smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000216625490 364042691 /nfs/dbraw/zinc/04/26/91/364042691.db2.gz XHBAVBNKOVUULU-CABCVRRESA-N 2 0 273.380 1.502 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000160176382 287027327 /nfs/dbraw/zinc/02/73/27/287027327.db2.gz TYJPKPHKQVGVMJ-KGLIPLIRSA-N 2 0 269.433 1.027 20 70 CDIDRP C[C@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000160938705 342073062 /nfs/dbraw/zinc/07/30/62/342073062.db2.gz SNKCUIXMVRSCEF-HIFRSBDPSA-N 2 0 275.396 1.329 20 70 CDIDRP CCSCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159569775 362344734 /nfs/dbraw/zinc/34/47/34/362344734.db2.gz PZHVSWAJPVEGNN-KBPBESRZSA-N 2 0 299.484 1.320 20 70 CDIDRP C[NH+]1CCC(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000159904043 362379197 /nfs/dbraw/zinc/37/91/97/362379197.db2.gz JQDDGXOXZDIBTO-JKSUJKDBSA-N 3 0 265.445 1.935 20 70 CDIDRP [NH3+]CCCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000216874534 344828981 /nfs/dbraw/zinc/82/89/81/344828981.db2.gz MJSVAMCNCTTYGZ-UHFFFAOYSA-N 2 0 281.444 1.886 20 70 CDIDRP C[NH+](C)C1(CNC(=O)c2csc(CC[NH3+])n2)CCCC1 ZINC000160842835 362512060 /nfs/dbraw/zinc/51/20/60/362512060.db2.gz UJHPIBHEENOOBN-UHFFFAOYSA-N 2 0 296.440 1.249 20 70 CDIDRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160686975 346194425 /nfs/dbraw/zinc/19/44/25/346194425.db2.gz SWJVJMVPSFBPGH-GJZGRUSLSA-N 2 0 294.443 1.206 20 70 CDIDRP C[C@@]1(C(=O)NCC[NH2+]C2CCCCCC2)CC[NH2+]C1 ZINC000159655687 237156634 /nfs/dbraw/zinc/15/66/34/237156634.db2.gz UVCHYHXOIHYHCA-OAHLLOKOSA-N 2 0 267.417 1.415 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000160293654 364623179 /nfs/dbraw/zinc/62/31/79/364623179.db2.gz VXZRRLQPXURUNK-CQSZACIVSA-N 2 0 283.460 1.417 20 70 CDIDRP c1cn(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nn1 ZINC000161451709 526529685 /nfs/dbraw/zinc/52/96/85/526529685.db2.gz HIJLBZLLRXFZFS-UHFFFAOYSA-N 2 0 291.443 1.866 20 70 CDIDRP CC(C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)[NH+](C)C ZINC000159628566 361758041 /nfs/dbraw/zinc/75/80/41/361758041.db2.gz NBDAAIAIWYTWKL-CQSZACIVSA-N 2 0 271.449 1.808 20 70 CDIDRP C[NH+](C)C[C@@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160985246 282127654 /nfs/dbraw/zinc/12/76/54/282127654.db2.gz JCQHGZVLBXARHQ-OAHLLOKOSA-N 2 0 269.433 1.125 20 70 CDIDRP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000159571400 362452144 /nfs/dbraw/zinc/45/21/44/362452144.db2.gz OXXGCYOTPCTOQZ-CABCVRRESA-N 2 0 283.460 1.953 20 70 CDIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160681954 299289604 /nfs/dbraw/zinc/28/96/04/299289604.db2.gz VEHVEKVQMIMVAQ-SOUVJXGZSA-N 2 0 270.417 1.238 20 70 CDIDRP C[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161053705 342353640 /nfs/dbraw/zinc/35/36/40/342353640.db2.gz OCZYPTBXGRZLGB-KGLIPLIRSA-N 2 0 267.417 1.367 20 70 CDIDRP CC[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161265104 523663432 /nfs/dbraw/zinc/66/34/32/523663432.db2.gz KCXCCCARCCCVJH-HUUCEWRRSA-N 2 0 254.418 1.955 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159525059 528898973 /nfs/dbraw/zinc/89/89/73/528898973.db2.gz MWRHETPGDLQJCI-KGLIPLIRSA-N 2 0 296.459 1.593 20 70 CDIDRP C[C@H](CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000159393406 342364735 /nfs/dbraw/zinc/36/47/35/342364735.db2.gz WPSUMAIHNAEHSJ-IIAWOOMASA-N 2 0 279.428 1.224 20 70 CDIDRP C(CN1CC[NH2+]CC1)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000216841469 342439340 /nfs/dbraw/zinc/43/93/40/342439340.db2.gz NQARTVAUMLAJOE-UHFFFAOYSA-N 2 0 263.429 1.306 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159452955 362324403 /nfs/dbraw/zinc/32/44/03/362324403.db2.gz XDFSVYLCGVJOJZ-HUUCEWRRSA-N 2 0 298.475 1.841 20 70 CDIDRP CC(C)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[NH+]1CCCCC1 ZINC000159919770 280167116 /nfs/dbraw/zinc/16/71/16/280167116.db2.gz BEERYHVUJFYBLZ-OWCLPIDISA-N 2 0 293.455 1.850 20 70 CDIDRP CC(C)[C@@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000159543941 528359051 /nfs/dbraw/zinc/35/90/51/528359051.db2.gz