINC001464890676 1067687145 /nfs/dbraw/zinc/68/71/45/1067687145.db2.gz FGYJQACZQMURHY-UHFFFAOYSA-N 1 1 457.600 1.470 20 0 JDADMO CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCC(=O)N3CC[NH+](C)CC3)cc(C(C)C)nc21 ZINC001464895221 1067689356 /nfs/dbraw/zinc/68/93/56/1067689356.db2.gz PVJYBPVZUFRHJX-UHFFFAOYSA-N 1 1 458.563 1.170 20 0 JDADMO CC[C@@H](Sc1nc(CC(=O)N2CCC[N@H+](CC(=O)N(CC)CC)CC2)cs1)C(N)=O ZINC001464896342 1067689372 /nfs/dbraw/zinc/68/93/72/1067689372.db2.gz SZOGBYVMQBRSPH-MRXNPFEDSA-N 1 1 455.650 1.444 20 0 JDADMO CC[C@@H](Sc1nc(CC(=O)N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)cs1)C(N)=O ZINC001464896342 1067689377 /nfs/dbraw/zinc/68/93/77/1067689377.db2.gz SZOGBYVMQBRSPH-MRXNPFEDSA-N 1 1 455.650 1.444 20 0 JDADMO Cn1c(=O)c2ccc(C(=O)N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)cc2[nH]c1=S ZINC001464895423 1067689424 /nfs/dbraw/zinc/68/94/24/1067689424.db2.gz QHHCQWJJMVXFNH-UHFFFAOYSA-N 1 1 457.600 1.677 20 0 JDADMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001464899802 1067690646 /nfs/dbraw/zinc/69/06/46/1067690646.db2.gz IQILLKBDWTXUBD-UHFFFAOYSA-N 1 1 454.593 1.530 20 0 JDADMO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001464903072 1067693069 /nfs/dbraw/zinc/69/30/69/1067693069.db2.gz WFUPENUDUYNCAN-VQTJNVASSA-N 1 1 452.577 1.472 20 0 JDADMO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC001464903074 1067693838 /nfs/dbraw/zinc/69/38/38/1067693838.db2.gz WFUPENUDUYNCAN-WOJBJXKFSA-N 1 1 452.577 1.472 20 0 JDADMO CCN(CC)c1ccc2cc(C(=O)N3CCN(C(=O)N4CC[NH+](C)CC4)CC3)c(=O)oc2c1 ZINC001464904945 1067694621 /nfs/dbraw/zinc/69/46/21/1067694621.db2.gz AGKYJZKBTWPMOP-UHFFFAOYSA-N 1 1 455.559 1.764 20 0 JDADMO CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001464906724 1067696116 /nfs/dbraw/zinc/69/61/16/1067696116.db2.gz KGKKNIXWXASQRQ-UHFFFAOYSA-N 1 1 455.577 1.574 20 0 JDADMO C[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)CC1 ZINC001464910031 1067699717 /nfs/dbraw/zinc/69/97/17/1067699717.db2.gz UIWBRXADPSMALN-HXUWFJFHSA-N 1 1 459.591 1.634 20 0 JDADMO C[N@@H+](CCN1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1)Cc1ccccc1 ZINC001464938542 1067706967 /nfs/dbraw/zinc/70/69/67/1067706967.db2.gz PDYUANIGBHHBMC-YADHBBJMSA-N 1 1 454.596 1.967 20 0 JDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)N[C@H]2C[C@H](OC)C2)c1 ZINC001464942956 1067708000 /nfs/dbraw/zinc/70/80/00/1067708000.db2.gz BFHIXLKNAWXQTQ-QAQDUYKDSA-N 1 1 453.609 1.768 20 0 JDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)N(C)CCCCO)c1 ZINC001464944207 1067708596 /nfs/dbraw/zinc/70/85/96/1067708596.db2.gz KSEXWVKLRZNWOQ-UHFFFAOYSA-N 1 1 455.625 1.705 20 0 JDADMO C[C@H](C(=O)N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C ZINC001464952663 1067711384 /nfs/dbraw/zinc/71/13/84/1067711384.db2.gz CUTCWMAGNNOCCH-PKOBYXMFSA-N 1 1 454.612 1.253 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]34CN(C(=O)OC(C)(C)C)C[C@@H]3CCO4)CC2)CC1 ZINC001464955586 1067712289 /nfs/dbraw/zinc/71/22/89/1067712289.db2.gz LQKTVHZAGDOGCW-YADARESESA-N 1 1 464.607 1.415 20 0 JDADMO CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC001464957542 1067712911 /nfs/dbraw/zinc/71/29/11/1067712911.db2.gz UTRQZXIIOWDEGV-KRWDZBQOSA-N 1 1 454.593 1.790 20 0 JDADMO CC1(C)CCC[N@H+]1CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC001464958077 1067713354 /nfs/dbraw/zinc/71/33/54/1067713354.db2.gz JIHAHIRYEYQYDD-MRXNPFEDSA-N 1 1 458.606 1.148 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(C)C[C@H](O)CN3C(=O)OC(C)(C)C)CC2)CC1 ZINC001464958514 1067714033 /nfs/dbraw/zinc/71/40/33/1067714033.db2.gz UERUEBSKIKJDJL-MBSDFSHPSA-N 1 1 452.596 1.150 20 0 JDADMO NC(=O)[C@@H]1CC(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)=NN1c1ccccc1 ZINC001464958902 1067714117 /nfs/dbraw/zinc/71/41/17/1067714117.db2.gz BPZHXMZIZFEOEK-QFIPXVFZSA-N 1 1 450.543 1.253 20 0 JDADMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 ZINC001464964418 1067715918 /nfs/dbraw/zinc/71/59/18/1067715918.db2.gz MWCSKZJBSZBJMQ-GOSISDBHSA-N 1 1 451.593 1.858 20 0 JDADMO C[N@H+]1CCC[C@H](NC(=O)c2cc(Br)cn(CCNC(=O)OC(C)(C)C)c2=O)C1 ZINC001464982086 1067719552 /nfs/dbraw/zinc/71/95/52/1067719552.db2.gz SLAABPJUYMBVAN-AWEZNQCLSA-N 1 1 457.369 1.960 20 0 JDADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001464994552 1067722274 /nfs/dbraw/zinc/72/22/74/1067722274.db2.gz SXDPDWCSRZMKRK-IRXDYDNUSA-N 1 1 454.593 1.789 20 0 JDADMO COc1ccc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001464994544 1067722341 /nfs/dbraw/zinc/72/23/41/1067722341.db2.gz SXDPDWCSRZMKRK-IAGOWNOFSA-N 1 1 454.593 1.789 20 0 JDADMO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001465000073 1067724308 /nfs/dbraw/zinc/72/43/08/1067724308.db2.gz BBTDCPISVKUKSF-APWZRJJASA-N 1 1 455.625 1.872 20 0 JDADMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)s1 ZINC001465000396 1067724847 /nfs/dbraw/zinc/72/48/47/1067724847.db2.gz FCVFMRIKVUHIPR-QZTJIDSGSA-N 1 1 454.662 1.742 20 0 JDADMO Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)s1 ZINC001465000396 1067724854 /nfs/dbraw/zinc/72/48/54/1067724854.db2.gz FCVFMRIKVUHIPR-QZTJIDSGSA-N 1 1 454.662 1.742 20 0 JDADMO Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1 ZINC001465002556 1067725428 /nfs/dbraw/zinc/72/54/28/1067725428.db2.gz XRJYTQGWPLYEAK-FQEVSTJZSA-N 1 1 458.584 1.287 20 0 JDADMO CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001465003788 1067725855 /nfs/dbraw/zinc/72/58/55/1067725855.db2.gz RXGNCCKMIYVQHG-KRWDZBQOSA-N 1 1 452.577 1.808 20 0 JDADMO CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)NCC(=O)N1CC[NH+](C)CC1 ZINC001465004698 1067726327 /nfs/dbraw/zinc/72/63/27/1067726327.db2.gz VELIEHWQNKDFGW-UHFFFAOYSA-N 1 1 455.581 1.011 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cc(C(C)C)nc21 ZINC001465005008 1067726539 /nfs/dbraw/zinc/72/65/39/1067726539.db2.gz SNTJEJOTLLUFHN-MRXNPFEDSA-N 1 1 456.591 1.929 20 0 JDADMO CCCn1c(=O)[nH]c(=O)c2c(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)cc(C(C)C)nc21 ZINC001465005008 1067726554 /nfs/dbraw/zinc/72/65/54/1067726554.db2.gz SNTJEJOTLLUFHN-MRXNPFEDSA-N 1 1 456.591 1.929 20 0 JDADMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC001465015112 1067728057 /nfs/dbraw/zinc/72/80/57/1067728057.db2.gz VHURQZRIUFPLLI-FQEVSTJZSA-N 1 1 450.605 1.534 20 0 JDADMO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC001465024095 1067729754 /nfs/dbraw/zinc/72/97/54/1067729754.db2.gz XGTTXJWGUXSDSP-RTBURBONSA-N 1 1 451.637 1.607 20 0 JDADMO CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC001465024095 1067729763 /nfs/dbraw/zinc/72/97/63/1067729763.db2.gz XGTTXJWGUXSDSP-RTBURBONSA-N 1 1 451.637 1.607 20 0 JDADMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 ZINC001465079946 1067740388 /nfs/dbraw/zinc/74/03/88/1067740388.db2.gz LOQFGFIHTZVLDP-GFCCVEGCSA-N 1 1 456.366 1.655 20 0 JDADMO Cc1c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc(Br)cc1S(N)(=O)=O ZINC001465134872 1067748340 /nfs/dbraw/zinc/74/83/40/1067748340.db2.gz HLXDHJOGLCCAJJ-HNNXBMFYSA-N 1 1 459.410 1.257 20 0 JDADMO COc1ccc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001465135183 1067748984 /nfs/dbraw/zinc/74/89/84/1067748984.db2.gz RPLNTBDAYMOIIW-LJQANCHMSA-N 1 1 450.605 1.332 20 0 JDADMO COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1=O ZINC001465135174 1067749046 /nfs/dbraw/zinc/74/90/46/1067749046.db2.gz RMMQDHQCAPJRNK-MHECFPHRSA-N 1 1 457.575 1.009 20 0 JDADMO COc1ccc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC001465135182 1067749342 /nfs/dbraw/zinc/74/93/42/1067749342.db2.gz RPLNTBDAYMOIIW-IBGZPJMESA-N 1 1 450.605 1.332 20 0 JDADMO CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC001465154000 1067754877 /nfs/dbraw/zinc/75/48/77/1067754877.db2.gz JFGNRPFQNNDRAV-DLBZAZTESA-N 1 1 451.593 1.210 20 0 JDADMO CCS(=O)(=O)N1CCC(C(=O)N(C)CCC[NH+]2CCN(C)CC2)(c2ccccc2)CC1 ZINC001465203426 1067759851 /nfs/dbraw/zinc/75/98/51/1067759851.db2.gz PTPOXZNWFKJSGA-UHFFFAOYSA-N 1 1 450.649 1.466 20 0 JDADMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001465207978 1067761149 /nfs/dbraw/zinc/76/11/49/1067761149.db2.gz URGNMAFHYRBEKJ-APWZRJJASA-N 1 1 453.609 1.626 20 0 JDADMO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001465211884 1067761429 /nfs/dbraw/zinc/76/14/29/1067761429.db2.gz XQRXJOROYUKTMB-GOSISDBHSA-N 1 1 459.568 1.875 20 0 JDADMO 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CC(C)[N@@H+](C)CCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001509515947 1073659122 /nfs/dbraw/zinc/65/91/22/1073659122.db2.gz GDBPNPFSMFWAQJ-UHFFFAOYSA-N 1 1 476.607 1.644 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC001509515698 1073659398 /nfs/dbraw/zinc/65/93/98/1073659398.db2.gz DIZDJNDBPQQPED-OAQYLSRUSA-N 1 1 485.681 1.932 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC001509517491 1073660075 /nfs/dbraw/zinc/66/00/75/1073660075.db2.gz DUSHCWMYZMJCNN-UHFFFAOYSA-N 1 1 477.617 1.815 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001509516194 1073660216 /nfs/dbraw/zinc/66/02/16/1073660216.db2.gz ZOSAJJUOLOYDQR-OAHLLOKOSA-N 1 1 463.524 1.982 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001509518194 1073661186 /nfs/dbraw/zinc/66/11/86/1073661186.db2.gz DAFHSHFNMHYJBA-QFIPXVFZSA-N 1 1 477.635 1.237 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001509517939 1073661243 /nfs/dbraw/zinc/66/12/43/1073661243.db2.gz WZZKCWRLFRVSMR-UHFFFAOYSA-N 1 1 471.606 1.614 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001509518359 1073662145 /nfs/dbraw/zinc/66/21/45/1073662145.db2.gz LQIUOAZWPMEVNZ-IAGOWNOFSA-N 1 1 468.649 1.945 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001509518361 1073662248 /nfs/dbraw/zinc/66/22/48/1073662248.db2.gz LQIUOAZWPMEVNZ-IRXDYDNUSA-N 1 1 468.649 1.945 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001509518363 1073662340 /nfs/dbraw/zinc/66/23/40/1073662340.db2.gz LQIUOAZWPMEVNZ-SJORKVTESA-N 1 1 468.649 1.945 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001509519086 1073663007 /nfs/dbraw/zinc/66/30/07/1073663007.db2.gz QFWJDYSCYRPSRY-SFHVURJKSA-N 1 1 470.578 1.093 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001509519085 1073663105 /nfs/dbraw/zinc/66/31/05/1073663105.db2.gz QFWJDYSCYRPSRY-GOSISDBHSA-N 1 1 470.578 1.093 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 ZINC001509519312 1073663268 /nfs/dbraw/zinc/66/32/68/1073663268.db2.gz SQITXUHBWUNBOY-LJQANCHMSA-N 1 1 480.679 1.892 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC001509519328 1073664151 /nfs/dbraw/zinc/66/41/51/1073664151.db2.gz STAGLTGVJUUCHQ-RBUKOAKNSA-N 1 1 456.657 1.620 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001509519806 1073664310 /nfs/dbraw/zinc/66/43/10/1073664310.db2.gz XZLTXQKBWHGNDM-UHFFFAOYSA-N 1 1 481.443 1.586 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001509520001 1073664364 /nfs/dbraw/zinc/66/43/64/1073664364.db2.gz YZRNNISGPCGWNN-KRWDZBQOSA-N 1 1 462.576 1.330 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001509519946 1073664845 /nfs/dbraw/zinc/66/48/45/1073664845.db2.gz WPTNTQLRUDEIAW-IXDOHACOSA-N 1 1 463.670 1.168 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001509520829 1073665177 /nfs/dbraw/zinc/66/51/77/1073665177.db2.gz AQZDTUCJABCQFZ-UHFFFAOYSA-N 1 1 491.040 1.315 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001509522614 1073665218 /nfs/dbraw/zinc/66/52/18/1073665218.db2.gz NIPZJZVCTIQWLM-FQEVSTJZSA-N 1 1 468.668 1.907 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001509520957 1073665265 /nfs/dbraw/zinc/66/52/65/1073665265.db2.gz CVSGDPPWTHJBQJ-INIZCTEOSA-N 1 1 452.563 1.234 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001509524001 1073666392 /nfs/dbraw/zinc/66/63/92/1073666392.db2.gz ZFXKMHYZIPNQDU-UHFFFAOYSA-N 1 1 492.646 1.917 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001509523853 1073666448 /nfs/dbraw/zinc/66/64/48/1073666448.db2.gz XQYPAGOAHWZIOF-QGZVFWFLSA-N 1 1 452.567 1.353 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001509525915 1073667211 /nfs/dbraw/zinc/66/72/11/1073667211.db2.gz FMJLCNNKQFUWQE-ROUUACIJSA-N 1 1 468.668 1.652 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001509525917 1073667459 /nfs/dbraw/zinc/66/74/59/1073667459.db2.gz FMJLCNNKQFUWQE-ZWKOTPCHSA-N 1 1 468.668 1.652 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 ZINC001509527476 1073668163 /nfs/dbraw/zinc/66/81/63/1073668163.db2.gz KUYGATKWDZMZMB-GOSISDBHSA-N 1 1 482.676 1.966 20 0 JDADMO CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001509527534 1073668208 /nfs/dbraw/zinc/66/82/08/1073668208.db2.gz LIPALWWQOCDKQN-FDFHNCONSA-N 1 1 495.738 1.515 20 0 JDADMO CC(C)[N@@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 ZINC001509527907 1073669737 /nfs/dbraw/zinc/66/97/37/1073669737.db2.gz NQAAAPBPSLTIFU-SFHVURJKSA-N 1 1 450.613 1.029 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001509530352 1073670223 /nfs/dbraw/zinc/67/02/23/1073670223.db2.gz SMVGAGLQGAYWCG-GCJKJVERSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001509530352 1073670231 /nfs/dbraw/zinc/67/02/31/1073670231.db2.gz SMVGAGLQGAYWCG-GCJKJVERSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 ZINC001509528786 1073670362 /nfs/dbraw/zinc/67/03/62/1073670362.db2.gz ZPDGNNGUUWFMMT-UHFFFAOYSA-N 1 1 455.607 1.679 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001509530357 1073670586 /nfs/dbraw/zinc/67/05/86/1073670586.db2.gz SMVGAGLQGAYWCG-PGRDOPGGSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)N(Cc1cccc(F)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001509530357 1073670612 /nfs/dbraw/zinc/67/06/12/1073670612.db2.gz SMVGAGLQGAYWCG-PGRDOPGGSA-N 1 1 465.595 1.801 20 0 JDADMO CC(C)[N@@H+](C)CCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001509532247 1073671315 /nfs/dbraw/zinc/67/13/15/1073671315.db2.gz YQYWJPMCWRUFDX-UHFFFAOYSA-N 1 1 454.572 1.418 20 0 JDADMO CC(C)[N@H+]1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001509557962 1073680855 /nfs/dbraw/zinc/68/08/55/1073680855.db2.gz SYMRBOVLIQSTET-ZWKOTPCHSA-N 1 1 452.625 1.258 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001509557949 1073680916 /nfs/dbraw/zinc/68/09/16/1073680916.db2.gz SYMRBOVLIQSTET-MSOLQXFVSA-N 1 1 452.625 1.258 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001509557364 1073681044 /nfs/dbraw/zinc/68/10/44/1073681044.db2.gz RRFNDUKRSJINGD-LJQANCHMSA-N 1 1 466.581 1.955 20 0 JDADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)C1 ZINC001509557942 1073681055 /nfs/dbraw/zinc/68/10/55/1073681055.db2.gz SVBLDWKEWPCACL-SFHVURJKSA-N 1 1 461.636 1.979 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509559032 1073681955 /nfs/dbraw/zinc/68/19/55/1073681955.db2.gz BXDXPTWVUUCRAB-MRXNPFEDSA-N 1 1 466.608 1.607 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 ZINC001509558885 1073682003 /nfs/dbraw/zinc/68/20/03/1073682003.db2.gz CWQSGLIBUIHRAY-DVECYGJZSA-N 1 1 494.637 1.658 20 0 JDADMO CC(C)[N@H+]1CCC[C@H](Cn2c(-c3noc4c3COCC4)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001509559030 1073682120 /nfs/dbraw/zinc/68/21/20/1073682120.db2.gz BXDXPTWVUUCRAB-INIZCTEOSA-N 1 1 466.608 1.607 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001509560331 1073682701 /nfs/dbraw/zinc/68/27/01/1073682701.db2.gz KJACNCSPICJYSD-GOSISDBHSA-N 1 1 472.681 1.081 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCCS2)CC1 ZINC001509560277 1073682849 /nfs/dbraw/zinc/68/28/49/1073682849.db2.gz KDSIIOKNYMEPRW-QZTJIDSGSA-N 1 1 472.681 1.427 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CC(F)(F)F)CC1 ZINC001509561545 1073683019 /nfs/dbraw/zinc/68/30/19/1073683019.db2.gz SJBTUDZKJWFSIV-QGZVFWFLSA-N 1 1 480.601 1.985 20 0 JDADMO CC(C)[N@H+]1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 ZINC001509562378 1073683618 /nfs/dbraw/zinc/68/36/18/1073683618.db2.gz NBLZWRGDOLNNHL-XGHQBKJUSA-N 1 1 452.625 1.002 20 0 JDADMO CC(C)[N@H+]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)CC1 ZINC001509562239 1073683711 /nfs/dbraw/zinc/68/37/11/1073683711.db2.gz DTLKLWGBTGXOOR-UHFFFAOYSA-N 1 1 454.572 1.466 20 0 JDADMO CC(C)[N@H+]1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCN2CCOCC2)C1 ZINC001509562789 1073683730 /nfs/dbraw/zinc/68/37/30/1073683730.db2.gz NKAOYJVQYANCMH-WOJBJXKFSA-N 1 1 468.668 1.069 20 0 JDADMO 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CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001502287292 1070023211 /nfs/dbraw/zinc/02/32/11/1070023211.db2.gz BFCRCBVNFXFKLX-KZNAEPCWSA-N 1 1 482.651 1.768 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 ZINC001502287395 1070023267 /nfs/dbraw/zinc/02/32/67/1070023267.db2.gz CYVBCYIDNKOSNC-ZWKOTPCHSA-N 1 1 455.625 1.500 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001502287478 1070023781 /nfs/dbraw/zinc/02/37/81/1070023781.db2.gz FLQWSEFCKGASAC-MSOLQXFVSA-N 1 1 481.667 1.295 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001502287914 1070024392 /nfs/dbraw/zinc/02/43/92/1070024392.db2.gz MYKYKMKFTBPFOZ-CEXWTWQISA-N 1 1 486.708 1.817 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 ZINC001502287917 1070024505 /nfs/dbraw/zinc/02/45/05/1070024505.db2.gz MYKYKMKFTBPFOZ-QYZOEREBSA-N 1 1 486.708 1.817 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 ZINC001502287915 1070024659 /nfs/dbraw/zinc/02/46/59/1070024659.db2.gz MYKYKMKFTBPFOZ-GUDVDZBRSA-N 1 1 486.708 1.817 20 0 JDADMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC001478596407 1070024634 /nfs/dbraw/zinc/02/46/34/1070024634.db2.gz NXGHRJKZPGLSHL-HNNXBMFYSA-N 1 1 452.606 1.582 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001502288040 1070025343 /nfs/dbraw/zinc/02/53/43/1070025343.db2.gz OZOVPTCBEGYILX-HZPDHXFCSA-N 1 1 464.558 1.349 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001502288038 1070025645 /nfs/dbraw/zinc/02/56/45/1070025645.db2.gz OZOVPTCBEGYILX-CVEARBPZSA-N 1 1 464.558 1.349 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001502288282 1070026195 /nfs/dbraw/zinc/02/61/95/1070026195.db2.gz UDBATQLMHSDDIY-IXDOHACOSA-N 1 1 478.585 1.737 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 ZINC001502288308 1070026271 /nfs/dbraw/zinc/02/62/71/1070026271.db2.gz UQUZNPSNRRBXFJ-DBXWQHBBSA-N 1 1 454.641 1.722 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 ZINC001502291923 1070031801 /nfs/dbraw/zinc/03/18/01/1070031801.db2.gz JGTZZRRFRCPTLY-ZWKOTPCHSA-N 1 1 454.641 1.770 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 ZINC001502288477 1070027730 /nfs/dbraw/zinc/02/77/30/1070027730.db2.gz XMCNICHMCCMGGR-ZWKOTPCHSA-N 1 1 451.593 1.911 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001502288667 1070027811 /nfs/dbraw/zinc/02/78/11/1070027811.db2.gz ZXMPFTCTKQFTOT-HOTGVXAUSA-N 1 1 462.567 1.331 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O ZINC001502288808 1070027952 /nfs/dbraw/zinc/02/79/52/1070027952.db2.gz CRLPJQYPAPILIO-GOSISDBHSA-N 1 1 459.620 1.820 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001502288677 1070027988 /nfs/dbraw/zinc/02/79/88/1070027988.db2.gz AEXWBVOCAULDMG-RZUBCFFCSA-N 1 1 471.602 1.916 20 0 JDADMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)C2)nc1 ZINC001478604473 1070028277 /nfs/dbraw/zinc/02/82/77/1070028277.db2.gz DQLRJTCXZYGCFF-UMQXSMKFSA-N 1 1 456.591 1.834 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001502289861 1070028438 /nfs/dbraw/zinc/02/84/38/1070028438.db2.gz XCBROOHFLLVJGI-LJQANCHMSA-N 1 1 488.662 1.291 20 0 JDADMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001502290120 1070028809 /nfs/dbraw/zinc/02/88/09/1070028809.db2.gz BVFUHNBHRUSZCM-IFMALSPDSA-N 1 1 456.591 1.991 20 0 JDADMO CC[N@@H+]1CCC[C@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502290636 1070028940 /nfs/dbraw/zinc/02/89/40/1070028940.db2.gz MGTZNGLPESSSCP-PGRDOPGGSA-N 1 1 469.652 1.816 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502290636 1070028956 /nfs/dbraw/zinc/02/89/56/1070028956.db2.gz MGTZNGLPESSSCP-PGRDOPGGSA-N 1 1 469.652 1.816 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001502290736 1070028989 /nfs/dbraw/zinc/02/89/89/1070028989.db2.gz OOFSSWVVXVCUQM-IBGZPJMESA-N 1 1 492.646 1.868 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001502291510 1070029374 /nfs/dbraw/zinc/02/93/74/1070029374.db2.gz BSQWEYGFTBHEQU-IBGZPJMESA-N 1 1 486.621 1.986 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001502291539 1070029861 /nfs/dbraw/zinc/02/98/61/1070029861.db2.gz CEUAZLLQNVYJLL-IEBWSBKVSA-N 1 1 484.667 1.885 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 ZINC001502291730 1070030277 /nfs/dbraw/zinc/03/02/77/1070030277.db2.gz GNFFUFXPIWRCNA-AUSIDOKSSA-N 1 1 458.611 1.776 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001502291583 1070030798 /nfs/dbraw/zinc/03/07/98/1070030798.db2.gz DCAATHDZNFTLND-GBESFXJTSA-N 1 1 484.667 1.537 20 0 JDADMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCc3cccc(CS(N)(=O)=O)c3)cc2)CC1 ZINC001478614870 1070031214 /nfs/dbraw/zinc/03/12/14/1070031214.db2.gz HXTXPJUOCDJRFO-UHFFFAOYSA-N 1 1 459.616 1.612 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001502291917 1070031345 /nfs/dbraw/zinc/03/13/45/1070031345.db2.gz JFKIIGINADHUIM-VQIMIIECSA-N 1 1 469.656 1.210 20 0 JDADMO CC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 ZINC001502288476 1070027331 /nfs/dbraw/zinc/02/73/31/1070027331.db2.gz XMCNICHMCCMGGR-ROUUACIJSA-N 1 1 451.593 1.911 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001502292686 