smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161002899 372294180 /nfs/dbraw/zinc/29/41/80/372294180.db2.gz VXGODTAGULUNAT-ZMSDIMECSA-N 2 0 276.399 3.275 20 70 CGIDRP C[C@H]([NH2+]CCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000159650054 542150742 /nfs/dbraw/zinc/15/07/42/542150742.db2.gz QQPJCOOLUGVMQU-ZDUSSCGKSA-N 2 0 296.842 3.039 20 70 CGIDRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000217570986 572394613 /nfs/dbraw/zinc/39/46/13/572394613.db2.gz QNMAUCALANQMAP-TWMKSMIVSA-N 2 0 266.473 3.379 20 70 CGIDRP CC(C)C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161348099 528389276 /nfs/dbraw/zinc/38/92/76/528389276.db2.gz NOGBAABWYMGNAD-INIZCTEOSA-N 2 0 252.446 3.230 20 70 CGIDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034647 372297012 /nfs/dbraw/zinc/29/70/12/372297012.db2.gz BOXOVJHDLKZTBA-YQQAZPJKSA-N 2 0 258.409 3.136 20 70 CGIDRP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217527142 376174275 /nfs/dbraw/zinc/17/42/75/376174275.db2.gz GLCPLRIIBRRZSK-NEPJUHHUSA-N 2 0 284.350 3.020 20 70 CGIDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565772 376176050 /nfs/dbraw/zinc/17/60/50/376176050.db2.gz UXNPEZOWRDWFKQ-DYVFJYSZSA-N 2 0 276.399 3.208 20 70 CGIDRP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159475179 372147553 /nfs/dbraw/zinc/14/75/53/372147553.db2.gz LJZGFVNQYYRWDB-XYJFISCASA-N 2 0 274.452 3.164 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160326470 372237963 /nfs/dbraw/zinc/23/79/63/372237963.db2.gz IRCIGAFNDRJOBH-WBVHZDCISA-N 2 0 290.451 3.261 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514361 372253904 /nfs/dbraw/zinc/25/39/04/372253904.db2.gz POOMDRSTNZMWJF-GDBMZVCRSA-N 2 0 278.465 3.099 20 70 CGIDRP C[C@@H]([NH2+]CCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000159650183 542150895 /nfs/dbraw/zinc/15/08/95/542150895.db2.gz QQPJCOOLUGVMQU-CYBMUJFWSA-N 2 0 296.842 3.039 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359441 397658621 /nfs/dbraw/zinc/65/86/21/397658621.db2.gz UXPCPICRXBWRLF-CPUCHLNUSA-N 2 0 290.426 3.176 20 70 CGIDRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161040005 295209844 /nfs/dbraw/zinc/20/98/44/295209844.db2.gz AKTPRSRBKBCNBO-SNPRPXQTSA-N 2 0 294.414 3.358 20 70 CGIDRP C(C[NH+]1CCCCC1)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000161450822 518386924 /nfs/dbraw/zinc/38/69/24/518386924.db2.gz OPRPUYJKUIBXQU-UHFFFAOYSA-N 2 0 294.483 3.001 20 70 CGIDRP CC(C)C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160755561 528381199 /nfs/dbraw/zinc/38/11/99/528381199.db2.gz JPBOISHRPIXFKU-INIZCTEOSA-N 2 0 252.446 3.373 20 70 CGIDRP CCCCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000160209173 528587092 /nfs/dbraw/zinc/58/70/92/528587092.db2.gz FEEXQZPSZLBEFM-YESZJQIVSA-N 2 0 282.472 3.094 20 70 CGIDRP C[C@H]1C[C@H]1c1ccc(C[N@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695650 372170545 /nfs/dbraw/zinc/17/05/45/372170545.db2.gz VKZMAZBHIJVYDV-XJKSGUPXSA-N 2 0 285.391 3.264 20 70 CGIDRP CC[C@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1 ZINC000160279315 372233517 /nfs/dbraw/zinc/23/35/17/372233517.db2.gz ALHXHZBPHZNVNG-HNNXBMFYSA-N 2 0 278.440 3.295 20 70 CGIDRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000161040924 274137347 /nfs/dbraw/zinc/13/73/47/274137347.db2.gz LVJSSZIPJCKBBH-IIDMSEBBSA-N 2 0 288.435 3.145 20 70 CGIDRP CC[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160889289 372284726 /nfs/dbraw/zinc/28/47/26/372284726.db2.gz JHPLEEQHNDTLCK-WMLDXEAASA-N 2 0 260.425 3.285 20 70 CGIDRP CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217657814 376177492 /nfs/dbraw/zinc/17/74/92/376177492.db2.gz MGUYTXXAPVGMMA-QGTPRVQTSA-N 2 0 288.435 3.363 20 70 CGIDRP CCCCOCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160259395 528587035 /nfs/dbraw/zinc/58/70/35/528587035.db2.gz LTWAHOUDPWRRMX-JKSUJKDBSA-N 2 0 270.461 3.094 20 70 CGIDRP C[C@@H]1C[C@H]1c1ccc(C[N@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695514 372170718 /nfs/dbraw/zinc/17/07/18/372170718.db2.gz VKZMAZBHIJVYDV-CZUORRHYSA-N 2 0 285.391 3.264 20 70 CGIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111561 372302581 /nfs/dbraw/zinc/30/25/81/372302581.db2.gz LWCZMMHXEYBBES-RCBQFDQVSA-N 2 0 264.388 3.349 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659378 372266659 /nfs/dbraw/zinc/26/66/59/372266659.db2.gz DAKBPLZLBWTDPV-UKRRQHHQSA-N 2 0 295.496 3.094 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCCCc2nc(C)cs2)[C@H](C)C1 ZINC000160659256 372266764 /nfs/dbraw/zinc/26/67/64/372266764.db2.gz DAKBPLZLBWTDPV-HIFRSBDPSA-N 2 0 295.496 3.094 20 70 CGIDRP FC(F)Oc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217643460 376177598 /nfs/dbraw/zinc/17/75/98/376177598.db2.gz XOZASSFMMFUZNR-GJZGRUSLSA-N 2 0 296.361 3.004 20 70 CGIDRP C(C[N@@H+]1CCC[C@H]1C1CCC1)C[NH+]1CCCCC1 ZINC000160886533 392583397 /nfs/dbraw/zinc/58/33/97/392583397.db2.gz PLYKFVNOZOYHIY-INIZCTEOSA-N 2 0 250.430 3.127 20 70 CGIDRP CC[NH+]1CCC(C[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160919939 321860184 /nfs/dbraw/zinc/86/01/84/321860184.db2.gz KQEZHXGSYFHVGK-UHFFFAOYSA-N 2 0 284.806 3.301 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCSc2ccccc2)[C@H](C)C1 ZINC000160514220 372253861 /nfs/dbraw/zinc/25/38/61/372253861.db2.gz POOMDRSTNZMWJF-ZBFHGGJFSA-N 2 0 278.465 3.099 20 70 CGIDRP C[NH2+]CCC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000161143577 372305472 /nfs/dbraw/zinc/30/54/72/372305472.db2.gz QEVRLGUCXDJBIX-UHFFFAOYSA-N 2 0 284.806 3.301 20 70 CGIDRP Cc1nccn1CCCC[N@H+](C1CC1)C1CCCC1 ZINC000161379276 372319776 /nfs/dbraw/zinc/31/97/76/372319776.db2.gz MXTQLVUBNVPUMO-UHFFFAOYSA-N 2 0 261.413 3.379 20 70 CGIDRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000217571398 376176185 /nfs/dbraw/zinc/17/61/85/376176185.db2.gz DSHKQURYYKKANV-KSSFIOAISA-N 2 0 288.435 3.004 20 70 CGIDRP CC(C)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161262621 527652021 /nfs/dbraw/zinc/65/20/21/527652021.db2.gz BKNMENVIGWJPPF-UHFFFAOYSA-N 2 0 252.446 3.230 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003109 282190582 /nfs/dbraw/zinc/19/05/82/282190582.db2.gz VXGODTAGULUNAT-BFYDXBDKSA-N 2 0 276.399 3.275 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359785 392584808 /nfs/dbraw/zinc/58/48/08/392584808.db2.gz UXPCPICRXBWRLF-JKIFEVAISA-N 2 0 290.426 3.176 20 70 CGIDRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000159452304 346167575 /nfs/dbraw/zinc/16/75/75/346167575.db2.gz OOBAOURJDGCMLB-CWRNSKLLSA-N 2 0 284.513 3.371 