AFGVYELXVGHJRK-LBPRGKRZSA-N 2 0 255.406 1.350 20 70 CDIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160159771 362041203 /nfs/dbraw/zinc/04/12/03/362041203.db2.gz XTSAVWRLANCVRA-MRXNPFEDSA-N 2 0 293.459 1.487 20 70 CDIDRP COC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000160295652 285399864 /nfs/dbraw/zinc/39/98/64/285399864.db2.gz DLXBYENFFQFOQR-HNNXBMFYSA-N 2 0 269.433 1.027 20 70 CDIDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000161090555 279334646 /nfs/dbraw/zinc/33/46/46/279334646.db2.gz XYDYKODGINUVCN-STQMWFEESA-N 2 0 255.406 1.173 20 70 CDIDRP c1cn(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000161359532 539117523 /nfs/dbraw/zinc/11/75/23/539117523.db2.gz DMCKIPUPQNEILK-UHFFFAOYSA-N 2 0 257.341 1.100 20 70 CDIDRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217808192 367257988 /nfs/dbraw/zinc/25/79/88/367257988.db2.gz KUKQOHTWWAVFNX-JYJNAYRXSA-N 2 0 287.407 1.299 20 70 CDIDRP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000217953818 140165199 /nfs/dbraw/zinc/16/51/99/140165199.db2.gz NATBUFQOPXXKJB-HZPDHXFCSA-N 2 0 287.407 1.519 20 70 CDIDRP C[NH+](C)C1(CNC(=O)[C@@](C)([NH3+])c2ccccc2)CCCC1 ZINC000160838770 362505595 /nfs/dbraw/zinc/50/55/95/362505595.db2.gz NQOAKMZAZJZUMY-INIZCTEOSA-N 2 0 289.423 1.851 20 70 CDIDRP COCC[C@@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160746092 360918338 /nfs/dbraw/zinc/91/83/38/360918338.db2.gz KZTGATWRQMAYDZ-ZIAGYGMSSA-N 2 0 258.406 1.238 20 70 CDIDRP CC[C@H](C)[N@H+](C)CCNCc1cnc(N(C)C)n1C ZINC000217744930 391759068 /nfs/dbraw/zinc/75/90/68/391759068.db2.gz QBRFEOVHIGMQPH-LBPRGKRZSA-N 2 0 267.421 1.306 20 70 CDIDRP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806382 295204256 /nfs/dbraw/zinc/20/42/56/295204256.db2.gz ZZFVXBVDXLWGME-OLZOCXBDSA-N 2 0 265.401 1.391 20 70 CDIDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348710 519862435 /nfs/dbraw/zinc/86/24/35/519862435.db2.gz WJXMLFIFKUMRHM-FHERZECASA-N 2 0 281.444 1.755 20 70 CDIDRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC)CC1 ZINC000159846701 361878455 /nfs/dbraw/zinc/87/84/55/361878455.db2.gz YLMGKYNGHKAZKR-HNNXBMFYSA-N 2 0 296.459 1.598 20 70 CDIDRP COc1ccccc1CN1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000160974903 362580472 /nfs/dbraw/zinc/58/04/72/362580472.db2.gz YESFFCZGCPGIJF-KGLIPLIRSA-N 2 0 264.369 1.633 20 70 CDIDRP CC(=O)NC1CCC([NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000161316300 519645166 /nfs/dbraw/zinc/64/51/66/519645166.db2.gz LNGGBHFURQUFSO-JEYLPNPQSA-N 2 0 281.444 1.755 20 70 CDIDRP C[N@@H+]1CCC[C@H]1CC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000161409172 358800931 /nfs/dbraw/zinc/80/09/31/358800931.db2.gz QQRAKARQVHQXSU-KBPBESRZSA-N 2 0 252.402 1.972 20 70 CDIDRP COC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000160737395 285399250 /nfs/dbraw/zinc/39/92/50/285399250.db2.gz MWUPQZQXZLCYLR-CABCVRRESA-N 2 0 272.433 1.484 20 70 CDIDRP C[C@@H](C(=O)NC1CCCCC1)N1CCC[C@@H](C[NH3+])C1 ZINC000217559294 140163235 /nfs/dbraw/zinc/16/32/35/140163235.db2.gz IBLWRYJKKJTRAR-STQMWFEESA-N 2 0 267.417 1.495 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161303203 482872589 /nfs/dbraw/zinc/87/25/89/482872589.db2.gz PGNSHCJMBMTPDN-UHFFFAOYSA-N 2 0 290.411 1.495 20 70 CDIDRP CC(C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000159500873 345179070 /nfs/dbraw/zinc/17/90/70/345179070.db2.gz UZJLBIBFPXVATP-OAHLLOKOSA-N 2 0 290.411 1.316 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000161157612 361900166 /nfs/dbraw/zinc/90/01/66/361900166.db2.gz QLXZCPXNEACCPE-LBPRGKRZSA-N 2 0 255.406 1.210 20 70 CDIDRP CC[C@H](COC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160273468 362236237 /nfs/dbraw/zinc/23/62/37/362236237.db2.gz OONQHLBYTALTLL-CYBMUJFWSA-N 2 0 257.422 1.027 20 70 CDIDRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc2c1OCO2 ZINC000159982338 362385332 /nfs/dbraw/zinc/38/53/32/362385332.db2.gz MYKNTEXIDFPZEK-LLVKDONJSA-N 2 0 292.379 1.983 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217393143 