1070034983 /nfs/dbraw/zinc/03/49/83/1070034983.db2.gz WALYLXZDSSRYRF-DOTOQJQBSA-N 1 1 463.608 1.426 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC(=O)NC ZINC001502294159 1070036980 /nfs/dbraw/zinc/03/69/80/1070036980.db2.gz SZSXEKJJORVBBW-IBGZPJMESA-N 1 1 491.662 1.642 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 ZINC001502292920 1070035488 /nfs/dbraw/zinc/03/54/88/1070035488.db2.gz ZHIZBLWUVSCGIE-MANSERQUSA-N 1 1 454.641 1.768 20 0 JDADMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 ZINC001502293312 1070035517 /nfs/dbraw/zinc/03/55/17/1070035517.db2.gz BVRMMAVSYKJUCW-OAHLLOKOSA-N 1 1 450.385 1.857 20 0 JDADMO CCn1cc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC[N@H+]2CC)cn1 ZINC001502292864 1070036027 /nfs/dbraw/zinc/03/60/27/1070036027.db2.gz YTEBIWUAWDYDFR-SJLPKXTDSA-N 1 1 452.629 1.616 20 0 JDADMO CC[N@H+]1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 ZINC001502292705 1070036059 /nfs/dbraw/zinc/03/60/59/1070036059.db2.gz WLFFYQKTFSGYGE-SFHVURJKSA-N 1 1 470.578 1.095 20 0 JDADMO 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JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502312665 1070084759 /nfs/dbraw/zinc/08/47/59/1070084759.db2.gz PZDIHESHOKPFQH-PMACEKPBSA-N 1 1 490.678 1.132 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001502312364 1070083678 /nfs/dbraw/zinc/08/36/78/1070083678.db2.gz KSASDQGBIBLFAS-WBVHZDCISA-N 1 1 454.501 1.529 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC001502312554 1070084819 /nfs/dbraw/zinc/08/48/19/1070084819.db2.gz OIIQOZVWENIUGJ-IAGOWNOFSA-N 1 1 495.554 1.266 20 0 JDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077458 1070085307 /nfs/dbraw/zinc/08/53/07/1070085307.db2.gz XUGOSTXASOZXJE-ZWKOTPCHSA-N 1 1 451.612 1.970 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](OCCOC)C2)CC1 ZINC001502313007 1070085311 /nfs/dbraw/zinc/08/53/11/1070085311.db2.gz WKMYGIKQLRMXOB-PZJWPPBQSA-N 1 1 460.627 1.336 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ncc(Cl)n2C)CC1 ZINC001502312937 1070085938 /nfs/dbraw/zinc/08/59/38/1070085938.db2.gz VJFFGTUPOXPEJR-CVEARBPZSA-N 1 1 464.018 1.279 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](OCCOC)C2)CC1 ZINC001502313005 1070086253 /nfs/dbraw/zinc/08/62/53/1070086253.db2.gz WKMYGIKQLRMXOB-CTNGQTDRSA-N 1 1 460.627 1.336 20 0 JDADMO CCN1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC001502313368 1070087885 /nfs/dbraw/zinc/08/78/85/1070087885.db2.gz CTPWXHAUWJZPTN-YPAWHYETSA-N 1 1 495.738 1.374 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502313436 1070088088 /nfs/dbraw/zinc/08/80/88/1070088088.db2.gz DQVSRETUXRWMQW-ROUUACIJSA-N 1 1 453.657 1.042 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(F)(F)F)CC2)CC1 ZINC001502313551 1070089279 /nfs/dbraw/zinc/08/92/79/1070089279.db2.gz GLMFHHJYSKHZKO-MOPGFXCFSA-N 1 1 473.588 1.882 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)CC1 ZINC001479126015 1070089578 /nfs/dbraw/zinc/08/95/78/1070089578.db2.gz BGUDFIVSFLBWDR-UHFFFAOYSA-N 1 1 456.591 1.298 20 0 JDADMO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)CCS2(=O)=O ZINC001479144420 1070093836 /nfs/dbraw/zinc/09/38/36/1070093836.db2.gz UPCBJHOLGAVXJE-GYPPFNJCSA-N 1 1 455.621 1.982 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502314124 1070091123 /nfs/dbraw/zinc/09/11/23/1070091123.db2.gz PZKAXHVYABBBRP-RTBURBONSA-N 1 1 457.598 1.701 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502314282 1070092252 /nfs/dbraw/zinc/09/22/52/1070092252.db2.gz SEJDHHNHGPSEPB-SFTDATJTSA-N 1 1 453.635 1.870 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502314280 1070092425 /nfs/dbraw/zinc/09/24/25/1070092425.db2.gz SEJDHHNHGPSEPB-NHCUHLMSSA-N 1 1 453.635 1.870 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCCC3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502314260 1070092549 /nfs/dbraw/zinc/09/25/49/1070092549.db2.gz RXDSVMZLHRBGRB-LJQANCHMSA-N 1 1 467.684 1.433 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314430 1070093079 /nfs/dbraw/zinc/09/30/79/1070093079.db2.gz VIBCLALQYSDFPS-WOJBJXKFSA-N 1 1 497.710 1.106 20 0 JDADMO Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[N@H+]3C3CCCCCC3)CC2)cn1C ZINC001479144191 1070093293 /nfs/dbraw/zinc/09/32/93/1070093293.db2.gz TTXBCWAZEBKONN-LJQANCHMSA-N 1 1 452.625 1.542 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)CC1 ZINC001502314427 1070093493 /nfs/dbraw/zinc/09/34/93/1070093493.db2.gz VIBCLALQYSDFPS-PMACEKPBSA-N 1 1 497.710 1.106 20 0 JDADMO Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC001479145793 1070093446 /nfs/dbraw/zinc/09/34/46/1070093446.db2.gz BUJMGZSMQGWNHM-IBGZPJMESA-N 1 1 452.621 1.746 20 0 JDADMO Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC001479145793 1070093460 /nfs/dbraw/zinc/09/34/60/1070093460.db2.gz BUJMGZSMQGWNHM-IBGZPJMESA-N 1 1 452.621 1.746 20 0 JDADMO Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC001479145794 1070093576 /nfs/dbraw/zinc/09/35/76/1070093576.db2.gz BUJMGZSMQGWNHM-LJQANCHMSA-N 1 1 452.621 1.746 20 0 JDADMO Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC001479145794 1070093590 /nfs/dbraw/zinc/09/35/90/1070093590.db2.gz BUJMGZSMQGWNHM-LJQANCHMSA-N 1 1 452.621 1.746 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCOC)CC1 ZINC001502314623 1070094655 /nfs/dbraw/zinc/09/46/55/1070094655.db2.gz YBCFYQWWCUDPAO-FQEVSTJZSA-N 1 1 471.654 1.561 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502314977 1070096659 /nfs/dbraw/zinc/09/66/59/1070096659.db2.gz DYWYAXHZGZCHKN-MJGOQNOKSA-N 1 1 474.679 1.622 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502315656 1070103621 /nfs/dbraw/zinc/10/36/21/1070103621.db2.gz RZQUVUZAJYHOGK-HXUWFJFHSA-N 1 1 454.623 1.349 20 0 JDADMO Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)nc1 ZINC001479178043 1070099599 /nfs/dbraw/zinc/09/95/99/1070099599.db2.gz PLOZICRZAJERHX-RTWAWAEBSA-N 1 1 458.607 1.547 20 0 JDADMO COc1cccc([C@H](C)N2CCN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177980 1070099855 /nfs/dbraw/zinc/09/98/55/1070099855.db2.gz NSXRWIFIQDPVAH-JTHBVZDNSA-N 1 1 459.635 1.880 20 0 JDADMO COc1cccc([C@H](C)N2CCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)CC2)c1 ZINC001479177978 1070100501 /nfs/dbraw/zinc/10/05/01/1070100501.db2.gz NSXRWIFIQDPVAH-GMAHTHKFSA-N 1 1 459.635 1.880 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001502315452 1070101039 /nfs/dbraw/zinc/10/10/39/1070101039.db2.gz ODKAQYHTQHVORH-SFTDATJTSA-N 1 1 461.655 1.678 20 0 JDADMO CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC001479189514 1070104296 /nfs/dbraw/zinc/10/42/96/1070104296.db2.gz OFNJRKFPFLXBNZ-MOPGFXCFSA-N 1 1 452.621 1.419 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315824 1070105949 /nfs/dbraw/zinc/10/59/49/1070105949.db2.gz VHZJAXFNZVQKIL-PKOBYXMFSA-N 1 1 474.679 1.752 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502315823 1070106043 /nfs/dbraw/zinc/10/60/43/1070106043.db2.gz VHZJAXFNZVQKIL-MJGOQNOKSA-N 1 1 474.679 1.752 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502315807 1070106517 /nfs/dbraw/zinc/10/65/17/1070106517.db2.gz VEGFMCAEQJJHAL-GMAHTHKFSA-N 1 1 485.681 1.470 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1C[N@@H+](C)CCN1C ZINC001479205828 1070106729 /nfs/dbraw/zinc/10/67/29/1070106729.db2.gz SFFAKDRIXHKXQH-FHWLQOOXSA-N 1 1 453.628 1.726 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CN(C)CC[N@@H+]1C ZINC001479205828 1070106767 /nfs/dbraw/zinc/10/67/67/1070106767.db2.gz SFFAKDRIXHKXQH-FHWLQOOXSA-N 1 1 453.628 1.726 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CN(C)CC[N@H+]1C ZINC001479205828 1070106779 /nfs/dbraw/zinc/10/67/79/1070106779.db2.gz SFFAKDRIXHKXQH-FHWLQOOXSA-N 1 1 453.628 1.726 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@@H+](C)CCN1C ZINC001479205829 1070107142 /nfs/dbraw/zinc/10/71/42/1070107142.db2.gz SFFAKDRIXHKXQH-GBESFXJTSA-N 1 1 453.628 1.726 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CN(C)CC[N@@H+]1C ZINC001479205829 1070107188 /nfs/dbraw/zinc/10/71/88/1070107188.db2.gz SFFAKDRIXHKXQH-GBESFXJTSA-N 1 1 453.628 1.726 20 0 JDADMO C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CN(C)CC[N@H+]1C ZINC001479205829 1070107207 /nfs/dbraw/zinc/10/72/07/1070107207.db2.gz SFFAKDRIXHKXQH-GBESFXJTSA-N 1 1 453.628 1.726 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502315887 1070107638 /nfs/dbraw/zinc/10/76/38/1070107638.db2.gz WFEDKBLFBKGHTR-GBESFXJTSA-N 1 1 475.663 1.909 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502315922 1070107889 /nfs/dbraw/zinc/10/78/89/1070107889.db2.gz WSUZAJNZBCNHRL-IAGOWNOFSA-N 1 1 460.652 1.327 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502316080 1070110589 /nfs/dbraw/zinc/11/05/89/1070110589.db2.gz YZIMFFQQZWPRKH-LQWHRVPQSA-N 1 1 477.679 1.900 20 0 JDADMO CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)NC[C@@]1(CO)COC[C@@H]3CCC[N@H+]31)O2 ZINC001479234024 1070110714 /nfs/dbraw/zinc/11/07/14/1070110714.db2.gz GDQRMOCJUOSRCA-LVGZRHPDSA-N 1 1 453.580 1.181 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(N3CCC[C@H](CNS(C)(=O)=O)C3)nnc2C(C)(C)C)CC1 ZINC001502317105 1070119655 /nfs/dbraw/zinc/11/96/55/1070119655.db2.gz ZNVJNYRMACDTRT-RTBURBONSA-N 1 1 469.700 1.367 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc3cc(OC)ccc3n2C)C[C@@H]1C ZINC001502317404 1070119062 /nfs/dbraw/zinc/11/90/62/1070119062.db2.gz GRAYINUXYYCING-INIZCTEOSA-N 1 1 454.579 1.890 20 0 JDADMO CC[N@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001502317205 1070119113 /nfs/dbraw/zinc/11/91/13/1070119113.db2.gz BZLLSAXOVLPGHF-MRXNPFEDSA-N 1 1 497.003 1.934 20 0 JDADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317303 1070120004 /nfs/dbraw/zinc/12/00/04/1070120004.db2.gz DVLJYUHGSXNJHB-DVECYGJZSA-N 1 1 455.607 1.744 20 0 JDADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)C[C@H]1C ZINC001502317304 1070120281 /nfs/dbraw/zinc/12/02/81/1070120281.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 1 1 455.607 1.744 20 0 JDADMO CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[N@@H+](C)C2)C[C@H]1C ZINC001502317304 1070120294 /nfs/dbraw/zinc/12/02/94/1070120294.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 1 1 455.607 1.744 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CC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C ZINC001502330091 1070164459 /nfs/dbraw/zinc/16/44/59/1070164459.db2.gz OTGJTBLNEYPWLC-GOSISDBHSA-N 1 1 490.630 1.413 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502331249 1070166197 /nfs/dbraw/zinc/16/61/97/1070166197.db2.gz MGXWHAXCAFBXNI-PMACEKPBSA-N 1 1 476.647 1.977 20 0 JDADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(C(N)=O)c2)C[C@H]1C ZINC001502330552 1070166444 /nfs/dbraw/zinc/16/64/44/1070166444.db2.gz YEZCDPNVSHDACD-MRXNPFEDSA-N 1 1 467.599 1.947 20 0 JDADMO CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)CC1 ZINC001479574145 1070167624 /nfs/dbraw/zinc/16/76/24/1070167624.db2.gz BTGMQCCTZAKZCS-SFYKDHMMSA-N 1 1 454.612 1.939 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(=O)(=O)CC)C[C@H]1C ZINC001502331848 1070167803 /nfs/dbraw/zinc/16/78/03/1070167803.db2.gz YCQXBCBHKLMIMR-LJQANCHMSA-N 1 1 464.636 1.944 20 0 JDADMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479595993 1070170033 /nfs/dbraw/zinc/17/00/33/1070170033.db2.gz LKWHASYAHJMEMI-AHRSYUTCSA-N 1 1 451.999 1.516 20 0 JDADMO COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)CC1 ZINC001479591590 1070170291 /nfs/dbraw/zinc/17/02/91/1070170291.db2.gz WIBKYMNTLLWVLB-DJIMGWMZSA-N 1 1 456.996 1.705 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCO[C@H]3C(C)C)C2)CC1 ZINC001502333434 1070176287 /nfs/dbraw/zinc/17/62/87/1070176287.db2.gz JESNTIUZJVKJJE-BQJUDKOJSA-N 1 1 497.710 1.166 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCc3ccccc3F)C2)CC1 ZINC001502333393 1070176541 /nfs/dbraw/zinc/17/65/41/1070176541.db2.gz HSVQTFRZCBALAC-AZUAARDMSA-N 1 1 493.653 1.486 20 0 JDADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)NC)C[C@@H]1C ZINC001502332612 1070172779 /nfs/dbraw/zinc/17/27/79/1070172779.db2.gz OLEVCSMRSLGVNV-KRWDZBQOSA-N 1 1 452.650 1.958 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(NC(=O)OC(C)(C)C)COC2)C[C@@H]1C ZINC001502333026 1070174268 /nfs/dbraw/zinc/17/42/68/1070174268.db2.gz YPIKZNAFISFCKX-FHWLQOOXSA-N 1 1 494.637 1.826 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(C)CCC3)C2)CC1 ZINC001502333151 1070174336 /nfs/dbraw/zinc/17/43/36/1070174336.db2.gz BGMRHZGCQGBXIJ-ROUUACIJSA-N 1 1 453.657 1.295 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(NC(=O)OC(C)(C)C)COC2)C[C@H]1C ZINC001502333027 1070174988 /nfs/dbraw/zinc/17/49/88/1070174988.db2.gz YPIKZNAFISFCKX-QYZOEREBSA-N 1 1 494.637 1.826 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCO[C@@H]3C(C)C)C2)CC1 ZINC001502333436 1070177940 /nfs/dbraw/zinc/17/79/40/1070177940.db2.gz JESNTIUZJVKJJE-DOIPELPJSA-N 1 1 497.710 1.166 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)OCCOC)n3Cc3ncccc3C)C2)CC1 ZINC001502333622 1070178066 /nfs/dbraw/zinc/17/80/66/1070178066.db2.gz NBOFNHWMBZTRAC-NHCUHLMSSA-N 1 1 457.623 1.970 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCc3ccsc3)C2)CC1 ZINC001502333759 1070180828 /nfs/dbraw/zinc/18/08/28/1070180828.db2.gz QFUCRKWTSGZSDY-IEBWSBKVSA-N 1 1 481.692 1.409 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)OCCOC)n3CC3(O)CCCC3)C2)CC1 ZINC001502333814 1070181187 /nfs/dbraw/zinc/18/11/87/1070181187.db2.gz RUQVZODQDKURJQ-VQTJNVASSA-N 1 1 450.628 1.523 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccnc4)n3CC(=O)NCC(F)(F)F)C2)CC1 ZINC001502334168 1070182755 /nfs/dbraw/zinc/18/27/55/1070182755.db2.gz BBDALXQMIRHLDD-QGZVFWFLSA-N 1 1 466.512 1.235 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCOC4)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502335014 1070192641 /nfs/dbraw/zinc/19/26/41/1070192641.db2.gz YCRKEAYRXAHNFV-LEWJYISDSA-N 1 1 482.695 1.603 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4ccc(Cl)nc4)n3C[C@@H](COC)OC)C2)CC1 ZINC001502334761 1070188619 /nfs/dbraw/zinc/18/86/19/1070188619.db2.gz QCIJLHDHACIFMG-MOPGFXCFSA-N 1 1 464.014 1.871 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4ccccc4F)n3CCS(=O)(=O)NC(C)C)C2)CC1 ZINC001502334681 1070189027 /nfs/dbraw/zinc/18/90/27/1070189027.db2.gz NUZKUPJSEICJMK-IBGZPJMESA-N 1 1 493.653 1.628 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccn4C)n3CCCCCS(C)(=O)=O)C2)CC1 ZINC001502334860 1070190299 /nfs/dbraw/zinc/19/02/99/1070190299.db2.gz UALQSWPTTNFQSB-FQEVSTJZSA-N 1 1 477.679 1.715 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CCC(=O)NC)C2)CC1 ZINC001502335623 1070197924 /nfs/dbraw/zinc/19/79/24/1070197924.db2.gz MYAKJRICKLGITA-JOCHJYFZSA-N 1 1 453.635 1.806 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCCOC4)n3CCSCCCO)C2)CC1 ZINC001502335548 1070195656 /nfs/dbraw/zinc/19/56/56/1070195656.db2.gz LHGDTCWYSVODDN-VQTJNVASSA-N 1 1 452.669 1.504 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001502335477 1070195828 /nfs/dbraw/zinc/19/58/28/1070195828.db2.gz JXTOVKILYQFIQU-OFNKIYASSA-N 1 1 462.664 1.934 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@](C)(O)CCOC)C2)CC1 ZINC001502335475 1070196303 /nfs/dbraw/zinc/19/63/03/1070196303.db2.gz JXTOVKILYQFIQU-NFBKMPQASA-N 1 1 462.664 1.934 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccsc4)n3C[C@@](C)(O)CCOC)C2)CC1 ZINC001502335478 1070196419 /nfs/dbraw/zinc/19/64/19/1070196419.db2.gz JXTOVKILYQFIQU-REWPJTCUSA-N 1 1 462.664 1.934 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccncc4)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502335672 1070197727 /nfs/dbraw/zinc/19/77/27/1070197727.db2.gz NQQOOZKZASTLII-HXUWFJFHSA-N 1 1 454.623 1.252 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cn4nc(C)cc4C)n3C[C@H](COC)OC)C2)CC1 ZINC001502335616 1070197853 /nfs/dbraw/zinc/19/78/53/1070197853.db2.gz MVQABERPQRPQAJ-NHCUHLMSSA-N 1 1 460.627 1.017 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCCN(C)CC(F)(F)F)C2)CC1 ZINC001502335785 1070199014 /nfs/dbraw/zinc/19/90/14/1070199014.db2.gz QRUOBVYGPWMHPF-RTBURBONSA-N 1 1 473.588 1.882 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CN4CCCC4=O)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001502336070 1070199060 /nfs/dbraw/zinc/19/90/60/1070199060.db2.gz VAWQRNDQKQUJSQ-UXHICEINSA-N 1 1 461.655 1.678 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCCN(C)CC(F)(F)F)C2)CC1 ZINC001502335784 1070199348 /nfs/dbraw/zinc/19/93/48/1070199348.db2.gz QRUOBVYGPWMHPF-RBUKOAKNSA-N 1 1 473.588 1.882 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(NC(=O)c3cc(C)on3)CC2)CC1 ZINC001502337352 1070203579 /nfs/dbraw/zinc/20/35/79/1070203579.db2.gz GXVVHWNGRCQVQW-KRWDZBQOSA-N 1 1 458.611 1.555 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001502337068 1070200469 /nfs/dbraw/zinc/20/04/69/1070200469.db2.gz ABEHQVOOZOJNHG-LJQANCHMSA-N 1 1 454.623 1.286 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4C)n3CCC(=O)N(C)C)C2)CC1 ZINC001502336377 1070201003 /nfs/dbraw/zinc/20/10/03/1070201003.db2.gz ZMDXXHRMDAJEDH-JOCHJYFZSA-N 1 1 453.635 1.872 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(=O)NC)C2)CC1 ZINC001502336267 1070201424 /nfs/dbraw/zinc/20/14/24/1070201424.db2.gz XBLCNSFWPXINBT-NRFANRHFSA-N 1 1 483.661 1.866 20 0 JDADMO Cc1noc([C@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)C(C)C)C2)n1 ZINC001493080564 1070202512 /nfs/dbraw/zinc/20/25/12/1070202512.db2.gz ZPRZOPZKTDWJHM-IRXDYDNUSA-N 1 1 451.597 1.596 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC001502337205 1070202678 /nfs/dbraw/zinc/20/26/78/1070202678.db2.gz DDOLFCXEUVIPFU-AIFLQVKLSA-N 1 1 491.681 1.463 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502337435 1070204484 /nfs/dbraw/zinc/20/44/84/1070204484.db2.gz HXYYINYZJWIYGD-UXHICEINSA-N 1 1 499.660 1.903 20 0 JDADMO Cc1noc(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CC=CCC3)CC2)n1 ZINC001493090443 1070204336 /nfs/dbraw/zinc/20/43/36/1070204336.db2.gz XBLDICXVRICXTL-OAHLLOKOSA-N 1 1 464.596 1.226 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)CC1 ZINC001502337460 1070206041 /nfs/dbraw/zinc/20/60/41/1070206041.db2.gz IFGNBXJBWZATRG-UNMCSNQZSA-N 1 1 475.682 1.943 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3C[C@H](C)COC)C2)CC1 ZINC001502337588 1070207500 /nfs/dbraw/zinc/20/75/00/1070207500.db2.gz KUFSICXUKYWCOZ-RBUKOAKNSA-N 1 1 475.663 1.768 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(COc4ccccc4OC)n3CC(C)(C)O)C2)CC1 ZINC001502337674 1070207841 /nfs/dbraw/zinc/20/78/41/1070207841.db2.gz MIGMOAAHPZLMDJ-IBGZPJMESA-N 1 1 458.607 1.853 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CNC(=O)c4cccs4)n3C[C@H](C)COC)C2)CC1 ZINC001502337587 1070208311 /nfs/dbraw/zinc/20/83/11/1070208311.db2.gz KUFSICXUKYWCOZ-OALUTQOASA-N 1 1 475.663 1.768 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCS[C@@H](C)C2)CC1 ZINC001502337632 1070208376 /nfs/dbraw/zinc/20/83/76/1070208376.db2.gz LNMJZJLYYQASJR-OKZBNKHCSA-N 1 1 473.713 1.104 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](N3CCCC3=O)C2)CC1 ZINC001502337727 1070209540 /nfs/dbraw/zinc/20/95/40/1070209540.db2.gz MWBRPPLMOWPYQJ-NHCUHLMSSA-N 1 1 488.681 1.281 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC001502337728 1070210007 /nfs/dbraw/zinc/21/00/07/1070210007.db2.gz MWBRPPLMOWPYQJ-RTWAWAEBSA-N 1 1 488.681 1.281 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502337935 1070212266 /nfs/dbraw/zinc/21/22/66/1070212266.db2.gz PRBKHJKSXNBWMU-IBGZPJMESA-N 1 1 471.654 1.466 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502338065 1070212398 /nfs/dbraw/zinc/21/23/98/1070212398.db2.gz RIYPRCXOUJZROQ-NHCUHLMSSA-N 1 1 481.711 1.679 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)CC1 ZINC001502338307 1070213287 /nfs/dbraw/zinc/21/32/87/1070213287.db2.gz URRSEXLRUBVBHB-UWHLTILDSA-N 1 1 461.655 1.409 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(Nc3cccnn3)CC2)CC1 ZINC001502338621 1070215690 /nfs/dbraw/zinc/21/56/90/1070215690.db2.gz XUBPWMYZUQKOBZ-FQEVSTJZSA-N 1 1 498.680 1.561 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001502338600 1070215860 /nfs/dbraw/zinc/21/58/60/1070215860.db2.gz XSRIDZIHOLDLNT-INDMIFKZSA-N 1 1 487.740 1.492 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001502338604 1070216361 /nfs/dbraw/zinc/21/63/61/1070216361.db2.gz XSRIDZIHOLDLNT-OKYOBFRVSA-N 1 1 487.740 1.492 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502339651 1070216818 /nfs/dbraw/zinc/21/68/18/1070216818.db2.gz BIBVOVODXLCCGK-IRLDBZIGSA-N 1 1 468.650 1.918 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502339652 1070217266 /nfs/dbraw/zinc/21/72/66/1070217266.db2.gz BIBVOVODXLCCGK-RBBKRZOGSA-N 1 1 468.650 1.918 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502340111 1070219324 /nfs/dbraw/zinc/21/93/24/1070219324.db2.gz DDLOPMXXKQXKEG-IBGZPJMESA-N 1 1 490.678 1.132 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502340112 1070219687 /nfs/dbraw/zinc/21/96/87/1070219687.db2.gz DDLOPMXXKQXKEG-LJQANCHMSA-N 1 1 490.678 1.132 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502340504 1070221265 /nfs/dbraw/zinc/22/12/65/1070221265.db2.gz GYHDIMMSLCTXOE-IBGZPJMESA-N 1 1 475.663 1.627 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502340609 1070221670 /nfs/dbraw/zinc/22/16/70/1070221670.db2.gz HXXJUTFMTZYLPW-GOSISDBHSA-N 1 1 493.678 1.638 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N2CCC[C@H](CNC(C)=O)C2)CC1 