20 70 CGIDRP CC[C@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160888924 372285826 /nfs/dbraw/zinc/28/58/26/372285826.db2.gz JHPLEEQHNDTLCK-PBHICJAKSA-N 2 0 260.425 3.285 20 70 CGIDRP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161097922 372300078 /nfs/dbraw/zinc/30/00/78/372300078.db2.gz JLOQWENBUOBATN-SOLBZPMBSA-N 2 0 272.436 3.445 20 70 CGIDRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000160955509 542157470 /nfs/dbraw/zinc/15/74/70/542157470.db2.gz AMAULUVJJICCGM-INIZCTEOSA-N 2 0 272.436 3.180 20 70 CGIDRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112319 525330978 /nfs/dbraw/zinc/33/09/78/525330978.db2.gz RSAOBSSNCRNSLX-IMJJTQAJSA-N 2 0 276.424 3.219 20 70 CGIDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160897611 530049047 /nfs/dbraw/zinc/04/90/47/530049047.db2.gz ACBGWIJKUSNPNJ-UHFFFAOYSA-N 2 0 284.806 3.301 20 70 CGIDRP C[C@@H](CNCc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000160400612 232245850 /nfs/dbraw/zinc/24/58/50/232245850.db2.gz GWJFXZMLAAMFIP-ZDUSSCGKSA-N 2 0 282.378 3.176 20 70 CGIDRP CC[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](CC)CC ZINC000160296382 372235730 /nfs/dbraw/zinc/23/57/30/372235730.db2.gz LZZHEPKWILGZAA-OAHLLOKOSA-N 2 0 278.440 3.295 20 70 CGIDRP C[C@H](C[NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccccc1 ZINC000217631027 376177569 /nfs/dbraw/zinc/17/75/69/376177569.db2.gz CCULJWMTQSQBTH-PVAVHDDUSA-N 2 0 258.409 3.007 20 70 CGIDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000161095812 572882572 /nfs/dbraw/zinc/88/25/72/572882572.db2.gz IXPOATPZVXTTQR-AWEZNQCLSA-N 2 0 272.392 3.253 20 70 CGIDRP FC(F)Oc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217643379 376176317 /nfs/dbraw/zinc/17/63/17/376176317.db2.gz XOZASSFMMFUZNR-CABCVRRESA-N 2 0 296.361 3.004 20 70 CGIDRP CC1CC[NH+](CCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218079146 376184911 /nfs/dbraw/zinc/18/49/11/376184911.db2.gz DRDZQHWBCPXKOA-UHFFFAOYSA-N 2 0 285.435 3.380 20 70 CGIDRP Cc1ccc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365506 376187038 /nfs/dbraw/zinc/18/70/38/376187038.db2.gz YRMMAWVBIRMILQ-YOEHRIQHSA-N 2 0 283.419 3.116 20 70 CGIDRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000217933885 392996271 /nfs/dbraw/zinc/99/62/71/392996271.db2.gz SVQDQGQKRDKHMJ-JYYAWHABSA-N 2 0 260.425 3.108 20 70 CGIDRP CC1(C)C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C(C)(C)O1 ZINC000160501483 278388135 /nfs/dbraw/zinc/38/81/35/278388135.db2.gz UXXJIMATUKJVHR-INIZCTEOSA-N 2 0 294.483 3.329 20 70 CGIDRP Cc1ncc([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000160866080 527309657 /nfs/dbraw/zinc/30/96/57/527309657.db2.gz JBZUFTRZJNZQNS-ZDUSSCGKSA-N 2 0 298.434 3.006 20 70 CGIDRP CC(C)CCOC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000160593729 527745893 /nfs/dbraw/zinc/74/58/93/527745893.db2.gz TZSAGKJTCWHZQL-UHFFFAOYSA-N 2 0 296.499 3.390 20 70 CGIDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003014 372293917 /nfs/dbraw/zinc/29/39/17/372293917.db2.gz VXGODTAGULUNAT-YQQAZPJKSA-N 2 0 276.399 3.275 20 70 CGIDRP CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160823808 372278856 /nfs/dbraw/zinc/27/88/56/372278856.db2.gz KJCHJVVSQNHVKW-YJBOKZPZSA-N 2 0 290.451 3.295 20 70 CGIDRP CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000159804446 542150886 /nfs/dbraw/zinc/15/08/86/542150886.db2.gz UDTVEACKGHSMBD-USXIJHARSA-N 2 0 296.499 3.290 20 70 CGIDRP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000160767772 526208474 /nfs/dbraw/zinc/20/84/74/526208474.db2.gz OIGQGOXBOJHVKT-GOSISDBHSA-N 2 0 272.436 3.445 20 70 CGIDRP CC[C@@]1(C)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161311006 529523816 /nfs/dbraw/zinc/52/38/16/529523816.db2.gz HMKNFICJMHZLQZ-INIZCTEOSA-N 2 0 252.446 3.375 20 70 CGIDRP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161020509 372294314 /nfs/dbraw/zinc/29/43/14/372294314.db2.gz KQQJAFLEJJJWLR-MPGHIAIKSA-N 2 0 272.436 3.445 20 70 CGIDRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161234540 372310663 /nfs/dbraw/zinc/31/06/63/372310663.db2.gz HBYRTFVHLPHQMG-DLBZAZTESA-N 2 0 290.451 3.002 20 70 CGIDRP Cc1cc(C)cc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000159514861 542149591 /nfs/dbraw/zinc/14/95/91/542149591.db2.gz JUWOIIGOKRTLAY-INIZCTEOSA-N 2 0 274.452 3.166 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972766 274339594 /nfs/dbraw/zinc/33/95/94/274339594.db2.gz DGQHNIJNJANJDM-YQYZPQCESA-N 2 0 272.436 3.035 20 70 CGIDRP C(C[N@@H+]1CCC[C@@H]1C1CCC1)C[NH+]1CCCCC1 ZINC000160886392 518389863 /nfs/dbraw/zinc/38/98/63/518389863.db2.gz PLYKFVNOZOYHIY-MRXNPFEDSA-N 2 0 250.430 3.127 20 70 CGIDRP C[C@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@@H+]1C ZINC000160476137 372250704 /nfs/dbraw/zinc/25/07/04/372250704.db2.gz OMWSFKPFOYIPRP-GJZGRUSLSA-N 2 0 290.476 3.384 20 70 CGIDRP c1oc2ccccc2c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000161112259 372301917 /nfs/dbraw/zinc/30/19/17/372301917.db2.gz RUUGNRQRHRFWAY-KRWDZBQOSA-N 2 0 284.403 3.397 20 70 CGIDRP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513501 376175013 /nfs/dbraw/zinc/17/50/13/376175013.db2.gz IBGDPNFHYIAESK-NEPJUHHUSA-N 2 0 286.341 3.437 20 70 CGIDRP Cc1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000218044596 376183490 /nfs/dbraw/zinc/18/34/90/376183490.db2.gz IOAPMOAVHXIKIV-SJORKVTESA-N 2 0 258.409 3.020 20 70 CGIDRP Cc1cc(C)cc(OCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000161255793 542157895 /nfs/dbraw/zinc/15/78/95/542157895.db2.gz DTXXRAISRPWMFE-INIZCTEOSA-N 2 0 290.451 3.002 20 70 CGIDRP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC2 ZINC000160767889 526191328 /nfs/dbraw/zinc/19/13/28/526191328.db2.gz OIGQGOXBOJHVKT-SFHVURJKSA-N 2 0 272.436 3.445 20 70 CGIDRP C[C@H](CNCc1cc(F)cc(F)c1)C[NH+]1CCCCC1 ZINC000160400735 232245632 /nfs/dbraw/zinc/24/56/32/232245632.db2.gz GWJFXZMLAAMFIP-CYBMUJFWSA-N 2 0 282.378 3.176 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466341 372145984 /nfs/dbraw/zinc/14/59/84/372145984.db2.gz RQPZYGVAYVMFEQ-AEFFLSMTSA-N 2 0 274.452 3.166 20 70 CGIDRP C[C@H]1C[C@@H]1c1ccc(C[N@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695376 372169695 /nfs/dbraw/zinc/16/96/95/372169695.db2.gz VKZMAZBHIJVYDV-BBRMVZONSA-N 2 0 285.391 3.264 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000160333503 372239709 /nfs/dbraw/zinc/23/97/09/372239709.db2.gz JKUSHDYRQACIEL-YJBOKZPZSA-N 2 0 290.451 3.119 20 70 CGIDRP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160696700 