140163251 /nfs/dbraw/zinc/16/32/51/140163251.db2.gz QFTOMEFQFZUCEP-STQMWFEESA-N 2 0 267.417 1.495 20 70 CDIDRP CN(Cc1ccc2c(c1)OCO2)C[C@@H]1CCC[NH2+]C1 ZINC000216799953 140163980 /nfs/dbraw/zinc/16/39/80/140163980.db2.gz NXWDLNZDFKNLKE-CYBMUJFWSA-N 2 0 262.353 1.847 20 70 CDIDRP CNC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161051607 529901174 /nfs/dbraw/zinc/90/11/74/529901174.db2.gz KOVHENNCHWQUTF-CQSZACIVSA-N 2 0 267.417 1.320 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160302714 364331966 /nfs/dbraw/zinc/33/19/66/364331966.db2.gz LNZRLYPTZVDJNS-HZPDHXFCSA-N 2 0 287.407 1.458 20 70 CDIDRP [NH3+]Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217804932 367258307 /nfs/dbraw/zinc/25/83/07/367258307.db2.gz JTMJAEMSBATRFM-CABCVRRESA-N 2 0 273.380 1.502 20 70 CDIDRP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000218159733 277328362 /nfs/dbraw/zinc/32/83/62/277328362.db2.gz BOHVQJHHVDNWNJ-OFQRWUPVSA-N 2 0 295.471 1.952 20 70 CDIDRP C[NH+](C)C[C@H]1CN(CCC[NH+]2CCCCC2)CCO1 ZINC000160985307 282140146 /nfs/dbraw/zinc/14/01/46/282140146.db2.gz JCQHGZVLBXARHQ-HNNXBMFYSA-N 2 0 269.433 1.125 20 70 CDIDRP CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000217363503 279020050 /nfs/dbraw/zinc/02/00/50/279020050.db2.gz PHIOQTZDLXJXRF-HZSPNIEDSA-N 2 0 267.417 1.365 20 70 CDIDRP O=C(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000160701718 526337366 /nfs/dbraw/zinc/33/73/66/526337366.db2.gz MHJMPWBGKIDFGH-MJBXVCDLSA-N 2 0 265.401 1.023 20 70 CDIDRP C[C@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161053905 342353500 /nfs/dbraw/zinc/35/35/00/342353500.db2.gz OCZYPTBXGRZLGB-ZIAGYGMSSA-N 2 0 267.417 1.367 20 70 CDIDRP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636268 538500096 /nfs/dbraw/zinc/50/00/96/538500096.db2.gz QAXLTAGRHDNYQR-IMJJTQAJSA-N 2 0 265.445 1.933 20 70 CDIDRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160275243 361239226 /nfs/dbraw/zinc/23/92/26/361239226.db2.gz LPAPHPJHTSJGKY-LLVKDONJSA-N 2 0 287.363 1.668 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209986 363758213 /nfs/dbraw/zinc/75/82/13/363758213.db2.gz ZKXXBQQVKRXHSM-BFYDXBDKSA-N 2 0 296.503 1.331 20 70 CDIDRP CC(C)([NH3+])CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160072587 364301761 /nfs/dbraw/zinc/30/17/61/364301761.db2.gz RHTRJVDWHFNJCF-OAHLLOKOSA-N 2 0 289.423 1.895 20 70 CDIDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1coc2ccccc12 ZINC000161112500 482861304 /nfs/dbraw/zinc/86/13/04/482861304.db2.gz HYULEJPNTURKBI-UHFFFAOYSA-N 2 0 273.380 1.770 20 70 CDIDRP CC[NH2+]CC1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000161161276 361901788 /nfs/dbraw/zinc/90/17/88/361901788.db2.gz VRYPVCNSZPFXAF-UHFFFAOYSA-N 2 0 269.433 1.600 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000161274410 521424481 /nfs/dbraw/zinc/42/44/81/521424481.db2.gz LKJNOYZUHYERQJ-UHFFFAOYSA-N 2 0 291.439 2.000 20 70 CDIDRP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000161228836 367699608 /nfs/dbraw/zinc/69/96/08/367699608.db2.gz ZALPEMQUAZAXMU-OAHLLOKOSA-N 2 0 275.396 1.572 20 70 CDIDRP C(C[N@@H+]1CCC[C@@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161285916 391586669 /nfs/dbraw/zinc/58/66/69/391586669.db2.gz MMNZWLGSDKTBQE-QGZVFWFLSA-N 2 0 295.471 1.659 20 70 CDIDRP C[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[N@H+](C)C1CC1 ZINC000217557268 140162630 /nfs/dbraw/zinc/16/26/30/140162630.db2.gz QGIRUMSVNSNRQT-DMRZNYOFSA-N 2 0 265.445 1.979 20 70 CDIDRP C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217550123 140163457 /nfs/dbraw/zinc/16/34/57/140163457.db2.gz ZNDAGBGZKZJQSQ-KBPBESRZSA-N 2 0 287.407 1.635 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000159624376 361756424 /nfs/dbraw/zinc/75/64/24/361756424.db2.gz OOYGMZXJSPVMSU-UHFFFAOYSA-N 2 0 296.459 1.456 20 70 CDIDRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000160253289 277581603 /nfs/dbraw/zinc/58/16/03/277581603.db2.gz YZYCMMOEVIYKSI-CYBMUJFWSA-N 2 0 253.390 1.057 20 70 CDIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160737952 