ZINC001502340594 1070221807 /nfs/dbraw/zinc/22/18/07/1070221807.db2.gz HPRHXTGSCPPOPS-PZJWPPBQSA-N 1 1 469.638 1.361 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001546278027 1070222444 /nfs/dbraw/zinc/22/24/44/1070222444.db2.gz UAZZEVYKFKDJAG-PMAPCBKXSA-N 1 1 479.647 1.744 20 0 JDADMO CCc1ccccc1OCc1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001546278027 1070222463 /nfs/dbraw/zinc/22/24/63/1070222463.db2.gz UAZZEVYKFKDJAG-PMAPCBKXSA-N 1 1 479.647 1.744 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccn3C)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502340910 1070222828 /nfs/dbraw/zinc/22/28/28/1070222828.db2.gz KSGJJROSUOHOSS-IRLDBZIGSA-N 1 1 470.666 1.862 20 0 JDADMO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCS(=O)CC2)CC1 ZINC001502341370 1070226993 /nfs/dbraw/zinc/22/69/93/1070226993.db2.gz UWFWVDXGVUUWFR-LJQANCHMSA-N 1 1 490.674 1.805 20 0 JDADMO Cc1nsc(N2CCCN(c3nnc([C@H]4CCC(=O)N4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001493165506 1070224421 /nfs/dbraw/zinc/22/44/21/1070224421.db2.gz LBSNCELFSIYNAA-QGZVFWFLSA-N 1 1 461.640 1.836 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502341126 1070224184 /nfs/dbraw/zinc/22/41/84/1070224184.db2.gz OJMKHJNZSADTBJ-HXUWFJFHSA-N 1 1 485.681 1.647 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC001502341125 1070224741 /nfs/dbraw/zinc/22/47/41/1070224741.db2.gz OJMKHJNZSADTBJ-FQEVSTJZSA-N 1 1 485.681 1.647 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502341354 1070225414 /nfs/dbraw/zinc/22/54/14/1070225414.db2.gz UKXOJGMBOZXWAN-FPOVZHCZSA-N 1 1 469.634 1.929 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccn3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502341519 1070229842 /nfs/dbraw/zinc/22/98/42/1070229842.db2.gz XQOCTALWDNTBBA-FQEVSTJZSA-N 1 1 468.650 1.966 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001502342660 1070232966 /nfs/dbraw/zinc/23/29/66/1070232966.db2.gz BOKOEALUHWBTMM-YADHBBJMSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3nn(C)c(=O)c4ccccc43)nnc2N(C)OC)CC1 ZINC001502342579 1070230263 /nfs/dbraw/zinc/23/02/63/1070230263.db2.gz ABFZRGJXYRTBQK-KRWDZBQOSA-N 1 1 454.579 1.463 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342872 1070232032 /nfs/dbraw/zinc/23/20/32/1070232032.db2.gz FXIPNTFAVIXZNX-YLJYHZDGSA-N 1 1 457.627 1.181 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502342871 1070232705 /nfs/dbraw/zinc/23/27/05/1070232705.db2.gz FXIPNTFAVIXZNX-XLIONFOSSA-N 1 1 457.627 1.181 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001493172276 1070235539 /nfs/dbraw/zinc/23/55/39/1070235539.db2.gz YPGMDKWEDRJCKO-FUHWJXTLSA-N 1 1 489.024 1.603 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001502343328 1070237052 /nfs/dbraw/zinc/23/70/52/1070237052.db2.gz NGDNJUUKQVCEGS-UXHICEINSA-N 1 1 454.623 1.204 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343307 1070237465 /nfs/dbraw/zinc/23/74/65/1070237465.db2.gz MYWPPNAMNODZGN-CTNGQTDRSA-N 1 1 482.695 1.807 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502343421 1070238682 /nfs/dbraw/zinc/23/86/82/1070238682.db2.gz OQXCWQIKRMYOGL-IFMALSPDSA-N 1 1 461.655 1.852 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CCCCO2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493181664 1070239428 /nfs/dbraw/zinc/23/94/28/1070239428.db2.gz YZBVNQDIMGCYAV-CEXWTWQISA-N 1 1 461.611 1.129 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC001502343401 1070240086 /nfs/dbraw/zinc/24/00/86/1070240086.db2.gz OLMMKWPHMOZUQT-CTNGQTDRSA-N 1 1 463.671 1.482 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(N3CCNC3=O)CC2)CC1 ZINC001502343560 1070241909 /nfs/dbraw/zinc/24/19/09/1070241909.db2.gz QGGGERXNCIJNCI-HXUWFJFHSA-N 1 1 460.671 1.744 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343494 1070242198 /nfs/dbraw/zinc/24/21/98/1070242198.db2.gz PLNRDCBCBXKTIN-WOJBJXKFSA-N 1 1 471.625 1.949 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502343838 1070246779 /nfs/dbraw/zinc/24/67/79/1070246779.db2.gz VOJNOCHDYBGBST-FQRUVTKNSA-N 1 1 483.661 1.853 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001493186694 1070246813 /nfs/dbraw/zinc/24/68/13/1070246813.db2.gz TYHMORIJIJZKOS-GHTZIAJQSA-N 1 1 458.582 1.912 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345383 1070248156 /nfs/dbraw/zinc/24/81/56/1070248156.db2.gz AOPDGCYJHVXMJH-IBGZPJMESA-N 1 1 473.597 1.548 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)[NH+]1CCOCC1 ZINC001493190357 1070248508 /nfs/dbraw/zinc/24/85/08/1070248508.db2.gz AVBNNPHIBSTJSM-GUDVDZBRSA-N 1 1 462.639 1.974 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC001502343786 1070244405 /nfs/dbraw/zinc/24/44/05/1070244405.db2.gz UTXSXCDPTSKMRW-SFTDATJTSA-N 1 1 490.697 1.686 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502343854 1070245649 /nfs/dbraw/zinc/24/56/49/1070245649.db2.gz VUFHXEJOSLPEJY-UYAOXDASSA-N 1 1 457.598 1.593 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502343878 1070245899 /nfs/dbraw/zinc/24/58/99/1070245899.db2.gz WBYJVDOQZZBPRQ-FGZHOGPDSA-N 1 1 475.682 1.750 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502345447 1070249914 /nfs/dbraw/zinc/24/99/14/1070249914.db2.gz BSEQJGCZJXXEJD-STWLZBDKSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@H](C(=O)OC)C2)CC1 ZINC001502345571 1070250330 /nfs/dbraw/zinc/25/03/30/1070250330.db2.gz CLBKNDOHTIOPOD-NQIIRXRSSA-N 1 1 472.638 1.413 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001493192110 1070250734 /nfs/dbraw/zinc/25/07/34/1070250734.db2.gz KDZZURMDVDITTR-GUDVDZBRSA-N 1 1 462.639 1.974 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001493192110 1070250760 /nfs/dbraw/zinc/25/07/60/1070250760.db2.gz KDZZURMDVDITTR-GUDVDZBRSA-N 1 1 462.639 1.974 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@@H+]1CCOCC1(C)C ZINC001493192113 1070250932 /nfs/dbraw/zinc/25/09/32/1070250932.db2.gz KDZZURMDVDITTR-IPMKNSEASA-N 1 1 462.639 1.974 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[N@H+]1CCOCC1(C)C ZINC001493192113 1070250957 /nfs/dbraw/zinc/25/09/57/1070250957.db2.gz KDZZURMDVDITTR-IPMKNSEASA-N 1 1 462.639 1.974 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493199315 1070253758 /nfs/dbraw/zinc/25/37/58/1070253758.db2.gz AJJSLNPBGJVLIV-MHORFTMASA-N 1 1 483.683 1.312 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001502345925 1070251861 /nfs/dbraw/zinc/25/18/61/1070251861.db2.gz HRRKOMGCFMWNAR-FQEVSTJZSA-N 1 1 461.655 1.793 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345651 1070252744 /nfs/dbraw/zinc/25/27/44/1070252744.db2.gz FFKICJLPTDHTHG-SFHVURJKSA-N 1 1 450.678 1.773 20 0 JDADMO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493199809 1070254551 /nfs/dbraw/zinc/25/45/51/1070254551.db2.gz BZLZDEQKAAJSLX-KDURUIRLSA-N 1 1 477.654 1.468 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCc3c(ccnc3N(C)C)C2)CC1 ZINC001502346251 1070254902 /nfs/dbraw/zinc/25/49/02/1070254902.db2.gz KAPABZYFDDQJOU-UHFFFAOYSA-N 1 1 497.692 1.858 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(N3CC[C@@](C)(C(N)=O)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502346207 1070255055 /nfs/dbraw/zinc/25/50/55/1070255055.db2.gz JTDYLNYKJAGMAD-AMDXRBSFSA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001502346448 1070256071 /nfs/dbraw/zinc/25/60/71/1070256071.db2.gz LNQLOVHWSFENGF-ANULTFPQSA-N 1 1 450.628 1.501 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502346422 1070256478 /nfs/dbraw/zinc/25/64/78/1070256478.db2.gz LLJCLRCDQGUZCA-NRFANRHFSA-N 1 1 468.650 1.596 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001502346450 1070256915 /nfs/dbraw/zinc/25/69/15/1070256915.db2.gz LNQLOVHWSFENGF-BURNTYAHSA-N 1 1 450.628 1.501 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCC(C(=O)OC)CC2)CC1 ZINC001502346812 1070258240 /nfs/dbraw/zinc/25/82/40/1070258240.db2.gz OQHLSRLQWGYRJQ-UHFFFAOYSA-N 1 1 463.627 1.223 20 0 JDADMO O=C([C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001546232933 1070259120 /nfs/dbraw/zinc/25/91/20/1070259120.db2.gz CQWLRWDQDQJVCA-FQEVSTJZSA-N 1 1 455.571 1.865 20 0 JDADMO O=C([C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)N1CCC(N2CCS(=O)(=O)CC2)CC1 ZINC001546232934 1070259211 /nfs/dbraw/zinc/25/92/11/1070259211.db2.gz CQWLRWDQDQJVCA-HXUWFJFHSA-N 1 1 455.571 1.865 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)C1 ZINC001493217976 1070263005 /nfs/dbraw/zinc/26/30/05/1070263005.db2.gz RTJVCCWFKYYFMJ-ZGXWSNOMSA-N 1 1 498.694 1.593 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346938 1070259770 /nfs/dbraw/zinc/25/97/70/1070259770.db2.gz QQHIDJJHKXFGED-NRFANRHFSA-N 1 1 469.634 1.765 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001502346914 1070259866 /nfs/dbraw/zinc/25/98/66/1070259866.db2.gz QAAOVGRCLWNGQC-DEOSSOPVSA-N 1 1 461.655 1.937 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001502347282 1070262971 /nfs/dbraw/zinc/26/29/71/1070262971.db2.gz XJGQLFJCRLLKED-ZCNNSNEGSA-N 1 1 489.690 1.750 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CC(=O)N(C)[C@@H](C)C2)C1 ZINC001493206472 1070260123 /nfs/dbraw/zinc/26/01/23/1070260123.db2.gz WGNZFOPGFAIGQI-OTWHNJEPSA-N 1 1 459.639 1.938 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)Cc2c(C)noc2C)CC1 ZINC001502347058 1070260011 /nfs/dbraw/zinc/26/00/11/1070260011.db2.gz TUJOPTLRWKBALM-GOSISDBHSA-N 1 1 472.638 1.915 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@@H](OC)C(C)(C)C2)CC1 ZINC001502347002 1070260952 /nfs/dbraw/zinc/26/09/52/1070260952.db2.gz RNTRGIFSQVWLNO-VQTJNVASSA-N 1 1 461.655 1.535 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001502347001 1070261472 /nfs/dbraw/zinc/26/14/72/1070261472.db2.gz RNTRGIFSQVWLNO-UXHICEINSA-N 1 1 461.655 1.535 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493218462 1070263188 /nfs/dbraw/zinc/26/31/88/1070263188.db2.gz VQUHLZPZXVEJGQ-CEXWTWQISA-N 1 1 468.668 1.620 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502347205 1070262819 /nfs/dbraw/zinc/26/28/19/1070262819.db2.gz WEEDKBAVAJYTCM-DVECYGJZSA-N 1 1 454.623 1.239 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001493219408 1070263465 /nfs/dbraw/zinc/26/34/65/1070263465.db2.gz QFPCNZISQRMLLM-RDGPPVDQSA-N 1 1 456.657 1.872 20 0 JDADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)C[C@H](C)C1)[NH+]1CCOCC1 ZINC001493221673 1070263885 /nfs/dbraw/zinc/26/38/85/1070263885.db2.gz ZUMVTJJWGGINMN-ZSYWTGECSA-N 1 1 456.657 1.727 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC001502348808 1070264569 /nfs/dbraw/zinc/26/45/69/1070264569.db2.gz CYLATHVRRSIHET-UHFFFAOYSA-N 1 1 498.680 1.259 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@H](OC)C2)CC1 ZINC001502349217 1070265663 /nfs/dbraw/zinc/26/56/63/1070265663.db2.gz QERLUMKVIDWRDH-IBGZPJMESA-N 1 1 456.595 1.568 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C3CCC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001502350836 1070268300 /nfs/dbraw/zinc/26/83/00/1070268300.db2.gz DWVCCWSYQPEDHR-UHFFFAOYSA-N 1 1 488.681 1.137 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001502349091 1070266116 /nfs/dbraw/zinc/26/61/16/1070266116.db2.gz NAKLSFLPXNYROX-GOSISDBHSA-N 1 1 463.652 1.849 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCOC3(CCOCC3)C2)CC1 ZINC001502349127 1070266340 /nfs/dbraw/zinc/26/63/40/1070266340.db2.gz NSCMZNKNLNMGHL-UHFFFAOYSA-N 1 1 477.654 1.220 20 0 JDADMO C[C@@H]1C[C@@H](C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001493249242 1070266764 /nfs/dbraw/zinc/26/67/64/1070266764.db2.gz WABNULOSHXWJOE-GUDVDZBRSA-N 1 1 452.625 1.355 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001502349286 1070267252 /nfs/dbraw/zinc/26/72/52/1070267252.db2.gz SGHWSNYGNJPWCE-GOSISDBHSA-N 1 1 461.014 1.723 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(-c3cnn(C)c3)nnc2N2CCC(OCC(N)=O)CC2)C1 ZINC001493263943 1070268661 /nfs/dbraw/zinc/26/86/61/1070268661.db2.gz RMSMLSUSQIGQBE-KDURUIRLSA-N 1 1 472.638 1.907 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502350723 1070268815 /nfs/dbraw/zinc/26/88/15/1070268815.db2.gz ASRTVCMCRDDKPT-FQEVSTJZSA-N 1 1 490.678 1.228 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001502349480 1070268887 /nfs/dbraw/zinc/26/88/87/1070268887.db2.gz ZVWJSQJSNBKMFD-UHFFFAOYSA-N 1 1 469.700 1.679 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccc(C)o3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001502349449 1070269314 /nfs/dbraw/zinc/26/93/14/1070269314.db2.gz YQTAXFMHDJADII-LJQANCHMSA-N 1 1 464.636 1.888 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264492 1070269860 /nfs/dbraw/zinc/26/98/60/1070269860.db2.gz DPGDAKRIBUYUTJ-OTWHNJEPSA-N 1 1 483.683 1.254 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001502351036 1070270169 /nfs/dbraw/zinc/27/01/69/1070270169.db2.gz JZKJJRODCHLHHE-VXKWHMMOSA-N 1 1 461.655 1.552 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C)n3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502351062 1070270413 /nfs/dbraw/zinc/27/04/13/1070270413.db2.gz KQJRMZRKCSHEQC-HXUWFJFHSA-N 1 1 454.623 1.733 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C)C2)C1 ZINC001493264187 1070270313 /nfs/dbraw/zinc/27/03/13/1070270313.db2.gz CKPHQXCKLXAZHZ-JSXRDJHFSA-N 1 1 498.694 1.594 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264743 1070270669 /nfs/dbraw/zinc/27/06/69/1070270669.db2.gz VBTGXDNEPOIDRK-RDGPPVDQSA-N 1 1 483.683 1.313 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502351411 1070271514 /nfs/dbraw/zinc/27/15/14/1070271514.db2.gz VGRWBFYOQIZTPZ-SFTDATJTSA-N 1 1 459.639 1.941 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cccn3C)nnc2N2C[C@H](COC)O[C@@H](C)C2)CC1 ZINC001502351408 1070271735 /nfs/dbraw/zinc/27/17/35/1070271735.db2.gz VGRWBFYOQIZTPZ-LEWJYISDSA-N 1 1 459.639 1.941 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C3CCCC3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502351397 1070271877 /nfs/dbraw/zinc/27/18/77/1070271877.db2.gz UYZOZSMAORFRIU-FQEVSTJZSA-N 1 1 452.669 1.977 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCNC(=O)CC2)C1 ZINC001493267537 1070271825 /nfs/dbraw/zinc/27/18/25/1070271825.db2.gz WVSNDLWTBRUFRV-HDICACEKSA-N 1 1 454.579 1.620 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c(CC(C)(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)C1 ZINC001493267217 1070271992 /nfs/dbraw/zinc/27/19/92/1070271992.db2.gz VDFFQQDHUVVEAA-HSALFYBXSA-N 1 1 473.666 1.772 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC(C)(C)C)CC1 ZINC001502351400 1070272058 /nfs/dbraw/zinc/27/20/58/1070272058.db2.gz VCGBLOLWNWXGGK-HXUWFJFHSA-N 1 1 499.726 1.511 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001502352448 1070273931 /nfs/dbraw/zinc/27/39/31/1070273931.db2.gz CDAYSZXUWRKNQO-NRFANRHFSA-N 1 1 461.655 1.793 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2C[C@]3(CCOC3)OC(C)(C)C2)CC1 ZINC001502352617 1070274294 /nfs/dbraw/zinc/27/42/94/1070274294.db2.gz IYITZRKIEMOXQY-DEOSSOPVSA-N 1 1 477.654 1.218 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(NC(C)=O)CC2)CC1 ZINC001502352593 1070274509 /nfs/dbraw/zinc/27/45/09/1070274509.db2.gz IKNPHYICSYDAIL-UHFFFAOYSA-N 1 1 483.621 1.058 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502352668 1070275720 /nfs/dbraw/zinc/27/57/20/1070275720.db2.gz KVHYUQIPQDRTLM-PMVMPFDFSA-N 1 1 491.681 1.477 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(Cc3ccncc3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493280185 1070276346 /nfs/dbraw/zinc/27/63/46/1070276346.db2.gz FNDLIOQMTQEIGZ-BGYRXZFFSA-N 1 1 475.663 1.714 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)CC1 ZINC001502352771 1070276260 /nfs/dbraw/zinc/27/62/60/1070276260.db2.gz NNLXTDAAEHHAON-NRFANRHFSA-N 1 1 484.649 1.959 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)C1 ZINC001493277740 1070276703 /nfs/dbraw/zinc/27/67/03/1070276703.db2.gz ZODCDGUZHYISFV-ZGXWSNOMSA-N 1 1 484.667 1.204 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](C(=O)NC)C2)CC1 ZINC001502352907 1070276601 /nfs/dbraw/zinc/27/66/01/1070276601.db2.gz RWEWSGYMYKHYKJ-NRFANRHFSA-N 1 1 468.650 1.644 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)CC1 ZINC001502352859 1070276749 /nfs/dbraw/zinc/27/67/49/1070276749.db2.gz QMVDKZUDEMPYNS-HSZRJFAPSA-N 1 1 468.650 1.787 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCOC[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502352756 1070277082 /nfs/dbraw/zinc/27/70/82/1070277082.db2.gz NCJGVXNVCXASNW-XUZZJYLKSA-N 1 1 464.655 1.962 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCOC[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001502352755 1070277334 /nfs/dbraw/zinc/27/73/34/1070277334.db2.gz NCJGVXNVCXASNW-URXFXBBRSA-N 1 1 464.655 1.962 20 0 JDADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001493284698 1070278737 /nfs/dbraw/zinc/27/87/37/1070278737.db2.gz ZUKPAKXYBXYBCW-QHAWAJNXSA-N 1 1 489.665 1.671 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3cccnc3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502353096 1070279783 /nfs/dbraw/zinc/27/97/83/1070279783.db2.gz YLERHIRLOCGWRB-UHFFFAOYSA-N 1 1 489.690 1.695 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CCC([C@]4(C)NC(=O)NC4=O)CC3)nnc2C(C)(C)C)CC1 ZINC001502353085 1070279942 /nfs/dbraw/zinc/27/99/42/1070279942.db2.gz YAFGCGAHABYUPC-VWLOTQADSA-N 1 1 488.681 1.808 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502354152 1070280647 /nfs/dbraw/zinc/28/06/47/1070280647.db2.gz ATKSNMYRJLASJG-HXUWFJFHSA-N 1 1 499.660 1.952 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2C2CCC2)CC1 ZINC001502354775 1070283323 /nfs/dbraw/zinc/28/33/23/1070283323.db2.gz NKDUZEJVOULLDR-QUCCMNQESA-N 1 1 467.684 1.685 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001502355009 1070283427 /nfs/dbraw/zinc/28/34/27/1070283427.db2.gz RGQFQTQYYJQGAL-PMACEKPBSA-N 1 1 469.700 1.788 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502355007 1070284053 /nfs/dbraw/zinc/28/40/53/1070284053.db2.gz RGFCDYCNQLZELA-DEOSSOPVSA-N 1 1 455.607 1.683 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 ZINC001502355008 1070284520 /nfs/dbraw/zinc/28/45/20/1070284520.db2.gz RGFCDYCNQLZELA-XMMPIXPASA-N 1 1 455.607 1.683 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001502354811 1070284783 /nfs/dbraw/zinc/28/47/83/1070284783.db2.gz OBZMDXNIFVYIMW-UXHICEINSA-N 1 1 499.726 1.700 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502355174 1070286019 /nfs/dbraw/zinc/28/60/19/1070286019.db2.gz UDJKMEYRWWURDX-LJQANCHMSA-N 1 1 455.607 1.648 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502355163 1070286425 /nfs/dbraw/zinc/28/64/25/1070286425.db2.gz UAJRGPIUVFQAHR-CEXWTWQISA-N 1 1 455.673 1.398 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502355274 1070287960 /nfs/dbraw/zinc/28/79/60/1070287960.db2.gz VNYJORIWSOKXHX-UHFFFAOYSA-N 1 1 471.606 1.316 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502355928 1070288115 /nfs/dbraw/zinc/28/81/15/1070288115.db2.gz COWSYRCQMHCZMM-TZIWHRDSSA-N 1 1 471.606 1.036 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001493313601 1070288217 /nfs/dbraw/zinc/28/82/17/1070288217.db2.gz OHNGIFXCGBHQPS-VXNCWWDNSA-N 1 1 454.641 1.766 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502355340 1070288949 /nfs/dbraw/zinc/28/89/49/1070288949.db2.gz WKMNBNVFGKDZJN-TZIWHRDSSA-N 1 1 491.036 1.986 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001502357111 1070291264 /nfs/dbraw/zinc/29/12/64/1070291264.db2.gz WUOMGCHEJCQLHO-UHFFFAOYSA-N 1 1 468.650 1.183 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccnc3)nnc2N(C)C[C@@H]2CCN(C(C)=O)C2)CC1 ZINC001502357168 1070291326 /nfs/dbraw/zinc/29/13/26/1070291326.db2.gz YBCPPKRUCGJFLV-NRFANRHFSA-N 1 1 454.623 1.672 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502356983 1070292069 /nfs/dbraw/zinc/29/20/69/1070292069.db2.gz VJLQOZMDCAWNRQ-UHFFFAOYSA-N 1 1 455.611 1.115 20 0 JDADMO CCN1CC[NH+](CCCn2c(C3CCC3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC001502356572 1070292175 /nfs/dbraw/zinc/29/21/75/1070292175.db2.gz POAMQTIZNBSXDH-HXUWFJFHSA-N 1 1 481.711 1.681 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3cccnc3)nnc2N2C[C@H](C)O[C@H](COC)C2)CC1 ZINC001502357943 1070293193 /nfs/dbraw/zinc/29/31/93/1070293193.db2.gz GRGKIGGIDAUILA-UNMCSNQZSA-N 1 1 457.623 1.532 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CCCOC3)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502358812 1070297651 /nfs/dbraw/zinc/29/76/51/1070297651.db2.gz QTUSECPRLJVAIB-FQEVSTJZSA-N 1 1 482.695 1.603 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC001493342298 1070295644 /nfs/dbraw/zinc/29/56/44/1070295644.db2.gz PUIHKJJEFVUSPM-RLLQIKCJSA-N 1 1 474.631 1.763 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCS(C)(=O)=O)CC[N@H+]1Cc1ccccc1 ZINC001493342298 1070295685 /nfs/dbraw/zinc/29/56/85/1070295685.db2.gz PUIHKJJEFVUSPM-RLLQIKCJSA-N 1 1 474.631 1.763 20 0 JDADMO C[C@@H]1C[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)N(C)C)CC[N@H+]1Cc1ccccc1 ZINC001493343107 1070296164 /nfs/dbraw/zinc/29/61/64/1070296164.db2.gz SIAASIMVCLGVBF-RLLQIKCJSA-N 1 1 453.591 1.807 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001502358898 1070297794 /nfs/dbraw/zinc/29/77/94/1070297794.db2.gz RTAMFRBSOLTDMV-FGZHOGPDSA-N 1 1 475.682 1.798 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(C(=O)NC)C2)CC1 ZINC001502358742 1070298125 /nfs/dbraw/zinc/29/81/25/1070298125.db2.gz PTBPSDIWVPAWHD-SANMLTNESA-N 