372269413 /nfs/dbraw/zinc/26/94/13/372269413.db2.gz FFMRFNJRHHYRRR-SQNIBIBYSA-N 2 0 296.499 3.028 20 70 CGIDRP CN(Cc1cc(F)cc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161133877 372303839 /nfs/dbraw/zinc/30/38/39/372303839.db2.gz KCDRIHUPRADFTC-YIONKMFJSA-N 2 0 282.790 3.194 20 70 CGIDRP Fc1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000161138444 372303570 /nfs/dbraw/zinc/30/35/70/372303570.db2.gz KHYBAZMFKJPFDC-MRXNPFEDSA-N 2 0 296.817 3.443 20 70 CGIDRP C(C[NH+]1CCC([NH+]2CCCC2)CC1)C1CCCC1 ZINC000160592416 518385438 /nfs/dbraw/zinc/38/54/38/518385438.db2.gz KGLSXHAOSJMZPT-UHFFFAOYSA-N 2 0 250.430 3.127 20 70 CGIDRP CC[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)cc1 ZINC000160279188 372233739 /nfs/dbraw/zinc/23/37/39/372233739.db2.gz ALHXHZBPHZNVNG-OAHLLOKOSA-N 2 0 278.440 3.295 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000160333361 372239758 /nfs/dbraw/zinc/23/97/58/372239758.db2.gz JKUSHDYRQACIEL-QAPCUYQASA-N 2 0 290.451 3.119 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034513 372296508 /nfs/dbraw/zinc/29/65/08/372296508.db2.gz BOXOVJHDLKZTBA-ZMSDIMECSA-N 2 0 258.409 3.136 20 70 CGIDRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC000161040675 372297417 /nfs/dbraw/zinc/29/74/17/372297417.db2.gz LVJSSZIPJCKBBH-HDMKZQKVSA-N 2 0 288.435 3.145 20 70 CGIDRP Cc1csc(CCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000160668149 372266608 /nfs/dbraw/zinc/26/66/08/372266608.db2.gz TWJWHUUWELFZTQ-NWANDNLSSA-N 2 0 295.496 3.093 20 70 CGIDRP CC[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160889030 372285167 /nfs/dbraw/zinc/28/51/67/372285167.db2.gz JHPLEEQHNDTLCK-RHSMWYFYSA-N 2 0 260.425 3.285 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359550 392584620 /nfs/dbraw/zinc/58/46/20/392584620.db2.gz UXPCPICRXBWRLF-KEYYUXOJSA-N 2 0 290.426 3.176 20 70 CGIDRP CCCO[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161026358 520285287 /nfs/dbraw/zinc/28/52/87/520285287.db2.gz GGUDAFMBVBCIMV-KRWDZBQOSA-N 2 0 282.472 3.144 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000161013288 372294871 /nfs/dbraw/zinc/29/48/71/372294871.db2.gz GKOULCFFAWKDSW-QRVBRYPASA-N 2 0 286.463 3.470 20 70 CGIDRP c1ccc([C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161300013 372315833 /nfs/dbraw/zinc/31/58/33/372315833.db2.gz SMXZMWIAQGVZNB-SFHVURJKSA-N 2 0 272.436 3.352 20 70 CGIDRP FC(F)(F)c1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217644019 376176137 /nfs/dbraw/zinc/17/61/37/376176137.db2.gz IZDOPOAWVGNWJP-GJZGRUSLSA-N 2 0 298.352 3.422 20 70 CGIDRP c1oc2ccccc2c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110291 572414085 /nfs/dbraw/zinc/41/40/85/572414085.db2.gz LEAQSKYLBXKSIV-YOEHRIQHSA-N 2 0 284.403 3.397 20 70 CGIDRP C[C@H](C[NH2+]Cc1cccc2cc[nH]c21)C[NH+]1CCCCC1 ZINC000218119608 138492401 /nfs/dbraw/zinc/49/24/01/138492401.db2.gz DOYKTYKAMLQDIE-OAHLLOKOSA-N 2 0 285.435 3.380 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767801 372177951 /nfs/dbraw/zinc/17/79/51/372177951.db2.gz PBYQQYMIKQOYOK-CKEIUWERSA-N 2 0 278.415 3.077 20 70 CGIDRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161041051 372297311 /nfs/dbraw/zinc/29/73/11/372297311.db2.gz LVJSSZIPJCKBBH-RVKKMQEKSA-N 2 0 288.435 3.145 20 70 CGIDRP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161040800 372297356 /nfs/dbraw/zinc/29/73/56/372297356.db2.gz LVJSSZIPJCKBBH-RLFYNMQTSA-N 2 0 288.435 3.145 20 70 CGIDRP C[C@@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160029595 346169315 /nfs/dbraw/zinc/16/93/15/346169315.db2.gz LLDBEDBLOOXQFK-HONMWMINSA-N 2 0 297.240 3.370 20 70 CGIDRP CC[NH2+]CC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000161118348 372302057 /nfs/dbraw/zinc/30/20/57/372302057.db2.gz RBFSKBNPJHUYIX-UHFFFAOYSA-N 2 0 272.392 3.254 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355483 372317937 /nfs/dbraw/zinc/31/79/37/372317937.db2.gz HPEVQKMFMMOKSM-PBHICJAKSA-N 2 0 290.426 3.177 20 70 CGIDRP CCCCOCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000160259494 528587608 /nfs/dbraw/zinc/58/76/08/528587608.db2.gz LTWAHOUDPWRRMX-HZPDHXFCSA-N 2 0 270.461 3.094 20 70 CGIDRP CCSCC[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000160055608 136392967 /nfs/dbraw/zinc/39/29/67/136392967.db2.gz WMJIZSFPBGGFEO-CQSZACIVSA-N 2 0 293.480 3.172 20 70 CGIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000160761238 372273091 /nfs/dbraw/zinc/27/30/91/372273091.db2.gz WADDDWDJTYIHBJ-MSOLQXFVSA-N 2 0 296.499 3.172 20 70 CGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111476 372302446 /nfs/dbraw/zinc/30/24/46/372302446.db2.gz LWCZMMHXEYBBES-WQVCFCJDSA-N 2 0 264.388 3.349 20 70 CGIDRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112660 525164573 /nfs/dbraw/zinc/16/45/73/525164573.db2.gz RSAOBSSNCRNSLX-KBMXLJTQSA-N 2 0 276.424 3.219 20 70 CGIDRP c1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000161110422 572337738 /nfs/dbraw/zinc/33/77/38/572337738.db2.gz LEAQSKYLBXKSIV-PBHICJAKSA-N 2 0 284.403 3.397 20 70 CGIDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000160801078 346172097 /nfs/dbraw/zinc/17/20/97/346172097.db2.gz PILDGWVESFHVKT-UHFFFAOYSA-N 2 0 284.806 3.301 20 70 CGIDRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161051113 372298096 /nfs/dbraw/zinc/29/80/96/372298096.db2.gz QCQVZHXRIFGHAM-NYCLONFESA-N 2 0 272.436 3.382 20 70 CGIDRP C1CCC([NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)CC1 ZINC000159522270 372152265 /nfs/dbraw/zinc/15/22/65/372152265.db2.gz XDNBRNNXRKKQEM-HNNXBMFYSA-N 2 0 282.497 3.269 20 70 CGIDRP C[C@@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@@H+]1C ZINC000160475748 372249756 /nfs/dbraw/zinc/24/97/56/372249756.db2.gz OMWSFKPFOYIPRP-HUUCEWRRSA-N 2 0 290.476 3.384 20 70 CGIDRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304870 392581659 /nfs/dbraw/zinc/58/16/59/392581659.db2.gz DBPAPNUZBTXZBM-RBSFLKMASA-N 2 0 294.414 3.055 20 70 CGIDRP C[C@H](CC1CCOCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159640177 321837967 /nfs/dbraw/zinc/83/79/67/321837967.db2.gz FKZCNYKPYUSJIJ-CYBMUJFWSA-N 2 0 282.472 3.090 20 70 CGIDRP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000161423387 521160423 /nfs/dbraw/zinc/16/04/23/521160423.db2.gz KRXVJRMQTAIRQL-MRXNPFEDSA-N 2 0 276.424 3.001 20 70 CGIDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cncc(F)c1 ZINC000160886797 525522019 /nfs/dbraw/zinc/52/20/19/525522019.db2.gz PVBCJWDOPIDPOT-CYBMUJFWSA-N 2 0 287.382 3.133 20 70 CGIDRP CCCCOCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160259254 