280186562 /nfs/dbraw/zinc/18/65/62/280186562.db2.gz WGZPWJBPIMHFOQ-ARFHVFGLSA-N 2 0 284.444 1.628 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962241 361975511 /nfs/dbraw/zinc/97/55/11/361975511.db2.gz FQSKDEXBUGBYNL-AWEZNQCLSA-N 2 0 298.475 1.700 20 70 CDIDRP CC[C@@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000161286823 362402386 /nfs/dbraw/zinc/40/23/86/362402386.db2.gz BIZHANVCFZOPIV-ZIAGYGMSSA-N 2 0 299.459 1.055 20 70 CDIDRP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000160745759 362487432 /nfs/dbraw/zinc/48/74/32/362487432.db2.gz KQFVJKTXLFWDFS-LJISPDSOSA-N 2 0 279.428 1.365 20 70 CDIDRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)C1CC1 ZINC000160717089 289727252 /nfs/dbraw/zinc/72/72/52/289727252.db2.gz AKGGLSJWBKBCHV-OCCSQVGLSA-N 2 0 267.417 1.413 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000159624678 361756977 /nfs/dbraw/zinc/75/69/77/361756977.db2.gz PMJSGSMFZFZUJK-HNNXBMFYSA-N 2 0 296.459 1.456 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cncs1 ZINC000160198442 362052179 /nfs/dbraw/zinc/05/21/79/362052179.db2.gz XRAJWOKCYWBXHL-LBPRGKRZSA-N 2 0 282.457 1.820 20 70 CDIDRP C(CN1CC[NH+](CC2CC2)CC1)C[NH+]1CCCCC1 ZINC000161287435 518386466 /nfs/dbraw/zinc/38/64/66/518386466.db2.gz KRYNAEVBLRCGNG-UHFFFAOYSA-N 2 0 265.445 1.890 20 70 CDIDRP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000159991177 363557971 /nfs/dbraw/zinc/55/79/71/363557971.db2.gz RTHGFFSHGFMWOT-UHFFFAOYSA-N 2 0 299.459 1.143 20 70 CDIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160704277 358769774 /nfs/dbraw/zinc/76/97/74/358769774.db2.gz DZGGWEZNOGSKJD-XHSDSOJGSA-N 3 0 283.460 1.153 20 70 CDIDRP CC(=O)NC1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000161316443 519645463 /nfs/dbraw/zinc/64/54/63/519645463.db2.gz LNGGBHFURQUFSO-IUDNXUCKSA-N 2 0 281.444 1.755 20 70 CDIDRP [NH3+]C[C@H]1CCCN1C(=O)c1cccc(-n2ccnc2)c1 ZINC000160360700 361804185 /nfs/dbraw/zinc/80/41/85/361804185.db2.gz ATPVFNAJPKEPPJ-CQSZACIVSA-N 2 0 270.336 1.436 20 70 CDIDRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000160669059 539040449 /nfs/dbraw/zinc/04/04/49/539040449.db2.gz AYQKVPCYIIIQPE-OWCLPIDISA-N 3 0 283.460 1.296 20 70 CDIDRP C[C@]1(C(=O)NCC[NH2+]C2CCCCCC2)CC[NH2+]C1 ZINC000159655529 237152987 /nfs/dbraw/zinc/15/29/87/237152987.db2.gz UVCHYHXOIHYHCA-HNNXBMFYSA-N 2 0 267.417 1.415 20 70 CDIDRP COCC[C@H](C)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160745977 360920988 /nfs/dbraw/zinc/92/09/88/360920988.db2.gz KZTGATWRQMAYDZ-UONOGXRCSA-N 2 0 258.406 1.238 20 70 CDIDRP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217808022 367258596 /nfs/dbraw/zinc/25/85/96/367258596.db2.gz KUKQOHTWWAVFNX-XHSDSOJGSA-N 2 0 287.407 1.299 20 70 CDIDRP CC[NH+]1CCC(N(C)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000161350692 521562062 /nfs/dbraw/zinc/56/20/62/521562062.db2.gz CDGNQMAXACEBNC-CQSZACIVSA-N 2 0 253.434 1.887 20 70 CDIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000160668394 280186435 /nfs/dbraw/zinc/18/64/35/280186435.db2.gz QDFKYJLHZOMTIF-HZPDHXFCSA-N 2 0 294.443 1.698 20 70 CDIDRP CC[C@](C)(O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000160765879 529374102 /nfs/dbraw/zinc/37/41/02/529374102.db2.gz LVYCYFKOSAZRQP-ULQDDVLXSA-N 2 0 297.487 1.638 20 70 CDIDRP COC(=O)CC[N@H+](CCn1ccnc1)CC(C)C ZINC000159784984 364265430 /nfs/dbraw/zinc/26/54/30/364265430.db2.gz ZSOQRWMAFXGSHK-UHFFFAOYSA-N 2 0 253.346 1.404 20 70 CDIDRP CC[C@](C)(O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845762 281290349 /nfs/dbraw/zinc/29/03/49/281290349.db2.gz AJTMZLIIHXUBDL-UXLLHSPISA-N 2 0 298.471 1.969 20 70 CDIDRP COCC[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160268475 292781946 /nfs/dbraw/zinc/78/19/46/292781946.db2.gz QZQZBRUYLHTQTA-CYBMUJFWSA-N 2 0 257.422 1.027 20 70 CDIDRP Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CC2 ZINC000160564810 539116026 /nfs/dbraw/zinc/11/60/26/539116026.db2.gz FBDQPKFTFJECKR-SMDDNHRTSA-N 2 0 277.416 1.221 20 70 CDIDRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000161164085 358789539 /nfs/dbraw/zinc/78/95/39/358789539.db2.gz ZDYKPBKETLWLNN-KFWWJZLASA-N 2 0 253.434 1.933 20 70 CDIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066249 288076898 /nfs/dbraw/zinc/07/68/98/288076898.db2.gz KYKAZMVWDZQPJH-KBXIAJHMSA-N 2 0 253.434 1.789 20 70 CDIDRP CC[N@H+](CCC[NH+]1CCCCC1)CCC(=O)OC ZINC000160739277 528450660 /nfs/dbraw/zinc/45/06/60/528450660.db2.gz SFTDLFYXADUKIG-UHFFFAOYSA-N 2 0 256.390 1.747 20 70 CDIDRP C[C@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000161042413 342073021 /nfs/dbraw/zinc/07/30/21/342073021.db2.gz XQJOFQOIRDQOES-CYBMUJFWSA-N 2 0 267.417 1.367 20 70 CDIDRP CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](C)C ZINC000160346766 363821038 /nfs/dbraw/zinc/82/10/38/363821038.db2.gz HLAPIIZNXYNDOX-SQWLQELKSA-N 2 0 283.460 1.953 20 70 CDIDRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161204382 482869234 /nfs/dbraw/zinc/86/92/34/482869234.db2.gz JWBXHQDEWZQRQF-HUUCEWRRSA-N 2 0 275.396 1.677 20 70 CDIDRP COC(=O)[C@@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161280581 523503016 /nfs/dbraw/zinc/50/30/16/523503016.db2.gz WVPJFGLUEDVRSM-ZDUSSCGKSA-N 2 0 256.390 1.603 20 70 CDIDRP CC[C@](C)(O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000160846019 358774213 /nfs/dbraw/zinc/77/42/13/358774213.db2.gz AJTMZLIIHXUBDL-INMHGKMJSA-N 2 0 298.471 1.969 20 70 CDIDRP COCCOCCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159903751 237161360 /nfs/dbraw/zinc/16/13/60/237161360.db2.gz OXZAKOFFHPQWAV-LSDHHAIUSA-N 2 0 270.417 1.646 20 70 CDIDRP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000216650964 140163560 /nfs/dbraw/zinc/16/35/60/140163560.db2.gz LTOKVHWJWJIMRU-MJBXVCDLSA-N 2 0 267.417 1.447 20 70 CDIDRP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000217953904 140164858 /nfs/dbraw/zinc/16/48/58/140164858.db2.gz NATBUFQOPXXKJB-CVEARBPZSA-N 2 0 287.407 1.519 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161204097 482869988 /nfs/dbraw/zinc/86/99/88/482869988.db2.gz JWBXHQDEWZQRQF-GJZGRUSLSA-N 2 0 275.396 1.677 20 70 CDIDRP C[NH2+][C@H]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000160626812 522501811 /nfs/dbraw/zinc/50/18/11/522501811.db2.gz SRQCUUGSUXQFPV-BBRMVZONSA-N 2 0 287.407 1.254 20 70 CDIDRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000159812347 361870182 /nfs/dbraw/zinc/87/01/82/361870182.db2.gz SXULHQLCYVODRU-OAHLLOKOSA-N 2 0 298.475 1.700 20 70 CDIDRP c1cc(N2CCN(CC[NH+]3CCCCC3)CC2)cc[nH+]1 ZINC000161362599 539117654 /nfs/dbraw/zinc/11/76/54/539117654.db2.gz QFUYUMZOIHIMOX-UHFFFAOYSA-N 2 0 274.412 1.690 20 70 CDIDRP C[C@@H](O)C[N@H+](C)Cc1cccc(C[NH+](C)C[C@H](C)O)c1 ZINC000159495133 361719088 /nfs/dbraw/zinc/71/90/88/361719088.db2.gz MXFDRIFDLLGQOT-OKILXGFUSA-N 2 0 280.412 1.312 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000159576541 279284620 /nfs/dbraw/zinc/28/46/20/279284620.db2.gz VEKCIOXXZNMRJS-UHFFFAOYSA-N 2 0 294.443 1.350 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161204294 482869318 /nfs/dbraw/zinc/86/93/18/482869318.db2.gz JWBXHQDEWZQRQF-LSDHHAIUSA-N 2 0 275.396 1.677 20 70 CDIDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000218298335 413045463 /nfs/dbraw/zinc/04/54/63/413045463.db2.gz QQELWYUNYAOKOO-GHMZBOCLSA-N 2 0 252.358 1.572 20 70 CDIDRP C[C@H](C(=O)Nc1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217553976 140162859 /nfs/dbraw/zinc/16/28/59/140162859.db2.gz OMVGBAYXKUWMKG-OLZOCXBDSA-N 2 0 261.369 1.684 20 70 CDIDRP CN(CC[NH+](C)C)c1ccncc1Br ZINC000159963200 362381673 /nfs/dbraw/zinc/38/16/73/362381673.db2.gz DERIYTKWOKJBIK-UHFFFAOYSA-N 2 0 258.163 1.842 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161283793 362402501 /nfs/dbraw/zinc/40/25/01/362402501.db2.gz PCVQGDDGZDDHFF-ZDUSSCGKSA-N 2 0 281.444 1.885 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCOCC1 ZINC000160293547 364624547 /nfs/dbraw/zinc/62/45/47/364624547.db2.gz VXZRRLQPXURUNK-AWEZNQCLSA-N 2 0 283.460 1.417 20 70 CDIDRP NC(=O)C1([NH2+]CCC[NH+]2CCCCC2)CCCCC1 ZINC000161438493 