1 1 483.661 1.868 20 0 JDADMO CC(C)[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001493401080 1070298593 /nfs/dbraw/zinc/29/85/93/1070298593.db2.gz DXNJLHXXXRZCNS-FCGDIQPGSA-N 1 1 456.657 1.870 20 0 JDADMO CC(C)[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC[C@@H]1C)[NH+]1CCOCC1 ZINC001493401084 1070298816 /nfs/dbraw/zinc/29/88/16/1070298816.db2.gz DXNJLHXXXRZCNS-YDZRNGNQSA-N 1 1 456.657 1.870 20 0 JDADMO CC(C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001493438045 1070302225 /nfs/dbraw/zinc/30/22/25/1070302225.db2.gz PUWDDAKAZFYXJD-XARGGIHNSA-N 1 1 496.722 1.582 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001502359129 1070299640 /nfs/dbraw/zinc/29/96/40/1070299640.db2.gz WSZPXFVGGUCZJS-LEWJYISDSA-N 1 1 497.710 1.121 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001493421611 1070300263 /nfs/dbraw/zinc/30/02/63/1070300263.db2.gz RUIZLAIQJQQYFU-QYZOEREBSA-N 1 1 456.657 1.966 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001493421608 1070300319 /nfs/dbraw/zinc/30/03/19/1070300319.db2.gz RUIZLAIQJQQYFU-CEXWTWQISA-N 1 1 456.657 1.966 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CC[C@@](C)(C(=O)NC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502359964 1070301622 /nfs/dbraw/zinc/30/16/22/1070301622.db2.gz HEUDIHHNYVZNFM-JWQCQUIFSA-N 1 1 491.681 1.309 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(C)(=O)=O)CC1 ZINC001493437913 1070302571 /nfs/dbraw/zinc/30/25/71/1070302571.db2.gz PICMNXRVNBYNGO-HSALFYBXSA-N 1 1 483.683 1.064 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001502360765 1070302668 /nfs/dbraw/zinc/30/26/68/1070302668.db2.gz RBVGWNFKPLHQCF-WOZUAGRISA-N 1 1 450.628 1.643 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)CC1 ZINC001493438172 1070303232 /nfs/dbraw/zinc/30/32/32/1070303232.db2.gz QWEMBMQUYBMYOQ-BGYRXZFFSA-N 1 1 490.678 1.274 20 0 JDADMO CCN1CC[NH+](CCCn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502361030 1070303388 /nfs/dbraw/zinc/30/33/88/1070303388.db2.gz YDAACOQCYLZWNW-UHFFFAOYSA-N 1 1 469.634 1.780 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCC(C(=O)NCCOC)CC3)nnc2C(C)(C)C)CC1 ZINC001502360873 1070303929 /nfs/dbraw/zinc/30/39/29/1070303929.db2.gz SMOORCWAZBEDCU-UHFFFAOYSA-N 1 1 463.671 1.582 20 0 JDADMO CC1CCC(NC(=O)CN2CCN(c3nnc(C(C)(C)C)n3C[C@@]3(O)CC[N@@H+](C)C3)CC2)CC1 ZINC001493492710 1070308340 /nfs/dbraw/zinc/30/83/40/1070308340.db2.gz YVFNSUSUVHSEDY-OZTQUORISA-N 1 1 475.682 1.459 20 0 JDADMO CCn1nc(-c2nnc(N(C)CCOC)n2C[C@H](C)C[NH+]2CCOCC2)c2ccccc2c1=O ZINC001502362955 1070308428 /nfs/dbraw/zinc/30/84/28/1070308428.db2.gz PUJTXAAGUXFWQO-GOSISDBHSA-N 1 1 469.590 1.726 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001502368511 1070316040 /nfs/dbraw/zinc/31/60/40/1070316040.db2.gz LOKMHDZMCJKBMD-LJQANCHMSA-N 1 1 475.638 1.225 20 0 JDADMO C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001493560270 1070316485 /nfs/dbraw/zinc/31/64/85/1070316485.db2.gz FRSJREQUZVLLIM-MSYCTHLASA-N 1 1 498.694 1.473 20 0 JDADMO C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001493560271 1070316739 /nfs/dbraw/zinc/31/67/39/1070316739.db2.gz FRSJREQUZVLLIM-PWHSHALESA-N 1 1 498.694 1.473 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)C1 ZINC001493646707 1070323353 /nfs/dbraw/zinc/32/33/53/1070323353.db2.gz CXEPLGKZJOKUOH-WOJBJXKFSA-N 1 1 480.679 1.926 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502379332 1070323561 /nfs/dbraw/zinc/32/35/61/1070323561.db2.gz BWPHSBMHMNSZBG-BGYRXZFFSA-N 1 1 485.681 1.836 20 0 JDADMO C[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001493630083 1070321299 /nfs/dbraw/zinc/32/12/99/1070321299.db2.gz BQWADJCGATXDBV-OALUTQOASA-N 1 1 452.669 1.833 20 0 JDADMO C[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493638721 1070322764 /nfs/dbraw/zinc/32/27/64/1070322764.db2.gz LQOOACHOHIGJKX-VQTJNVASSA-N 1 1 459.639 1.970 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502384269 1070328585 /nfs/dbraw/zinc/32/85/85/1070328585.db2.gz LMTGRNHSWDUCGO-QHAWAJNXSA-N 1 1 475.682 1.939 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493652534 1070326070 /nfs/dbraw/zinc/32/60/70/1070326070.db2.gz PZJRXZPKNWQLIV-RBUKOAKNSA-N 1 1 496.678 1.306 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O ZINC001493663011 1070326454 /nfs/dbraw/zinc/32/64/54/1070326454.db2.gz NKFKGQLCTSJOSV-SFHVURJKSA-N 1 1 454.641 1.650 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493667715 1070328786 /nfs/dbraw/zinc/32/87/86/1070328786.db2.gz OPZOZQKOOSBXPF-NHCUHLMSSA-N 1 1 461.655 1.647 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001493654103 1070326572 /nfs/dbraw/zinc/32/65/72/1070326572.db2.gz ZRLPZAQBBZJGRV-HKUYNNGSSA-N 1 1 466.652 1.897 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493661183 1070326870 /nfs/dbraw/zinc/32/68/70/1070326870.db2.gz HUBUIAPEXOCXOP-HKUYNNGSSA-N 1 1 474.631 1.925 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O ZINC001493663010 1070326919 /nfs/dbraw/zinc/32/69/19/1070326919.db2.gz NKFKGQLCTSJOSV-GOSISDBHSA-N 1 1 454.641 1.650 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001502382481 1070326977 /nfs/dbraw/zinc/32/69/77/1070326977.db2.gz XXNKVLIQSZRAND-FQEVSTJZSA-N 1 1 491.681 1.715 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001502382481 1070326993 /nfs/dbraw/zinc/32/69/93/1070326993.db2.gz XXNKVLIQSZRAND-FQEVSTJZSA-N 1 1 491.681 1.715 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 ZINC001493666288 1070327619 /nfs/dbraw/zinc/32/76/19/1070327619.db2.gz HPUBSFWIVGVPEN-MJGOQNOKSA-N 1 1 454.641 1.864 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001493672879 1070329421 /nfs/dbraw/zinc/32/94/21/1070329421.db2.gz CTBFIROFEPFWSX-RTBURBONSA-N 1 1 454.641 1.866 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493677326 1070330685 /nfs/dbraw/zinc/33/06/85/1070330685.db2.gz RNOYCTPMGFAQNE-ROUUACIJSA-N 1 1 483.683 1.397 20 0 JDADMO 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CCc1ccc([C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)CCO2)cc1 ZINC001546237870 1070386162 /nfs/dbraw/zinc/38/61/62/1070386162.db2.gz XBERCRZHMLDPDH-FCHUYYIVSA-N 1 1 491.658 1.899 20 0 JDADMO CCc1ccc([C@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)CCO2)cc1 ZINC001546237870 1070386185 /nfs/dbraw/zinc/38/61/85/1070386185.db2.gz XBERCRZHMLDPDH-FCHUYYIVSA-N 1 1 491.658 1.899 20 0 JDADMO CCc1ccc([C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@H+](C)CCOC)CCO2)cc1 ZINC001546237872 1070386327 /nfs/dbraw/zinc/38/63/27/1070386327.db2.gz XBERCRZHMLDPDH-VXKWHMMOSA-N 1 1 491.658 1.899 20 0 JDADMO CCc1ccc([C@@H]2CN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC[N@@H+](C)CCOC)CCO2)cc1 ZINC001546237872 1070386344 /nfs/dbraw/zinc/38/63/44/1070386344.db2.gz XBERCRZHMLDPDH-VXKWHMMOSA-N 1 1 491.658 1.899 20 0 JDADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001502432266 1070386584 /nfs/dbraw/zinc/38/65/84/1070386584.db2.gz BDVLJMILLDYTQB-QFIPXVFZSA-N 1 1 453.635 1.920 20 0 JDADMO CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC[N@@H+](CC)C2)CC1 ZINC001502432285 1070386731 /nfs/dbraw/zinc/38/67/31/1070386731.db2.gz BVURKMCZYVDBRT-FQEVSTJZSA-N 1 1 469.634 1.477 20 0 JDADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494084865 1070386968 /nfs/dbraw/zinc/38/69/68/1070386968.db2.gz FYWXPQRNVBXXPL-YESZJQIVSA-N 1 1 472.594 1.513 20 0 JDADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494084865 1070386985 /nfs/dbraw/zinc/38/69/85/1070386985.db2.gz FYWXPQRNVBXXPL-YESZJQIVSA-N 1 1 472.594 1.513 20 0 JDADMO C[C@@H](CC(N)=O)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494084864 1070387370 /nfs/dbraw/zinc/38/73/70/1070387370.db2.gz FYWXPQRNVBXXPL-GVDBMIGSSA-N 1 1 472.594 1.513 20 0 JDADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cnccn2)C[C@H](C)O1 ZINC001494086971 1070388047 /nfs/dbraw/zinc/38/80/47/1070388047.db2.gz MOTNIKNOYCBBMT-ROUUACIJSA-N 1 1 456.595 1.828 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3oncc3C2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494086113 1070388164 /nfs/dbraw/zinc/38/81/64/1070388164.db2.gz JARYODVFMPWYPP-OWCLPIDISA-N 1 1 481.623 1.327 20 0 JDADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494088720 1070388680 /nfs/dbraw/zinc/38/86/80/1070388680.db2.gz XLDSEMNSLDYYQG-KSZLIROESA-N 1 1 461.611 1.104 20 0 JDADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494088720 1070388694 /nfs/dbraw/zinc/38/86/94/1070388694.db2.gz XLDSEMNSLDYYQG-KSZLIROESA-N 1 1 461.611 1.104 20 0 JDADMO CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001494088598 1070388831 /nfs/dbraw/zinc/38/88/31/1070388831.db2.gz VKRGOWBGPAWHCE-OALUTQOASA-N 1 1 477.654 1.610 20 0 JDADMO C[C@@H]1C[N@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001494088935 1070388861 /nfs/dbraw/zinc/38/88/61/1070388861.db2.gz YYORXYOIABDBCB-OTWHNJEPSA-N 1 1 475.638 1.494 20 0 JDADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)C[C@H](C)O1 ZINC001494088935 1070388880 /nfs/dbraw/zinc/38/88/80/1070388880.db2.gz YYORXYOIABDBCB-OTWHNJEPSA-N 1 1 475.638 1.494 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCn2cccn2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494088949 1070390794 /nfs/dbraw/zinc/39/07/94/1070390794.db2.gz ZCHAQSNPQHXVHX-KSZLIROESA-N 1 1 482.655 1.109 20 0 JDADMO C[C@H]1C[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC001494088717 1070389434 /nfs/dbraw/zinc/38/94/34/1070389434.db2.gz XLDSEMNSLDYYQG-BZSNNMDCSA-N 1 1 461.611 1.104 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC[C@@H]32)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494088997 1070389811 /nfs/dbraw/zinc/38/98/11/1070389811.db2.gz ZWCSVLDDSDZYJX-ADHGMGHFSA-N 1 1 454.641 1.765 20 0 JDADMO C[C@@H]1C[N@@H+](C(C)(C)Cn2c(-c3cnccn3)nnc2N(C)CC(=O)NC(C)(C)C)C[C@H](C)O1 ZINC001494094216 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1070399896 /nfs/dbraw/zinc/39/98/96/1070399896.db2.gz SRYSAJUEYMLENN-FKEBYFGASA-N 1 1 491.681 1.381 20 0 JDADMO CCNC(=O)N1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[NH+]2CCSCC2)CC1 ZINC001502438050 1070406210 /nfs/dbraw/zinc/40/62/10/1070406210.db2.gz JWMNYZJBRJYMMQ-UHFFFAOYSA-N 1 1 466.656 1.097 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001502440496 1070411396 /nfs/dbraw/zinc/41/13/96/1070411396.db2.gz ANDWOHNLWBQSHK-UFYCRDLUSA-N 1 1 465.643 1.974 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001502440497 1070411944 /nfs/dbraw/zinc/41/19/44/1070411944.db2.gz ANDWOHNLWBQSHK-ZCNNSNEGSA-N 1 1 465.643 1.974 20 0 JDADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CCc2ccccc2)n1CCCC[N@H+]1CCC[C@@H]1CO ZINC001494129661 1070416804 /nfs/dbraw/zinc/41/68/04/1070416804.db2.gz PFKOROUFSOBEGR-RBBKRZOGSA-N 1 1 454.619 1.967 20 0 JDADMO C[C@H]1CN(C)C(=O)CN1c1nnc(CC2CCCC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001494130751 1070421228 /nfs/dbraw/zinc/42/12/28/1070421228.db2.gz WAXIFZOHEDVQCH-AZUAARDMSA-N 1 1 459.639 1.620 20 0 JDADMO C[C@@H]1CN(C)C(=O)CN1c1nnc(CCOc2ccccc2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001494131275 1070421374 /nfs/dbraw/zinc/42/13/74/1070421374.db2.gz XSMQBOVMPXTGBG-UXHICEINSA-N 1 1 456.591 1.413 20 0 JDADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSC(F)(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494142274 1070439051 /nfs/dbraw/zinc/43/90/51/1070439051.db2.gz UNAQXRIGGVEXCS-LSDHHAIUSA-N 1 1 462.542 1.924 20 0 JDADMO C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494143390 1070440813 /nfs/dbraw/zinc/44/08/13/1070440813.db2.gz YOKKATNAMKRJBL-IRXDYDNUSA-N 1 1 456.538 1.343 20 0 JDADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)C[C@@H]1[NH+]1CCOCC1 ZINC001494149878 1070443857 /nfs/dbraw/zinc/44/38/57/1070443857.db2.gz GKGTYFJYBFACDD-CVEARBPZSA-N 1 1 465.505 1.712 20 0 JDADMO C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)C[C@H]1[NH+]1CCOCC1 ZINC001494149885 1070443933 /nfs/dbraw/zinc/44/39/33/1070443933.db2.gz GKGTYFJYBFACDD-JKSUJKDBSA-N 1 1 465.505 1.712 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001502451267 1070445314 /nfs/dbraw/zinc/44/53/14/1070445314.db2.gz AKRWJKXBXGGSAI-UXHICEINSA-N 1 1 463.627 1.728 20 0 JDADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOC(C)(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001494150805 1070445530 /nfs/dbraw/zinc/44/55/30/1070445530.db2.gz MUFUDOUZVGRPCF-QZTJIDSGSA-N 1 1 457.579 1.897 20 0 JDADMO C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001494150382 1070445614 /nfs/dbraw/zinc/44/56/14/1070445614.db2.gz KADNPMUYDMIDLE-RTBURBONSA-N 1 1 484.605 1.483 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC001502451542 1070446934 /nfs/dbraw/zinc/44/69/34/1070446934.db2.gz DYCFTCAIRDCFKR-OAQYLSRUSA-N 1 1 482.633 1.969 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+](CC)CCC(F)(F)F)CC1 ZINC001502451705 1070447569 /nfs/dbraw/zinc/44/75/69/1070447569.db2.gz FUKZRLWFKLJFAK-OAHLLOKOSA-N 1 1 474.532 1.355 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502451982 1070449368 /nfs/dbraw/zinc/44/93/68/1070449368.db2.gz MILKHBPEWFFSNB-OTWHNJEPSA-N 1 1 474.654 1.837 20 0 JDADMO CCNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC001502452287 1070452629 /nfs/dbraw/zinc/45/26/29/1070452629.db2.gz UHMAPUNVSLPHAB-VQTJNVASSA-N 1 1 463.627 1.872 20 0 JDADMO C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@]2(CCOC2)O1 ZINC001494169276 1070453740 /nfs/dbraw/zinc/45/37/40/1070453740.db2.gz OYZZIFSESGEDRN-KHCICDEESA-N 1 1 462.639 1.903 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccccc1C[NH+]1CCOCC1 ZINC001494187221 1070455606 /nfs/dbraw/zinc/45/56/06/1070455606.db2.gz BFQKRCRUVHESCN-CEXWTWQISA-N 1 1 492.646 1.382 20 0 JDADMO CCNC(=O)N1CCN(c2nnc(CC)n2Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC001502454836 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CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001503191831 1071137314 /nfs/dbraw/zinc/13/73/14/1071137314.db2.gz KKOFAXSOBSGKOB-ZWKOTPCHSA-N 1 1 472.656 1.204 20 0 JDADMO CCOCCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001503193098 1071138686 /nfs/dbraw/zinc/13/86/86/1071138686.db2.gz AMIAOVZDTKJAJW-OAQYLSRUSA-N 1 1 452.625 1.081 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@](C)(C(N)=O)C2)n1C[C@H](C(C)C)[NH+]1CCOCC1 ZINC001504405841 1071141754 /nfs/dbraw/zinc/14/17/54/1071141754.db2.gz FNPJQJMEIAZGJJ-CJFMBICVSA-N 1 1 470.618 1.936 20 0 JDADMO CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC001503199670 1071142603 /nfs/dbraw/zinc/14/26/03/1071142603.db2.gz RJXJSSBJHQKFOM-UHFFFAOYSA-N 1 1 470.622 1.957 20 0 JDADMO CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001503199952 1071143764 /nfs/dbraw/zinc/14/37/64/1071143764.db2.gz AERQIGZLZCUMGT-CVEARBPZSA-N 1 1 456.638 1.870 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC001504407725 1071146903 /nfs/dbraw/zinc/14/69/03/1071146903.db2.gz SRKQVVYJQSUZTI-UXHICEINSA-N 1 1 456.591 1.546 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001504408210 1071147949 /nfs/dbraw/zinc/14/79/49/1071147949.db2.gz WYFYNFYJGIMVFP-HTAPYJJXSA-N 1 1 496.534 1.449 20 0 JDADMO CCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001503210477 1071155268 /nfs/dbraw/zinc/15/52/68/1071155268.db2.gz HBTSEKBJGHTYKI-NHCUHLMSSA-N 1 1 492.646 1.358 20 0 JDADMO CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001503211341 1071157244 /nfs/dbraw/zinc/15/72/44/1071157244.db2.gz IIFPBQJDIIVASV-UHFFFAOYSA-N 1 1 455.611 1.849 20 0 JDADMO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503210115 1071153838 /nfs/dbraw/zinc/15/38/38/1071153838.db2.gz GOMMXJCGLYYCCJ-LJQANCHMSA-N 1 1 464.611 1.950 20 0 JDADMO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503210115 1071153849 /nfs/dbraw/zinc/15/38/49/1071153849.db2.gz GOMMXJCGLYYCCJ-LJQANCHMSA-N 1 1 464.611 1.950 20 0 JDADMO CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001503211948 1071158819 /nfs/dbraw/zinc/15/88/19/1071158819.db2.gz LMBMFIYFDWHTLN-GCJKJVERSA-N 1 1 472.638 1.555 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC[N@H+]1CCC[C@@H]1C ZINC001504411848 1071159319 /nfs/dbraw/zinc/15/93/19/1071159319.db2.gz VBQQJQRSAQFVEK-OALUTQOASA-N 1 1 476.647 1.832 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001503214958 1071161612 /nfs/dbraw/zinc/16/16/12/1071161612.db2.gz PQMNXGLGDIQQTH-IBGZPJMESA-N 1 1 493.653 1.833 20 0 JDADMO CCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503211924 1071158217 /nfs/dbraw/zinc/15/82/17/1071158217.db2.gz LMBMFIYFDWHTLN-AVRDEDQJSA-N 1 1 472.638 1.555 20 0 JDADMO COc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001504413449 1071164359 /nfs/dbraw/zinc/16/43/59/1071164359.db2.gz MTTQPQYHAUTMCU-FQEVSTJZSA-N 1 1 456.591 1.969 20 0 JDADMO COc1ccccc1CCn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001504413451 1071164646 /nfs/dbraw/zinc/16/46/46/1071164646.db2.gz MTTQPQYHAUTMCU-HXUWFJFHSA-N 1 1 456.591 1.969 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 ZINC001503215487 1071164685 /nfs/dbraw/zinc/16/46/85/1071164685.db2.gz GNAVAWZBFYAJNK-UHFFFAOYSA-N 1 1 498.632 1.877 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccn(C)n2)C[C@H]1CC ZINC001503216383 1071165756 /nfs/dbraw/zinc/16/57/56/1071165756.db2.gz ONBDOQYPPKESSB-HXUWFJFHSA-N 1 1 458.611 1.427 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001503216418 1071165922 /nfs/dbraw/zinc/16/59/22/1071165922.db2.gz PARFFIAJOXFLFM-UHFFFAOYSA-N 1 1 479.626 1.442 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)C)C[C@@H]1CC ZINC001503218288 1071168884 /nfs/dbraw/zinc/16/88/84/1071168884.db2.gz JHROXAQSEVPWNQ-SFHVURJKSA-N 1 1 458.563 1.699 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1CC ZINC001503217250 1071167050 /nfs/dbraw/zinc/16/70/50/1071167050.db2.gz WUKIEHAEWKYBIH-IBGZPJMESA-N 1 1 487.653 1.846 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 ZINC001503216950 1071167070 /nfs/dbraw/zinc/16/70/70/1071167070.db2.gz HUXZQWJXJAGIPB-INIZCTEOSA-N 1 1 456.638 1.465 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CC1 ZINC001503216927 1071167089 /nfs/dbraw/zinc/16/70/89/1071167089.db2.gz HIPSPGTXNXSFST-OAHLLOKOSA-N 1 1 466.384 1.473 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCOCC2)CC1 ZINC001503217076 1071167111 /nfs/dbraw/zinc/16/71/11/1071167111.db2.gz JEMCKMWYSAEMBO-UHFFFAOYSA-N 1 1 483.411 1.736 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)N(C)C)CC1 ZINC001503217903 1071168090 /nfs/dbraw/zinc/16/80/90/1071168090.db2.gz VWLMNQCSQIEAJT-UHFFFAOYSA-N 1 1 452.563 1.582 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)c(C)c2)CC1 ZINC001503217750 1071168247 /nfs/dbraw/zinc/16/82/47/1071168247.db2.gz TXTKCBTWCLQGGP-QGZVFWFLSA-N 1 1 468.599 1.543 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(F)(F)C2)CC1 ZINC001503217518 1071168267 /nfs/dbraw/zinc/16/82/67/1071168267.db2.gz PHERGFFLMMEKDF-CVEARBPZSA-N 1 1 464.583 1.482 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001503215437 1071163427 /nfs/dbraw/zinc/16/34/27/1071163427.db2.gz FOIZBXSGPPHXGB-UHFFFAOYSA-N 1 1 486.621 1.195 20 0 JDADMO COc1ccccc1CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+](C)C(C)C ZINC001504417539 1071169652 /nfs/dbraw/zinc/16/96/52/1071169652.db2.gz RCPAQZOLOFMEQD-HXUWFJFHSA-N 1 1 480.635 1.596 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCS(=O)(=O)NC)CC1 ZINC001503218535 1071171230 /nfs/dbraw/zinc/17/12/30/1071171230.db2.gz MYVQIRSAPCIOER-UHFFFAOYSA-N 1 1 474.990 1.445 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(N)=O)c2)C[C@@H]1CC ZINC001503219410 1071172256 /nfs/dbraw/zinc/17/22/56/1071172256.db2.gz CPZHYCWIAONQOF-FQEVSTJZSA-N 1 1 464.574 1.819 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503220501 1071174709 /nfs/dbraw/zinc/17/47/09/1071174709.db2.gz LHRUGNFNXVGPQJ-ZWKOTPCHSA-N 1 1 461.611 1.212 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CC ZINC001503220557 1071174744 /nfs/dbraw/zinc/17/47/44/1071174744.db2.gz LVTLVMDOQMNQBP-VXKWHMMOSA-N 1 1 497.644 1.916 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C[C@@H]1CC ZINC001503220565 1071174766 /nfs/dbraw/zinc/17/47/66/1071174766.db2.gz LWWHPMSKDCQVOY-NRFANRHFSA-N 1 1 474.654 1.727 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CO)c2)C[C@H]1CC ZINC001503221573 1071177943 /nfs/dbraw/zinc/17/79/43/1071177943.db2.gz TUKYIWGEPQDEBW-RTWAWAEBSA-N 1 1 456.591 1.707 20 0 JDADMO COc1ccccc1C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(C)O)CC1 ZINC001504423547 1071178886 /nfs/dbraw/zinc/17/88/86/1071178886.db2.gz KHMXCUFWIGOHLX-UHFFFAOYSA-N 1 1 456.591 1.892 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2[C@@H]2C[C@H]2CF)CC1 ZINC001503221038 1071175733 /nfs/dbraw/zinc/17/57/33/1071175733.db2.gz OXJHJRMVHSDDFC-AZUAARDMSA-N 1 1 480.610 1.884 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001503220876 1071175935 /nfs/dbraw/zinc/17/59/35/1071175935.db2.gz YXQZFCOFACYHKJ-SFHVURJKSA-N 1 1 471.528 1.695 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)NC(C)(C)C)CC1 ZINC001503220924 1071176044 /nfs/dbraw/zinc/17/60/44/1071176044.db2.gz MWKJEZHDTUIIRZ-UHFFFAOYSA-N 1 1 475.594 1.469 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC(C)(C)O)CC1 ZINC001503221226 1071176981 /nfs/dbraw/zinc/17/69/81/1071176981.db2.gz QPWSKMZOROBWBG-UHFFFAOYSA-N 1 1 469.590 1.604 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C[C@@H]1CC ZINC001503222315 1071182400 /nfs/dbraw/zinc/18/24/00/1071182400.db2.gz YUKWEWZWZQZUDL-UPTQXZAWSA-N 1 1 461.636 1.973 