528586805 /nfs/dbraw/zinc/58/68/05/528586805.db2.gz LTWAHOUDPWRRMX-CVEARBPZSA-N 2 0 270.461 3.094 20 70 CGIDRP C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000161380248 572448695 /nfs/dbraw/zinc/44/86/95/572448695.db2.gz ORZDUTLYUYTZLN-AWEZNQCLSA-N 2 0 290.426 3.177 20 70 CGIDRP Cc1cccc(C)c1OCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161231690 372310686 /nfs/dbraw/zinc/31/06/86/372310686.db2.gz HVZPOFDBODEVKB-IAGOWNOFSA-N 2 0 290.451 3.145 20 70 CGIDRP C(C[N@@H+]1CCC2(CCCC2)C1)C[NH+]1CCCCC1 ZINC000161317989 518387201 /nfs/dbraw/zinc/38/72/01/518387201.db2.gz OSEXMYIKGUBJLM-UHFFFAOYSA-N 2 0 250.430 3.129 20 70 CGIDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2coc3ccccc23)C1 ZINC000161095681 572882684 /nfs/dbraw/zinc/88/26/84/572882684.db2.gz IXPOATPZVXTTQR-CQSZACIVSA-N 2 0 272.392 3.253 20 70 CGIDRP c1oc2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000159817897 372182763 /nfs/dbraw/zinc/18/27/63/372182763.db2.gz VFKIBPZBDJPGGF-CYBMUJFWSA-N 2 0 270.376 3.007 20 70 CGIDRP C[C@@H](C[NH2+]C(C1CC1)C1CC1)N(C)Cc1ccccc1 ZINC000160860068 372282722 /nfs/dbraw/zinc/28/27/22/372282722.db2.gz MVCATLMQDYYJRE-AWEZNQCLSA-N 2 0 272.436 3.285 20 70 CGIDRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658457 376177069 /nfs/dbraw/zinc/17/70/69/376177069.db2.gz XWSBBBUZGYGNSM-UVBJJODRSA-N 2 0 280.362 3.242 20 70 CGIDRP CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(C)C ZINC000159804157 542150949 /nfs/dbraw/zinc/15/09/49/542150949.db2.gz UDTVEACKGHSMBD-BHYGNILZSA-N 2 0 296.499 3.290 20 70 CGIDRP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160388065 524261651 /nfs/dbraw/zinc/26/16/51/524261651.db2.gz HVVQQOCDGZYIGP-JKSUJKDBSA-N 2 0 258.409 3.020 20 70 CGIDRP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CCn2ccnc2)C2CC2)o1 ZINC000159695237 372169450 /nfs/dbraw/zinc/16/94/50/372169450.db2.gz VKZMAZBHIJVYDV-CJNGLKHVSA-N 2 0 285.391 3.264 20 70 CGIDRP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161020258 372294825 /nfs/dbraw/zinc/29/48/25/372294825.db2.gz KQQJAFLEJJJWLR-VKJFTORMSA-N 2 0 272.436 3.445 20 70 CGIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033480 372296340 /nfs/dbraw/zinc/29/63/40/372296340.db2.gz VMQUIDDPJVRNQL-XQQFMLRXSA-N 2 0 252.427 3.272 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161359669 392584395 /nfs/dbraw/zinc/58/43/95/392584395.db2.gz UXPCPICRXBWRLF-CKEIUWERSA-N 2 0 290.426 3.176 20 70 CGIDRP CCSCC[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000160055750 535691578 /nfs/dbraw/zinc/69/15/78/535691578.db2.gz WMJIZSFPBGGFEO-AWEZNQCLSA-N 2 0 293.480 3.172 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080524 572882469 /nfs/dbraw/zinc/88/24/69/572882469.db2.gz UYVVPMKYYKJZCN-BFYDXBDKSA-N 2 0 276.399 3.275 20 70 CGIDRP C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CC[NH+](C)CC1 ZINC000161380363 572885277 /nfs/dbraw/zinc/88/52/77/572885277.db2.gz ORZDUTLYUYTZLN-CQSZACIVSA-N 2 0 290.426 3.177 20 70 CGIDRP CC[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1CC1 ZINC000160889165 372285721 /nfs/dbraw/zinc/28/57/21/372285721.db2.gz JHPLEEQHNDTLCK-YOEHRIQHSA-N 2 0 260.425 3.285 20 70 CGIDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472379 372327997 /nfs/dbraw/zinc/32/79/97/372327997.db2.gz VRHLLPYAOAHVTL-INIZCTEOSA-N 2 0 288.435 3.014 20 70 CGIDRP C(CN1CCCCC1)C[N@H+](C1CC1)C1CCCC1 ZINC000161015133 372294675 /nfs/dbraw/zinc/29/46/75/372294675.db2.gz YWSORZJXHSOSAF-UHFFFAOYSA-N 2 0 250.430 3.269 20 70 CGIDRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000161234657 372311349 /nfs/dbraw/zinc/31/13/49/372311349.db2.gz HBYRTFVHLPHQMG-IRXDYDNUSA-N 2 0 290.451 3.002 20 70 CGIDRP CCC[NH+]1CCC([NH2+]Cc2c(C)cccc2C)CC1 ZINC000160381853 528204501 /nfs/dbraw/zinc/20/45/01/528204501.db2.gz ZETWCXSVWSUXGS-UHFFFAOYSA-N 2 0 260.425 3.267 20 70 CGIDRP CCCC[C@@H](COC)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159621342 372163368 /nfs/dbraw/zinc/16/33/68/372163368.db2.gz PTQYADCDIDAZPE-ZDUSSCGKSA-N 2 0 270.461 3.090 20 70 CGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161111967 372302262 /nfs/dbraw/zinc/30/22/62/372302262.db2.gz QXLNAJPHKDMFMR-WQVCFCJDSA-N 2 0 264.388 3.349 20 70 CGIDRP CCC[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(OC)cc1 ZINC000161430232 372324244 /nfs/dbraw/zinc/32/42/44/372324244.db2.gz IUQHICJMCXCQRS-QGZVFWFLSA-N 2 0 276.424 3.220 20 70 CGIDRP COc1ccc([C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000217566849 376177750 /nfs/dbraw/zinc/17/77/50/376177750.db2.gz LGHUHRRNRCXRIY-KSSFIOAISA-N 2 0 288.435 3.078 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972632 274340565 /nfs/dbraw/zinc/34/05/65/274340565.db2.gz DGQHNIJNJANJDM-AHEZYBDSSA-N 2 0 272.436 3.035 20 70 CGIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487388 524556519 /nfs/dbraw/zinc/55/65/19/524556519.db2.gz JBCHIOHHXHREAX-HOCLYGCPSA-N 2 0 290.476 3.241 20 70 CGIDRP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[NH+](C)C ZINC000159877456 372190613 /nfs/dbraw/zinc/19/06/13/372190613.db2.gz NWARPRCONHMWQA-ACCUITESSA-N 2 0 266.816 3.285 20 70 CGIDRP FC(F)(F)c1ccccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217643561 376176491 /nfs/dbraw/zinc/17/64/91/376176491.db2.gz NVQLGXPKROHVPR-CABCVRRESA-N 2 0 298.352 3.422 20 70 CGIDRP C(CN1CCC[C@H]2CCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161377793 392584698 /nfs/dbraw/zinc/58/46/98/392584698.db2.gz LPUOVRWECJGQHX-CVEARBPZSA-N 2 0 250.430 3.127 20 70 CGIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033738 372296670 /nfs/dbraw/zinc/29/66/70/372296670.db2.gz VMQUIDDPJVRNQL-AVGNSLFASA-N 2 0 252.427 3.272 20 70 CGIDRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160815317 372277493 /nfs/dbraw/zinc/27/74/93/372277493.db2.gz WAXIVDROTWTWQK-NVXWUHKLSA-N 2 0 290.451 3.438 20 70 CGIDRP Cc1cc(C)c([C@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000217510130 376174588 /nfs/dbraw/zinc/17/45/88/376174588.db2.gz QRRSULBZKRZEJD-HOTGVXAUSA-N 2 0 260.425 3.344 20 70 CGIDRP C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000161006478 542157402 /nfs/dbraw/zinc/15/74/02/542157402.db2.gz NLCMNHKDHRLWLF-PBHICJAKSA-N 2 0 272.436 3.036 20 70 CGIDRP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000217485842 270085214 /nfs/dbraw/zinc/08/52/14/270085214.db2.gz CSMAIFYSZRTRIL-OIISXLGYSA-N 2 0 266.473 3.379 20 70 CGIDRP CC(C)[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160506781 321853174 /nfs/dbraw/zinc/85/31/74/321853174.db2.gz BNBDUJJZRZXFCM-KRWDZBQOSA-N 2 0 264.457 3.418 