377226904 /nfs/dbraw/zinc/22/69/04/377226904.db2.gz MFWDJVYBVPQOLV-UHFFFAOYSA-N 2 0 267.417 1.640 20 70 CDIDRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000218298439 414099752 /nfs/dbraw/zinc/09/97/52/414099752.db2.gz QQELWYUNYAOKOO-WDEREUQCSA-N 2 0 252.358 1.572 20 70 CDIDRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000161181108 276157722 /nfs/dbraw/zinc/15/77/22/276157722.db2.gz GFEHCAGRMJFXMR-RRFJBIMHSA-N 2 0 253.434 1.791 20 70 CDIDRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161425142 482877983 /nfs/dbraw/zinc/87/79/83/482877983.db2.gz WDKYAOAOYYGTDZ-GJZGRUSLSA-N 2 0 275.396 1.748 20 70 CDIDRP Cc1nn(C)cc1C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000161186882 366019517 /nfs/dbraw/zinc/01/95/17/366019517.db2.gz VTAVTLGXFNUJSK-ZIAGYGMSSA-N 2 0 294.443 1.708 20 70 CDIDRP C[C@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012660 291147749 /nfs/dbraw/zinc/14/77/49/291147749.db2.gz UNIWPVISNJPTHU-YJNKXOJESA-N 2 0 253.434 1.932 20 70 CDIDRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190415 363740325 /nfs/dbraw/zinc/74/03/25/363740325.db2.gz WELCTEBFFJZMLU-WBVHZDCISA-N 3 0 296.503 1.332 20 70 CDIDRP COC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000160295797 364639326 /nfs/dbraw/zinc/63/93/26/364639326.db2.gz DLXBYENFFQFOQR-OAHLLOKOSA-N 2 0 269.433 1.027 20 70 CDIDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159576921 276372644 /nfs/dbraw/zinc/37/26/44/276372644.db2.gz XYDYKODGINUVCN-CHWSQXEVSA-N 2 0 255.406 1.173 20 70 CDIDRP NC(=O)CC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160850687 534319226 /nfs/dbraw/zinc/31/92/26/534319226.db2.gz RMVOKLHVMTZBTQ-OAHLLOKOSA-N 2 0 281.444 1.840 20 70 CDIDRP CC[C@@](C)(O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765751 529509319 /nfs/dbraw/zinc/50/93/19/529509319.db2.gz LVYCYFKOSAZRQP-IXDOHACOSA-N 2 0 297.487 1.638 20 70 CDIDRP CSC[C@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160416585 346128993 /nfs/dbraw/zinc/12/89/93/346128993.db2.gz DAPHVPPALSTLNP-AAEUAGOBSA-N 2 0 260.447 1.420 20 70 CDIDRP C[N@H+](CC(=O)NCC[NH+]1CCCCCC1)[C@@H]1CCSC1 ZINC000159868051 363386308 /nfs/dbraw/zinc/38/63/08/363386308.db2.gz NRLDVFGBKJQGDF-CQSZACIVSA-N 2 0 299.484 1.416 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209715 363757834 /nfs/dbraw/zinc/75/78/34/363757834.db2.gz ZKXXBQQVKRXHSM-INMHGKMJSA-N 2 0 296.503 1.331 20 70 CDIDRP C[NH+]1CCN(CCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000218321911 367260978 /nfs/dbraw/zinc/26/09/78/367260978.db2.gz OPBXDTSKFWYAOA-UHFFFAOYSA-N 2 0 286.423 1.895 20 70 CDIDRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[NH3+])cc1OC ZINC000218298391 414101084 /nfs/dbraw/zinc/10/10/84/414101084.db2.gz QQELWYUNYAOKOO-QWRGUYRKSA-N 2 0 252.358 1.572 20 70 CDIDRP NC(=O)CC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000160850848 534317383 /nfs/dbraw/zinc/31/73/83/534317383.db2.gz RMVOKLHVMTZBTQ-HNNXBMFYSA-N 2 0 281.444 1.840 20 70 CDIDRP CCC[NH+]1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000160150545 539115449 /nfs/dbraw/zinc/11/54/49/539115449.db2.gz MTDAMBDBVAIFAL-UHFFFAOYSA-N 3 0 296.503 1.476 20 70 CDIDRP C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000160218769 364319850 /nfs/dbraw/zinc/31/98/50/364319850.db2.gz HAHZLZVURYPKGB-YUTCNCBUSA-N 2 0 261.369 1.272 20 70 CDIDRP CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000160830731 391573315 /nfs/dbraw/zinc/57/33/15/391573315.db2.gz CNXUIQLIKXMPCC-CBBWQLFWSA-N 2 0 254.418 1.977 20 70 CDIDRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160289684 391657905 /nfs/dbraw/zinc/65/79/05/391657905.db2.gz KVZDMONUKKDIEH-KGLIPLIRSA-N 2 0 261.369 1.239 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159452805 279431063 /nfs/dbraw/zinc/43/10/63/279431063.db2.gz XDFSVYLCGVJOJZ-GJZGRUSLSA-N 2 0 298.475 1.841 20 70 CDIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000160768182 525335049 /nfs/dbraw/zinc/33/50/49/525335049.db2.gz ZHJZHIAEYPYLNB-GOEBONIOSA-N 2 0 284.444 1.628 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000161161143 