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C[C@@H]1CC ZINC001503222315 1071182409 /nfs/dbraw/zinc/18/24/09/1071182409.db2.gz YUKWEWZWZQZUDL-UPTQXZAWSA-N 1 1 461.636 1.973 20 0 JDADMO CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C[C@H]1CC ZINC001503222313 1071182907 /nfs/dbraw/zinc/18/29/07/1071182907.db2.gz YUKWEWZWZQZUDL-CVCYQNGTSA-N 1 1 461.636 1.973 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C[C@H]1CC ZINC001503222313 1071182934 /nfs/dbraw/zinc/18/29/34/1071182934.db2.gz YUKWEWZWZQZUDL-CVCYQNGTSA-N 1 1 461.636 1.973 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(NC(C)=O)c2)CC1 ZINC001503222648 1071183879 /nfs/dbraw/zinc/18/38/79/1071183879.db2.gz JGHZWPKSFBWZME-UHFFFAOYSA-N 1 1 469.590 1.566 20 0 JDADMO COc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)([NH+]2CCOCC2)C1 ZINC001504425929 1071184999 /nfs/dbraw/zinc/18/49/99/1071184999.db2.gz VZAKNLYSAPJIBG-VGOFRKELSA-N 1 1 478.619 1.246 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)C[C@H]1CC ZINC001503222745 1071185228 /nfs/dbraw/zinc/18/52/28/1071185228.db2.gz KCVSMDNPZSQDAN-QGZVFWFLSA-N 1 1 462.624 1.546 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)C[C@H]1CC ZINC001503223447 1071187510 /nfs/dbraw/zinc/18/75/10/1071187510.db2.gz NDHAULLWPDZHJU-OAQYLSRUSA-N 1 1 499.664 1.477 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@@H]1CC ZINC001503223575 1071187684 /nfs/dbraw/zinc/18/76/84/1071187684.db2.gz NMKQFUSHGVHVQK-WOZUAGRISA-N 1 1 451.612 1.771 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCOCC2)C[C@@H]1CC ZINC001503223563 1071188161 /nfs/dbraw/zinc/18/81/61/1071188161.db2.gz RTSZLPYJKKHTFT-NRFANRHFSA-N 1 1 458.607 1.743 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001503224323 1071191758 /nfs/dbraw/zinc/19/17/58/1071191758.db2.gz YQWVWQKSPRFWKE-UHFFFAOYSA-N 1 1 482.633 1.837 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1CC ZINC001503223594 1071188332 /nfs/dbraw/zinc/18/83/32/1071188332.db2.gz NQLBPGNOXKQVNK-GOTSBHOMSA-N 1 1 491.681 1.273 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)C[C@@H]1CC ZINC001503223446 1071188543 /nfs/dbraw/zinc/18/85/43/1071188543.db2.gz NDHAULLWPDZHJU-NRFANRHFSA-N 1 1 499.664 1.477 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1CC ZINC001503223596 1071189641 /nfs/dbraw/zinc/18/96/41/1071189641.db2.gz NQLBPGNOXKQVNK-XZOQPEGZSA-N 1 1 491.681 1.273 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C[C@H]1CC ZINC001503223673 1071189825 /nfs/dbraw/zinc/18/98/25/1071189825.db2.gz OYJOBTUUELXWEL-VQTJNVASSA-N 1 1 478.638 1.391 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1CC ZINC001503223669 1071189876 /nfs/dbraw/zinc/18/98/76/1071189876.db2.gz OYJOBTUUELXWEL-PMACEKPBSA-N 1 1 478.638 1.391 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCOC[C@H]2C)C[C@@H]1CC ZINC001503224468 1071192060 /nfs/dbraw/zinc/19/20/60/1071192060.db2.gz BVRCJFFUUVXUTB-QHAWAJNXSA-N 1 1 450.628 1.787 20 0 JDADMO COc1ccccc1OCc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[NH+]1CCCCC1 ZINC001504430040 1071191352 /nfs/dbraw/zinc/19/13/52/1071191352.db2.gz QLCMTMRSVIBKMI-GOSISDBHSA-N 1 1 463.604 1.975 20 0 JDADMO CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224506 1071192353 /nfs/dbraw/zinc/19/23/53/1071192353.db2.gz UHMSNTKGERSHSS-FCHUYYIVSA-N 1 1 478.682 1.954 20 0 JDADMO 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CCN1CC[NH+]([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502309398 1070065704 /nfs/dbraw/zinc/06/57/04/1070065704.db2.gz DHPQTYMDUJPQBM-FCGDIQPGSA-N 1 1 455.673 1.397 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOC[C@H](C3CCC3)C2)CC1 ZINC001502309267 1070066065 /nfs/dbraw/zinc/06/60/65/1070066065.db2.gz ASWXHZKJWPGGMK-SVFBPWRDSA-N 1 1 497.710 1.167 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001502309399 1070066352 /nfs/dbraw/zinc/06/63/52/1070066352.db2.gz DHPQTYMDUJPQBM-HCXYKTFWSA-N 1 1 455.673 1.397 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(-c4cccnc4)n3CCC(=O)NC)CC2)CC1 ZINC001502308711 1070063157 /nfs/dbraw/zinc/06/31/57/1070063157.db2.gz FZCSSUOXAHYQLS-UHFFFAOYSA-N 1 1 468.606 1.247 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc(C4CC4)n3C[C@](C)(O)CCOC)CC2)CC1 ZINC001502309857 1070069195 /nfs/dbraw/zinc/06/91/95/1070069195.db2.gz OASQREBWAVZFHJ-XMMPIXPASA-N 1 1 462.639 1.714 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502310006 1070069992 /nfs/dbraw/zinc/06/99/92/1070069992.db2.gz QUGKYQFXKZDUBU-ZWKOTPCHSA-N 1 1 491.662 1.183 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C(C)C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502309433 1070067373 /nfs/dbraw/zinc/06/73/73/1070067373.db2.gz FMHHYONDLAQCQJ-IBGZPJMESA-N 1 1 484.649 1.969 20 0 JDADMO CCN1CC[NH+](CC(C)(C)NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 ZINC001478958836 1070072715 /nfs/dbraw/zinc/07/27/15/1070072715.db2.gz LSXPHOBCNOQUBP-UHFFFAOYSA-N 1 1 455.401 1.289 20 0 JDADMO CC[NH+]1CCN(C(=O)CC2CCN(c3nnc([C@H]4CCCOC4)n3CC(=O)NC(C)C)CC2)CC1 ZINC001502310392 1070073060 /nfs/dbraw/zinc/07/30/60/1070073060.db2.gz YPLOXLLSTHXGOH-NRFANRHFSA-N 1 1 489.665 1.467 20 0 JDADMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC001478969748 1070073834 /nfs/dbraw/zinc/07/38/34/1070073834.db2.gz DDKHDRGULOYHSY-KRWDZBQOSA-N 1 1 456.374 1.801 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N(C)OC)CC1 ZINC001502310921 1070075825 /nfs/dbraw/zinc/07/58/25/1070075825.db2.gz JFFAODOGKQJKFG-KRWDZBQOSA-N 1 1 465.624 1.219 20 0 JDADMO CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001478970695 1070074401 /nfs/dbraw/zinc/07/44/01/1070074401.db2.gz OGTJELSZHQHBMX-NQIIRXRSSA-N 1 1 459.591 1.210 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502310622 1070074896 /nfs/dbraw/zinc/07/48/96/1070074896.db2.gz CTOPRMAQWQTGRZ-OAHLLOKOSA-N 1 1 479.427 1.340 20 0 JDADMO CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC001478971758 1070074906 /nfs/dbraw/zinc/07/49/06/1070074906.db2.gz RUQXHRWXLQYIHX-SFHVURJKSA-N 1 1 453.584 1.136 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC001502311400 1070079163 /nfs/dbraw/zinc/07/91/63/1070079163.db2.gz RTZIHYOQUJOILU-YSZBQJHXSA-N 1 1 488.633 1.838 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502310923 1070076897 /nfs/dbraw/zinc/07/68/97/1070076897.db2.gz JGGSBGHYEFNMLD-DLBZAZTESA-N 1 1 461.014 1.686 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502310943 1070077019 /nfs/dbraw/zinc/07/70/19/1070077019.db2.gz JPSZKPJWXAMJDD-ICSRJNTNSA-N 1 1 455.607 1.681 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502310926 1070077728 /nfs/dbraw/zinc/07/77/28/1070077728.db2.gz JGGSBGHYEFNMLD-SJORKVTESA-N 1 1 461.014 1.686 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN([C@H](C)C(F)(F)F)CC2)CC1 ZINC001502312888 1070084361 /nfs/dbraw/zinc/08/43/61/1070084361.db2.gz UQVDZURAHFAMPC-ZWKOTPCHSA-N 1 1 483.587 1.777 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001502311734 1070080813 /nfs/dbraw/zinc/08/08/13/1070080813.db2.gz YPGPOBCRXHSBAG-OALUTQOASA-N 1 1 455.607 1.647 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502312477 1070083217 /nfs/dbraw/zinc/08/32/17/1070083217.db2.gz MYUJZIZXNWTABU-FQEVSTJZSA-N 1 1 459.614 1.879 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC001502312436 1070083337 /nfs/dbraw/zinc/08/33/37/1070083337.db2.gz MBQZFHBRBJNNKE-LJQANCHMSA-N 1 1 492.694 1.170 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502312305 1070083397 /nfs/dbraw/zinc/08/33/97/1070083397.db2.gz JSXHZQOUJQKROG-IBGZPJMESA-N 1 1 457.627 1.009 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3ccccc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001502312642 1070084086 /nfs/dbraw/zinc/08/40/86/1070084086.db2.gz PTHOLXZIXPTDFE-UXHICEINSA-N 1 1 475.663 1.441 20 0 JDADMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC001479077456 1070085554 /nfs/dbraw/zinc/08/55/54/1070085554.db2.gz XUGOSTXASOZXJE-QZTJIDSGSA-N 1 1 451.612 1.970 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](OCCOC)C2)CC1 ZINC001502313008 1070086151 /nfs/dbraw/zinc/08/61/51/1070086151.db2.gz WKMYGIKQLRMXOB-TZIWHRDSSA-N 1 1 460.627 1.336 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)CCN2CCOCC2)CC1 ZINC001502313303 1070086595 /nfs/dbraw/zinc/08/65/95/1070086595.db2.gz BVTAHLDBVFPNOV-NRFANRHFSA-N 1 1 473.641 1.802 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cnccn3)nnc2N2CCC(N(C)C(C)=O)CC2)CC1 ZINC001502313094 1070086696 /nfs/dbraw/zinc/08/66/96/1070086696.db2.gz XUHODVKRGMZPRS-SFHVURJKSA-N 1 1 455.611 1.208 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC001502313716 1070089720 /nfs/dbraw/zinc/08/97/20/1070089720.db2.gz JNSZDMYRJDIZNF-NHCUHLMSSA-N 1 1 475.682 1.720 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(C3CCCC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502313690 1070090010 /nfs/dbraw/zinc/09/00/10/1070090010.db2.gz JCZIRFWILHVHNW-SFHVURJKSA-N 1 1 467.684 1.480 20 0 JDADMO COC(=O)C1CC2(C1)C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1)CCS2(=O)=O ZINC001479144427 1070093645 /nfs/dbraw/zinc/09/36/45/1070093645.db2.gz UPCBJHOLGAVXJE-ZJPRYJDKSA-N 1 1 455.621 1.982 20 0 JDADMO CCN1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314403 1070093656 /nfs/dbraw/zinc/09/36/56/1070093656.db2.gz UWNXYBOMYSZJTI-PMACEKPBSA-N 1 1 481.711 1.173 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC001502314648 1070094340 /nfs/dbraw/zinc/09/43/40/1070094340.db2.gz YLZOQHLBEDREKK-SLFFLAALSA-N 1 1 477.654 1.911 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)CCOC)CC1 ZINC001502314624 1070094505 /nfs/dbraw/zinc/09/45/05/1070094505.db2.gz YBCFYQWWCUDPAO-HXUWFJFHSA-N 1 1 471.654 1.561 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC001502314671 1070095448 /nfs/dbraw/zinc/09/54/48/1070095448.db2.gz YTWLJQNVQHXPLB-NRFANRHFSA-N 1 1 468.650 1.860 20 0 JDADMO O=C(NCc1ccc(CN2C(=O)CNC2=O)cc1)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001479153233 1070095854 /nfs/dbraw/zinc/09/58/54/1070095854.db2.gz PPNGUKACTNAQMW-NRFANRHFSA-N 1 1 451.527 1.304 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001502314862 1070095817 /nfs/dbraw/zinc/09/58/17/1070095817.db2.gz CGXWLYFKOMCEIK-OAQYLSRUSA-N 1 1 471.654 1.224 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001502314871 1070095904 /nfs/dbraw/zinc/09/59/04/1070095904.db2.gz CMIDHIRYARMQEJ-IBGZPJMESA-N 1 1 488.706 1.964 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001502314971 1070097238 /nfs/dbraw/zinc/09/72/38/1070097238.db2.gz DWXPBBSFSQTFEC-NRFANRHFSA-N 1 1 482.677 1.985 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2C[C@@H](C)O[C@H](COC)C2)CC1 ZINC001502315061 1070097293 /nfs/dbraw/zinc/09/72/93/1070097293.db2.gz GNUMKNHDKPSECL-VSKRKVRLSA-N 1 1 474.654 1.406 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(=O)NC)C2)CC1 ZINC001502314976 1070097410 /nfs/dbraw/zinc/09/74/10/1070097410.db2.gz DYWYAXHZGZCHKN-IEBWSBKVSA-N 1 1 474.679 1.622 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cnccn2)CC1 ZINC001502315232 1070099248 /nfs/dbraw/zinc/09/92/48/1070099248.db2.gz JOOBTSCSHAXTOR-SFHVURJKSA-N 1 1 483.646 1.722 20 0 JDADMO Cc1ccccc1C(=O)NC1CCN(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC001479177373 1070099558 /nfs/dbraw/zinc/09/95/58/1070099558.db2.gz FUEYAPSQMAUZJU-QFIPXVFZSA-N 1 1 457.619 1.695 20 0 JDADMO CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CNC(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)[C@@H]2C1 ZINC001479177907 1070099754 /nfs/dbraw/zinc/09/97/54/1070099754.db2.gz FDXKQLXCSMAVMN-LWYYNNOASA-N 1 1 451.612 1.195 20 0 JDADMO Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C2)nc1 ZINC001479178045 1070100403 /nfs/dbraw/zinc/10/04/03/1070100403.db2.gz PLOZICRZAJERHX-SFTDATJTSA-N 1 1 458.607 1.547 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](OCC(C)C)C2)CC1 ZINC001502315451 1070100730 /nfs/dbraw/zinc/10/07/30/1070100730.db2.gz ODKAQYHTQHVORH-RTWAWAEBSA-N 1 1 461.655 1.678 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502315805 1070105767 /nfs/dbraw/zinc/10/57/67/1070105767.db2.gz VEGFMCAEQJJHAL-FYYLOGMGSA-N 1 1 485.681 1.470 20 0 JDADMO CCN1CC[NH+]([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H]2CCN(C(C)=O)C2)CC1 ZINC001502315808 1070106225 /nfs/dbraw/zinc/10/62/25/1070106225.db2.gz VEGFMCAEQJJHAL-JTHBVZDNSA-N 1 1 485.681 1.470 20 0 JDADMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001502315822 1070106706 /nfs/dbraw/zinc/10/67/06/1070106706.db2.gz VHZJAXFNZVQKIL-IEBWSBKVSA-N 1 1 474.679 1.752 20 0 JDADMO C[C@H](NC(=O)NC[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2)[C@H]1C[N@@H+](C)CCN1C ZINC001479205830 1070107037 /nfs/dbraw/zinc/10/70/37/1070107037.db2.gz SFFAKDRIXHKXQH-IPMKNSEASA-N 1 1 453.628 1.726 20 0 JDADMO 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1.993 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001502327827 1070153957 /nfs/dbraw/zinc/15/39/57/1070153957.db2.gz VADOQNSMHWEBDK-MSOLQXFVSA-N 1 1 493.653 1.889 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC001502327925 1070155432 /nfs/dbraw/zinc/15/54/32/1070155432.db2.gz WMGZIXYWZXWTPI-DYXWJJEUSA-N 1 1 476.647 1.945 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)C[C@H]1C ZINC001502327856 1070155738 /nfs/dbraw/zinc/15/57/38/1070155738.db2.gz VKHOHWNSARELIV-RTBURBONSA-N 1 1 482.626 1.780 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCOCCOC)C[C@@H]1C ZINC001502327854 1070156199 /nfs/dbraw/zinc/15/61/99/1070156199.db2.gz VKHOHWNSARELIV-OALUTQOASA-N 1 1 482.626 1.780 20 0 JDADMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)CC1 ZINC001479524406 1070160032 /nfs/dbraw/zinc/16/00/32/1070160032.db2.gz NJDSCROTJSSAFB-HNNXBMFYSA-N 1 1 452.581 1.938 20 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CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nc(C)c(C)s2)C[C@@H]1C ZINC001502328047 1070158256 /nfs/dbraw/zinc/15/82/56/1070158256.db2.gz YLCCYJDKRUWUSB-WMLDXEAASA-N 1 1 483.664 1.263 20 0 JDADMO CC[N@H+]1CCN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502328671 1070161859 /nfs/dbraw/zinc/16/18/59/1070161859.db2.gz LBPWCUPIWHQYRK-IBGZPJMESA-N 1 1 457.598 1.703 20 0 JDADMO CC[N@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001502330260 1070163225 /nfs/dbraw/zinc/16/32/25/1070163225.db2.gz RXTJYFCDRLSKNY-YWZLYKJASA-N 1 1 450.634 1.668 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502331251 1070165398 /nfs/dbraw/zinc/16/53/98/1070165398.db2.gz MGXWHAXCAFBXNI-VQTJNVASSA-N 1 1 476.647 1.977 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001502331336 1070165487 /nfs/dbraw/zinc/16/54/87/1070165487.db2.gz NKBXQBRWAAAXCJ-ZWKOTPCHSA-N 1 1 480.610 1.808 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001502331250 1070165977 /nfs/dbraw/zinc/16/59/77/1070165977.db2.gz MGXWHAXCAFBXNI-UXHICEINSA-N 1 1 476.647 1.977 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502331556 1070166321 /nfs/dbraw/zinc/16/63/21/1070166321.db2.gz SBSNVJMSVSCORG-MRXNPFEDSA-N 1 1 454.572 1.418 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNC(=O)c2ccn[nH]2)C[C@@H]1C ZINC001502330911 1070166384 /nfs/dbraw/zinc/16/63/84/1070166384.db2.gz FDXZYEIVIGXYFL-KRWDZBQOSA-N 1 1 468.562 1.549 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccccc2S(=O)(=O)N(C)C)C[C@@H]1C ZINC001502332394 1070170955 /nfs/dbraw/zinc/17/09/55/1070170955.db2.gz JDKUUNMDBRUMDF-PKOBYXMFSA-N 1 1 462.620 1.959 20 0 JDADMO COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC001479596002 1070171523 /nfs/dbraw/zinc/17/15/23/1070171523.db2.gz LKWHASYAHJMEMI-VDGAXYAQSA-N 1 1 451.999 1.516 20 0 JDADMO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167594 /nfs/dbraw/zinc/16/75/94/1070167594.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 1 1 460.671 1.461 20 0 JDADMO CCN1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167602 /nfs/dbraw/zinc/16/76/02/1070167602.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 1 1 460.671 1.461 20 0 JDADMO CC[N@H+]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCNS(=O)(=O)CC)C[C@@H]1C ZINC001502331847 1070168087 /nfs/dbraw/zinc/16/80/87/1070168087.db2.gz YCQXBCBHKLMIMR-IBGZPJMESA-N 1 1 464.636 1.944 20 0 JDADMO CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001502332086 1070170111 /nfs/dbraw/zinc/17/01/11/1070170111.db2.gz CUCYFWNRERHDKY-ACRUOGEOSA-N 1 1 450.628 1.645 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCN2CCOCC2)C[C@@H]1C ZINC001502332086 1070170124 /nfs/dbraw/zinc/17/01/24/1070170124.db2.gz CUCYFWNRERHDKY-ACRUOGEOSA-N 1 1 450.628 1.645 20 0 JDADMO CC[N@H+]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)N2CCSCC2)C[C@H]1C ZINC001502332738 1070173268 /nfs/dbraw/zinc/17/32/68/1070173268.db2.gz RCYVANDCSWVLQY-IAGOWNOFSA-N 1 1 458.654 1.039 20 0 JDADMO CC[N@H+]1CCN(c2nnc(CSc3ccc(C)cc3)n2CCS(=O)(=O)NC)C[C@H]1C ZINC001502332613 1070173343 /nfs/dbraw/zinc/17/33/43/1070173343.db2.gz OLEVCSMRSLGVNV-QGZVFWFLSA-N 1 1 452.650 1.958 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3nc(C)c(C)s3)C2)CC1 ZINC001502333167 1070174405 /nfs/dbraw/zinc/17/44/05/1070174405.db2.gz BWLFGEVFCAQQGE-WMZOPIPTSA-N 1 1 496.707 1.226 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(C)CCC3)C2)CC1 ZINC001502333152 1070174757 /nfs/dbraw/zinc/17/47/57/1070174757.db2.gz BGMRHZGCQGBXIJ-ZWKOTPCHSA-N 1 1 453.657 1.295 20 0 JDADMO CCN1CCN(C2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC001502333570 1070178240 /nfs/dbraw/zinc/17/82/40/1070178240.db2.gz LQZGEUYZINJAOE-ZWKOTPCHSA-N 1 1 496.682 1.099 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502333712 1070178983 /nfs/dbraw/zinc/17/89/83/1070178983.db2.gz PHQLFBOVGRNOKZ-QGZVFWFLSA-N 1 1 493.454 1.777 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333644 1070179128 /nfs/dbraw/zinc/17/91/28/1070179128.db2.gz NNUKREKIJCCOGF-APWZRJJASA-N 1 1 497.616 1.431 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333645 1070179722 /nfs/dbraw/zinc/17/97/22/1070179722.db2.gz NNUKREKIJCCOGF-LPHOPBHVSA-N 1 1 497.616 1.431 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(C)C)n3CC(=O)NCCc3ccccc3)C2)CC1 ZINC001502333670 1070179977 /nfs/dbraw/zinc/17/99/77/1070179977.db2.gz OIQRFRTZLLUGDF-JOCHJYFZSA-N 1 1 453.635 1.977 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3Cc3cc(F)ccc3F)C2)CC1 ZINC001502333646 1070180126 /nfs/dbraw/zinc/18/01/26/1070180126.db2.gz NNUKREKIJCCOGF-QFBILLFUSA-N 1 1 497.616 1.431 20 0 JDADMO 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CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3CCOC)C2)CC1 ZINC001502334215 1070182968 /nfs/dbraw/zinc/18/29/68/1070182968.db2.gz CKFQBWBRFLQDBP-IBGZPJMESA-N 1 1 462.620 1.211 20 0 JDADMO Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001493050914 1070193422 /nfs/dbraw/zinc/19/34/22/1070193422.db2.gz CHQHDUFYAROKCI-GDBMZVCRSA-N 1 1 481.623 1.231 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCCNC(C)=O)C2)CC1 ZINC001502335759 1070197984 /nfs/dbraw/zinc/19/79/84/1070197984.db2.gz QCWLLQQOVHIZRF-OAQYLSRUSA-N 1 1 457.598 1.750 20 0 JDADMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CC(=O)NCc3ccco3)C2)CC1 ZINC001502335278 1070194550 /nfs/dbraw/zinc/19/45/50/1070194550.db2.gz FERSCKVDACZAPW-LJQANCHMSA-N 1 1 457.623 1.992 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CC(C)C)n3C[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC001502335686 1070198124 /nfs/dbraw/zinc/19/81/24/1070198124.db2.gz NYPPDXIHVIEXOM-VQTJNVASSA-N 1 1 467.684 1.117 20 0 JDADMO 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CCN1CC[NH+]([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001502336118 1070199725 /nfs/dbraw/zinc/19/97/25/1070199725.db2.gz VMUCLUNQADIISO-VQTJNVASSA-N 1 1 477.654 1.865 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502337434 1070203957 /nfs/dbraw/zinc/20/39/57/1070203957.db2.gz HXYYINYZJWIYGD-PMACEKPBSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C)nnc2N2CCN(c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001502337067 1070200882 /nfs/dbraw/zinc/20/08/82/1070200882.db2.gz ABEHQVOOZOJNHG-IBGZPJMESA-N 1 1 454.623 1.286 20 0 JDADMO Cc1noc(C2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CC=CCC3)CC2)n1 ZINC001493090442 1070204001 /nfs/dbraw/zinc/20/40/01/1070204001.db2.gz XBLDICXVRICXTL-HNNXBMFYSA-N 1 1 464.596 1.226 20 0 JDADMO CCN1CC[NH+]([C@H]2CCN(c3nnc(CCc4ccc(OC)cc4)n3CC(=O)NC(C)C)C2)CC1 ZINC001502336280 1070201151 /nfs/dbraw/zinc/20/11/51/1070201151.db2.gz XEXNGMGXWGEATB-QFIPXVFZSA-N 1 1 483.661 1.813 20 0 JDADMO 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JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502339626 1070216769 /nfs/dbraw/zinc/21/67/69/1070216769.db2.gz AZTOLSKDUULCKB-PMACEKPBSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001502339628 1070217354 /nfs/dbraw/zinc/21/73/54/1070217354.db2.gz AZTOLSKDUULCKB-VQTJNVASSA-N 1 1 499.660 1.903 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001502338320 1070213874 /nfs/dbraw/zinc/21/38/74/1070213874.db2.gz UXPHDDYKEMRLGK-SFHVURJKSA-N 1 1 459.643 1.368 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502340260 1070219183 /nfs/dbraw/zinc/21/91/83/1070219183.db2.gz FNSMYRVWDHBHGM-LJQANCHMSA-N 1 1 456.639 1.899 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc[nH]3)nnc2N2CCC(CC(=O)NC)CC2)CC1 ZINC001502340259 1070219616 /nfs/dbraw/zinc/21/96/16/1070219616.db2.gz FNSMYRVWDHBHGM-IBGZPJMESA-N 1 1 456.639 1.899 20 0 JDADMO 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CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502341212 