20 70 CGIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160487312 524893892 /nfs/dbraw/zinc/89/38/92/524893892.db2.gz JBCHIOHHXHREAX-ZBFHGGJFSA-N 2 0 290.476 3.241 20 70 CGIDRP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC000161098132 372299951 /nfs/dbraw/zinc/29/99/51/372299951.db2.gz JLOQWENBUOBATN-XYJFISCASA-N 2 0 272.436 3.445 20 70 CGIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111659 372302227 /nfs/dbraw/zinc/30/22/27/372302227.db2.gz LWCZMMHXEYBBES-KCXAZCMYSA-N 2 0 264.388 3.349 20 70 CGIDRP C[C@H](C[NH2+]Cc1coc2ccccc12)C[NH+]1CCCC1 ZINC000159823367 372183950 /nfs/dbraw/zinc/18/39/50/372183950.db2.gz JWVZLBAANINMLJ-CQSZACIVSA-N 2 0 272.392 3.254 20 70 CGIDRP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(OC)cc1 ZINC000161423267 521157583 /nfs/dbraw/zinc/15/75/83/521157583.db2.gz KRXVJRMQTAIRQL-INIZCTEOSA-N 2 0 276.424 3.001 20 70 CGIDRP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cncs1 ZINC000160865272 525521328 /nfs/dbraw/zinc/52/13/28/525521328.db2.gz AQZZXWQRIJACKB-GFCCVEGCSA-N 2 0 275.421 3.056 20 70 CGIDRP c1ccc2c(c1)CCC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000161007662 526501944 /nfs/dbraw/zinc/50/19/44/526501944.db2.gz SQCZNVDWUYNZOJ-UHFFFAOYSA-N 2 0 272.436 3.311 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767527 372177313 /nfs/dbraw/zinc/17/73/13/372177313.db2.gz PBYQQYMIKQOYOK-CPUCHLNUSA-N 2 0 278.415 3.077 20 70 CGIDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034885 372296960 /nfs/dbraw/zinc/29/69/60/372296960.db2.gz BOXOVJHDLKZTBA-HLLBOEOZSA-N 2 0 258.409 3.136 20 70 CGIDRP Cc1csc(CCCC[NH2+][C@H](C)C2CC[NH+](C)CC2)n1 ZINC000160719109 542154700 /nfs/dbraw/zinc/15/47/00/542154700.db2.gz FOAVSFOTJHINAK-CQSZACIVSA-N 2 0 295.496 3.094 20 70 CGIDRP CC(C)[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161151824 527759854 /nfs/dbraw/zinc/75/98/54/527759854.db2.gz NGDHCWVXGLAFLH-MRXNPFEDSA-N 2 0 252.446 3.373 20 70 CGIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063554 372209129 /nfs/dbraw/zinc/20/91/29/372209129.db2.gz QRHOMXOSLJVRHY-DOMZBBRYSA-N 2 0 298.883 3.362 20 70 CGIDRP Cc1cccc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000160386442 372243118 /nfs/dbraw/zinc/24/31/18/372243118.db2.gz ANFHVSZXCXJUIT-ALOPSCKCSA-N 2 0 272.436 3.408 20 70 CGIDRP CCC[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218079035 376184773 /nfs/dbraw/zinc/18/47/73/376184773.db2.gz ZWEUAEKYVRYKGX-UHFFFAOYSA-N 2 0 271.408 3.132 20 70 CGIDRP Cc1cc(C)cc(OCC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000161255899 542157994 /nfs/dbraw/zinc/15/79/94/542157994.db2.gz DTXXRAISRPWMFE-MRXNPFEDSA-N 2 0 290.451 3.002 20 70 CGIDRP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000160387944 524261750 /nfs/dbraw/zinc/26/17/50/524261750.db2.gz HVVQQOCDGZYIGP-HZPDHXFCSA-N 2 0 258.409 3.020 20 70 CGIDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cncs1 ZINC000160865145 525440775 /nfs/dbraw/zinc/44/07/75/525440775.db2.gz AQZZXWQRIJACKB-LBPRGKRZSA-N 2 0 275.421 3.056 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760323 372175870 /nfs/dbraw/zinc/17/58/70/372175870.db2.gz VKKCHOZODIVYBT-PBHICJAKSA-N 2 0 278.415 3.078 20 70 CGIDRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305126 372235266 /nfs/dbraw/zinc/23/52/66/372235266.db2.gz DBPAPNUZBTXZBM-QLFBSQMISA-N 2 0 294.414 3.055 20 70 CGIDRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160304762 372235757 /nfs/dbraw/zinc/23/57/57/372235757.db2.gz DBPAPNUZBTXZBM-KFWWJZLASA-N 2 0 294.414 3.055 20 70 CGIDRP CC(C)[NH+]1CCC([NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218078800 376184482 /nfs/dbraw/zinc/18/44/82/376184482.db2.gz GRTVKYPNTLAUOX-UHFFFAOYSA-N 2 0 271.408 3.130 20 70 CGIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCSc1ccc(Cl)cc1 ZINC000160063696 372209199 /nfs/dbraw/zinc/20/91/99/372209199.db2.gz QRHOMXOSLJVRHY-WFASDCNBSA-N 2 0 298.883 3.362 20 70 CGIDRP COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217666624 376177193 /nfs/dbraw/zinc/17/71/93/376177193.db2.gz CVJPDNMNBFYHAI-MAZHCROVSA-N 2 0 292.398 3.112 20 70 CGIDRP CCC[NH+]1CCC([NH2+]CCc2cc(C)cc(C)c2)CC1 ZINC000159449939 542149640 /nfs/dbraw/zinc/14/96/40/542149640.db2.gz RGJHMKVEPBZMLP-UHFFFAOYSA-N 2 0 274.452 3.310 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1 ZINC000161080309 572882645 /nfs/dbraw/zinc/88/26/45/572882645.db2.gz UYVVPMKYYKJZCN-ZMSDIMECSA-N 2 0 276.399 3.275 20 70 CGIDRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000160061615 372208371 /nfs/dbraw/zinc/20/83/71/372208371.db2.gz IJSOHMBXLALANF-INIZCTEOSA-N 2 0 295.515 3.103 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160326352 372237828 /nfs/dbraw/zinc/23/78/28/372237828.db2.gz IRCIGAFNDRJOBH-DOTOQJQBSA-N 2 0 290.451 3.261 20 70 CGIDRP CC[NH+]1CCC(C[NH2+]Cc2coc3ccccc23)CC1 ZINC000161098118 572882608 /nfs/dbraw/zinc/88/26/08/572882608.db2.gz XTSQEVFHFDBJPK-UHFFFAOYSA-N 2 0 272.392 3.254 20 70 CGIDRP C[C@@H]1C[C@H]1C[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000160685221 372268388 /nfs/dbraw/zinc/26/83/88/372268388.db2.gz WVZXQEOMYCYJOE-DQYPLSBCSA-N 2 0 254.377 3.085 20 70 CGIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161111848 372302140 /nfs/dbraw/zinc/30/21/40/372302140.db2.gz QXLNAJPHKDMFMR-MAZHCROVSA-N 2 0 264.388 3.349 20 70 CGIDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472218 372327051 /nfs/dbraw/zinc/32/70/51/372327051.db2.gz VRHLLPYAOAHVTL-MRXNPFEDSA-N 2 0 288.435 3.014 20 70 CGIDRP C[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)C[NH+]1CCCCC1 ZINC000218119516 376184730 /nfs/dbraw/zinc/18/47/30/376184730.db2.gz DOYKTYKAMLQDIE-HNNXBMFYSA-N 2 0 285.435 3.380 20 70 CGIDRP C[C@H]([NH2+]CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000159816422 542151667 /nfs/dbraw/zinc/15/16/67/542151667.db2.gz BTGJRCBNJVUECS-AWEZNQCLSA-N 2 0 278.415 3.078 20 70 CGIDRP C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000161006357 542157229 /nfs/dbraw/zinc/15/72/29/542157229.db2.gz NLCMNHKDHRLWLF-YOEHRIQHSA-N 2 0 272.436 3.036 20 70 CGIDRP COc1ccc([C@@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161354159 533100571 /nfs/dbraw/zinc/10/05/71/533100571.db2.gz PMJDHARPNLZKLB-ZBFHGGJFSA-N 2 0 276.424 3.172 20 70 CGIDRP Cc1cc(C)c([C@@H](C)[N@@H+]2CCC[C@@H](C[NH3+])C2)c(C)c1 ZINC000217510067 376174190 /nfs/dbraw/zinc/17/41/90/376174190.db2.gz QRRSULBZKRZEJD-CVEARBPZSA-N 2 0 260.425 3.344 20 70 CGIDRP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217527229 376175137 /nfs/dbraw/zinc/17/51/37/376175137.db2.gz