534930605 /nfs/dbraw/zinc/93/06/05/534930605.db2.gz XLVJKDJOCHDYMQ-UHFFFAOYSA-N 2 0 281.444 1.742 20 70 CDIDRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160686734 346194409 /nfs/dbraw/zinc/19/44/09/346194409.db2.gz SWJVJMVPSFBPGH-CABCVRRESA-N 2 0 294.443 1.206 20 70 CDIDRP CC[NH+](CC)CCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159507528 361725478 /nfs/dbraw/zinc/72/54/78/361725478.db2.gz NXCAORDNVGWRJV-UHFFFAOYSA-N 2 0 270.421 1.065 20 70 CDIDRP C[C@@H]([NH2+]CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000159675216 364249817 /nfs/dbraw/zinc/24/98/17/364249817.db2.gz QTTCTWSDWPBVCD-GFCCVEGCSA-N 2 0 252.358 1.270 20 70 CDIDRP CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217546946 140163536 /nfs/dbraw/zinc/16/35/36/140163536.db2.gz IJTGVIWPFFTSHT-UONOGXRCSA-N 2 0 267.417 1.448 20 70 CDIDRP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836565 282262269 /nfs/dbraw/zinc/26/22/69/282262269.db2.gz IMDBMIKXYLZSES-HIFRSBDPSA-N 2 0 294.443 1.349 20 70 CDIDRP CN(CCC[NH+]1CCCCC1)CC[NH+]1CCCC1 ZINC000161086863 529887274 /nfs/dbraw/zinc/88/72/74/529887274.db2.gz FPFWIMKZQMWIBO-UHFFFAOYSA-N 2 0 253.434 1.890 20 70 CDIDRP NC(=O)[C@@H]1CCCN1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402455 361687836 /nfs/dbraw/zinc/68/78/36/361687836.db2.gz QBXCTSXVSOXXKH-INIZCTEOSA-N 2 0 293.455 1.981 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000161158235 521423969 /nfs/dbraw/zinc/42/39/69/521423969.db2.gz OJLDYPJCKLTXGR-UHFFFAOYSA-N 2 0 292.427 1.443 20 70 CDIDRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000159566666 361738316 /nfs/dbraw/zinc/73/83/16/361738316.db2.gz OSOKPQCNDZYKKN-CABCVRRESA-N 2 0 283.460 1.667 20 70 CDIDRP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808781 140165078 /nfs/dbraw/zinc/16/50/78/140165078.db2.gz BXDRLWHFVWWDDY-OAGGEKHMSA-N 2 0 287.407 1.820 20 70 CDIDRP [NH3+]Cc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)o1 ZINC000159670849 482740683 /nfs/dbraw/zinc/74/06/83/482740683.db2.gz JHQFQVDYOVCPTM-UHFFFAOYSA-N 2 0 279.384 1.781 20 70 CDIDRP COCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161262518 523853710 /nfs/dbraw/zinc/85/37/10/523853710.db2.gz NBNBQZJQZIGMED-UHFFFAOYSA-N 2 0 269.433 1.126 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1 ZINC000159823380 361875279 /nfs/dbraw/zinc/87/52/79/361875279.db2.gz PRQMQHANHKFPKS-CYBMUJFWSA-N 2 0 282.432 1.206 20 70 CDIDRP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159516007 361725418 /nfs/dbraw/zinc/72/54/18/361725418.db2.gz DRYIWAIMMWLZCL-UHFFFAOYSA-N 2 0 284.448 1.456 20 70 CDIDRP C[C@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217550253 140163564 /nfs/dbraw/zinc/16/35/64/140163564.db2.gz BRWCZXRAVUPMNM-CABCVRRESA-N 2 0 289.423 1.877 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217393062 617825052 /nfs/dbraw/zinc/82/50/52/617825052.db2.gz QFTOMEFQFZUCEP-OLZOCXBDSA-N 2 0 267.417 1.495 20 70 CDIDRP C[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[NH+]1CCCC1 ZINC000161072636 342073042 /nfs/dbraw/zinc/07/30/42/342073042.db2.gz JTVVEHLWRHYTGN-CJNGLKHVSA-N 2 0 287.407 1.474 20 70 CDIDRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[NH+]1CCCC1 ZINC000161072247 342073077 /nfs/dbraw/zinc/07/30/77/342073077.db2.gz JTVVEHLWRHYTGN-XJKSGUPXSA-N 2 0 287.407 1.474 20 70 CDIDRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159617525 237155438 /nfs/dbraw/zinc/15/54/38/237155438.db2.gz ALTFVUADSVCGOG-MJBXVCDLSA-N 2 0 259.353 1.039 20 70 CDIDRP C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@@H](C[NH3+])C1 ZINC000217554060 140163675 /nfs/dbraw/zinc/16/36/75/140163675.db2.gz OMVGBAYXKUWMKG-STQMWFEESA-N 2 0 261.369 1.684 20 70 CDIDRP CCn1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cn1 ZINC000160232566 362073617 /nfs/dbraw/zinc/07/36/17/362073617.db2.gz WVYUYANGDAJIAT-CQSZACIVSA-N 2 0 293.459 1.580 20 70 CDIDRP CCC([NH3+])(CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000160440320 377063709 /nfs/dbraw/zinc/06/37/09/377063709.db2.gz