1070225784 /nfs/dbraw/zinc/22/57/84/1070225784.db2.gz QJUYENHVPPDVQP-WIYYLYMNSA-N 1 1 490.052 1.823 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(Cl)nc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001493172281 1070235493 /nfs/dbraw/zinc/23/54/93/1070235493.db2.gz YPGMDKWEDRJCKO-WMZOPIPTSA-N 1 1 489.024 1.603 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502343329 1070235955 /nfs/dbraw/zinc/23/59/55/1070235955.db2.gz NGDNJUUKQVCEGS-VQTJNVASSA-N 1 1 454.623 1.204 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343308 1070236141 /nfs/dbraw/zinc/23/61/41/1070236141.db2.gz MYWPPNAMNODZGN-FPOVZHCZSA-N 1 1 482.695 1.807 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502343310 1070236829 /nfs/dbraw/zinc/23/68/29/1070236829.db2.gz MYWPPNAMNODZGN-TZIWHRDSSA-N 1 1 482.695 1.807 20 0 JDADMO 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C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001493186653 1070245825 /nfs/dbraw/zinc/24/58/25/1070245825.db2.gz TVRAQEAYRFXZCJ-GOSISDBHSA-N 1 1 457.598 1.701 20 0 JDADMO C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccccc2F)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001493186653 1070245867 /nfs/dbraw/zinc/24/58/67/1070245867.db2.gz TVRAQEAYRFXZCJ-GOSISDBHSA-N 1 1 457.598 1.701 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001502344211 1070249056 /nfs/dbraw/zinc/24/90/56/1070249056.db2.gz ZIRZLQLEYGLNGZ-LJQANCHMSA-N 1 1 469.700 1.268 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502345384 1070250018 /nfs/dbraw/zinc/25/00/18/1070250018.db2.gz AOPDGCYJHVXMJH-LJQANCHMSA-N 1 1 473.597 1.548 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1CCCC[N@H+]1CCC[C@H]1CO ZINC001493190554 1070250159 /nfs/dbraw/zinc/25/01/59/1070250159.db2.gz CAOHPDGCOZFHQK-OALUTQOASA-N 1 1 474.581 1.900 20 0 JDADMO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCS(=O)CC2)CC1 ZINC001502345568 1070250237 /nfs/dbraw/zinc/25/02/37/1070250237.db2.gz CKPXKLZYGAXPKM-FQEVSTJZSA-N 1 1 490.674 1.708 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502345567 1070250698 /nfs/dbraw/zinc/25/06/98/1070250698.db2.gz CIQYMQHHOTVIPS-WOJBJXKFSA-N 1 1 487.624 1.937 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@H](C(=O)OC)C2)CC1 ZINC001502345573 1070250779 /nfs/dbraw/zinc/25/07/79/1070250779.db2.gz CLBKNDOHTIOPOD-WIYYLYMNSA-N 1 1 472.638 1.413 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N3CCC[C@H](C(N)=O)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502345448 1070251148 /nfs/dbraw/zinc/25/11/48/1070251148.db2.gz BSEQJGCZJXXEJD-TYBLODHISA-N 1 1 491.681 1.294 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 ZINC001502345586 1070252670 /nfs/dbraw/zinc/25/26/70/1070252670.db2.gz CPTZTSIACOXCFU-SBUREZEXSA-N 1 1 474.679 1.609 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001493194513 1070254302 /nfs/dbraw/zinc/25/43/02/1070254302.db2.gz XNMWHSZYXJTTEX-INIZCTEOSA-N 1 1 475.619 1.047 20 0 JDADMO C[C@H]1C(=O)N(C)CCN1c1nnc(CNC(=O)c2cccs2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001493194513 1070254332 /nfs/dbraw/zinc/25/43/32/1070254332.db2.gz XNMWHSZYXJTTEX-INIZCTEOSA-N 1 1 475.619 1.047 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001502345961 1070254803 /nfs/dbraw/zinc/25/48/03/1070254803.db2.gz HVQCKJGMWLZINB-VAPSRWTKSA-N 1 1 491.681 1.333 20 0 JDADMO CC[NH+]1CCN(C[C@H](C)Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001502346455 1070256394 /nfs/dbraw/zinc/25/63/94/1070256394.db2.gz LNQLOVHWSFENGF-TUFLPTIASA-N 1 1 450.628 1.501 20 0 JDADMO C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493211147 1070260410 /nfs/dbraw/zinc/26/04/10/1070260410.db2.gz BEIXVCFDGMWONQ-XWTMOSNGSA-N 1 1 468.668 1.855 20 0 JDADMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCNC(=O)CC2)CC1 ZINC001502346939 1070261061 /nfs/dbraw/zinc/26/10/61/1070261061.db2.gz QQHIDJJHKXFGED-OAQYLSRUSA-N 1 1 469.634 1.765 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCC[N@H+]1CCCO[C@@H](C)C1 ZINC001493219411 1070263355 /nfs/dbraw/zinc/26/33/55/1070263355.db2.gz QFPCNZISQRMLLM-ZSYWTGECSA-N 1 1 456.657 1.872 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)C1 ZINC001493218464 1070262488 /nfs/dbraw/zinc/26/24/88/1070262488.db2.gz VQUHLZPZXVEJGQ-OTWHNJEPSA-N 1 1 468.668 1.620 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)C1 ZINC001493217974 1070262793 /nfs/dbraw/zinc/26/27/93/1070262793.db2.gz RTJVCCWFKYYFMJ-WCIQWLHISA-N 1 1 498.694 1.593 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502349426 1070268489 /nfs/dbraw/zinc/26/84/89/1070268489.db2.gz XWRZPCDWJQEGLX-UHFFFAOYSA-N 1 1 493.454 1.732 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCNC(=O)C2)CC1 ZINC001502348925 1070264251 /nfs/dbraw/zinc/26/42/51/1070264251.db2.gz HIZKPDBTQSIHOG-IBGZPJMESA-N 1 1 473.597 1.911 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](C)(N3CCOCC3)C2)CC1 ZINC001502347356 1070264468 /nfs/dbraw/zinc/26/44/68/1070264468.db2.gz YMFIBKJFDSNSAS-VWLOTQADSA-N 1 1 490.697 1.135 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C)nnc2N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC001502348929 1070264865 /nfs/dbraw/zinc/26/48/65/1070264865.db2.gz HKJDOIDBUXZMRI-HXUWFJFHSA-N 1 1 453.657 1.009 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(C)C)nnc2N2CC[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001502349323 1070266766 /nfs/dbraw/zinc/26/67/66/1070266766.db2.gz TZDUOYXVKNPUBB-JOCHJYFZSA-N 1 1 452.669 1.834 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001502349285 1070266828 /nfs/dbraw/zinc/26/68/28/1070266828.db2.gz SFNTYOVIFMTFQL-WOJBJXKFSA-N 1 1 469.700 1.932 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001502349477 1070268752 /nfs/dbraw/zinc/26/87/52/1070268752.db2.gz ZUVVYNYWYXLDRO-IBGZPJMESA-N 1 1 456.595 1.568 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001502352559 1070272910 /nfs/dbraw/zinc/27/29/10/1070272910.db2.gz GSIAGFAMNYSTBQ-FQEVSTJZSA-N 1 1 470.622 1.958 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264480 1070269285 /nfs/dbraw/zinc/26/92/85/1070269285.db2.gz DORWOVQQNLIXFA-HDICACEKSA-N 1 1 488.637 1.305 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C)C2)C1 ZINC001493264189 1070269779 /nfs/dbraw/zinc/26/97/79/1070269779.db2.gz CKPHQXCKLXAZHZ-MHTWAQMVSA-N 1 1 498.694 1.594 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3ccccc3OC)nnc2N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001502351022 1070270080 /nfs/dbraw/zinc/27/00/80/1070270080.db2.gz JKPLINXOEQIKTH-FQEVSTJZSA-N 1 1 490.674 1.995 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(=O)OC)C2)CC1 ZINC001502350996 1070270312 /nfs/dbraw/zinc/27/03/12/1070270312.db2.gz ISUDNADCKNUJCL-RBUKOAKNSA-N 1 1 461.611 1.036 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@H](CNC(C)=O)C2)CC1 ZINC001502351034 1070270367 /nfs/dbraw/zinc/27/03/67/1070270367.db2.gz JZKJJRODCHLHHE-FCHUYYIVSA-N 1 1 461.655 1.552 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC(=O)N(C)[C@H](C)C2)C1 ZINC001493266293 1070270798 /nfs/dbraw/zinc/27/07/98/1070270798.db2.gz OINCHMSNVZFFMZ-IYWMVGAKSA-N 1 1 480.679 1.605 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273362 /nfs/dbraw/zinc/27/33/62/1070273362.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 1 1 481.711 1.931 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273385 /nfs/dbraw/zinc/27/33/85/1070273385.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 1 1 481.711 1.931 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493264746 1070271554 /nfs/dbraw/zinc/27/15/54/1070271554.db2.gz VBTGXDNEPOIDRK-ZSYWTGECSA-N 1 1 483.683 1.313 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502351389 1070271618 /nfs/dbraw/zinc/27/16/18/1070271618.db2.gz UWPCAMRSTCRXOR-QFIPXVFZSA-N 1 1 461.655 1.552 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001502351290 1070271803 /nfs/dbraw/zinc/27/18/03/1070271803.db2.gz RPNSZEDHCZTQSR-UHFFFAOYSA-N 1 1 465.597 1.483 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493267568 1070272184 /nfs/dbraw/zinc/27/21/84/1070272184.db2.gz XFROJAGXWUIFRX-FCGDIQPGSA-N 1 1 483.683 1.348 20 0 JDADMO CC[NH+]1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(CNC(C)=O)CC2)CC1 ZINC001502351388 1070272364 /nfs/dbraw/zinc/27/23/64/1070272364.db2.gz UWPCAMRSTCRXOR-JOCHJYFZSA-N 1 1 461.655 1.552 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274253 /nfs/dbraw/zinc/27/42/53/1070274253.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 1 1 481.711 1.931 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274282 /nfs/dbraw/zinc/27/42/82/1070274282.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 1 1 481.711 1.931 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@H]3CCOC3)nnc2N2CCC(CNS(C)(=O)=O)CC2)C1 ZINC001493275532 1070274712 /nfs/dbraw/zinc/27/47/12/1070274712.db2.gz MGUUAQSHQXYXJE-ZVDOUQERSA-N 1 1 482.695 1.916 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c(-c3cnccn3)nnc2N(C)CCNS(C)(=O)=O)C1 ZINC001493274853 1070274831 /nfs/dbraw/zinc/27/48/31/1070274831.db2.gz FBHQKKUPIIKHQW-CALCHBBNSA-N 1 1 450.613 1.089 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(N3CC(=O)N(C)[C@@H](C)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502352575 1070275518 /nfs/dbraw/zinc/27/55/18/1070275518.db2.gz HLSPSYLRPSYELE-SQJMNOBHSA-N 1 1 491.681 1.403 20 0 JDADMO C[C@@H]1C[C@H](C)C[N@H+](CCCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCOC[C@@H]2C)C1 ZINC001493277738 1070276130 /nfs/dbraw/zinc/27/61/30/1070276130.db2.gz ZODCDGUZHYISFV-YRPNKDGESA-N 1 1 484.667 1.204 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(C)=O)C2)CC1 ZINC001502352860 1070276210 /nfs/dbraw/zinc/27/62/10/1070276210.db2.gz QMVDKZUDEMPYNS-QHCPKHFHSA-N 1 1 468.650 1.787 20 0 JDADMO CC[NH+]1CCN(CCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001502352851 1070276466 /nfs/dbraw/zinc/27/64/66/1070276466.db2.gz QGWRDLSKHVIHSV-SFHVURJKSA-N 1 1 487.571 1.586 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](O)(c3ccccc3F)C2)CC1 ZINC001502353037 1070278052 /nfs/dbraw/zinc/27/80/52/1070278052.db2.gz WKBKOQQWOZOLTE-VWLOTQADSA-N 1 1 487.624 1.681 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC001502352818 1070277188 /nfs/dbraw/zinc/27/71/88/1070277188.db2.gz PJYQNTUKQSVHFU-NRFANRHFSA-N 1 1 498.680 1.339 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)CC1 ZINC001502352513 1070273628 /nfs/dbraw/zinc/27/36/28/1070273628.db2.gz FMKWWTGKSYWUEZ-GOSISDBHSA-N 1 1 488.603 1.517 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493292407 1070279302 /nfs/dbraw/zinc/27/93/02/1070279302.db2.gz NVMUXZDRGAGUMP-OBKDMQGPSA-N 1 1 486.683 1.639 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@H]1CCO[C@H](C)C1 ZINC001493292407 1070279328 /nfs/dbraw/zinc/27/93/28/1070279328.db2.gz NVMUXZDRGAGUMP-OBKDMQGPSA-N 1 1 486.683 1.639 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN([C@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502353147 1070279664 /nfs/dbraw/zinc/27/96/64/1070279664.db2.gz YXKHYNCZWAVZCW-JOCHJYFZSA-N 1 1 474.698 1.562 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493292408 1070280077 /nfs/dbraw/zinc/28/00/77/1070280077.db2.gz NVMUXZDRGAGUMP-OUUBHVDSSA-N 1 1 486.683 1.639 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001493292408 1070280103 /nfs/dbraw/zinc/28/01/03/1070280103.db2.gz NVMUXZDRGAGUMP-OUUBHVDSSA-N 1 1 486.683 1.639 20 0 JDADMO CCN1CC[NH+](CCCn2c(C(C)C)nnc2N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)CC1 ZINC001502353152 1070280317 /nfs/dbraw/zinc/28/03/17/1070280317.db2.gz YXKHYNCZWAVZCW-QFIPXVFZSA-N 1 1 474.698 1.562 20 0 JDADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC001502354352 1070282655 /nfs/dbraw/zinc/28/26/55/1070282655.db2.gz IARSUOFRFUVQDF-UHFFFAOYSA-N 1 1 456.595 1.156 20 0 JDADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC001502354620 1070282729 /nfs/dbraw/zinc/28/27/29/1070282729.db2.gz LJKUFBCKDZYTTO-LJQANCHMSA-N 1 1 451.616 1.344 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3OC)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502354319 1070282193 /nfs/dbraw/zinc/28/21/93/1070282193.db2.gz GVTYJLVMCPQBCW-UHFFFAOYSA-N 1 1 476.025 1.913 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C)(C)CC2)CC1 ZINC001502354801 1070284449 /nfs/dbraw/zinc/28/44/49/1070284449.db2.gz NVFPOFDBTXUWRA-SFHVURJKSA-N 1 1 455.673 1.542 20 0 JDADMO CCN1CC[NH+](CCCn2c(C)nnc2N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 ZINC001502355096 1070285236 /nfs/dbraw/zinc/28/52/36/1070285236.db2.gz SGOIWDLPSMTRET-UHFFFAOYSA-N 1 1 479.626 1.264 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(OC)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001502355172 1070285603 /nfs/dbraw/zinc/28/56/03/1070285603.db2.gz UDJKMEYRWWURDX-IBGZPJMESA-N 1 1 455.607 1.648 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502355491 1070288191 /nfs/dbraw/zinc/28/81/91/1070288191.db2.gz YTPDMPHPZOQRJY-GOSISDBHSA-N 1 1 491.662 1.184 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2C[C@@H](CC(=O)OC)[C@H](O)C2)CC1 ZINC001502355918 1070288420 /nfs/dbraw/zinc/28/84/20/1070288420.db2.gz CMKHJDYLUIHSDW-TZIWHRDSSA-N 1 1 486.617 1.342 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001493313596 1070288519 /nfs/dbraw/zinc/28/85/19/1070288519.db2.gz OHNGIFXCGBHQPS-PJVZLEMVSA-N 1 1 454.641 1.766 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3ccc(O)cc3C2)CC1 ZINC001502355494 1070288553 /nfs/dbraw/zinc/28/85/53/1070288553.db2.gz YTPDMPHPZOQRJY-SFHVURJKSA-N 1 1 491.662 1.184 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCCN(CC(F)(F)F)CC2)CC1 ZINC001502356262 1070289662 /nfs/dbraw/zinc/28/96/62/1070289662.db2.gz LFQGNGADVRXINN-SFHVURJKSA-N 1 1 486.587 1.331 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccn3C)nnc2N2CCC(S(C)(=O)=O)CC2)CC1 ZINC001502356079 1070290405 /nfs/dbraw/zinc/29/04/05/1070290405.db2.gz IQADODCRVFEQLO-UHFFFAOYSA-N 1 1 463.652 1.325 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3cccc(C)n3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)CC1 ZINC001502356341 1070290635 /nfs/dbraw/zinc/29/06/35/1070290635.db2.gz MSQAEWNOBCPXTN-NHCUHLMSSA-N 1 1 457.623 1.916 20 0 JDADMO CC[NH+]1CCN(CCCn2c(-c3ccccc3OC)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001502357056 1070292026 /nfs/dbraw/zinc/29/20/26/1070292026.db2.gz VRXFRPCUGACZGY-IBGZPJMESA-N 1 1 455.607 1.683 20 0 JDADMO CCN1CC[NH+](CCCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001502358189 1070293226 /nfs/dbraw/zinc/29/32/26/1070293226.db2.gz IQMTUSMZUMMHLV-SFTDATJTSA-N 1 1 497.710 1.313 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)(C)C)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001502358663 1070295783 /nfs/dbraw/zinc/29/57/83/1070295783.db2.gz OYGFMLHQZLBVTO-UHFFFAOYSA-N 1 1 469.700 1.366 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001502358757 1070297223 /nfs/dbraw/zinc/29/72/23/1070297223.db2.gz PXZFGWIDOKKHSY-FQEVSTJZSA-N 1 1 454.623 1.383 20 0 JDADMO CCN1CC[NH+](CCCn2c(Cc3ccccc3OC)nnc2N2CCCN(CC)C(=O)C2)CC1 ZINC001502359252 1070298600 /nfs/dbraw/zinc/29/86/00/1070298600.db2.gz ZNHULPJNTSGIDZ-UHFFFAOYSA-N 1 1 483.661 1.964 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCC[C@H](C(=O)OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502360223 1070302170 /nfs/dbraw/zinc/30/21/70/1070302170.db2.gz JZVYXXLATZIIBT-SQJMNOBHSA-N 1 1 492.665 1.736 20 0 JDADMO CC(C)[N@@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001493421609 1070300051 /nfs/dbraw/zinc/30/00/51/1070300051.db2.gz RUIZLAIQJQQYFU-GUDVDZBRSA-N 1 1 456.657 1.966 20 0 JDADMO CCN1CC[NH+](CCCn2c(CCc3ccccc3)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001502360271 1070302293 /nfs/dbraw/zinc/30/22/93/1070302293.db2.gz LDUMYNKKJGDENS-OAQYLSRUSA-N 1 1 453.635 1.758 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCN(CC(=O)NC4CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502359809 1070300452 /nfs/dbraw/zinc/30/04/52/1070300452.db2.gz FIQYZOFRAPKEEQ-UHFFFAOYSA-N 1 1 460.671 1.004 20 0 JDADMO CCN1CC[NH+](CCCn2c(CC(C)C)nnc2N2CCC(S(=O)(=O)CC)CC2)CC1 ZINC001502359270 1070300632 /nfs/dbraw/zinc/30/06/32/1070300632.db2.gz ZUGRUKFYKHRVQP-UHFFFAOYSA-N 1 1 454.685 1.908 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)N(C)C)CC1 ZINC001493435623 1070300783 /nfs/dbraw/zinc/30/07/83/1070300783.db2.gz CFVMCVSADNEWLU-BGYRXZFFSA-N 1 1 454.623 1.347 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)CC1 ZINC001493436953 1070301208 /nfs/dbraw/zinc/30/12/08/1070301208.db2.gz HSMMRQZIXRVCAC-BGYRXZFFSA-N 1 1 496.722 1.510 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCN(C(C)=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001502359960 1070301562 /nfs/dbraw/zinc/30/15/62/1070301562.db2.gz HDZUUFGTLLIGLD-XMMPIXPASA-N 1 1 477.654 1.015 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)O)CC1 ZINC001493436971 1070301699 /nfs/dbraw/zinc/30/16/99/1070301699.db2.gz HZCDUKSABRQDJB-KDURUIRLSA-N 1 1 470.622 1.691 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001493437222 1070301781 /nfs/dbraw/zinc/30/17/81/1070301781.db2.gz KXOWBOFWUDLTCZ-JXALWOEJSA-N 1 1 496.722 1.411 20 0 JDADMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001493438108 1070302667 /nfs/dbraw/zinc/30/26/67/1070302667.db2.gz QMXLZQLBMOHZKP-FGTMMUONSA-N 1 1 487.571 1.455 20 0 JDADMO CCN1CC[NH+](CCCn2c(N3CCN(c4ccc(C(N)=O)cn4)CC3)nnc2C(C)(C)C)CC1 ZINC001502360245 1070302985 /nfs/dbraw/zinc/30/29/85/1070302985.db2.gz KMDNSWJHCXDHLP-UHFFFAOYSA-N 1 1 483.665 1.424 20 0 JDADMO CCn1nc(-c2nnc(N(C)[C@H](C)CC(N)=O)n2C[C@@H](C)[N@@H+](C)C2CC2)c2ccccc2c1=O ZINC001502360476 1070303141 /nfs/dbraw/zinc/30/31/41/1070303141.db2.gz NYEOISLSBPAFDK-HZPDHXFCSA-N 1 1 466.590 1.858 20 0 JDADMO CCn1nc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001502361896 1070305532 /nfs/dbraw/zinc/30/55/32/1070305532.db2.gz RXEBUTFRENBNAJ-KRWDZBQOSA-N 1 1 487.630 1.638 20 0 JDADMO CCn1nc(-c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[N@@H+](C)C(C)C)c2ccccc2c1=O ZINC001502361717 1070305788 /nfs/dbraw/zinc/30/57/88/1070305788.db2.gz NOQAHSDLEILLSK-QGZVFWFLSA-N 1 1 468.606 1.833 20 0 JDADMO C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001493546998 1070313428 /nfs/dbraw/zinc/31/34/28/1070313428.db2.gz SWYLFVNNKKQKDM-AABGKKOBSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@@H]1CCC[C@H](N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001493546998 1070313447 /nfs/dbraw/zinc/31/34/47/1070313447.db2.gz SWYLFVNNKKQKDM-AABGKKOBSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC(C)(C)C2)C1 ZINC001493547001 1070313579 /nfs/dbraw/zinc/31/35/79/1070313579.db2.gz SWYLFVNNKKQKDM-VAMGGRTRSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@@H]1CCC[C@@H](N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC(C)(C)C2)C1 ZINC001493547001 1070313599 /nfs/dbraw/zinc/31/35/99/1070313599.db2.gz SWYLFVNNKKQKDM-VAMGGRTRSA-N 1 1 498.694 1.737 20 0 JDADMO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001493547863 1070312987 /nfs/dbraw/zinc/31/29/87/1070312987.db2.gz WEYPPGYHANRQOL-ANULTFPQSA-N 1 1 498.694 1.594 20 0 JDADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)C[NH+]1CCOCC1 ZINC001493547864 1070313161 /nfs/dbraw/zinc/31/31/61/1070313161.db2.gz WEYPPGYHANRQOL-CGXNFDGLSA-N 1 1 498.694 1.594 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](Cc2ccsc2)CC1 ZINC001502368145 1070315282 /nfs/dbraw/zinc/31/52/82/1070315282.db2.gz CRQZIUGLRZZYSQ-UHFFFAOYSA-N 1 1 461.636 1.962 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001502374660 1070320754 /nfs/dbraw/zinc/32/07/54/1070320754.db2.gz YUJWSDDXTVWZMN-KRWDZBQOSA-N 1 1 466.594 1.614 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001502374661 1070320964 /nfs/dbraw/zinc/32/09/64/1070320964.db2.gz YUJWSDDXTVWZMN-QGZVFWFLSA-N 1 1 466.594 1.614 20 0 JDADMO C[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC001493630078 1070321636 /nfs/dbraw/zinc/32/16/36/1070321636.db2.gz BQWADJCGATXDBV-MOPGFXCFSA-N 1 1 452.669 1.833 20 0 JDADMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCCS(C)(=O)=O)C1 ZINC001493646706 1070323710 /nfs/dbraw/zinc/32/37/10/1070323710.db2.gz CXEPLGKZJOKUOH-VQTJNVASSA-N 1 1 480.679 1.926 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]([N@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502378177 1070322580 /nfs/dbraw/zinc/32/25/80/1070322580.db2.gz VBABPHSTYLUYGW-RXVVDRJESA-N 1 1 499.664 1.220 20 0 JDADMO C[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001493638722 1070322914 /nfs/dbraw/zinc/32/29/14/1070322914.db2.gz LQOOACHOHIGJKX-WOJBJXKFSA-N 1 1 459.639 1.970 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493667717 1070328480 /nfs/dbraw/zinc/32/84/80/1070328480.db2.gz OPZOZQKOOSBXPF-SFTDATJTSA-N 1 1 461.655 1.647 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC(N)=O)CC1 ZINC001493652536 1070325594 /nfs/dbraw/zinc/32/55/94/1070325594.db2.gz PZJRXZPKNWQLIV-RTBURBONSA-N 1 1 496.678 1.306 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCNS(C)(=O)=O)C1 ZINC001493651936 1070325873 /nfs/dbraw/zinc/32/58/73/1070325873.db2.gz WVYZXGDURURKGW-QRVBRYPASA-N 1 1 454.641 1.422 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)O)C1 ZINC001493652226 1070326000 /nfs/dbraw/zinc/32/60/00/1070326000.db2.gz YJHXSDBUWWTDOZ-HSALFYBXSA-N 1 1 498.694 1.473 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 ZINC001493667709 1070328600 /nfs/dbraw/zinc/32/86/00/1070328600.db2.gz ONTVFOMGWGWYIS-QHAWAJNXSA-N 