smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000159858148 206266318 /nfs/dbraw/zinc/26/63/18/206266318.db2.gz RGZDBRHMEXNACI-KRWDZBQOSA-N 2 0 346.519 2.853 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159938522 206271302 /nfs/dbraw/zinc/27/13/02/206271302.db2.gz ODSNYJAXUFDDOI-SFHVURJKSA-N 2 0 346.519 2.634 20 70 EFIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000160205478 206285496 /nfs/dbraw/zinc/28/54/96/206285496.db2.gz TWOXXAPOBFPKIL-SFHVURJKSA-N 2 0 349.519 2.771 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000160261209 206287130 /nfs/dbraw/zinc/28/71/30/206287130.db2.gz LAVLRQVRVTWDQN-CQSZACIVSA-N 2 0 341.446 2.965 20 70 EFIDRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000160502700 206300018 /nfs/dbraw/zinc/30/00/18/206300018.db2.gz MZBIRBIPVGEDPQ-HNNXBMFYSA-N 2 0 340.475 2.720 20 70 EFIDRP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000160740617 206310883 /nfs/dbraw/zinc/31/08/83/206310883.db2.gz NJPXRBFGTLSSHA-JKSUJKDBSA-N 2 0 336.476 2.591 20 70 EFIDRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161004660 206322124 /nfs/dbraw/zinc/32/21/24/206322124.db2.gz YHHSDJSOFSRQQD-MCIONIFRSA-N 2 0 338.883 2.915 20 70 EFIDRP c1ccc(-c2noc(CCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000161368436 544813561 /nfs/dbraw/zinc/81/35/61/544813561.db2.gz POTJVKAPBCMFJC-UHFFFAOYSA-N 2 0 349.438 2.886 20 70 EFIDRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000160288742 310697395 /nfs/dbraw/zinc/69/73/95/310697395.db2.gz PKMTWPUSQXSEJY-QFBILLFUSA-N 2 0 331.504 2.964 20 70 EFIDRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161124839 473209170 /nfs/dbraw/zinc/20/91/70/473209170.db2.gz IQVADGMGPYJXQV-HNJRGHQBSA-N 2 0 330.520 2.754 20 70 EFIDRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000161274249 473222798 /nfs/dbraw/zinc/22/27/98/473222798.db2.gz GGRBKRMEOOKFJF-UHFFFAOYSA-N 2 0 341.883 2.984 20 70 EFIDRP CCC(CC)(C[NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161293394 473224892 /nfs/dbraw/zinc/22/48/92/473224892.db2.gz VUAQEGPBOWIUJK-SFHVURJKSA-N 2 0 331.504 2.732 20 70 EFIDRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000160267868 473101865 /nfs/dbraw/zinc/10/18/65/473101865.db2.gz XJPDQGIFPXCRIA-KBPBESRZSA-N 2 0 343.313 2.888 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000160293721 473105358 /nfs/dbraw/zinc/10/53/58/473105358.db2.gz MYYHQENEJKZIOQ-INIZCTEOSA-N 2 0 330.476 2.992 20 70 EFIDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@@H]21 ZINC000160287576 473105565 /nfs/dbraw/zinc/10/55/65/473105565.db2.gz GWNNWWKWLFVKMD-MSOLQXFVSA-N 2 0 335.536 2.687 20 70 EFIDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000160358435 473112703 /nfs/dbraw/zinc/11/27/03/473112703.db2.gz UHERDZGALWAINW-LEWJYISDSA-N 2 0 345.531 2.729 20 70 EFIDRP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160782482 473174903 /nfs/dbraw/zinc/17/49/03/473174903.db2.gz XCYLEARHQFXHEG-KRWDZBQOSA-N 2 0 336.524 2.615 20 70 EFIDRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000160918870 473190727 /nfs/dbraw/zinc/19/07/27/473190727.db2.gz XZFFMHRAKAIZMX-GOSISDBHSA-N 2 0 338.540 2.669 20 70 EFIDRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC000161213534 522655603 /nfs/dbraw/zinc/65/56/03/522655603.db2.gz XMXPVHQKUUOVFR-ICSRJNTNSA-N 2 0 332.488 2.548 20 70 EFIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161069190 290049463 /nfs/dbraw/zinc/04/94/63/290049463.db2.gz UKTRLOGLFKNIQS-JQFCIGGWSA-N 2 0 339.505 2.582 20 70 EFIDRP COc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000160163873 286428475 /nfs/dbraw/zinc/42/84/75/286428475.db2.gz LERROANOOMNPSL-LJQANCHMSA-N 2 0 347.503 2.525 20 70 EFIDRP Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000161052370 544810323 /nfs/dbraw/zinc/81/03/23/544810323.db2.gz HRDMUYXVNWIIKU-KRWDZBQOSA-N 2 0 343.515 2.920 20 70 EFIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161068952 290011743 /nfs/dbraw/zinc/01/17/43/290011743.db2.gz UKTRLOGLFKNIQS-XKQJLSEDSA-N 2 0 339.505 2.582 20 70 EFIDRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000160288620 310697378 /nfs/dbraw/zinc/69/73/78/310697378.db2.gz PKMTWPUSQXSEJY-APWZRJJASA-N 2 0 331.504 2.964 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000161110288 473207110 /nfs/dbraw/zinc/20/71/10/473207110.db2.gz NDHKCDRASFCGSH-FQEVSTJZSA-N 2 0 343.515 2.889 20 70 EFIDRP CCc1nn(C)c(CC)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000161187156 473215691 /nfs/dbraw/zinc/21/56/91/473215691.db2.gz UDKQNWOGTCYLKI-IYBDPMFKSA-N 2 0 336.524 2.524 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@@H](NC[C@@H]2CCCC[NH+]2CC)[C@@H](C)C1 ZINC000161173962 473214286 /nfs/dbraw/zinc/21/42/86/473214286.db2.gz DDIHRWALZRDKFW-GBESFXJTSA-N 2 0 325.541 2.587 20 70 EFIDRP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161198617 473217460 /nfs/dbraw/zinc/21/74/60/473217460.db2.gz PMOUKMDJCHCVPF-IBGZPJMESA-N 2 0 334.504 2.938 20 70 EFIDRP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161210597 473218335 /nfs/dbraw/zinc/21/83/35/473218335.db2.gz KAAAODATCIFMOU-LSTHTHJFSA-N 2 0 343.515 2.716 20 70 EFIDRP CCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000160092236 473087415 /nfs/dbraw/zinc/08/74/15/473087415.db2.gz LASVLKIFONDSNM-CALCHBBNSA-N 2 0 342.487 2.802 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160276300 473104237 /nfs/dbraw/zinc/10/42/37/473104237.db2.gz PAVBXVINEDASGB-FXAWDEMLSA-N 2 0 333.520 2.837 20 70 EFIDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000160897872 473187882 /nfs/dbraw/zinc/18/78/82/473187882.db2.gz YTJXGYOEQCINJX-HNNXBMFYSA-N 2 0 336.443 2.575 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000160242930 533856345 /nfs/dbraw/zinc/85/63/45/533856345.db2.gz SLJCCMYQZSVKQL-KRWDZBQOSA-N 2 0 341.503 2.549 20 70 EFIDRP Cc1ccc(C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000160299821 534129807 /nfs/dbraw/zinc/12/98/07/534129807.db2.gz CWAJGIFRZFSWRY-OAQYLSRUSA-N 2 0 329.532 2.932 20 70 EFIDRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC000161503044 524407639 /nfs/dbraw/zinc/40/76/39/524407639.db2.gz HEQGCPUGSYXXNZ-UHFFFAOYSA-N 2 0 343.471 2.854 20 70 EFIDRP CC1(C)CC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC(C)(C)[NH2+]1 