GLCPLRIIBRRZSK-RYUDHWBXSA-N 2 0 284.350 3.020 20 70 CGIDRP C[C@@H]([NH2+]CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000159816535 542151358 /nfs/dbraw/zinc/15/13/58/542151358.db2.gz BTGJRCBNJVUECS-CQSZACIVSA-N 2 0 278.415 3.078 20 70 CGIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000160700121 392583371 /nfs/dbraw/zinc/58/33/71/392583371.db2.gz RKQRDFQHVOYMEA-CABCVRRESA-N 2 0 296.480 3.026 20 70 CGIDRP C1CCC([NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)CC1 ZINC000159522130 372151777 /nfs/dbraw/zinc/15/17/77/372151777.db2.gz XDNBRNNXRKKQEM-OAHLLOKOSA-N 2 0 282.497 3.269 20 70 CGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252535 372229231 /nfs/dbraw/zinc/22/92/31/372229231.db2.gz KCXKDCUPXHLDGW-CJNGLKHVSA-N 2 0 296.842 3.039 20 70 CGIDRP CC[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](CC)CC ZINC000160296501 372235963 /nfs/dbraw/zinc/23/59/63/372235963.db2.gz LZZHEPKWILGZAA-HNNXBMFYSA-N 2 0 278.440 3.295 20 70 CGIDRP C[C@@H](C[NH2+]Cc1coc2ccccc12)C[NH+]1CCCC1 ZINC000159823234 372184852 /nfs/dbraw/zinc/18/48/52/372184852.db2.gz JWVZLBAANINMLJ-AWEZNQCLSA-N 2 0 272.392 3.254 20 70 CGIDRP Cc1cccc(C)c1OCCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000161231797 372310861 /nfs/dbraw/zinc/31/08/61/372310861.db2.gz HVZPOFDBODEVKB-SJORKVTESA-N 2 0 290.451 3.145 20 70 CGIDRP COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000217666794 376176567 /nfs/dbraw/zinc/17/65/67/376176567.db2.gz CVJPDNMNBFYHAI-RCBQFDQVSA-N 2 0 292.398 3.112 20 70 CGIDRP FC(F)(F)c1ccccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217643635 376177712 /nfs/dbraw/zinc/17/77/12/376177712.db2.gz NVQLGXPKROHVPR-GJZGRUSLSA-N 2 0 298.352 3.422 20 70 CGIDRP Cc1cc(C)cc(CC[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000159515006 542149635 /nfs/dbraw/zinc/14/96/35/542149635.db2.gz JUWOIIGOKRTLAY-MRXNPFEDSA-N 2 0 274.452 3.166 20 70 CGIDRP Cc1ccc(C(=O)CC[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000160065826 372207888 /nfs/dbraw/zinc/20/78/88/372207888.db2.gz PZAYEZQBBOBOAF-UHFFFAOYSA-N 2 0 297.402 3.101 20 70 CGIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033881 372296190 /nfs/dbraw/zinc/29/61/90/372296190.db2.gz VMQUIDDPJVRNQL-AGIUHOORSA-N 2 0 252.427 3.272 20 70 CGIDRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039746 372296985 /nfs/dbraw/zinc/29/69/85/372296985.db2.gz AKTPRSRBKBCNBO-YUELXQCFSA-N 2 0 294.414 3.358 20 70 CGIDRP C[C@H]1C[C@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@@H+]1C ZINC000160475882 372250219 /nfs/dbraw/zinc/25/02/19/372250219.db2.gz OMWSFKPFOYIPRP-LSDHHAIUSA-N 2 0 290.476 3.384 20 70 CGIDRP CC(C)C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161348215 372318129 /nfs/dbraw/zinc/31/81/29/372318129.db2.gz NOGBAABWYMGNAD-MRXNPFEDSA-N 2 0 252.446 3.230 20 70 CGIDRP CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217657995 376176885 /nfs/dbraw/zinc/17/68/85/376176885.db2.gz MGUYTXXAPVGMMA-WBAXXEDZSA-N 2 0 288.435 3.363 20 70 CGIDRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](C2CCCCC2)CC1 ZINC000160061507 372208305 /nfs/dbraw/zinc/20/83/05/372208305.db2.gz IJSOHMBXLALANF-MRXNPFEDSA-N 2 0 295.515 3.103 20 70 CGIDRP CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000160823687 372279213 /nfs/dbraw/zinc/27/92/13/372279213.db2.gz KJCHJVVSQNHVKW-MAUKXSAKSA-N 2 0 290.451 3.295 20 70 CGIDRP CCC[NH+]1CCC([NH2+]CCCCc2nc(C)cs2)CC1 ZINC000160638719 542154846 /nfs/dbraw/zinc/15/48/46/542154846.db2.gz OMNJSEZALSDROX-UHFFFAOYSA-N 2 0 295.496 3.238 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972390 524913232 /nfs/dbraw/zinc/91/32/32/524913232.db2.gz DGQHNIJNJANJDM-DEICHXMPSA-N 2 0 272.436 3.035 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(C)cc(C)c2)[C@H](C)C1 ZINC000159466487 372145695 /nfs/dbraw/zinc/14/56/95/372145695.db2.gz RQPZYGVAYVMFEQ-SJLPKXTDSA-N 2 0 274.452 3.166 20 70 CGIDRP CCCC[C@H](COC)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159621418 372163053 /nfs/dbraw/zinc/16/30/53/372163053.db2.gz PTQYADCDIDAZPE-CYBMUJFWSA-N 2 0 270.461 3.090 20 70 CGIDRP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C[NH+]1CCCCC1 ZINC000160768897 372273242 /nfs/dbraw/zinc/27/32/42/372273242.db2.gz KXRLQCSTGDAFCO-HOTGVXAUSA-N 2 0 250.430 3.127 20 70 CGIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161112085 372302336 /nfs/dbraw/zinc/30/23/36/372302336.db2.gz QXLNAJPHKDMFMR-RCBQFDQVSA-N 2 0 264.388 3.349 20 70 CGIDRP CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659692 376176208 /nfs/dbraw/zinc/17/62/08/376176208.db2.gz CULWOIYAUWPDEH-KSZLIROESA-N 2 0 288.435 3.363 20 70 CGIDRP COc1ccc([C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C2CC2)cc1 ZINC000217566941 376177659 /nfs/dbraw/zinc/17/76/59/376177659.db2.gz LGHUHRRNRCXRIY-KDOFPFPSSA-N 2 0 288.435 3.078 20 70 CGIDRP C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000161006740 542157317 /nfs/dbraw/zinc/15/73/17/542157317.db2.gz NLCMNHKDHRLWLF-RHSMWYFYSA-N 2 0 272.436 3.036 20 70 CGIDRP Cc1cc(C)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000159475455 372147345 /nfs/dbraw/zinc/14/73/45/372147345.db2.gz LJZGFVNQYYRWDB-LZLYRXPVSA-N 2 0 274.452 3.164 20 70 CGIDRP Cc1csc(CCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000160667886 372265969 /nfs/dbraw/zinc/26/59/69/372265969.db2.gz TWJWHUUWELFZTQ-AEGPPILISA-N 2 0 295.496 3.093 20 70 CGIDRP COc1cccc([C@H](CNc2cc[nH+]c(C)c2)[NH+](C)C)c1 ZINC000160915134 372287472 /nfs/dbraw/zinc/28/74/72/372287472.db2.gz WYESYOKWXRXBRH-KRWDZBQOSA-N 2 0 285.391 3.113 20 70 CGIDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564241 376176998 /nfs/dbraw/zinc/17/69/98/376176998.db2.gz LCVZKWSLHUBYLA-WMLDXEAASA-N 2 0 258.409 3.069 20 70 CGIDRP FC(F)(F)c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654492 376177029 /nfs/dbraw/zinc/17/70/29/376177029.db2.gz VJSSOMRHRWVQMD-CABCVRRESA-N 2 0 298.352 3.422 20 70 CGIDRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1 ZINC000160892669 321859653 /nfs/dbraw/zinc/85/96/53/321859653.db2.gz HZLZQKCUUBJJGQ-MRXNPFEDSA-N 2 0 290.451 3.184 20 70 CGIDRP CS[C@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161445378 525902442 /nfs/dbraw/zinc/90/24/42/525902442.db2.gz LVHDGAZKXHHZLL-HNNXBMFYSA-N 2 0 270.486 3.080 20 70 CGIDRP Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c(C)n1 ZINC000160865967 527306655 /nfs/dbraw/zinc/30/66/55/527306655.db2.gz JBZUFTRZJNZQNS-CYBMUJFWSA-N 2 0 298.434 3.006 20 70 CGIDRP CCCCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000160208927 528586951 /nfs/dbraw/zinc/58/69/51/528586951.db2.gz