1 1 498.694 1.738 20 0 JDADMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCNS(C)(=O)=O)C1 ZINC001493651935 1070326117 /nfs/dbraw/zinc/32/61/17/1070326117.db2.gz WVYZXGDURURKGW-GUDVDZBRSA-N 1 1 454.641 1.422 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001493661188 1070326412 /nfs/dbraw/zinc/32/64/12/1070326412.db2.gz HUBUIAPEXOCXOP-MJGOQNOKSA-N 1 1 474.631 1.925 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001493661186 1070326691 /nfs/dbraw/zinc/32/66/91/1070326691.db2.gz HUBUIAPEXOCXOP-IEBWSBKVSA-N 1 1 474.631 1.925 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001493654105 1070327023 /nfs/dbraw/zinc/32/70/23/1070327023.db2.gz ZRLPZAQBBZJGRV-MJGOQNOKSA-N 1 1 466.652 1.897 20 0 JDADMO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1O ZINC001493665959 1070327423 /nfs/dbraw/zinc/32/74/23/1070327423.db2.gz GPUOEQPQSWLLLG-FYQPLNBISA-N 1 1 484.667 1.083 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 ZINC001493666285 1070327455 /nfs/dbraw/zinc/32/74/55/1070327455.db2.gz HPUBSFWIVGVPEN-IEBWSBKVSA-N 1 1 454.641 1.864 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 ZINC001493667708 1070327795 /nfs/dbraw/zinc/32/77/95/1070327795.db2.gz ONTVFOMGWGWYIS-NJYVYQBISA-N 1 1 498.694 1.738 20 0 JDADMO C[C@H]1CCCC[N@H+]1CCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C ZINC001493667701 1070328144 /nfs/dbraw/zinc/32/81/44/1070328144.db2.gz OLQAHJSBTYHZJF-SFHVURJKSA-N 1 1 459.639 1.767 20 0 JDADMO C[C@@H]1CCCC[N@H+]1CCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001493667716 1070328903 /nfs/dbraw/zinc/32/89/03/1070328903.db2.gz OPZOZQKOOSBXPF-RTWAWAEBSA-N 1 1 461.655 1.647 20 0 JDADMO C[C@@H]1CCC[N@H+](C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(=O)N(C)C)CC2)C1 ZINC001493680785 1070333295 /nfs/dbraw/zinc/33/32/95/1070333295.db2.gz HUYZBNCDQFKSPM-LJQANCHMSA-N 1 1 471.654 1.399 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493672336 1070329386 /nfs/dbraw/zinc/32/93/86/1070329386.db2.gz BQHPMUHIFYVXHS-KZNAEPCWSA-N 1 1 481.667 1.210 20 0 JDADMO CC(C)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001493682825 1070333407 /nfs/dbraw/zinc/33/34/07/1070333407.db2.gz ULGGTBNWMAOEAU-PMACEKPBSA-N 1 1 494.706 1.995 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN(c3cnn(C)c3)CC2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493673881 1070329899 /nfs/dbraw/zinc/32/98/99/1070329899.db2.gz HYLUYBRQNSLGOO-IBGZPJMESA-N 1 1 471.654 1.987 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493673482 1070330121 /nfs/dbraw/zinc/33/01/21/1070330121.db2.gz GGNVNVLKFYNLCT-SJORKVTESA-N 1 1 485.699 1.750 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC001502385872 1070330226 /nfs/dbraw/zinc/33/02/26/1070330226.db2.gz BCIHCYMSZLZOMM-UHFFFAOYSA-N 1 1 457.623 1.973 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC001502385872 1070330242 /nfs/dbraw/zinc/33/02/42/1070330242.db2.gz BCIHCYMSZLZOMM-UHFFFAOYSA-N 1 1 457.623 1.973 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493677364 1070330729 /nfs/dbraw/zinc/33/07/29/1070330729.db2.gz RSXXQMCXEMQFHR-FDDCHVKYSA-N 1 1 480.679 1.942 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001493677376 1070331121 /nfs/dbraw/zinc/33/11/21/1070331121.db2.gz RSXXQMCXEMQFHR-WZONZLPQSA-N 1 1 480.679 1.942 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493677373 1070331604 /nfs/dbraw/zinc/33/16/04/1070331604.db2.gz RSXXQMCXEMQFHR-MBSDFSHPSA-N 1 1 480.679 1.942 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001493679721 1070332394 /nfs/dbraw/zinc/33/23/94/1070332394.db2.gz ZHGDTONTOVDLAA-BBWFWOEESA-N 1 1 469.656 1.101 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001502389374 1070333068 /nfs/dbraw/zinc/33/30/68/1070333068.db2.gz CABJUACWXZGABG-IBGZPJMESA-N 1 1 456.591 1.849 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001502389374 1070333087 /nfs/dbraw/zinc/33/30/87/1070333087.db2.gz CABJUACWXZGABG-IBGZPJMESA-N 1 1 456.591 1.849 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493687018 1070334308 /nfs/dbraw/zinc/33/43/08/1070334308.db2.gz AUIMKNHIUPEBIH-FGTMMUONSA-N 1 1 491.662 1.744 20 0 JDADMO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)[N@H+]1CCC[C@@H](C)C1 ZINC001493688988 1070334909 /nfs/dbraw/zinc/33/49/09/1070334909.db2.gz GZCGFPZILPWWEK-ZBRFXRBCSA-N 1 1 492.712 1.267 20 0 JDADMO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493687847 1070335365 /nfs/dbraw/zinc/33/53/65/1070335365.db2.gz DPALIPYNXMPUIE-NCXUSEDFSA-N 1 1 456.657 1.872 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001493690436 1070335396 /nfs/dbraw/zinc/33/53/96/1070335396.db2.gz KBIJATWRCCHNBW-ZWKOTPCHSA-N 1 1 469.656 1.008 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493690431 1070335477 /nfs/dbraw/zinc/33/54/77/1070335477.db2.gz KBIJATWRCCHNBW-MSOLQXFVSA-N 1 1 469.656 1.008 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001502391362 1070335439 /nfs/dbraw/zinc/33/54/39/1070335439.db2.gz JQGIYIJRVHGSLP-XLNZFTOWSA-N 1 1 478.638 1.249 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001493689189 1070335522 /nfs/dbraw/zinc/33/55/22/1070335522.db2.gz HKWFTMPTTWKBOB-VQTJNVASSA-N 1 1 476.670 1.183 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(N2CC[C@@](C)([NH+]3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001502391599 1070335736 /nfs/dbraw/zinc/33/57/36/1070335736.db2.gz PWEFEMDOVPHUFE-JWQCQUIFSA-N 1 1 492.665 1.782 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c(N2CC[C@H](C[NH+]3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001502391849 1070336543 /nfs/dbraw/zinc/33/65/43/1070336543.db2.gz SQYAOLIHTAKEPJ-NLFFAJNJSA-N 1 1 492.665 1.640 20 0 JDADMO C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[N@H+]1CCC[C@@H](C)C1 ZINC001493690843 1070336640 /nfs/dbraw/zinc/33/66/40/1070336640.db2.gz LDWUCTWTBCYQFL-VAMGGRTRSA-N 1 1 495.694 1.400 20 0 JDADMO CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC001502393835 1070339068 /nfs/dbraw/zinc/33/90/68/1070339068.db2.gz QESBLUCEANALQN-DYXWJJEUSA-N 1 1 492.665 1.854 20 0 JDADMO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001493709460 1070338885 /nfs/dbraw/zinc/33/88/85/1070338885.db2.gz CPSOQQRIWXKHOQ-FGTMMUONSA-N 1 1 454.641 1.261 20 0 JDADMO CCNC(=O)C1(Cn2c(C(=O)NC(CC)CC)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)CCC1 ZINC001502393946 1070338941 /nfs/dbraw/zinc/33/89/41/1070338941.db2.gz SZOYNYQLXRBZQO-DEOSSOPVSA-N 1 1 489.665 1.804 20 0 JDADMO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001493708436 1070338940 /nfs/dbraw/zinc/33/89/40/1070338940.db2.gz AOJMSGYZNPAKJY-HBFSDRIKSA-N 1 1 494.666 1.101 20 0 JDADMO C[C@H](Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493696458 1070338217 /nfs/dbraw/zinc/33/82/17/1070338217.db2.gz KMBVIYLHDPQXSW-QZTJIDSGSA-N 1 1 462.624 1.327 20 0 JDADMO C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493697447 1070339128 /nfs/dbraw/zinc/33/91/28/1070339128.db2.gz OIBLRJAKQYUIOW-NJDAHSKKSA-N 1 1 461.655 1.503 20 0 JDADMO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC001493708437 1070339362 /nfs/dbraw/zinc/33/93/62/1070339362.db2.gz AOJMSGYZNPAKJY-QWFCFKBJSA-N 1 1 494.666 1.101 20 0 JDADMO CCNC(=O)C1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CCC1 ZINC001502395249 1070339617 /nfs/dbraw/zinc/33/96/17/1070339617.db2.gz AHVCTEJWWGXIDK-IKGGRYGDSA-N 1 1 469.656 1.114 20 0 JDADMO CCNC(=O)C1(Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@H+](CC(=O)N(CC)CC)CC2)CCC1 ZINC001502399977 1070343779 /nfs/dbraw/zinc/34/37/79/1070343779.db2.gz VRHNLDBEUQLCKS-UHFFFAOYSA-N 1 1 484.649 1.960 20 0 JDADMO CCNC(=O)C1(Cn2c(-c3ccc[nH]3)nnc2N2CCC[N@@H+](CC(=O)N(CC)CC)CC2)CCC1 ZINC001502399977 1070343789 /nfs/dbraw/zinc/34/37/89/1070343789.db2.gz VRHNLDBEUQLCKS-UHFFFAOYSA-N 1 1 484.649 1.960 20 0 JDADMO C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC001493717337 1070339866 /nfs/dbraw/zinc/33/98/66/1070339866.db2.gz RFTXMCWGFPGXCS-MOPGFXCFSA-N 1 1 455.607 1.855 20 0 JDADMO CC(C)NC(=O)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493715239 1070340245 /nfs/dbraw/zinc/34/02/45/1070340245.db2.gz MGDMIROYFJZVFU-RTWAWAEBSA-N 1 1 496.660 1.558 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC001493791307 1070345650 /nfs/dbraw/zinc/34/56/50/1070345650.db2.gz GRKBENBUYGPHAU-NRFANRHFSA-N 1 1 483.665 1.894 20 0 JDADMO C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001493793944 1070346184 /nfs/dbraw/zinc/34/61/84/1070346184.db2.gz TYBOHTHSQRNBOJ-YRXWBPOGSA-N 1 1 468.668 1.999 20 0 JDADMO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795824 1070347169 /nfs/dbraw/zinc/34/71/69/1070347169.db2.gz HUNJEZZRIKOQNJ-SQNIBIBYSA-N 1 1 499.682 1.724 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493795722 1070347330 /nfs/dbraw/zinc/34/73/30/1070347330.db2.gz GEUNWUSTAIAAJQ-NHCUHLMSSA-N 1 1 488.681 1.281 20 0 JDADMO C[C@@H]1CCC[N@@H+](CCCCn2c(Nc3ccn(C)n3)nnc2[C@H]2CN(S(C)(=O)=O)CCO2)C1 ZINC001493795786 1070347548 /nfs/dbraw/zinc/34/75/48/1070347548.db2.gz HHBDRTNHVRDARO-QZTJIDSGSA-N 1 1 480.639 1.600 20 0 JDADMO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493796462 1070348683 /nfs/dbraw/zinc/34/86/83/1070348683.db2.gz LEZXCOIYZMAZNV-IAGOWNOFSA-N 1 1 495.616 1.695 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)C1 ZINC001493799102 1070349794 /nfs/dbraw/zinc/34/97/94/1070349794.db2.gz XCJGLLWTQVTMMM-ROUUACIJSA-N 1 1 490.634 1.127 20 0 JDADMO CC(C)NC(=O)c1nnc(N2CCN(C(=O)c3ccccc3O)CC2)n1CC[N@H+]1CCC[C@@H](C)C1 ZINC001493798901 1070349902 /nfs/dbraw/zinc/34/99/02/1070349902.db2.gz VFETWGTWQROZAW-LJQANCHMSA-N 1 1 483.617 1.816 20 0 JDADMO CC(C)NC(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001493804374 1070350640 /nfs/dbraw/zinc/35/06/40/1070350640.db2.gz FFZMSDUVSWNGQH-LJQANCHMSA-N 1 1 455.611 1.114 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](CN(C)S(C)(=O)=O)C2)C1 ZINC001493803716 1070350689 /nfs/dbraw/zinc/35/06/89/1070350689.db2.gz AJZCBIHRIRGHOQ-RBUKOAKNSA-N 1 1 478.667 1.518 20 0 JDADMO C[C@H]1CCC[N@@H+](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CCCO)CC2)C1 ZINC001493804028 1070350861 /nfs/dbraw/zinc/35/08/61/1070350861.db2.gz BYTGQMYAENOIBC-AZUAARDMSA-N 1 1 453.653 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C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494535505 1070627902 /nfs/dbraw/zinc/62/79/02/1070627902.db2.gz KEEGSKFKVPCUSP-GUDVDZBRSA-N 1 1 484.667 1.159 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)CCCO1 ZINC001494535952 1070627949 /nfs/dbraw/zinc/62/79/49/1070627949.db2.gz MCGXZSLVNZMCQA-HXUWFJFHSA-N 1 1 491.662 1.237 20 0 JDADMO C[C@H]([C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1)S(C)(=O)=O ZINC001494535502 1070627964 /nfs/dbraw/zinc/62/79/64/1070627964.db2.gz KEEGSKFKVPCUSP-CEXWTWQISA-N 1 1 484.667 1.159 20 0 JDADMO C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CN2CCCC2=O)n1CCC[N@H+]1CCCO[C@H](C)C1 ZINC001494535509 1070628111 /nfs/dbraw/zinc/62/81/11/1070628111.db2.gz KEEGSKFKVPCUSP-QYZOEREBSA-N 1 1 484.667 1.159 20 0 JDADMO C[C@@H]1C[N@@H+](CCCn2c(CC3CC3)nnc2N(C)C2CCN(S(C)(=O)=O)CC2)CCCO1 ZINC001494536467 1070628910 /nfs/dbraw/zinc/62/89/10/1070628910.db2.gz NUVHYHXRZXGNMS-GOSISDBHSA-N 1 1 468.668 1.592 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccccn3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CCCO1 ZINC001494536043 1070628953 /nfs/dbraw/zinc/62/89/53/1070628953.db2.gz NERINFCJOOUXDM-PZJWPPBQSA-N 1 1 476.647 1.778 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(Cc3ccncc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CCCO1 ZINC001494536427 1070629192 /nfs/dbraw/zinc/62/91/92/1070629192.db2.gz NLBWNNOJTPYVAT-ICSRJNTNSA-N 1 1 462.620 1.388 20 0 JDADMO C[C@H]1C[N@@H+](CCCn2c(CCOc3ccccc3)nnc2N2CCS(=O)(=O)CC2)CCCO1 ZINC001494538081 1070630058 /nfs/dbraw/zinc/63/00/58/1070630058.db2.gz SYVGLHMZXSISSM-FQEVSTJZSA-N 1 1 477.631 1.635 20 0 JDADMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(F)(F)F ZINC001494545142 1070631197 /nfs/dbraw/zinc/63/11/97/1070631197.db2.gz FWCRTUUXSONAMD-BZUAXINKSA-N 1 1 496.556 1.210 20 0 JDADMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 ZINC001494543753 1070631305 /nfs/dbraw/zinc/63/13/05/1070631305.db2.gz BIBCOFKKYFKKHP-WBVHZDCISA-N 1 1 451.597 1.356 20 0 JDADMO 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C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC[N@H+]2CCOC[C@@H]2C)CCN1CC(F)(F)F ZINC001494604291 1070657361 /nfs/dbraw/zinc/65/73/61/1070657361.db2.gz MQLNRHFAYAWWLE-HOTGVXAUSA-N 1 1 456.517 1.472 20 0 JDADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H]([N@H+]2CCCN(C(C)=O)CC2)C1 ZINC001502536400 1070663153 /nfs/dbraw/zinc/66/31/53/1070663153.db2.gz ZUFUGFXDPJYXMW-CTNGQTDRSA-N 1 1 489.665 1.708 20 0 JDADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC001502536078 1070662357 /nfs/dbraw/zinc/66/23/57/1070662357.db2.gz PMZXURSVHYVGFR-UHFFFAOYSA-N 1 1 477.654 1.710 20 0 JDADMO CCOC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@@H+](CC(=O)N(CC)CC)CC1 ZINC001502536078 1070662372 /nfs/dbraw/zinc/66/23/72/1070662372.db2.gz PMZXURSVHYVGFR-UHFFFAOYSA-N 1 1 477.654 1.710 20 0 JDADMO CCOC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001502537257 1070664600 /nfs/dbraw/zinc/66/46/00/1070664600.db2.gz UJZWBDBWCOWFRI-IAGOWNOFSA-N 1 1 458.629 1.004 20 0 JDADMO 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CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC001494906697 1070770400 /nfs/dbraw/zinc/77/04/00/1070770400.db2.gz YGUVNZBPKSBENL-GANZUKCXSA-N 1 1 472.638 1.699 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502681378 1070772449 /nfs/dbraw/zinc/77/24/49/1070772449.db2.gz HQMWQUBXQOLVLY-URXFXBBRSA-N 1 1 478.638 1.224 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502681380 1070772789 /nfs/dbraw/zinc/77/27/89/1070772789.db2.gz HQMWQUBXQOLVLY-ZJSXRUAMSA-N 1 1 478.638 1.224 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCC(N(C)C(C)=O)CC3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502681377 1070772842 /nfs/dbraw/zinc/77/28/42/1070772842.db2.gz HQMWQUBXQOLVLY-QPPBQGQZSA-N 1 1 478.638 1.224 20 0 JDADMO CCO[C@]1(c2nnc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)n2CCCC(=O)N(C)C)CCOC1 ZINC001502681885 1070775343 /nfs/dbraw/zinc/77/53/43/1070775343.db2.gz QMLVCQBNUHVENZ-GBXCKJPGSA-N 1 1 477.654 1.015 20 0 JDADMO 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CCO[C@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCC[C@H]2C)CCOC1 ZINC001502685174 1070792236 /nfs/dbraw/zinc/79/22/36/1070792236.db2.gz RQGCTEABCBLRSS-DYESRHJHSA-N 1 1 455.625 1.428 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC[N@H+]2CCC[C@H]2C)CCOC1 ZINC001502685174 1070792254 /nfs/dbraw/zinc/79/22/54/1070792254.db2.gz RQGCTEABCBLRSS-DYESRHJHSA-N 1 1 455.625 1.428 20 0 JDADMO COC1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[N@H+]2CCc3ccccc3C2)C1 ZINC001504031618 1070793369 /nfs/dbraw/zinc/79/33/69/1070793369.db2.gz KERJBOICKNQJMC-KRWDZBQOSA-N 1 1 462.620 1.562 20 0 JDADMO CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H]([N@H+]3CCCN(C(C)=O)CC3)C2)n1CCC(=O)N1CCOCC1 ZINC001495272688 1070800834 /nfs/dbraw/zinc/80/08/34/1070800834.db2.gz BWUCDPAUDJDLFZ-VWPQPMDRSA-N 1 1 489.665 1.419 20 0 JDADMO CCO[C@@]1(c2nnc(N3CCC4(CC3)NC(=O)N(C)C4=O)n2CC[N@@H+](C)[C@@H](C)CC)CCOC1 ZINC001502685434 1070794012 /nfs/dbraw/zinc/79/40/12/1070794012.db2.gz WHQCIABYMWPVAO-SBUREZEXSA-N 1 1 477.610 1.181 20 0 JDADMO CC[C@H](C)[C@H](Cn1c(N2CC[N@@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001495034712 1070794865 /nfs/dbraw/zinc/79/48/65/1070794865.db2.gz PANBXCCLFOOTCN-SRYPRDQNSA-N 1 1 451.612 1.901 20 0 JDADMO CC[C@H](C)[C@H](Cn1c(N2CC[N@H+]3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001495034712 1070794892 /nfs/dbraw/zinc/79/48/92/1070794892.db2.gz PANBXCCLFOOTCN-SRYPRDQNSA-N 1 1 451.612 1.901 20 0 JDADMO CC[C@H](C)[C@H](Cn1c(N2CC[N@@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001495034711 1070795199 /nfs/dbraw/zinc/79/51/99/1070795199.db2.gz PANBXCCLFOOTCN-MXBUBSDBSA-N 1 1 451.612 1.901 20 0 JDADMO CC[C@H](C)[C@H](Cn1c(N2CC[N@H+]3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1)OC ZINC001495034711 1070795211 /nfs/dbraw/zinc/79/52/11/1070795211.db2.gz PANBXCCLFOOTCN-MXBUBSDBSA-N 1 1 451.612 1.901 20 0 JDADMO CC[C@H](C)c1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001495044360 1070796338 /nfs/dbraw/zinc/79/63/38/1070796338.db2.gz QFINAOWXEDATNA-QYWGDWMGSA-N 1 1 450.609 1.703 20 0 JDADMO CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001495044358 1070796424 /nfs/dbraw/zinc/79/64/24/1070796424.db2.gz QFINAOWXEDATNA-MRUHUIDDSA-N 1 1 450.609 1.703 20 0 JDADMO CC[C@H](C)c1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001495044356 1070796640 /nfs/dbraw/zinc/79/66/40/1070796640.db2.gz QFINAOWXEDATNA-GCKMJXCFSA-N 1 1 450.609 1.703 20 0 JDADMO CC[C@H](C)c1nnc(N2C[C@H](C)[C@H]([NH+]3CCN(C(C)=O)CC3)C2)n1CC(=O)NCc1ccco1 ZINC001495278026 1070801162 /nfs/dbraw/zinc/80/11/62/1070801162.db2.gz VEJLCVJHVVFVKV-BBTUJRGHSA-N 1 1 471.606 1.690 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001502688001 1070798299 /nfs/dbraw/zinc/79/82/99/1070798299.db2.gz GSMKDJOUBRMJMI-MZLICYQSSA-N 1 1 479.622 1.676 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@H](C(=O)OC)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001502687999 1070798376 /nfs/dbraw/zinc/79/83/76/1070798376.db2.gz GSMKDJOUBRMJMI-DCLXLUIPSA-N 1 1 479.622 1.676 20 0 JDADMO CC[C@H](C)c1nnc(N2C[C@H]([N@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[C@H]1COCCO1 ZINC001495274116 1070800624 /nfs/dbraw/zinc/80/06/24/1070800624.db2.gz HDQNXBWYMNHCGD-LGGPRVQUSA-N 1 1 462.639 1.976 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCC[N@H+]2CCCO[C@@H](C)C2)CCOC1 ZINC001502690068 1070801963 /nfs/dbraw/zinc/80/19/63/1070801963.db2.gz DAMRMHJKVRFNKM-MZLICYQSSA-N 1 1 478.638 1.523 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@](C)(OC)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCOC1 ZINC001502690832 1070802372 /nfs/dbraw/zinc/80/23/72/1070802372.db2.gz NICWQCMLMSGYNQ-KSNOWIBYSA-N 1 1 492.665 1.878 20 0 JDADMO CCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC001546246071 1070802625 /nfs/dbraw/zinc/80/26/25/1070802625.db2.gz QISQVCCPRRCMKU-LJQANCHMSA-N 1 1 473.647 1.831 20 0 JDADMO CC[C@@H](C)c1nnc(N2CC[C@](C)([NH+]3CCOCC3)C2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001495386694 1070802832 /nfs/dbraw/zinc/80/28/32/1070802832.db2.gz IFSAXXFPERKFLT-OPYAIIAOSA-N 1 1 454.641 1.517 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOC1 ZINC001502691420 1070803176 /nfs/dbraw/zinc/80/31/76/1070803176.db2.gz UUSDSUBNUDOXJH-MZLICYQSSA-N 1 1 478.638 1.379 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001495419981 1070803402 /nfs/dbraw/zinc/80/34/02/1070803402.db2.gz FUNLULLAYBCSOP-HKUYNNGSSA-N 1 1 474.654 1.584 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001495419981 1070803404 /nfs/dbraw/zinc/80/34/04/1070803404.db2.gz FUNLULLAYBCSOP-HKUYNNGSSA-N 1 1 474.654 1.584 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001495419981 1070803405 /nfs/dbraw/zinc/80/34/05/1070803405.db2.gz FUNLULLAYBCSOP-HKUYNNGSSA-N 1 1 474.654 1.584 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001495423413 1070803442 /nfs/dbraw/zinc/80/34/42/1070803442.db2.gz WRJMUYNTYGFNAW-RXVVDRJESA-N 1 1 488.681 1.832 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@H](CNS(C)(=O)=O)C3)n2C[C@@H]2CCC[N@H+]2CC)CCOC1 ZINC001502692252 1070803536 /nfs/dbraw/zinc/80/35/36/1070803536.db2.gz BJMFJZLXQPSUKW-XQBPLPMBSA-N 1 1 484.667 1.180 20 0 JDADMO CO[C@@]1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCOC1 ZINC001504046027 1070803709 /nfs/dbraw/zinc/80/37/09/1070803709.db2.gz BDXJWUVZHLLYKT-DNVFCKCGSA-N 1 1 492.646 1.405 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCN(CC)CC1 ZINC001495450715 1070804173 /nfs/dbraw/zinc/80/41/73/1070804173.db2.gz NQDGGEJDVZUBNE-RBUKOAKNSA-N 1 1 469.700 1.583 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001495461239 1070804222 /nfs/dbraw/zinc/80/42/22/1070804222.db2.gz DIKUVEKPYUVDIT-AZUAARDMSA-N 1 1 497.710 1.595 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001495450714 1070804323 /nfs/dbraw/zinc/80/43/23/1070804323.db2.gz NQDGGEJDVZUBNE-OALUTQOASA-N 1 1 469.700 1.583 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@@H](NC(C)=O)C3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCOC1 ZINC001502692752 1070804479 /nfs/dbraw/zinc/80/44/79/1070804479.db2.gz ITDWAKPFSHDZQM-PQNGQFLHSA-N 1 1 478.638 1.392 20 0 JDADMO CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC(C)(C)C[NH+]2CCOCC2)CCOC1 ZINC001504047504 1070804542 /nfs/dbraw/zinc/80/45/42/1070804542.db2.gz LULWIRSPFPFANN-DEOSSOPVSA-N 1 1 487.605 1.526 20 0 JDADMO CC[C@@H](C)c1nnc(N2CC[C@@H]([NH+]3CCN(CC)CC3)C2)n1CCc1ccc(S(N)(=O)=O)cc1 ZINC001495476912 1070804912 /nfs/dbraw/zinc/80/49/12/1070804912.db2.gz OYYLLBJJICACPV-TZIWHRDSSA-N 1 1 489.690 1.898 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)[C@H](C)CC)CCOC1 ZINC001502695833 1070809262 /nfs/dbraw/zinc/80/92/62/1070809262.db2.gz SSWDYKJQSUUEIN-LVCYWYKZSA-N 1 1 457.641 1.674 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001495597695 1070809297 /nfs/dbraw/zinc/80/92/97/1070809297.db2.gz NEYULSVUOFVTBJ-VQTJNVASSA-N 1 1 498.694 1.533 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CC[N@H+]1CCOCC1(C)C ZINC001495597695 1070809298 /nfs/dbraw/zinc/80/92/98/1070809298.db2.gz