ZINC000159618323 528888540 /nfs/dbraw/zinc/88/85/40/528888540.db2.gz PHDABTQRVLWFJB-UHFFFAOYSA-N 2 0 333.476 2.783 20 70 EFIDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CC(N)=O)CC1 ZINC000159800680 529999484 /nfs/dbraw/zinc/99/94/84/529999484.db2.gz CXOKMZYZGROAAS-UHFFFAOYSA-N 2 0 331.504 2.732 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000159523661 285210599 /nfs/dbraw/zinc/21/05/99/285210599.db2.gz IWPMPJOGUXTMOC-QGZVFWFLSA-N 2 0 348.491 2.544 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000160243066 533393836 /nfs/dbraw/zinc/39/38/36/533393836.db2.gz SLJCCMYQZSVKQL-QGZVFWFLSA-N 2 0 341.503 2.549 20 70 EFIDRP Cc1ccc(C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)cc1 ZINC000160299684 225383302 /nfs/dbraw/zinc/38/33/02/225383302.db2.gz CWAJGIFRZFSWRY-NRFANRHFSA-N 2 0 329.532 2.932 20 70 EFIDRP COCC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C ZINC000161150469 473211835 /nfs/dbraw/zinc/21/18/35/473211835.db2.gz YDIOUKGWSZIXNE-FQEVSTJZSA-N 2 0 334.504 2.794 20 70 EFIDRP CC[C@@H](CNC(=O)C(CC)(CC)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000161269006 473221474 /nfs/dbraw/zinc/22/14/74/473221474.db2.gz CMRCNCHZNRXQBU-SFHVURJKSA-N 2 0 331.504 2.705 20 70 EFIDRP CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000161421185 473234381 /nfs/dbraw/zinc/23/43/81/473234381.db2.gz VZGRZSQNHBLHFV-QZTJIDSGSA-N 2 0 344.503 2.679 20 70 EFIDRP CC[NH+](CC)C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159901914 473071861 /nfs/dbraw/zinc/07/18/61/473071861.db2.gz VMFYKSRNKDADQY-GOSISDBHSA-N 2 0 337.552 2.935 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990318 473078870 /nfs/dbraw/zinc/07/88/70/473078870.db2.gz TXYFQSJIZVCKSH-IIAWOOMASA-N 2 0 335.458 2.969 20 70 EFIDRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)[C@H]1CCOC1 ZINC000160358303 473113236 /nfs/dbraw/zinc/11/32/36/473113236.db2.gz UHERDZGALWAINW-SFTDATJTSA-N 2 0 345.531 2.729 20 70 EFIDRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160407017 473118589 /nfs/dbraw/zinc/11/85/89/473118589.db2.gz FUFONWKELAVHBG-QFBILLFUSA-N 2 0 325.456 2.756 20 70 EFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000160738086 473168726 /nfs/dbraw/zinc/16/87/26/473168726.db2.gz DYQAXPFUTWKMBO-DOTOQJQBSA-N 2 0 337.483 2.779 20 70 EFIDRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160835153 473180643 /nfs/dbraw/zinc/18/06/43/473180643.db2.gz CDVRGUTZBMOHED-MJGOQNOKSA-N 2 0 348.535 2.663 20 70 EFIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161069083 473203942 /nfs/dbraw/zinc/20/39/42/473203942.db2.gz UKTRLOGLFKNIQS-XYPHTWIQSA-N 2 0 339.505 2.582 20 70 EFIDRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000216915107 519677426 /nfs/dbraw/zinc/67/74/26/519677426.db2.gz WBPWRSYUACWOOE-ZWKOTPCHSA-N 2 0 338.540 2.671 20 70 EFIDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000216907569 524215815 /nfs/dbraw/zinc/21/58/15/524215815.db2.gz PHPNHBFJQYAIGR-MRXNPFEDSA-N 2 0 338.540 2.671 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160284277 528155241 /nfs/dbraw/zinc/15/52/41/528155241.db2.gz RCQUQBMUQPMERT-IEBWSBKVSA-N 2 0 333.520 2.980 20 70 EFIDRP CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCCC1 ZINC000159584085 528853154 /nfs/dbraw/zinc/85/31/54/528853154.db2.gz ZBKGUAWESQHJPM-SFHVURJKSA-N 2 0 338.540 2.624 20 70 EFIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159611362 528897915 /nfs/dbraw/zinc/89/79/15/528897915.db2.gz JHOYNHNTJWJHHQ-HKUYNNGSSA-N 2 0 346.519 2.631 20 70 EFIDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000159638343 533330653 /nfs/dbraw/zinc/33/06/53/533330653.db2.gz OTOSCJMYJXLGKW-CYBMUJFWSA-N 2 0 328.464 2.622 20 70 EFIDRP C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000160040768 544801805 /nfs/dbraw/zinc/80/18/05/544801805.db2.gz VHZYFSSJIJNSSB-CQSZACIVSA-N 2 0 335.458 2.971 20 70 EFIDRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cnnn2)c1 ZINC000160457520 544805236 /nfs/dbraw/zinc/80/52/36/544805236.db2.gz FCEYISRUFFWANN-OAHLLOKOSA-N 2 0 340.475 2.720 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC1 ZINC000159523522 279285281 /nfs/dbraw/zinc/28/52/81/279285281.db2.gz IWPMPJOGUXTMOC-KRWDZBQOSA-N 2 0 348.491 2.544 20 70 EFIDRP CCc1nn(C)c(CC)c1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161187415 310707056 /nfs/dbraw/zinc/70/70/56/310707056.db2.gz UDKQNWOGTCYLKI-HOTGVXAUSA-N 2 0 336.524 2.524 20 70 EFIDRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000161225302 473218433 /nfs/dbraw/zinc/21/84/33/473218433.db2.gz BGUBWHNXXZYPBF-CQSZACIVSA-N 2 0 331.485 2.890 20 70 EFIDRP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161256176 473220971 /nfs/dbraw/zinc/22/09/71/473220971.db2.gz BBSBVVWXBYMYTB-HOTGVXAUSA-N 2 0 331.504 2.892 20 70 EFIDRP CC[C@H](CNC(=O)C(CC)(CC)C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000161269139 473222164 /nfs/dbraw/zinc/22/21/64/473222164.db2.gz CMRCNCHZNRXQBU-GOSISDBHSA-N 2 0 331.504 2.705 20 70 EFIDRP CC(C)(C)OC(=O)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161319049 473225643 /nfs/dbraw/zinc/22/56/43/473225643.db2.gz JVYRTAMZDIYJCF-UHFFFAOYSA-N 2 0 325.497 2.805 20 70 EFIDRP CN1CCC([NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC000161414778 473233345 /nfs/dbraw/zinc/23/33/45/473233345.db2.gz GTHFKGHHSGZJNR-UHFFFAOYSA-N 2 0 335.879 2.628 20 70 EFIDRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161425836 473234544 /nfs/dbraw/zinc/23/45/44/473234544.db2.gz UGJJMLPWMDCWJO-LJQANCHMSA-N 2 0 344.499 2.826 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000160252810 473100772 /nfs/dbraw/zinc/10/07/72/473100772.db2.gz KFSVOLQSNHJERK-AWEZNQCLSA-N 2 0 332.517 2.973 20 70 EFIDRP C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000160569532 473143901 /nfs/dbraw/zinc/14/39/01/473143901.db2.gz DMHYQXKVFIGCTI-UHFFFAOYSA-N 2 0 341.455 2.941 20 70 EFIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000160728722 473166876 /nfs/dbraw/zinc/16/68/76/473166876.db2.gz STJLOTVGVMLSBZ-FXAWDEMLSA-N 3 0 342.487 2.760 20 70 EFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2ccnc2)cc1 ZINC000160728854 473167106 /nfs/dbraw/zinc/16/71/06/473167106.db2.gz STJLOTVGVMLSBZ-YLJYHZDGSA-N 