FEEXQZPSZLBEFM-IXDOHACOSA-N 2 0 282.472 3.094 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000161034777 372296897 /nfs/dbraw/zinc/29/68/97/372296897.db2.gz BOXOVJHDLKZTBA-BFYDXBDKSA-N 2 0 258.409 3.136 20 70 CGIDRP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160696935 372269731 /nfs/dbraw/zinc/26/97/31/372269731.db2.gz FFMRFNJRHHYRRR-FGTMMUONSA-N 2 0 296.499 3.028 20 70 CGIDRP CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000160815484 372277951 /nfs/dbraw/zinc/27/79/51/372277951.db2.gz WAXIVDROTWTWQK-WBVHZDCISA-N 2 0 290.451 3.438 20 70 CGIDRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](c2ccc(F)cc2)C2CC2)C1 ZINC000217565680 376176670 /nfs/dbraw/zinc/17/66/70/376176670.db2.gz UXNPEZOWRDWFKQ-GUYCJALGSA-N 2 0 276.399 3.208 20 70 CGIDRP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1(C)CC1 ZINC000160498910 321853188 /nfs/dbraw/zinc/85/31/88/321853188.db2.gz BLZSUZAIAFJVRU-CYBMUJFWSA-N 2 0 250.430 3.172 20 70 CGIDRP CCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3)CC2)CC1 ZINC000161347241 572884335 /nfs/dbraw/zinc/88/43/35/572884335.db2.gz YOKVLCFWCISLRT-UHFFFAOYSA-N 2 0 290.426 3.321 20 70 CGIDRP Cc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000160131684 232243868 /nfs/dbraw/zinc/24/38/68/232243868.db2.gz TVXZAXGVTCQAOF-HZTRTUMWSA-N 2 0 258.409 3.271 20 70 CGIDRP C[NH2+]CCC1CC[NH+](Cc2coc3ccccc23)CC1 ZINC000161112912 372302306 /nfs/dbraw/zinc/30/23/06/372302306.db2.gz PJFUWHLTINMGQV-UHFFFAOYSA-N 2 0 272.392 3.254 20 70 CGIDRP Cc1ccc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1 ZINC000218365418 392995725 /nfs/dbraw/zinc/99/57/25/392995725.db2.gz YRMMAWVBIRMILQ-WMLDXEAASA-N 2 0 283.419 3.116 20 70 CGIDRP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103126 282046401 /nfs/dbraw/zinc/04/64/01/282046401.db2.gz JFIRFARKVNFTQW-KCQAQPDRSA-N 2 0 293.480 3.291 20 70 CGIDRP CC(C)[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000161151716 528649750 /nfs/dbraw/zinc/64/97/50/528649750.db2.gz NGDHCWVXGLAFLH-INIZCTEOSA-N 2 0 252.446 3.373 20 70 CGIDRP C[N@H+](CCC[NH+]1CCCCC1)CCc1cccs1 ZINC000161305375 529887017 /nfs/dbraw/zinc/88/70/17/529887017.db2.gz LOAPZTUZFLJADP-UHFFFAOYSA-N 2 0 266.454 3.098 20 70 CGIDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000217564313 376177236 /nfs/dbraw/zinc/17/72/36/376177236.db2.gz LCVZKWSLHUBYLA-RHSMWYFYSA-N 2 0 258.409 3.069 20 70 CGIDRP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)cc1)c1cncc(F)c1 ZINC000160886661 525438165 /nfs/dbraw/zinc/43/81/65/525438165.db2.gz PVBCJWDOPIDPOT-ZDUSSCGKSA-N 2 0 287.382 3.133 20 70 CGIDRP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1(C)CC1 ZINC000160498802 372251708 /nfs/dbraw/zinc/25/17/08/372251708.db2.gz BLZSUZAIAFJVRU-ZDUSSCGKSA-N 2 0 250.430 3.172 20 70 CGIDRP C[C@H](C[NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccccc1 ZINC000217630859 376177923 /nfs/dbraw/zinc/17/79/23/376177923.db2.gz CCULJWMTQSQBTH-OIISXLGYSA-N 2 0 258.409 3.007 20 70 CGIDRP Cc1csc(CCCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000160718967 542155218 /nfs/dbraw/zinc/15/52/18/542155218.db2.gz FOAVSFOTJHINAK-AWEZNQCLSA-N 2 0 295.496 3.094 20 70 CGIDRP CC[C@]1(C)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161310899 529395660 /nfs/dbraw/zinc/39/56/60/529395660.db2.gz HMKNFICJMHZLQZ-MRXNPFEDSA-N 2 0 252.446 3.375 20 70 CGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccs1 ZINC000161033617 372296366 /nfs/dbraw/zinc/29/63/66/372296366.db2.gz VMQUIDDPJVRNQL-UPJWGTAASA-N 2 0 252.427 3.272 20 70 CGIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000161013048 321861490 /nfs/dbraw/zinc/86/14/90/321861490.db2.gz GKOULCFFAWKDSW-OTWHNJEPSA-N 2 0 286.463 3.470 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@H](C)C1 ZINC000159760459 372175496 /nfs/dbraw/zinc/17/54/96/372175496.db2.gz VKKCHOZODIVYBT-RHSMWYFYSA-N 2 0 278.415 3.078 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000160252663 372229029 /nfs/dbraw/zinc/22/90/29/372229029.db2.gz KCXKDCUPXHLDGW-CZUORRHYSA-N 2 0 296.842 3.039 20 70 CGIDRP C[C@@H]1C[C@@H]1C[NH2+][C@@H](CN)c1ccc2ccccc2c1 ZINC000160684997 372267945 /nfs/dbraw/zinc/26/79/45/372267945.db2.gz WVZXQEOMYCYJOE-JLZZUVOBSA-N 2 0 254.377 3.085 20 70 CGIDRP CCC[NH+]1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000160955647 542157408 /nfs/dbraw/zinc/15/74/08/542157408.db2.gz AMAULUVJJICCGM-MRXNPFEDSA-N 2 0 272.436 3.180 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160972516 524912415 /nfs/dbraw/zinc/91/24/15/524912415.db2.gz DGQHNIJNJANJDM-OAOQPFQOSA-N 2 0 272.436 3.035 20 70 CGIDRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112425 525160012 /nfs/dbraw/zinc/16/00/12/525160012.db2.gz RSAOBSSNCRNSLX-BMFZPTHFSA-N 2 0 276.424 3.219 20 70 CGIDRP Cc1cc(C)cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000161351854 572883880 /nfs/dbraw/zinc/88/38/80/572883880.db2.gz IHWFLOUXODULDU-UHFFFAOYSA-N 2 0 281.403 3.021 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000160326252 372237330 /nfs/dbraw/zinc/23/73/30/372237330.db2.gz IRCIGAFNDRJOBH-NVXWUHKLSA-N 2 0 290.451 3.261 20 70 CGIDRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000160892522 321859559 /nfs/dbraw/zinc/85/95/59/321859559.db2.gz HZLZQKCUUBJJGQ-INIZCTEOSA-N 2 0 290.451 3.184 20 70 CGIDRP C[C@@H](CC1CCOCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159640052 372164424 /nfs/dbraw/zinc/16/44/24/372164424.db2.gz FKZCNYKPYUSJIJ-ZDUSSCGKSA-N 2 0 282.472 3.090 20 70 CGIDRP CC(C)c1ccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000160326556 372239645 /nfs/dbraw/zinc/23/96/45/372239645.db2.gz IRCIGAFNDRJOBH-RDJZCZTQSA-N 2 0 290.451 3.261 20 70 CGIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1 ZINC000161112195 372302310 /nfs/dbraw/zinc/30/23/10/372302310.db2.gz QXLNAJPHKDMFMR-KCXAZCMYSA-N 2 0 264.388 3.349 20 70 CGIDRP CCCCOCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000160259112 528587072 /nfs/dbraw/zinc/58/70/72/528587072.db2.gz LTWAHOUDPWRRMX-HOTGVXAUSA-N 2 0 270.461 3.094 20 70 CGIDRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(CC)CC ZINC000161318037 572883965 /nfs/dbraw/zinc/88/39/65/572883965.db2.gz WSEBVHXSAKEYBW-BHYGNILZSA-N 2 0 296.499 3.290 20 70 CGIDRP c1oc2ccccc2c1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000161112370 188508565 /nfs/dbraw/zinc/50/85/65/188508565.db2.gz RUUGNRQRHRFWAY-QGZVFWFLSA-N 2 0 284.403 3.397 20 70 CGIDRP Cc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000160177069 372222298 /nfs/dbraw/zinc/22/22/98/372222298.db2.gz TVXZAXGVTCQAOF-LNRIEFBSSA-N 