NEYULSVUOFVTBJ-VQTJNVASSA-N 1 1 498.694 1.533 20 0 JDADMO COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC001504050597 1070806765 /nfs/dbraw/zinc/80/67/65/1070806765.db2.gz ZGBCGIFUOQEKFJ-QZTJIDSGSA-N 1 1 470.640 1.149 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](C)[NH+]1CCN(CC)CC1 ZINC001495580940 1070806906 /nfs/dbraw/zinc/80/69/06/1070806906.db2.gz YMOJWGGFDYJMHA-PCCBWWKXSA-N 1 1 483.727 1.925 20 0 JDADMO CC[C@@H](C)c1nnc(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001495587890 1070807878 /nfs/dbraw/zinc/80/78/78/1070807878.db2.gz KRCXWHIJDPFLHG-SJORKVTESA-N 1 1 459.599 1.434 20 0 JDADMO CCO[C@]1(c2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2C[C@]2(O)CC[N@@H+](C)C2)CCOC1 ZINC001502694877 1070807904 /nfs/dbraw/zinc/80/79/04/1070807904.db2.gz FSPXERCSWWMJHP-FFZOFVMBSA-N 1 1 477.528 1.545 20 0 JDADMO CC[C@H](C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001495588546 1070808281 /nfs/dbraw/zinc/80/82/81/1070808281.db2.gz OSOZUFZZKBSVFP-RBUKOAKNSA-N 1 1 468.668 1.907 20 0 JDADMO CCO[C@]1(c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CC[N@@H+](C)C(C)C)CCOC1 ZINC001502699666 1070810130 /nfs/dbraw/zinc/81/01/30/1070810130.db2.gz JJZLBHIBKVCTBX-WIYYLYMNSA-N 1 1 457.641 1.674 20 0 JDADMO CCO[C@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502700788 1070810529 /nfs/dbraw/zinc/81/05/29/1070810529.db2.gz RBLDZZALSIOTDA-ZRCGQRJVSA-N 1 1 499.678 1.181 20 0 JDADMO CCO[C@]1(c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCC[N@H+]2CCCO)CCOC1 ZINC001502700788 1070810531 /nfs/dbraw/zinc/81/05/31/1070810531.db2.gz RBLDZZALSIOTDA-ZRCGQRJVSA-N 1 1 499.678 1.181 20 0 JDADMO CC[C@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001495656788 1070810930 /nfs/dbraw/zinc/81/09/30/1070810930.db2.gz 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CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001503182157 1071130485 /nfs/dbraw/zinc/13/04/85/1071130485.db2.gz YROVVWCYGBGZRY-RTBURBONSA-N 1 1 480.610 1.534 20 0 JDADMO CCOCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001503182157 1071130493 /nfs/dbraw/zinc/13/04/93/1071130493.db2.gz YROVVWCYGBGZRY-RTBURBONSA-N 1 1 480.610 1.534 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC1CCN(CC[NH+](C)C)CC1 ZINC001504400023 1071135773 /nfs/dbraw/zinc/13/57/73/1071135773.db2.gz BNWRTCUAPXSBJC-HXUWFJFHSA-N 1 1 483.661 1.818 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001504401856 1071136294 /nfs/dbraw/zinc/13/62/94/1071136294.db2.gz UJTOODUPBGVGGZ-QUCCMNQESA-N 1 1 456.591 1.391 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001504400855 1071136424 /nfs/dbraw/zinc/13/64/24/1071136424.db2.gz NVQPYNKLHINABU-RTBURBONSA-N 1 1 456.591 1.513 20 0 JDADMO 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CCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCN(C(C)=O)CC2)C1 ZINC001503210585 1071155297 /nfs/dbraw/zinc/15/52/97/1071155297.db2.gz LFDSYKMQQZYTSH-UZLBHIALSA-N 1 1 461.636 1.659 20 0 JDADMO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001503210113 1071153556 /nfs/dbraw/zinc/15/35/56/1071153556.db2.gz GOMMXJCGLYYCCJ-IBGZPJMESA-N 1 1 464.611 1.950 20 0 JDADMO CCOCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001503210113 1071153567 /nfs/dbraw/zinc/15/35/67/1071153567.db2.gz GOMMXJCGLYYCCJ-IBGZPJMESA-N 1 1 464.611 1.950 20 0 JDADMO COc1ccccc1Cc1nnc(N2CC[NH+](CCOC(C)C)CC2)n1Cc1nncn1C ZINC001504411798 1071159253 /nfs/dbraw/zinc/15/92/53/1071159253.db2.gz UJMBOJDYYBWJQG-UHFFFAOYSA-N 1 1 454.579 1.601 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@@H]1CC ZINC001503215102 1071163110 /nfs/dbraw/zinc/16/31/10/1071163110.db2.gz BKZAZWDIKKKCLC-SFHVURJKSA-N 1 1 456.657 1.548 20 0 JDADMO 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CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1CC ZINC001503216766 1071165951 /nfs/dbraw/zinc/16/59/51/1071165951.db2.gz QOPGFBWFNHYLPC-MSOLQXFVSA-N 1 1 470.565 1.875 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)C[C@H]1CC ZINC001503216730 1071165997 /nfs/dbraw/zinc/16/59/97/1071165997.db2.gz PXBCLCIOSMARTB-OAQYLSRUSA-N 1 1 497.644 1.688 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001504414208 1071166076 /nfs/dbraw/zinc/16/60/76/1071166076.db2.gz ATIUYXYASFAEED-RTBURBONSA-N 1 1 461.632 1.946 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1CC ZINC001503216769 1071166035 /nfs/dbraw/zinc/16/60/35/1071166035.db2.gz QOPGFBWFNHYLPC-QZTJIDSGSA-N 1 1 470.565 1.875 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)C(=O)NC)CC1 ZINC001503216916 1071167210 /nfs/dbraw/zinc/16/72/10/1071167210.db2.gz GXVHKNSDMUXVNE-UHFFFAOYSA-N 1 1 496.454 1.977 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC(F)(F)C2)CC1 ZINC001503217521 1071167855 /nfs/dbraw/zinc/16/78/55/1071167855.db2.gz PHERGFFLMMEKDF-JKSUJKDBSA-N 1 1 464.583 1.482 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N2CCOCC2)CC1 ZINC001503217609 1071167927 /nfs/dbraw/zinc/16/79/27/1071167927.db2.gz RGYMVJDXYJHKLH-UHFFFAOYSA-N 1 1 462.982 1.616 20 0 JDADMO COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001504415909 1071168005 /nfs/dbraw/zinc/16/80/05/1071168005.db2.gz MVOAPYMVZDHVLN-UHFFFAOYSA-N 1 1 460.648 1.472 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(C(C)(C)C)n2CCN2CCCS2(=O)=O)C[C@H]1CC ZINC001503215100 1071163388 /nfs/dbraw/zinc/16/33/88/1071163388.db2.gz BKZAZWDIKKKCLC-GOSISDBHSA-N 1 1 456.657 1.548 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 ZINC001503215351 1071163542 /nfs/dbraw/zinc/16/35/42/1071163542.db2.gz SXLHJIBQPZOLGV-UHFFFAOYSA-N 1 1 483.617 1.331 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C[C@@H]1CC ZINC001503220499 1071174433 /nfs/dbraw/zinc/17/44/33/1071174433.db2.gz LHRUGNFNXVGPQJ-ROUUACIJSA-N 1 1 461.611 1.212 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(C(N)=O)CCOCC2)CC1 ZINC001503220125 1071174822 /nfs/dbraw/zinc/17/48/22/1071174822.db2.gz JSMZHPXDVPZVSV-UHFFFAOYSA-N 1 1 470.618 1.948 20 0 JDADMO CCOCC[NH+]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001503220434 1071174697 /nfs/dbraw/zinc/17/46/97/1071174697.db2.gz MBEXITJCOUBNDA-UHFFFAOYSA-N 1 1 470.618 1.915 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C[C@H]1CC ZINC001503219799 1071173417 /nfs/dbraw/zinc/17/34/17/1071173417.db2.gz QFAAMRJPUOGPRZ-NHCUHLMSSA-N 1 1 459.639 1.941 20 0 JDADMO CCOCC[N@H+]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C[C@@H]1CC ZINC001503219800 1071173619 /nfs/dbraw/zinc/17/36/19/1071173619.db2.gz QFAAMRJPUOGPRZ-RTWAWAEBSA-N 1 1 459.639 1.941 20 0 JDADMO 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ZINC001465411223 1067796060 /nfs/dbraw/zinc/79/60/60/1067796060.db2.gz CPUSMCRMHCBKDG-MSOLQXFVSA-N 1 1 450.605 1.528 20 0 JDADMO COc1ccc(C2N=NC(=S)N2CC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001465424700 1067797721 /nfs/dbraw/zinc/79/77/21/1067797721.db2.gz GONALAYDJDLZQM-QHCPKHFHSA-N 1 1 453.568 1.996 20 0 JDADMO CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)=NO2)C1 ZINC001465425340 1067798334 /nfs/dbraw/zinc/79/83/34/1067798334.db2.gz ZLIJDSZUMVAEIO-RPWUZVMVSA-N 1 1 458.559 1.896 20 0 JDADMO CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CC[N@H+]3C3CCCC3)C2)CC1 ZINC001465434703 1067799915 /nfs/dbraw/zinc/79/99/15/1067799915.db2.gz AGMLKHUBBIWFHT-SFHVURJKSA-N 1 1 456.609 1.097 20 0 JDADMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)N3CC[C@@](C(=O)NC)(C(F)(F)F)C3)cc2)CC1 ZINC001465466662 1067802851 /nfs/dbraw/zinc/80/28/51/1067802851.db2.gz PTGDJZLSWIQNNZ-HXUWFJFHSA-N 1 1 455.481 1.997 20 0 JDADMO CN1CC[NH+](CCOc2ccc(NC(=O)CCn3[nH]c(=O)c4ccccc4c3=O)cc2)CC1 ZINC001465470868 1067803275 /nfs/dbraw/zinc/80/32/75/1067803275.db2.gz QMZLHRKVNLYICD-UHFFFAOYSA-N 1 1 451.527 1.757 20 0 JDADMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 ZINC001465481058 1067804244 /nfs/dbraw/zinc/80/42/44/1067804244.db2.gz XDRXZZYPKIGQIA-DLBZAZTESA-N 1 1 455.577 1.800 20 0 JDADMO C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001465484798 1067804520 /nfs/dbraw/zinc/80/45/20/1067804520.db2.gz PWWCZYQDLHRPBO-FUHIMQAGSA-N 1 1 451.614 1.899 20 0 JDADMO CCc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001465486773 1067804810 /nfs/dbraw/zinc/80/48/10/1067804810.db2.gz SLRFWDNLCWLELR-GOSISDBHSA-N 1 1 451.589 1.064 20 0 JDADMO Cn1cc(C2=NO[C@H](C(=O)N3CCC(C(=O)NCC[N@@H+](C)Cc4ccccc4)CC3)C2)cn1 ZINC001465495689 1067805520 /nfs/dbraw/zinc/80/55/20/1067805520.db2.gz JMTZWABFRXQWSZ-QFIPXVFZSA-N 1 1 452.559 1.400 20 0 JDADMO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC001465508578 1067806700 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/nfs/dbraw/zinc/80/87/58/1067808758.db2.gz FSQDODXJXVOFFW-KRWDZBQOSA-N 1 1 451.593 1.534 20 0 JDADMO COCCC[N@@H+](C)CCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O ZINC001465541347 1067809056 /nfs/dbraw/zinc/80/90/56/1067809056.db2.gz ARDFXXJSKGSAGT-LJQANCHMSA-N 1 1 455.353 1.301 20 0 JDADMO C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H](CC(N)=O)c3ccccc3)c2)CC1 ZINC001465539640 1067809064 /nfs/dbraw/zinc/80/90/64/1067809064.db2.gz RYGPKQLDCZKZMB-FQEVSTJZSA-N 1 1 459.572 1.751 20 0 JDADMO C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H](CC(N)=O)c3ccccc3)c2)CC1 ZINC001465539640 1067809067 /nfs/dbraw/zinc/80/90/67/1067809067.db2.gz RYGPKQLDCZKZMB-FQEVSTJZSA-N 1 1 459.572 1.751 20 0 JDADMO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001465539549 1067809076 /nfs/dbraw/zinc/80/90/76/1067809076.db2.gz OXJUMIWNKJZLRF-QFBILLFUSA-N 1 1 452.577 1.866 20 0 JDADMO COC(=O)C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001465539549 1067809077 /nfs/dbraw/zinc/80/90/77/1067809077.db2.gz OXJUMIWNKJZLRF-QFBILLFUSA-N 1 1 452.577 1.866 20 0 JDADMO CCC1(CC)CNC(=O)[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC001465539783 1067809089 /nfs/dbraw/zinc/80/90/89/1067809089.db2.gz XMVKIAPOCPQFJO-SFHVURJKSA-N 1 1 451.593 1.439 20 0 JDADMO CCC1(CC)CNC(=O)[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC001465539783 1067809091 /nfs/dbraw/zinc/80/90/91/1067809091.db2.gz XMVKIAPOCPQFJO-SFHVURJKSA-N 1 1 451.593 1.439 20 0 JDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC001465546350 1067809610 /nfs/dbraw/zinc/80/96/10/1067809610.db2.gz MDPRWCWMIDAWIT-IBGZPJMESA-N 1 1 456.591 1.373 20 0 JDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC001465546216 1067809669 /nfs/dbraw/zinc/80/96/69/1067809669.db2.gz IEGAGFFLABDZDC-HKUYNNGSSA-N 1 1 457.497 1.816 20 0 JDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC001465546217 1067809708 /nfs/dbraw/zinc/80/97/08/1067809708.db2.gz IEGAGFFLABDZDC-IEBWSBKVSA-N 1 1 457.497 1.816 20 0 JDADMO COc1ccccc1[C@@H](CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC001465546431 1067809968 /nfs/dbraw/zinc/80/99/68/1067809968.db2.gz OQTYTEQLOSYERB-OAQYLSRUSA-N 1 1 455.559 1.761 20 0 JDADMO CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 ZINC001465546448 1067809997 /nfs/dbraw/zinc/80/99/97/1067809997.db2.gz PGMPENMOHBHASZ-DHIUTWEWSA-N 1 1 467.570 1.553 20 0 JDADMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001465549835 1067810236 /nfs/dbraw/zinc/81/02/36/1067810236.db2.gz CMBUZJJPFVYXON-AZUAARDMSA-N 1 1 451.976 1.712 20 0 JDADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1=O ZINC001465612072 1067814512 /nfs/dbraw/zinc/81/45/12/1067814512.db2.gz ARLXOELVMDMECI-MOPGFXCFSA-N 1 1 458.559 1.196 20 0 JDADMO C[NH+](C)CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CCS(=O)(=O)C1 ZINC001465665887 1067817951 /nfs/dbraw/zinc/81/79/51/1067817951.db2.gz KREJIIZGSMRCPA-CYBMUJFWSA-N 1 1 456.366 1.221 20 0 JDADMO C[NH+](C)CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001465665586 1067817970 /nfs/dbraw/zinc/81/79/70/1067817970.db2.gz DIQRCECDAONBNM-MRXNPFEDSA-N 1 1 455.378 1.826 20 0 JDADMO C[NH+](C)CCN(C(=O)c1cccc(F)c1I)[C@H]1CCS(=O)(=O)C1 ZINC001465665590 1067818078 /nfs/dbraw/zinc/81/80/78/1067818078.db2.gz DLCUIXCMRSTEQG-NSHDSACASA-N 1 1 454.305 1.621 20 0 JDADMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001465685965 1067819987 /nfs/dbraw/zinc/81/99/87/1067819987.db2.gz QQKNJWIVERRWCB-IBGZPJMESA-N 1 1 458.588 1.481 20 0 JDADMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC001465685965 1067819988 /nfs/dbraw/zinc/81/99/88/1067819988.db2.gz QQKNJWIVERRWCB-IBGZPJMESA-N 1 1 458.588 1.481 20 0 JDADMO Cc1c(NC(=O)NC[C@@]2(CO)COC[C@@H]3CCC[N@H+]32)cccc1S(=O)(=O)NC(C)(C)C ZINC001465695639 1067820897 /nfs/dbraw/zinc/82/08/97/1067820897.db2.gz FQTMAOUXUXUYEJ-HRAATJIYSA-N 1 1 454.593 1.419 20 0 JDADMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001465736715 1067824928 /nfs/dbraw/zinc/82/49/28/1067824928.db2.gz RWPYDIJUXAHJEV-CYBMUJFWSA-N 1 1 451.467 1.080 20 0 JDADMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC001465736716 1067824968 /nfs/dbraw/zinc/82/49/68/1067824968.db2.gz RWPYDIJUXAHJEV-ZDUSSCGKSA-N 1 1 451.467 1.080 20 0 JDADMO C[NH+]1CCN(C(=O)CC2CCN(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)CC1 ZINC001465743684 1067825515 /nfs/dbraw/zinc/82/55/15/1067825515.db2.gz PNXULQFAIZLOEZ-IBGZPJMESA-N 1 1 455.559 1.300 20 0 JDADMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@H](O)COc2ccccc2Br)CC1 ZINC001465787700 1067830676 /nfs/dbraw/zinc/83/06/76/1067830676.db2.gz QIAOCZCQXMPRLQ-INIZCTEOSA-N 1 1 451.365 1.951 20 0 JDADMO Cn1ccnc1C[NH+]1CCC(C(=O)NC[C@@H](O)COc2ccccc2Br)CC1 ZINC001465787703 1067830706 /nfs/dbraw/zinc/83/07/06/1067830706.db2.gz QIAOCZCQXMPRLQ-MRXNPFEDSA-N 1 1 451.365 1.951 20 0 JDADMO CCN1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC001465804875 1067832590 /nfs/dbraw/zinc/83/25/90/1067832590.db2.gz XQIAINVACACVAQ-HXUWFJFHSA-N 1 1 458.607 1.102 20 0 JDADMO CCN1CCN(C(=O)Cc2ccc(NC(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC001465804874 1067832653 /nfs/dbraw/zinc/83/26/53/1067832653.db2.gz XQIAINVACACVAQ-FQEVSTJZSA-N 1 1 458.607 1.102 20 0 JDADMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)C2)cc(OC)c1 ZINC001465826158 1067834345 /nfs/dbraw/zinc/83/43/45/1067834345.db2.gz PADZHIURVNZNDD-SJLPKXTDSA-N 1 1 451.527 1.733 20 0 JDADMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)C3=NN(c4ccccc4)C(=O)[C@@H](C)N3)C2)cc(OC)c1 ZINC001465826158 1067834347 /nfs/dbraw/zinc/83/43/47/1067834347.db2.gz PADZHIURVNZNDD-SJLPKXTDSA-N 1 1 451.527 1.733 20 0 JDADMO CC1(C)CCc2c(sc(NC(=O)NCC[N@H+]3CC[C@H](O)C3)c2C(=O)N2CCOCC2)C1 ZINC001465851715 1067836309 /nfs/dbraw/zinc/83/63/09/1067836309.db2.gz BYRLMWIHUZCCNU-HNNXBMFYSA-N 1 1 450.605 1.924 20 0 JDADMO CNS(=O)(=O)c1cccc(NC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001465884064 1067839144 /nfs/dbraw/zinc/83/91/44/1067839144.db2.gz ALSOPZHZJGXKKZ-UHFFFAOYSA-N 1 1 451.593 1.311 20 0 JDADMO CN(C)C(=O)CNC(=O)c1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1Cl ZINC001465900247 1067840858 /nfs/dbraw/zinc/84/08/58/1067840858.db2.gz QIFPCAHTCNPADK-DLBZAZTESA-N 1 1 453.996 1.859 20 0 JDADMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC[N@H+]1C ZINC001465959416 1067846987 /nfs/dbraw/zinc/84/69/87/1067846987.db2.gz JEUBPPBOETUAKF-IRXDYDNUSA-N 1 1 453.609 1.720 20 0 JDADMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)CC1 ZINC001466043088 1067853536 /nfs/dbraw/zinc/85/35/36/1067853536.db2.gz DUODWESEOJTSGE-UHFFFAOYSA-N 1 1 455.563 1.688 20 0 JDADMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2-n2cc(C)cn2)CC1 ZINC001466043088 1067853537 /nfs/dbraw/zinc/85/35/37/1067853537.db2.gz DUODWESEOJTSGE-UHFFFAOYSA-N 1 1 455.563 1.688 20 0 JDADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)cc2)CC1 ZINC001466061329 1067855032 /nfs/dbraw/zinc/85/50/32/1067855032.db2.gz ROQYSLFOCLEJPI-LJQANCHMSA-N 1 1 450.605 1.247 20 0 JDADMO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)cc2)CC1 ZINC001466061328 1067855123 /nfs/dbraw/zinc/85/51/23/1067855123.db2.gz ROQYSLFOCLEJPI-IBGZPJMESA-N 1 1 450.605 1.247 20 0 JDADMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)CC1=O ZINC001466077621 1067857295 /nfs/dbraw/zinc/85/72/95/1067857295.db2.gz WFGGURHZGWBRPQ-RDJZCZTQSA-N 1 1 451.545 1.148 20 0 JDADMO C[N@@H+]1CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC001466099491 1067859369 /nfs/dbraw/zinc/85/93/69/1067859369.db2.gz QJQOGUBJXYMDHS-OTWHNJEPSA-N 1 1 455.939 1.680 20 0 JDADMO C[N@H+]1CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC001466099491 1067859374 /nfs/dbraw/zinc/85/93/74/1067859374.db2.gz QJQOGUBJXYMDHS-OTWHNJEPSA-N 1 1 455.939 1.680 20 0 JDADMO O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC001466123181 1067861872 /nfs/dbraw/zinc/86/18/72/1067861872.db2.gz RVBVWULAAKJAOW-QGZVFWFLSA-N 1 1 456.547 1.811 20 0 JDADMO CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1=O ZINC001466131759 1067863167 /nfs/dbraw/zinc/86/31/67/1067863167.db2.gz KCOLIJPCSQAAHY-TZIWHRDSSA-N 1 1 450.539 1.182 20 0 JDADMO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1=O ZINC001466132735 1067863334 /nfs/dbraw/zinc/86/33/34/1067863334.db2.gz NOZFDUKCAYMFKG-PWRODBHTSA-N 1 1 459.587 1.566 20 0 JDADMO Cc1[nH]nc(I)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC001466133464 1067863729 /nfs/dbraw/zinc/86/37/29/1067863729.db2.gz SGRMCAXAQUXPTA-HUUCEWRRSA-N 1 1 454.312 1.936 20 0 JDADMO CCC[C@@H]1CN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC[N@H+]1CCOC ZINC001466180405 1067867780 /nfs/dbraw/zinc/86/77/80/1067867780.db2.gz WFAFQJPVOFJOGH-MOPGFXCFSA-N 1 1 454.612 1.709 20 0 JDADMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1=O ZINC001466186193 1067868090 /nfs/dbraw/zinc/86/80/90/1067868090.db2.gz CCJDCEIJBBMZJH-SJORKVTESA-N 1 1 456.634 1.092 20 0 JDADMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1=O ZINC001466186191 1067868124 /nfs/dbraw/zinc/86/81/24/1067868124.db2.gz CCJDCEIJBBMZJH-IAGOWNOFSA-N 1 1 456.634 1.092 20 0 JDADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 ZINC001466189934 1067868425 /nfs/dbraw/zinc/86/84/25/1067868425.db2.gz XLQAYNIVVUROLY-DLBZAZTESA-N 1 1 459.996 1.326 20 0 JDADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC001466189937 1067868454 /nfs/dbraw/zinc/86/84/54/1067868454.db2.gz XLQAYNIVVUROLY-SJORKVTESA-N 1 1 459.996 1.326 20 0 JDADMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 ZINC001466191589 1067868627 /nfs/dbraw/zinc/86/86/27/1067868627.db2.gz DFRJCHARHPDKFW-JTQLQIEISA-N 1 1 454.774 1.279 20 0 JDADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 ZINC001466191591 1067868710 /nfs/dbraw/zinc/86/87/10/1067868710.db2.gz DFRJCHARHPDKFW-SNVBAGLBSA-N 1 1 454.774 1.279 20 0 JDADMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 ZINC001466194119 1067869596 /nfs/dbraw/zinc/86/95/96/1067869596.db2.gz SWGQIIMFCILMGP-QZTJIDSGSA-N 1 1 450.584 1.769 20 0 JDADMO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1 ZINC001466252129 1067872064 /nfs/dbraw/zinc/87/20/64/1067872064.db2.gz FKYNMIIPLWCAES-OAQYLSRUSA-N 1 1 450.649 1.786 20 0 JDADMO C[C@@H]1[C@H](C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NC[C@@H]2CCCO2)CC[N@H+]1C ZINC001466270670 1067873918 /nfs/dbraw/zinc/87/39/18/1067873918.db2.gz XNXYPIIPUYKMMO-ZIFCJYIRSA-N 1 1 466.604 1.577 20 0 JDADMO CNC(=O)CNC(=O)c1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3C)CCO2)c1 ZINC001466343526 1067880266 /nfs/dbraw/zinc/88/02/66/1067880266.db2.gz XMCQNBJKFVGCMK-NRFANRHFSA-N 1 1 453.543 1.493 20 0 JDADMO 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CNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COCC4CC4)[N@@H+](CCOC)C3)CC2)nc1 ZINC001164789570 721467047 /nfs/dbraw/zinc/46/70/47/721467047.db2.gz OHRHEFUALRWAAB-IBGZPJMESA-N 1 1 452.621 1.724 20 0 JDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N3CCC[C@@H]3C(N)=O)ncn1)CC2 ZINC001164791297 721469858 /nfs/dbraw/zinc/46/98/58/721469858.db2.gz WRMRAWOVQKWNBX-NHCUHLMSSA-N 1 1 472.634 1.665 20 0 JDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N3CCC[C@H]3C(N)=O)ncn1)CC2 ZINC001164791299 721469931 /nfs/dbraw/zinc/46/99/31/721469931.db2.gz WRMRAWOVQKWNBX-SFTDATJTSA-N 1 1 472.634 1.665 20 0 JDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164788115 721473198 /nfs/dbraw/zinc/47/31/98/721473198.db2.gz IEINLUDLUGHKLU-QGZVFWFLSA-N 1 1 456.584 1.602 20 0 JDADMO C[NH+]1CCN(c2nccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)N4c4nccs4)C3)n2)CC1 ZINC001164902458 721495248 /nfs/dbraw/zinc/49/52/48/721495248.db2.gz ZWOXICPPERAEEY-CEXWTWQISA-N 1 1 466.619 1.450 20 0 JDADMO 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O=S(=O)(c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCOCC1 ZINC001164980893 722140541 /nfs/dbraw/zinc/14/05/41/722140541.db2.gz NKFPAXXXERAPSV-RBBKRZOGSA-N 1 1 473.599 1.225 20 0 JDADMO O=C(c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCS(=O)(=O)CC1 ZINC001164984244 722148188 /nfs/dbraw/zinc/14/81/88/722148188.db2.gz WVFIIYUGWXBAKQ-FGZHOGPDSA-N 1 1 485.610 1.075 20 0 JDADMO O=C(NC1CCOCC1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nn1 ZINC001164983300 722148649 /nfs/dbraw/zinc/14/86/49/722148649.db2.gz TVFNANUDHDEQLA-KNQAVFIVSA-N 1 1 452.559 1.508 20 0 JDADMO Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2nc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164993656 722193846 /nfs/dbraw/zinc/19/38/46/722193846.db2.gz GWRUOMKRNHGGGA-VWLOTQADSA-N 1 1 483.592 1.929 20 0 JDADMO Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2nc(N4CCOCC4)nc(N4CCOCC4)n2)C3)c1 ZINC001164993655 722193923 /nfs/dbraw/zinc/19/39/23/722193923.db2.gz GWRUOMKRNHGGGA-RUZDIDTESA-N 1 1 483.592 1.929 20 0 JDADMO 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