3 0 342.487 2.760 20 70 EFIDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000160898560 473188075 /nfs/dbraw/zinc/18/80/75/473188075.db2.gz UIIRFZKZNXSXDE-UHFFFAOYSA-N 2 0 338.499 2.897 20 70 EFIDRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000160918992 473192012 /nfs/dbraw/zinc/19/20/12/473192012.db2.gz XZFFMHRAKAIZMX-SFHVURJKSA-N 2 0 338.540 2.669 20 70 EFIDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000160282676 533850762 /nfs/dbraw/zinc/85/07/62/533850762.db2.gz ISNSIDSLJVNPAA-CVEARBPZSA-N 2 0 328.464 2.577 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000159858273 529022725 /nfs/dbraw/zinc/02/27/25/529022725.db2.gz RGZDBRHMEXNACI-QGZVFWFLSA-N 2 0 346.519 2.853 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000159940868 529023398 /nfs/dbraw/zinc/02/33/98/529023398.db2.gz SKNXDUVQHMVLIS-UHFFFAOYSA-N 2 0 336.524 2.521 20 70 EFIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000160205581 529165162 /nfs/dbraw/zinc/16/51/62/529165162.db2.gz TWOXXAPOBFPKIL-GOSISDBHSA-N 2 0 349.519 2.771 20 70 EFIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000161069331 296163740 /nfs/dbraw/zinc/16/37/40/296163740.db2.gz UKTRLOGLFKNIQS-COXVUDFISA-N 2 0 339.505 2.582 20 70 EFIDRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159609875 206254558 /nfs/dbraw/zinc/25/45/58/206254558.db2.gz MDSKBRHOUPLZKD-UHFFFAOYSA-N 2 0 346.519 2.766 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000160205993 206284809 /nfs/dbraw/zinc/28/48/09/206284809.db2.gz QGJLBTWBBCLVIQ-CQSZACIVSA-N 2 0 341.446 2.965 20 70 EFIDRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160262249 206286064 /nfs/dbraw/zinc/28/60/64/206286064.db2.gz HULYPYHBTQNCMW-FQEVSTJZSA-N 2 0 331.504 2.688 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000160257846 206286210 /nfs/dbraw/zinc/28/62/10/206286210.db2.gz NQOAWKIXWFLACX-LJQANCHMSA-N 2 0 333.545 2.633 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000161110413 206329234 /nfs/dbraw/zinc/32/92/34/206329234.db2.gz NDHKCDRASFCGSH-HXUWFJFHSA-N 2 0 343.515 2.889 20 70 EFIDRP CCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000161197585 206335081 /nfs/dbraw/zinc/33/50/81/206335081.db2.gz ZEBMJRGOXYYJKX-MRXNPFEDSA-N 2 0 342.487 2.711 20 70 EFIDRP c1cc2ncnc(N3CCN(CCC[NH+]4CCCCC4)CC3)c2s1 ZINC000161377127 206344234 /nfs/dbraw/zinc/34/42/34/206344234.db2.gz WRINBUVYFMTTDK-UHFFFAOYSA-N 2 0 345.516 2.689 20 70 EFIDRP C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC[NH+](C)CC1 ZINC000160040675 544801208 /nfs/dbraw/zinc/80/12/08/544801208.db2.gz VHZYFSSJIJNSSB-AWEZNQCLSA-N 2 0 335.458 2.971 20 70 EFIDRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160237635 295238995 /nfs/dbraw/zinc/23/89/95/295238995.db2.gz JFHGWIYADWOKBR-IAGOWNOFSA-N 2 0 333.520 2.803 20 70 EFIDRP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCCO2 ZINC000160164003 295271154 /nfs/dbraw/zinc/27/11/54/295271154.db2.gz LERROANOOMNPSL-IBGZPJMESA-N 2 0 347.503 2.525 20 70 EFIDRP C[NH+](C)CCN(C(=O)NCc1cccc(C[NH+](C)C)c1)C1CCCC1 ZINC000160638407 310701285 /nfs/dbraw/zinc/70/12/85/310701285.db2.gz OGTPCPIJBWXFIY-UHFFFAOYSA-N 2 0 346.519 2.764 20 70 EFIDRP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000159976755 473077853 /nfs/dbraw/zinc/07/78/53/473077853.db2.gz IJXFWYHNEMOEOM-ZBFHGGJFSA-N 2 0 335.458 2.971 20 70 EFIDRP C[NH+](C)Cc1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)cc1 ZINC000159988591 473078098 /nfs/dbraw/zinc/07/80/98/473078098.db2.gz ZMGRHXDCZDESPX-UHFFFAOYSA-N 2 0 325.456 2.740 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990203 473079109 /nfs/dbraw/zinc/07/91/09/473079109.db2.gz TXYFQSJIZVCKSH-YCPHGPKFSA-N 2 0 335.458 2.969 20 70 EFIDRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160808455 473177126 /nfs/dbraw/zinc/17/71/26/473177126.db2.gz KFYLTUQGTXTOFD-HKUYNNGSSA-N 2 0 348.535 2.663 20 70 EFIDRP COCc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OC ZINC000160246409 225370150 /nfs/dbraw/zinc/37/01/50/225370150.db2.gz WHHHMOYJSMRJIN-MRXNPFEDSA-N 2 0 349.519 2.518 20 70 EFIDRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccs1 ZINC000161225185 473219285 /nfs/dbraw/zinc/21/92/85/473219285.db2.gz BGUBWHNXXZYPBF-AWEZNQCLSA-N 2 0 331.485 2.890 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000160207940 473097198 /nfs/dbraw/zinc/09/71/98/473097198.db2.gz SPPUVSOGSWJZTL-CQSZACIVSA-N 2 0 341.446 2.965 20 70 EFIDRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160867265 473184548 /nfs/dbraw/zinc/18/45/48/473184548.db2.gz QEYRPVTWFLWFAC-SFHVURJKSA-N 2 0 348.535 2.521 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159505904 529024306 /nfs/dbraw/zinc/02/43/06/529024306.db2.gz VLFUAAOVHOKBHM-IBGZPJMESA-N 2 0 344.503 2.561 20 70 EFIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000160192322 529601620 /nfs/dbraw/zinc/60/16/20/529601620.db2.gz ZFMLTFAKURRWFY-IBGZPJMESA-N 2 0 331.504 2.688 20 70 EFIDRP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000159713183 239032939 /nfs/dbraw/zinc/03/29/39/239032939.db2.gz LYXBHUJPFCNYJP-GOSISDBHSA-N 2 0 329.488 2.676 20 70 EFIDRP COc1cc(C)c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160171366 533607515 /nfs/dbraw/zinc/60/75/15/533607515.db2.gz DHBPWJZRNNKZDS-MRXNPFEDSA-N 2 0 349.519 2.689 20 70 EFIDRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159638185 225253593 /nfs/dbraw/zinc/25/35/93/225253593.db2.gz SXAYTDPZDNGEKW-UHFFFAOYSA-N 2 0 329.444 2.886 20 70 EFIDRP COc1ccc(OCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000161361393 544813982 /nfs/dbraw/zinc/81/39/82/544813982.db2.gz WHSSNUFRABENBC-UHFFFAOYSA-N 2 0 327.428 2.681 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000160257953 273792149 /nfs/dbraw/zinc/79/21/49/273792149.db2.gz NQOAWKIXWFLACX-IBGZPJMESA-N 2 0 333.545 2.633 20 70 EFIDRP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160180083 278880213 /nfs/dbraw/zinc/88/02/13/278880213.db2.gz LHPZWHAJNVCNLI-IBGZPJMESA-N 2 0 331.504 2.824 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@@H](NC[C@H]2CCCC[NH+]2CC)[C@@H](C)C1 ZINC000161173819 473214252 /nfs/dbraw/zinc/21/42/52/473214252.db2.gz DDIHRWALZRDKFW-IPMKNSEASA-N 2 0 325.541 2.587 20 70 EFIDRP