2 0 258.409 3.271 20 70 CGIDRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039869 372296062 /nfs/dbraw/zinc/29/60/62/372296062.db2.gz AKTPRSRBKBCNBO-QEJZJMRPSA-N 2 0 294.414 3.358 20 70 CGIDRP C[C@H](C[NH2+]C(C1CC1)C1CC1)N(C)Cc1ccccc1 ZINC000160860165 372283353 /nfs/dbraw/zinc/28/33/53/372283353.db2.gz MVCATLMQDYYJRE-CQSZACIVSA-N 2 0 272.436 3.285 20 70 CGIDRP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161102943 372302252 /nfs/dbraw/zinc/30/22/52/372302252.db2.gz JFIRFARKVNFTQW-VNHYZAJKSA-N 2 0 293.480 3.291 20 70 CGIDRP CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000159452577 346167554 /nfs/dbraw/zinc/16/75/54/346167554.db2.gz OOBAOURJDGCMLB-NUEKZKHPSA-N 2 0 284.513 3.371 20 70 CGIDRP C[C@@H]1C[C@@H]([NH2+]CC2(Sc3ccccc3)CC2)CC[N@@H+]1C ZINC000160476005 372250348 /nfs/dbraw/zinc/25/03/48/372250348.db2.gz OMWSFKPFOYIPRP-CABCVRRESA-N 2 0 290.476 3.384 20 70 CGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CC2)[C@H](C)C1 ZINC000161355606 372317732 /nfs/dbraw/zinc/31/77/32/372317732.db2.gz HPEVQKMFMMOKSM-RHSMWYFYSA-N 2 0 290.426 3.177 20 70 CGIDRP CS[C@@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161445229 392585046 /nfs/dbraw/zinc/58/50/46/392585046.db2.gz LVHDGAZKXHHZLL-OAHLLOKOSA-N 2 0 270.486 3.080 20 70 CGIDRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)Oc1ccccc1F ZINC000160305001 372235213 /nfs/dbraw/zinc/23/52/13/372235213.db2.gz DBPAPNUZBTXZBM-ILXRZTDVSA-N 2 0 294.414 3.055 20 70 CGIDRP Fc1cc(Cl)cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000161138252 372304279 /nfs/dbraw/zinc/30/42/79/372304279.db2.gz KHYBAZMFKJPFDC-INIZCTEOSA-N 2 0 296.817 3.443 20 70 CGIDRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(F)c1 ZINC000217658295 376176277 /nfs/dbraw/zinc/17/62/77/376176277.db2.gz XWSBBBUZGYGNSM-XZJROXQQSA-N 2 0 280.362 3.242 20 70 CGIDRP C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000161006617 542157136 /nfs/dbraw/zinc/15/71/36/542157136.db2.gz NLCMNHKDHRLWLF-WMLDXEAASA-N 2 0 272.436 3.036 20 70 CGIDRP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)C(C)(C)O1 ZINC000160501624 372251238 /nfs/dbraw/zinc/25/12/38/372251238.db2.gz UXXJIMATUKJVHR-MRXNPFEDSA-N 2 0 294.483 3.329 20 70 CGIDRP C[N@H+](Cc1coc2ccccc12)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161110927 372302093 /nfs/dbraw/zinc/30/20/93/372302093.db2.gz HIOKFEGBCBOFJO-YIONKMFJSA-N 2 0 270.376 3.148 20 70 CGIDRP Cc1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1C ZINC000218044665 376183176 /nfs/dbraw/zinc/18/31/76/376183176.db2.gz IOAPMOAVHXIKIV-IRXDYDNUSA-N 2 0 258.409 3.020 20 70 CGIDRP c1ccc([C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161299949 275068054 /nfs/dbraw/zinc/06/80/54/275068054.db2.gz SMXZMWIAQGVZNB-GOSISDBHSA-N 2 0 272.436 3.352 20 70 CGIDRP Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103058 282036032 /nfs/dbraw/zinc/03/60/32/282036032.db2.gz JFIRFARKVNFTQW-IPYPFGDCSA-N 2 0 293.480 3.291 20 70 CGIDRP CCCO[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000161026237 520272396 /nfs/dbraw/zinc/27/23/96/520272396.db2.gz GGUDAFMBVBCIMV-QGZVFWFLSA-N 2 0 282.472 3.144 20 70 CGIDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000160145935 530049090 /nfs/dbraw/zinc/04/90/90/530049090.db2.gz OYONLCRTQCGVIP-UHFFFAOYSA-N 2 0 284.806 3.301 20 70 CGIDRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161112544 525336904 /nfs/dbraw/zinc/33/69/04/525336904.db2.gz RSAOBSSNCRNSLX-BPUTZDHNSA-N 2 0 276.424 3.219 20 70 CGIDRP CC(C)C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000160755699 528590188 /nfs/dbraw/zinc/59/01/88/528590188.db2.gz JPBOISHRPIXFKU-MRXNPFEDSA-N 2 0 252.446 3.373 20 70 CGIDRP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CC[NH+](C)CC2)C1(CC)CC ZINC000161317890 572883951 /nfs/dbraw/zinc/88/39/51/572883951.db2.gz WSEBVHXSAKEYBW-USXIJHARSA-N 2 0 296.499 3.290 20 70 CGIDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1 ZINC000161003235 282258311 /nfs/dbraw/zinc/25/83/11/282258311.db2.gz VXGODTAGULUNAT-HLLBOEOZSA-N 2 0 276.399 3.275 20 70 CGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160029463 346169573 /nfs/dbraw/zinc/16/95/73/346169573.db2.gz LLDBEDBLOOXQFK-LERXQTSPSA-N 2 0 297.240 3.370 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767922 372177364 /nfs/dbraw/zinc/17/73/64/372177364.db2.gz PBYQQYMIKQOYOK-JKIFEVAISA-N 2 0 278.415 3.077 20 70 CGIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCCCC1 ZINC000160761381 372273449 /nfs/dbraw/zinc/27/34/49/372273449.db2.gz WADDDWDJTYIHBJ-QZTJIDSGSA-N 2 0 296.499 3.172 20 70 CGIDRP COc1cccc([C@@H](CNc2cc[nH+]c(C)c2)[NH+](C)C)c1 ZINC000160915223 372287950 /nfs/dbraw/zinc/28/79/50/372287950.db2.gz WYESYOKWXRXBRH-QGZVFWFLSA-N 2 0 285.391 3.113 20 70 CGIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccs1 ZINC000160700204 280186588 /nfs/dbraw/zinc/18/65/88/280186588.db2.gz RKQRDFQHVOYMEA-HUUCEWRRSA-N 2 0 296.480 3.026 20 70 CGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC000159767666 372177655 /nfs/dbraw/zinc/17/76/55/372177655.db2.gz PBYQQYMIKQOYOK-KEYYUXOJSA-N 2 0 278.415 3.077 20 70 CGIDRP c1oc2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000159817770 372183206 /nfs/dbraw/zinc/18/32/06/372183206.db2.gz VFKIBPZBDJPGGF-ZDUSSCGKSA-N 2 0 270.376 3.007 20 70 CGIDRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1F ZINC000161039613 372296232 /nfs/dbraw/zinc/29/62/32/372296232.db2.gz AKTPRSRBKBCNBO-CFVMTHIKSA-N 2 0 294.414 3.358 20 70 CGIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(F)c1 ZINC000161111339 372302019 /nfs/dbraw/zinc/30/20/19/372302019.db2.gz LWCZMMHXEYBBES-MAZHCROVSA-N 2 0 264.388 3.349 20 70 CGIDRP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217513571 296226218 /nfs/dbraw/zinc/22/62/18/296226218.db2.gz IBGDPNFHYIAESK-RYUDHWBXSA-N 2 0 286.341 3.437 20 70 CGIDRP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)C1 ZINC000159403145 372139027 /nfs/dbraw/zinc/13/90/27/372139027.db2.gz NNUCWVZOGIVNEK-RFBLXINOSA-N 2 0 284.513 3.369 20 70 CGIDRP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000217571482 376176108 /nfs/dbraw/zinc/17/61/08/376176108.db2.gz DSHKQURYYKKANV-KDOFPFPSSA-N 2 0 288.435 3.004 20 70 CGIDRP CCC[NH+]1CCC([NH2+]CCCc2cccc(F)c2)CC1 ZINC000159743735 542150672 /nfs/dbraw/zinc/15/06/72/542150672.db2.gz HZKXPYFPFLLFHH-UHFFFAOYSA-N 2 0 278.415 3.222 20 70 CGIDRP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)CCC2 ZINC000161103247 282036875 /nfs/dbraw/zinc/03/68/75/282036875.db2.gz JFIRFARKVNFTQW-YDHLFZDLSA-N 2 0 293.480 3.291 20 70 CGIDRP