CCn1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000161197710 473217202 /nfs/dbraw/zinc/21/72/02/473217202.db2.gz ZEBMJRGOXYYJKX-INIZCTEOSA-N 2 0 342.487 2.711 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000160293288 473105326 /nfs/dbraw/zinc/10/53/26/473105326.db2.gz OGMHUBADOOYGFD-HKUYNNGSSA-N 2 0 333.520 2.837 20 70 EFIDRP COc1cccc(CCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000160410157 473120121 /nfs/dbraw/zinc/12/01/21/473120121.db2.gz HHXUJNDVPWQWDL-UHFFFAOYSA-N 2 0 332.488 2.672 20 70 EFIDRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160835005 473180994 /nfs/dbraw/zinc/18/09/94/473180994.db2.gz CDVRGUTZBMOHED-HKUYNNGSSA-N 2 0 348.535 2.663 20 70 EFIDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1ccc(-n2cnnn2)cc1 ZINC000160897995 473188213 /nfs/dbraw/zinc/18/82/13/473188213.db2.gz YTJXGYOEQCINJX-OAHLLOKOSA-N 2 0 336.443 2.575 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049126 473201562 /nfs/dbraw/zinc/20/15/62/473201562.db2.gz YMRNLEPGDRYOTP-YRXWBPOGSA-N 2 0 325.541 2.586 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000160276569 528152738 /nfs/dbraw/zinc/15/27/38/528152738.db2.gz MNBNGXXRPUOLDI-INIZCTEOSA-N 2 0 330.476 2.992 20 70 EFIDRP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000159537510 528271670 /nfs/dbraw/zinc/27/16/70/528271670.db2.gz BDIPTMYHQSHHPN-LJQANCHMSA-N 2 0 346.519 2.807 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000159938373 529025194 /nfs/dbraw/zinc/02/51/94/529025194.db2.gz ODSNYJAXUFDDOI-GOSISDBHSA-N 2 0 346.519 2.634 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)[C@H](C)C1 ZINC000161049256 286059845 /nfs/dbraw/zinc/05/98/45/286059845.db2.gz YMRNLEPGDRYOTP-AKHDSKFASA-N 2 0 325.541 2.586 20 70 EFIDRP C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161320764 544813497 /nfs/dbraw/zinc/81/34/97/544813497.db2.gz RVLQUXJWEHIXRY-KRWDZBQOSA-N 2 0 342.487 2.599 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000160179113 289070122 /nfs/dbraw/zinc/07/01/22/289070122.db2.gz PPCRYEKHFJBXDU-SFHVURJKSA-N 2 0 335.467 2.655 20 70 EFIDRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000160288878 310697353 /nfs/dbraw/zinc/69/73/53/310697353.db2.gz PKMTWPUSQXSEJY-VQIMIIECSA-N 2 0 331.504 2.964 20 70 EFIDRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161124718 473208971 /nfs/dbraw/zinc/20/89/71/473208971.db2.gz IQVADGMGPYJXQV-JYBIWHBTSA-N 2 0 330.520 2.754 20 70 EFIDRP Brc1ccccc1[C@H]1CN(CCn2ccnc2)CCO1 ZINC000159789231 473060980 /nfs/dbraw/zinc/06/09/80/473060980.db2.gz JVNCLERYHCRXEQ-OAHLLOKOSA-N 2 0 336.233 2.719 20 70 EFIDRP CCc1nc2c(s1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000160219695 473098479 /nfs/dbraw/zinc/09/84/79/473098479.db2.gz XAMYLPLOTCONER-OAHLLOKOSA-N 2 0 336.549 2.699 20 70 EFIDRP CCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000160668672 473159550 /nfs/dbraw/zinc/15/95/50/473159550.db2.gz MHVWHQZISULEKI-DZGCQCFKSA-N 2 0 325.522 2.901 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000159609707 529026882 /nfs/dbraw/zinc/02/68/82/529026882.db2.gz PPMVBCFBJLLUIE-UHFFFAOYSA-N 2 0 344.503 2.520 20 70 EFIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)CCO2 ZINC000160192453 529165304 /nfs/dbraw/zinc/16/53/04/529165304.db2.gz ZFMLTFAKURRWFY-LJQANCHMSA-N 2 0 331.504 2.688 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000159629422 206255654 /nfs/dbraw/zinc/25/56/54/206255654.db2.gz PSUCDPCJIVQMLP-IBGZPJMESA-N 2 0 344.503 2.561 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000160152604 206281466 /nfs/dbraw/zinc/28/14/66/206281466.db2.gz DFJRAZGQONJRQT-KRWDZBQOSA-N 2 0 337.508 2.978 20 70 EFIDRP COCc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1OC ZINC000160246283 206287045 /nfs/dbraw/zinc/28/70/45/206287045.db2.gz WHHHMOYJSMRJIN-INIZCTEOSA-N 2 0 349.519 2.518 20 70 EFIDRP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccc(-n2cnnn2)cc1 ZINC000160282816 206288237 /nfs/dbraw/zinc/28/82/37/206288237.db2.gz ISNSIDSLJVNPAA-HOTGVXAUSA-N 2 0 328.464 2.577 20 70 EFIDRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160237755 206286048 /nfs/dbraw/zinc/28/60/48/206286048.db2.gz JFHGWIYADWOKBR-DLBZAZTESA-N 2 0 333.520 2.803 20 70 EFIDRP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160672520 206308610 /nfs/dbraw/zinc/30/86/10/206308610.db2.gz MALVMWVDGTUZEQ-JKSUJKDBSA-N 2 0 336.476 2.591 20 70 EFIDRP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160672615 206309186 /nfs/dbraw/zinc/30/91/86/206309186.db2.gz MALVMWVDGTUZEQ-HZPDHXFCSA-N 2 0 336.476 2.591 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000161050516 206324813 /nfs/dbraw/zinc/32/48/13/206324813.db2.gz AKOVJUXMLRMZCP-IBGZPJMESA-N 2 0 331.504 2.918 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000161123097 206329329 /nfs/dbraw/zinc/32/93/29/206329329.db2.gz ATBDXUDVTGZZRP-HXUWFJFHSA-N 2 0 343.515 2.747 20 70 EFIDRP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC000161213286 473218041 /nfs/dbraw/zinc/21/80/41/473218041.db2.gz XMXPVHQKUUOVFR-QUCCMNQESA-N 2 0 332.488 2.548 20 70 EFIDRP CCC(CC)(C[NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161293522 473224480 /nfs/dbraw/zinc/22/44/80/473224480.db2.gz VUAQEGPBOWIUJK-GOSISDBHSA-N 2 0 331.504 2.732 20 70 EFIDRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@@H]1CCn2ccnc2C1 ZINC000161331079 473226861 /nfs/dbraw/zinc/22/68/61/473226861.db2.gz RHXRTFGWCQNEMZ-QGZVFWFLSA-N 2 0 338.455 2.723 20 70 EFIDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159567290 473039600 /nfs/dbraw/zinc/03/96/00/473039600.db2.gz VQDIDEWEQKXNMI-FHWLQOOXSA-N 2 0 330.472 2.674 20 70 EFIDRP Cc1c(C[NH2+]C[C@@H](C(C)C)N2CCc3ccccc3C2)cnn1C ZINC000159758689 473057952 /nfs/dbraw/zinc/05/79/52/473057952.db2.gz ZPEVKJKLXLCGEL-FQEVSTJZSA-N 2 0 326.488 2.901 20 70 EFIDRP C[NH+](C)CCCC1CCN(C(=O)NCc2cn3ccccc3n2)CC1 ZINC000159888910 473068809 /nfs/dbraw/zinc/06/88/09/473068809.db2.gz KSEUMKQPNQNALZ-UHFFFAOYSA-N 2 0 343.475 2.598 20 70 EFIDRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000160267740 473101757 /nfs/dbraw/zinc/10/17/57/473101757.db2.gz XJPDQGIFPXCRIA-UONOGXRCSA-N 2 0 343.313 2.888 20 70 EFIDRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160808604 473177621 /nfs/dbraw/zinc/17/76/21/473177621.db2.gz KFYLTUQGTXTOFD-MJGOQNOKSA-N 2 0 348.535 2.663 20 70 EFIDRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160858809 473183524 /nfs/dbraw/zinc/18/35/24/473183524.db2.gz NUKOLLMFWMHIQG-HKUYNNGSSA-N 2 0 348.535 2.663 20 70 EFIDRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160858950 473183880 /nfs/dbraw/zinc/18/38/80/473183880.db2.gz NUKOLLMFWMHIQG-PKOBYXMFSA-N 2 0 348.535 2.663 20 70 EFIDRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160858690 473184038 /nfs/dbraw/zinc/18/40/38/473184038.db2.gz NUKOLLMFWMHIQG-IEBWSBKVSA-N 2 0 348.535 2.663 20 70 EFIDRP Cc1nc2ccccn2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000160918526 473190898 /nfs/dbraw/zinc/19/08/98/473190898.db2.gz NIYOMOUXMZXKDU-UHFFFAOYSA-N 2 0 342.487 2.720 20 70 EFIDRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161011808 473199314 /nfs/dbraw/zinc/19/93/14/473199314.db2.gz RZXSJHIDUUJTHW-IXDOHACOSA-N 2 0 331.504 2.844 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062597 473203481 /nfs/dbraw/zinc/20/34/81/473203481.db2.gz KRHRUPGOGNGDMS-FUHIMQAGSA-N 2 0 339.483 2.715 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000159629561 285214905 /nfs/dbraw/zinc/21/49/05/285214905.db2.gz PSUCDPCJIVQMLP-LJQANCHMSA-N 2 0 344.503 2.561 20 70 EFIDRP COc1cc(C)c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC000160171500 533612556 /nfs/dbraw/zinc/61/25/56/533612556.db2.gz DHBPWJZRNNKZDS-INIZCTEOSA-N 2 0 349.519 2.689 20 70 EFIDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159567535 225242510 /nfs/dbraw/zinc/24/25/10/225242510.db2.gz VQDIDEWEQKXNMI-QYZOEREBSA-N 2 0 330.472 2.674 20 70 EFIDRP C[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000160786865 544809157 /nfs/dbraw/zinc/80/91/57/544809157.db2.gz BOWJOONDFXCFSL-LPHOPBHVSA-N 2 0 329.488 2.670 20 70 EFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](COC)C(C)C)CC1 ZINC000160357918 279364247 /nfs/dbraw/zinc/36/42/47/279364247.db2.gz LVYRUTBKXRBQFC-HXUWFJFHSA-N 2 0 333.520 2.585 20 70 EFIDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)[C@@H]1CCOC1 ZINC000160358191 280190816 /nfs/dbraw/zinc/19/08/16/280190816.db2.gz UHERDZGALWAINW-NHCUHLMSSA-N 2 0 345.531 2.729 20 70 EFIDRP CCc1nn(C)c(CC)c1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161187281 310706865 /nfs/dbraw/zinc/70/68/65/310706865.db2.gz UDKQNWOGTCYLKI-HZPDHXFCSA-N 2 0 336.524 2.524 20 70 EFIDRP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000161198755 473217440 /nfs/dbraw/zinc/21/74/40/473217440.db2.gz PMOUKMDJCHCVPF-LJQANCHMSA-N 2 0 334.504 2.938 20 70 EFIDRP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161256294 473220487 /nfs/dbraw/zinc/22/04/87/473220487.db2.gz BBSBVVWXBYMYTB-HZPDHXFCSA-N 2 0 331.504 2.892 20 70 EFIDRP Cc1c([C@H](C)NC2CC[NH+](C)CC2)nnn1-c1cccc(Cl)c1 ZINC000161415063 473233424 /nfs/dbraw/zinc/23/34/24/473233424.db2.gz PLRGFXGVKDKESL-LBPRGKRZSA-N 2 0 333.867 2.974 20 70 EFIDRP CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000161421046 473234894 /nfs/dbraw/zinc/23/48/94/473234894.db2.gz VZGRZSQNHBLHFV-ROUUACIJSA-N 2 0 344.503 2.679 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990447 473078653 /nfs/dbraw/zinc/07/86/53/473078653.db2.gz TXYFQSJIZVCKSH-IJEWVQPXSA-N 2 0 335.458 2.969 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000160211169 473097132 /nfs/dbraw/zinc/09/71/32/473097132.db2.gz YBFPRVWKQZOXMG-LBPRGKRZSA-N 2 0 329.410 2.781 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnc2ccsc2c1 ZINC000160252947 473100399 /nfs/dbraw/zinc/10/03/99/473100399.db2.gz KFSVOLQSNHJERK-CQSZACIVSA-N 2 0 332.517 2.973 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160276428 473104149 /nfs/dbraw/zinc/10/41/49/473104149.db2.gz PAVBXVINEDASGB-PXNSSMCTSA-N 2 0 333.520 2.837 20 70 EFIDRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCCC1 ZINC000160288487 473105666 /nfs/dbraw/zinc/10/56/66/473105666.db2.gz PKMTWPUSQXSEJY-LPHOPBHVSA-N 2 0 331.504 2.964 20 70 EFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)C3CCOCC3)cc2)CC1 ZINC000160332885 473110756 /nfs/dbraw/zinc/11/07/56/473110756.db2.gz ZXIJLTWWLIOKGL-SFHVURJKSA-N 2 0 345.531 2.729 20 70 EFIDRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160406885 473118069 /nfs/dbraw/zinc/11/80/69/473118069.db2.gz FUFONWKELAVHBG-LPHOPBHVSA-N 2 0 325.456 2.756 20 70 EFIDRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161004786 473198221 /nfs/dbraw/zinc/19/82/21/473198221.db2.gz YHHSDJSOFSRQQD-IHRRRGAJSA-N 2 0 338.883 2.915 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160270719 528151917 /nfs/dbraw/zinc/15/19/17/528151917.db2.gz YMMXNEMIKLYLKV-IEBWSBKVSA-N 3 0 333.520 2.980 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160284424 528155695 /nfs/dbraw/zinc/15/56/95/528155695.db2.gz RCQUQBMUQPMERT-MJGOQNOKSA-N 2 0 333.520 2.980 20 70 EFIDRP Cc1cccc(C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)c1 ZINC000160276985 225378412 /nfs/dbraw/zinc/37/84/12/225378412.db2.gz YDLVZGVYDHPSLB-NRFANRHFSA-N 2 0 329.532 2.932 20 70 EFIDRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159561409 279138577 /nfs/dbraw/zinc/13/85/77/279138577.db2.gz BQBGXLGXRAXFNZ-UHFFFAOYSA-N 2 0 346.519 2.766 20 70 EFIDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(C(C)(C)C)ns1 ZINC000159814272 310691970 /nfs/dbraw/zinc/69/19/70/310691970.db2.gz MOPKTASSMCQOQE-UHFFFAOYSA-N 2 0 327.542 2.545 20 70 EFIDRP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000161210826 473218106 /nfs/dbraw/zinc/21/81/06/473218106.db2.gz KAAAODATCIFMOU-UXPWSPDFSA-N 2 0 343.515 2.716 20 70 EFIDRP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CCN(C)CC1 ZINC000161413871 473233638 /nfs/dbraw/zinc/23/36/38/473233638.db2.gz QGNNILMENAGOKI-AWEZNQCLSA-N 2 0 337.895 2.761 20 70 EFIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000159976927 473077436 /nfs/dbraw/zinc/07/74/36/473077436.db2.gz IJXFWYHNEMOEOM-GDBMZVCRSA-N 2 0 335.458 2.971 20 70 EFIDRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160085031 473086201 /nfs/dbraw/zinc/08/62/01/473086201.db2.gz FKIISBNZWVGBNY-MSOLQXFVSA-N 2 0 335.536 2.830 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000160207831 473096921 /nfs/dbraw/zinc/09/69/21/473096921.db2.gz SPPUVSOGSWJZTL-AWEZNQCLSA-N 2 0 341.446 2.965 20 70 EFIDRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160321362 473108073 /nfs/dbraw/zinc/10/80/73/473108073.db2.gz NABIMSYHTLPHBP-QGZVFWFLSA-N 2 0 338.540 2.624 20 70 EFIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1N(C)C ZINC000160738225 473168663 /nfs/dbraw/zinc/16/86/63/473168663.db2.gz DYQAXPFUTWKMBO-NVXWUHKLSA-N 2 0 337.483 2.779 20 70 EFIDRP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c(OC)c1 ZINC000160740718 473170156 /nfs/dbraw/zinc/17/01/56/473170156.db2.gz NJPXRBFGTLSSHA-HZPDHXFCSA-N 2 0 336.476 2.591 20 70 EFIDRP Cc1cccc(C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)c1 ZINC000160277127 534723527 /nfs/dbraw/zinc/72/35/27/534723527.db2.gz YDLVZGVYDHPSLB-OAQYLSRUSA-N 2 0 329.532 2.932 20 70 EFIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159611634 528895842 /nfs/dbraw/zinc/89/58/42/528895842.db2.gz JHOYNHNTJWJHHQ-PKOBYXMFSA-N 2 0 346.519 2.631 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC1 ZINC000159600176 529030043 /nfs/dbraw/zinc/03/00/43/529030043.db2.gz LFGMCVRBJADFDO-UHFFFAOYSA-N 2 0 346.519 2.764 20 70 EFIDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159845833 529297157 /nfs/dbraw/zinc/29/71/57/529297157.db2.gz CBBOCBGWOFGFRL-QGZVFWFLSA-N 2 0 338.540 2.624 20 70 EFIDRP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160262118 225373718 /nfs/dbraw/zinc/37/37/18/225373718.db2.gz HULYPYHBTQNCMW-HXUWFJFHSA-N 2 0 331.504 2.688 20 70 EFIDRP CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161261751 282070983 /nfs/dbraw/zinc/07/09/83/282070983.db2.gz RNXVRXRKOYTRJI-SFHVURJKSA-N 2 0 347.503 2.713 20 70 EFIDRP CCC(CC)(C[NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000161261855 282071452 /nfs/dbraw/zinc/07/14/52/282071452.db2.gz RNXVRXRKOYTRJI-GOSISDBHSA-N 2 0 347.503 2.713 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000160178972 289069342 /nfs/dbraw/zinc/06/93/42/289069342.db2.gz PPCRYEKHFJBXDU-GOSISDBHSA-N 2 0 335.467 2.655 20 70 EFIDRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160321224 310697686 /nfs/dbraw/zinc/69/76/86/310697686.db2.gz NABIMSYHTLPHBP-KRWDZBQOSA-N 2 0 338.540 2.624 20 70 EFIDRP CN(CCC[NH+]1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000161398534 473232594 /nfs/dbraw/zinc/23/25/94/473232594.db2.gz HXNITWQFPXIWJD-UHFFFAOYSA-N 2 0 344.547 2.896 20 70 EFIDRP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(c3nc(C(C)(C)C)ns3)CC1)C2 ZINC000160118787 473088309 /nfs/dbraw/zinc/08/83/09/473088309.db2.gz NCQSFSKKEOALIV-YIONKMFJSA-N 2 0 349.548 2.583 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264237 473102428 /nfs/dbraw/zinc/10/24/28/473102428.db2.gz SJKBVBSNDNXJHC-AABGKKOBSA-N 2 0 339.568 2.978 20 70 EFIDRP CCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000160668527 473158606 /nfs/dbraw/zinc/15/86/06/473158606.db2.gz MHVWHQZISULEKI-UKRRQHHQSA-N 2 0 325.522 2.901 20 70 EFIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160691945 473161570 /nfs/dbraw/zinc/16/15/70/473161570.db2.gz VGGXZPPBEDCECI-MSOLQXFVSA-N 2 0 348.487 2.735 20 70 EFIDRP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160782389 473175173 /nfs/dbraw/zinc/17/51/73/473175173.db2.gz XCYLEARHQFXHEG-QGZVFWFLSA-N 2 0 336.524 2.615 20 70 EFIDRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160915421 473190362 /nfs/dbraw/zinc/19/03/62/473190362.db2.gz DOBUYJQLIWYMLM-INIZCTEOSA-N 2 0 336.524 2.519 20 70 EFIDRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161004534 473198044 /nfs/dbraw/zinc/19/80/44/473198044.db2.gz YHHSDJSOFSRQQD-MJBXVCDLSA-N 2 0 338.883 2.915 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000160205865 533856883 /nfs/dbraw/zinc/85/68/83/533856883.db2.gz QGJLBTWBBCLVIQ-AWEZNQCLSA-N 2 0 341.446 2.965 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000160293855 528155644 /nfs/dbraw/zinc/15/56/44/528155644.db2.gz MYYHQENEJKZIOQ-MRXNPFEDSA-N 2 0 330.476 2.992 20 70 EFIDRP CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)[NH+]1CCCC1 ZINC000159583958 282236203 /nfs/dbraw/zinc/23/62/03/282236203.db2.gz ZBKGUAWESQHJPM-GOSISDBHSA-N 2 0 338.540 2.624 20 70 EFIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000159506068 206250459 /nfs/dbraw/zinc/25/04/59/206250459.db2.gz VLFUAAOVHOKBHM-LJQANCHMSA-N 2 0 344.503 2.561 20 70 EFIDRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159560362 206251609 /nfs/dbraw/zinc/25/16/09/206251609.db2.gz AJCXFNOFVNCJHP-UHFFFAOYSA-N 2 0 346.519 2.766 20 70 EFIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000160152461 206281660 /nfs/dbraw/zinc/28/16/60/206281660.db2.gz DFJRAZGQONJRQT-QGZVFWFLSA-N 2 0 337.508 2.978 20 70 EFIDRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161004911 206322679 /nfs/dbraw/zinc/32/26/79/206322679.db2.gz YHHSDJSOFSRQQD-RDBSUJKOSA-N 2 0 338.883 2.915 20 70 EFIDRP CC(=O)NC1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000161425658 206348410 /nfs/dbraw/zinc/34/84/10/206348410.db2.gz CAXFTDYTUDVISZ-QNGMFEMESA-N 2 0 343.515 2.588 20 70 EFIDRP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]C3CCC4(CC3)OCCO4)C2)cc1 ZINC000161425973 206348526 /nfs/dbraw/zinc/34/85/26/206348526.db2.gz UGJJMLPWMDCWJO-IBGZPJMESA-N 2 0 344.499 2.826 20 70 EFIDRP C[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000160787228 544808427 /nfs/dbraw/zinc/80/84/27/544808427.db2.gz BOWJOONDFXCFSL-VQIMIIECSA-N 2 0 329.488 2.670 20 70 EFIDRP C[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000160787108 544808853 /nfs/dbraw/zinc/80/88/53/544808853.db2.gz BOWJOONDFXCFSL-QFBILLFUSA-N 2 0 329.488 2.670 20 70 EFIDRP Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C3CC[NH+](C)CC3)CC2)cc1 ZINC000161052490 544809580 /nfs/dbraw/zinc/80/95/80/544809580.db2.gz HRDMUYXVNWIIKU-QGZVFWFLSA-N 2 0 343.515 2.920 20 70 EFIDRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000160502819 278335219 /nfs/dbraw/zinc/33/52/19/278335219.db2.gz MZBIRBIPVGEDPQ-OAHLLOKOSA-N 2 0 340.475 2.720 20 70 EFIDRP C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161256056 473220657 /nfs/dbraw/zinc/22/06/57/473220657.db2.gz BBSBVVWXBYMYTB-MCPYQZEQSA-N 2 0 331.504 2.892 20 70 EFIDRP CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000161421346 473234500 /nfs/dbraw/zinc/23/45/00/473234500.db2.gz VZGRZSQNHBLHFV-ZWKOTPCHSA-N 2 0 344.503 2.679 20 70 EFIDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159567419 473040382 /nfs/dbraw/zinc/04/03/82/473040382.db2.gz VQDIDEWEQKXNMI-QRVBRYPASA-N 2 0 330.472 2.674 20 70 EFIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159611227 473044068 /nfs/dbraw/zinc/04/40/68/473044068.db2.gz JHOYNHNTJWJHHQ-MJGOQNOKSA-N 2 0 346.519 2.631 20 70 EFIDRP O[C@H](CNCc1cc(Cl)ccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000159971495 473077712 /nfs/dbraw/zinc/07/77/12/473077712.db2.gz XSCKARVJAUPZBI-GOSISDBHSA-N 2 0 348.849 2.988 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@@H](NCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000160264374 473102226 /nfs/dbraw/zinc/10/22/26/473102226.db2.gz SJKBVBSNDNXJHC-HSALFYBXSA-N 2 0 339.568 2.978 20 70 EFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000160364824 473112847 /nfs/dbraw/zinc/11/28/47/473112847.db2.gz OQSWGUNZMQYKKQ-SFHVURJKSA-N 2 0 345.531 2.729 20 70 EFIDRP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000160661056 473157377 /nfs/dbraw/zinc/15/73/77/473157377.db2.gz ITFQNYMKUPQVSK-LJQANCHMSA-N 2 0 343.446 2.920 20 70 EFIDRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160867384 473186299 /nfs/dbraw/zinc/18/62/99/473186299.db2.gz QEYRPVTWFLWFAC-GOSISDBHSA-N 2 0 348.535 2.521 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062206 473203436 /nfs/dbraw/zinc/20/34/36/473203436.db2.gz KRHRUPGOGNGDMS-HLIPFELVSA-N 2 0 339.483 2.715 20 70 EFIDRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](CC)CC2)C1 ZINC000159845940 529216574 /nfs/dbraw/zinc/21/65/74/529216574.db2.gz CBBOCBGWOFGFRL-KRWDZBQOSA-N 2 0 338.540 2.624 20 70 EFIDRP CCc1ccc([C@@H](CNC(=O)N2CCC[N@@H+](CC)CC2)[NH+](C)C)cc1 ZINC000159535982 529708627 /nfs/dbraw/zinc/70/86/27/529708627.db2.gz FTOKLMWYTHVQPS-LJQANCHMSA-N 2 0 346.519 2.589 20 70 EFIDRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160238026 225366735 /nfs/dbraw/zinc/36/67/35/225366735.db2.gz JFHGWIYADWOKBR-IRXDYDNUSA-N 2 0 333.520 2.803 20 70 EFIDRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000160660939 310701199 /nfs/dbraw/zinc/70/11/99/310701199.db2.gz ITFQNYMKUPQVSK-IBGZPJMESA-N 2 0 343.446 2.920 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161123584 473209340 /nfs/dbraw/zinc/20/93/40/473209340.db2.gz OLIZXJUQPSCTFT-AEFFLSMTSA-N 2 0 348.487 2.684 20 70 EFIDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000161123732 473209608 /nfs/dbraw/zinc/20/96/08/473209608.db2.gz OLIZXJUQPSCTFT-SJLPKXTDSA-N 2 0 348.487 2.684 20 70 EFIDRP CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000161206844 473217374 /nfs/dbraw/zinc/21/73/74/473217374.db2.gz NVFNEROHNDPSBW-DFQSSKMNSA-N 2 0 330.520 2.756 20 70 EFIDRP CC(C)(C)OC(=O)NC[C@H]1CCCN1CCC[NH+]1CCCCC1 ZINC000161382845 473231054 /nfs/dbraw/zinc/23/10/54/473231054.db2.gz WDZYAXUDQMOOFN-MRXNPFEDSA-N 2 0 325.497 2.852 20 70 EFIDRP CC1(C)CC([NH2+]C2CCN(Cc3ccncc3)CC2)CC(C)(C)[NH2+]1 ZINC000159599262 473042994 /nfs/dbraw/zinc/04/29/94/473042994.db2.gz QLMLBTSBLWRWJG-UHFFFAOYSA-N 2 0 330.520 2.945 20 70 EFIDRP O[C@@H](CNCc1cc(Cl)ccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000159971633 473077518 /nfs/dbraw/zinc/07/75/18/473077518.db2.gz XSCKARVJAUPZBI-SFHVURJKSA-N 2 0 348.849 2.988 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159990068 473078150 /nfs/dbraw/zinc/07/81/50/473078150.db2.gz TXYFQSJIZVCKSH-FMKPAKJESA-N 2 0 335.458 2.969 20 70 EFIDRP CCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000160092366 473087121 /nfs/dbraw/zinc/08/71/21/473087121.db2.gz LASVLKIFONDSNM-IAGOWNOFSA-N 2 0 342.487 2.802 20 70 EFIDRP CCc1nc2c(s1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2 ZINC000160219832 473098431 /nfs/dbraw/zinc/09/84/31/473098431.db2.gz XAMYLPLOTCONER-HNNXBMFYSA-N 2 0 336.549 2.699 20 70 EFIDRP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)C(C)(C)C)CC3)CC[C@H]21 ZINC000160287455 473105964 /nfs/dbraw/zinc/10/59/64/473105964.db2.gz GWNNWWKWLFVKMD-QZTJIDSGSA-N 2 0 335.536 2.687 20 70 EFIDRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)C3CCOCC3)cc2)CC1 ZINC000160333024 473110353 /nfs/dbraw/zinc/11/03/53/473110353.db2.gz ZXIJLTWWLIOKGL-GOSISDBHSA-N 2 0 345.531 2.729 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062309 473203800 /nfs/dbraw/zinc/20/38/00/473203800.db2.gz KRHRUPGOGNGDMS-UWVAXJGDSA-N 2 0 339.483 2.715 20 70 EFIDRP CC(C)CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159504244 527721984 /nfs/dbraw/zinc/72/19/84/527721984.db2.gz VTJCYVZYISMFFX-UHFFFAOYSA-N 2 0 340.556 2.726 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000160276710 528151780 /nfs/dbraw/zinc/15/17/80/528151780.db2.gz MNBNGXXRPUOLDI-MRXNPFEDSA-N 2 0 330.476 2.992 20 70 EFIDRP CCc1ccc([C@H](CNC(=O)N2CCC[N@@H+](CC)CC2)[NH+](C)C)cc1 ZINC000159536058 529723490 /nfs/dbraw/zinc/72/34/90/529723490.db2.gz FTOKLMWYTHVQPS-IBGZPJMESA-N 2 0 346.519 2.589 20 70 EFIDRP COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160237890 225368052 /nfs/dbraw/zinc/36/80/52/225368052.db2.gz JFHGWIYADWOKBR-SJORKVTESA-N 2 0 333.520 2.803 20 70 EFIDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159621047 279270161 /nfs/dbraw/zinc/27/01/61/279270161.db2.gz AOPHFTAIUPZDNM-ZWKOTPCHSA-N 2 0 336.524 2.521 20 70 EFIDRP CC(C)[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000159826170 310691911 /nfs/dbraw/zinc/69/19/11/310691911.db2.gz SIOVXCVEIUOOOB-UHFFFAOYSA-N 2 0 338.540 2.623 20 70 EFIDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC000161213656 473217660 /nfs/dbraw/zinc/21/76/60/473217660.db2.gz XMXPVHQKUUOVFR-AZUAARDMSA-N 2 0 332.488 2.548 20 70 EFIDRP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC000161213413 473218281 /nfs/dbraw/zinc/21/82/81/473218281.db2.gz XMXPVHQKUUOVFR-UYAOXDASSA-N 2 0 332.488 2.548 20 70 EFIDRP CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000161420901 473234749 /nfs/dbraw/zinc/23/47/49/473234749.db2.gz VZGRZSQNHBLHFV-MSOLQXFVSA-N 2 0 344.503 2.679 20 70 EFIDRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000159389884 473024698 /nfs/dbraw/zinc/02/46/98/473024698.db2.gz QVBCLWTULHLVTJ-UHFFFAOYSA-N 2 0 338.540 2.765 20 70 EFIDRP Cc1c(C[NH2+]C[C@H](C(C)C)N2CCc3ccccc3C2)cnn1C ZINC000159758806 473058250 /nfs/dbraw/zinc/05/82/50/473058250.db2.gz ZPEVKJKLXLCGEL-HXUWFJFHSA-N 2 0 326.488 2.901 20 70 EFIDRP CCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000160092483 473086514 /nfs/dbraw/zinc/08/65/14/473086514.db2.gz LASVLKIFONDSNM-IRXDYDNUSA-N 2 0 342.487 2.802 20 70 EFIDRP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160180223 473093817 /nfs/dbraw/zinc/09/38/17/473093817.db2.gz LHPZWHAJNVCNLI-LJQANCHMSA-N 2 0 331.504 2.824 20 70 EFIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(F)c(F)c(F)c1 ZINC000160211314 473096357 /nfs/dbraw/zinc/09/63/57/473096357.db2.gz YBFPRVWKQZOXMG-GFCCVEGCSA-N 2 0 329.410 2.781 20 70 EFIDRP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000160293158 473105503 /nfs/dbraw/zinc/10/55/03/473105503.db2.gz OGMHUBADOOYGFD-PKOBYXMFSA-N 2 0 333.520 2.837 20 70 EFIDRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)C2CCOCC2)CC1 ZINC000160364960 473113333 /nfs/dbraw/zinc/11/33/33/473113333.db2.gz OQSWGUNZMQYKKQ-GOSISDBHSA-N 2 0 345.531 2.729 20 70 EFIDRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160407333 473118681 /nfs/dbraw/zinc/11/86/81/473118681.db2.gz FUFONWKELAVHBG-VQIMIIECSA-N 2 0 325.456 2.756 20 70 EFIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCCO2 ZINC000160692064 473162096 /nfs/dbraw/zinc/16/20/96/473162096.db2.gz VGGXZPPBEDCECI-QZTJIDSGSA-N 2 0 348.487 2.735 20 70 EFIDRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160915341 473190714 /nfs/dbraw/zinc/19/07/14/473190714.db2.gz DOBUYJQLIWYMLM-MRXNPFEDSA-N 2 0 336.524 2.519 20 70 EFIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161062435 473203570 /nfs/dbraw/zinc/20/35/70/473203570.db2.gz KRHRUPGOGNGDMS-MBOZVWFJSA-N 2 0 339.483 2.715 20 70 EFIDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000159638221 533793128 /nfs/dbraw/zinc/79/31/28/533793128.db2.gz OTOSCJMYJXLGKW-ZDUSSCGKSA-N 2 0 328.464 2.622 20 70 EFIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000160261064 533857223 /nfs/dbraw/zinc/85/72/23/533857223.db2.gz LAVLRQVRVTWDQN-AWEZNQCLSA-N 2 0 341.446 2.965 20 70 EFIDRP CCc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000216914901 524049006 /nfs/dbraw/zinc/04/90/06/524049006.db2.gz AQWCMOHQXKJEBL-BEFAXECRSA-N 2 0 346.519 2.634 20 70 EFIDRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160270825 528152023 /nfs/dbraw/zinc/15/20/23/528152023.db2.gz YMMXNEMIKLYLKV-MJGOQNOKSA-N 3 0 333.520 2.980 20 70 EFIDRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000159537382 528238209 /nfs/dbraw/zinc/23/82/09/528238209.db2.gz BDIPTMYHQSHHPN-IBGZPJMESA-N 2 0 346.519 2.807 20 70 EFIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159611496 528896291 /nfs/dbraw/zinc/89/62/91/528896291.db2.gz JHOYNHNTJWJHHQ-IEBWSBKVSA-N 2 0 346.519 2.631 20 70 EFIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000160194617 529165194 /nfs/dbraw/zinc/16/51/94/529165194.db2.gz ZERQAAPXHRSEHK-GOSISDBHSA-N 2 0 347.503 2.525 20 70 EFIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCCO2 ZINC000160194496 529601581 /nfs/dbraw/zinc/60/15/81/529601581.db2.gz ZERQAAPXHRSEHK-SFHVURJKSA-N 2 0 347.503 2.525 20 70 EFIDRP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000159713025 239032086 /nfs/dbraw/zinc/03/20/86/239032086.db2.gz LYXBHUJPFCNYJP-SFHVURJKSA-N 2 0 329.488 2.676 20 70 EFIDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159567156 225241819 /nfs/dbraw/zinc/24/18/19/225241819.db2.gz VQDIDEWEQKXNMI-OTWHNJEPSA-N 2 0 330.472 2.674 20 70 EFIDRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000160407198 225406680 /nfs/dbraw/zinc/40/66/80/225406680.db2.gz FUFONWKELAVHBG-APWZRJJASA-N 2 0 325.456 2.756 20 70 EFIDRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(-n2cnnn2)c1 ZINC000160457367 544805790 /nfs/dbraw/zinc/80/57/90/544805790.db2.gz FCEYISRUFFWANN-HNNXBMFYSA-N 2 0 340.475 2.720 20 70 EFIDRP C[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000160786987 544808953 /nfs/dbraw/zinc/80/89/53/544808953.db2.gz BOWJOONDFXCFSL-APWZRJJASA-N 2 0 329.488 2.670 20 70 EFIDRP C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161320899 544813944 /nfs/dbraw/zinc/81/39/44/544813944.db2.gz RVLQUXJWEHIXRY-QGZVFWFLSA-N 2 0 342.487 2.599 20 70 EFIDRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159621174 279280507 /nfs/dbraw/zinc/28/05/07/279280507.db2.gz AOPHFTAIUPZDNM-ROUUACIJSA-N 2 0 336.524 2.521 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000161123207 473209147 /nfs/dbraw/zinc/20/91/47/473209147.db2.gz ATBDXUDVTGZZRP-FQEVSTJZSA-N 2 0 343.515 2.747 20 70 EFIDRP COCC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C ZINC000161150349 473212237 /nfs/dbraw/zinc/21/22/37/473212237.db2.gz YDIOUKGWSZIXNE-HXUWFJFHSA-N 2 0 334.504 2.794 20 70 EFIDRP CCN1CCCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000161206976 473217463 /nfs/dbraw/zinc/21/74/63/473217463.db2.gz NVFNEROHNDPSBW-YSIASYRMSA-N 2 0 330.520 2.756 20 70 EFIDRP O=C1OCCN1c1cccc2c1CCN(CCC[NH+]1CCCCC1)C2 ZINC000161379835 473231305 /nfs/dbraw/zinc/23/13/05/473231305.db2.gz SNLDFSSHLUNWKI-UHFFFAOYSA-N 2 0 343.471 2.877 20 70 EFIDRP CC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000161425537 473234766 /nfs/dbraw/zinc/23/47/66/473234766.db2.gz CAXFTDYTUDVISZ-MWXLCCTBSA-N 2 0 343.515 2.588 20 70 EFIDRP CC(C)[NH+](CCNC(=O)N1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000159719776 473054647 /nfs/dbraw/zinc/05/46/47/473054647.db2.gz MJLSZVPFMICWSE-UHFFFAOYSA-N 2 0 340.556 2.869 20 70 EFIDRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160858546 473183080 /nfs/dbraw/zinc/18/30/80/473183080.db2.gz NUKOLLMFWMHIQG-MJGOQNOKSA-N 2 0 348.535 2.663 20 70 EFIDRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161012063 473199254 /nfs/dbraw/zinc/19/92/54/473199254.db2.gz RZXSJHIDUUJTHW-BRWVUGGUSA-N 2 0 331.504 2.844 20 70 EFIDRP CCc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)[NH+](C)C)cc1 ZINC000216914957 524048972 /nfs/dbraw/zinc/04/89/72/524048972.db2.gz AQWCMOHQXKJEBL-KXBFYZLASA-N 2 0 346.519 2.634 20 70 EFIDRP CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000161050398 528286912 /nfs/dbraw/zinc/28/69/12/528286912.db2.gz AKOVJUXMLRMZCP-LJQANCHMSA-N 2 0 331.504 2.918 20 70 EFIDRP