RJPXAIWAOXRTRX-ZDUSSCGKSA-N 2 0 269.433 1.885 20 70 CDIDRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000160424632 391466467 /nfs/dbraw/zinc/46/64/67/391466467.db2.gz BVRQSZNGXHFWTB-VTPLQMEGSA-N 2 0 277.416 1.220 20 70 CDIDRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159805151 361865021 /nfs/dbraw/zinc/86/50/21/361865021.db2.gz URFVBPISMNWERV-CQSZACIVSA-N 2 0 284.448 1.454 20 70 CDIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160159647 362040977 /nfs/dbraw/zinc/04/09/77/362040977.db2.gz XTSAVWRLANCVRA-INIZCTEOSA-N 2 0 293.459 1.487 20 70 CDIDRP COCCOC[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161300003 533114205 /nfs/dbraw/zinc/11/42/05/533114205.db2.gz FXEVHHHKTRZZGC-MRXNPFEDSA-N 2 0 284.444 1.847 20 70 CDIDRP COCCOC[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161300086 533132738 /nfs/dbraw/zinc/13/27/38/533132738.db2.gz FXEVHHHKTRZZGC-INIZCTEOSA-N 2 0 284.444 1.847 20 70 CDIDRP C[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161204193 482869296 /nfs/dbraw/zinc/86/92/96/482869296.db2.gz JWBXHQDEWZQRQF-CABCVRRESA-N 2 0 275.396 1.677 20 70 CDIDRP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](CC2CC2)CC1 ZINC000161435232 523823531 /nfs/dbraw/zinc/82/35/31/523823531.db2.gz ZXUICRVSFPZWFZ-OAHLLOKOSA-N 2 0 251.418 1.498 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000161277355 362382765 /nfs/dbraw/zinc/38/27/65/362382765.db2.gz XSLCPAWXWBWYTH-AWEZNQCLSA-N 2 0 283.460 1.988 20 70 CDIDRP CC[N@H+](CCNC(=O)N1CCC[NH+](CC)CC1)C1CC1 ZINC000159798108 390941556 /nfs/dbraw/zinc/94/15/56/390941556.db2.gz ZXEBHTDZMGOKTL-UHFFFAOYSA-N 2 0 282.432 1.208 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000159885600 539114973 /nfs/dbraw/zinc/11/49/73/539114973.db2.gz MKGKLDLMFYWUJO-OAHLLOKOSA-N 2 0 294.443 1.208 20 70 CDIDRP C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000160160547 362041265 /nfs/dbraw/zinc/04/12/65/362041265.db2.gz SLWZIHLHFUYWNJ-GJZGRUSLSA-N 3 0 282.476 1.085 20 70 CDIDRP COC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C ZINC000160253215 362083986 /nfs/dbraw/zinc/08/39/86/362083986.db2.gz QGSQRWBKEVJYHY-HNNXBMFYSA-N 2 0 271.449 1.273 20 70 CDIDRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000160668932 291146105 /nfs/dbraw/zinc/14/61/05/291146105.db2.gz AYQKVPCYIIIQPE-ARFHVFGLSA-N 3 0 283.460 1.296 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160209842 363757966 /nfs/dbraw/zinc/75/79/66/363757966.db2.gz ZKXXBQQVKRXHSM-VYDXJSESSA-N 2 0 296.503 1.331 20 70 CDIDRP CC[NH+](CC)CCN(CCOC)c1ccnc(C)n1 ZINC000160430755 364352620 /nfs/dbraw/zinc/35/26/20/364352620.db2.gz BALJNFACQJFEIM-UHFFFAOYSA-N 2 0 266.389 1.580 20 70 CDIDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000160050119 362013313 /nfs/dbraw/zinc/01/33/13/362013313.db2.gz ARPSMIDEDVNVDL-KRWDZBQOSA-N 2 0 288.439 1.602 20 70 CDIDRP C[C@@]1(C(=O)NCC[NH2+]C2CCCCCC2)CCC[NH2+]C1 ZINC000161282476 237196836 /nfs/dbraw/zinc/19/68/36/237196836.db2.gz UJWAHAJPRIDBBK-MRXNPFEDSA-N 2 0 281.444 1.805 20 70 CDIDRP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1)C1CC1 ZINC000159426746 361695323 /nfs/dbraw/zinc/69/53/23/361695323.db2.gz VUVHDHMCWUUFOP-UHFFFAOYSA-N 2 0 287.407 1.716 20 70 CDIDRP [NH3+][C@H](CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000217808969 140165308 /nfs/dbraw/zinc/16/53/08/140165308.db2.gz BXDRLWHFVWWDDY-PMPSAXMXSA-N 2 0 287.407 1.820 20 70 CDIDRP CC[N@H+](Cc1ccc(C(=O)NCCC[NH3+])cc1)C1CC1 ZINC000160132314 528776272 /nfs/dbraw/zinc/77/62/72/528776272.db2.gz CUXZTHQAMLRFHH-UHFFFAOYSA-N 2 0 275.396 1.750 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000159817799 361867143 /nfs/dbraw/zinc/86/71/43/361867143.db2.gz KRNBHNPMRNTUAQ-UHFFFAOYSA-N 2 0 296.459 1.456 20 70 CDIDRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC)CC1 ZINC000159846824 361878292 /nfs/dbraw/zinc/87/82/92/361878292.db2.gz YLMGKYNGHKAZKR-OAHLLOKOSA-N 2 0 296.459 1.598 20 70 CDIDRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836705 282198349 /nfs/dbraw/zinc/19/83/49/282198349.db2.gz IMDBMIKXYLZSES-DZGCQCFKSA-N 2 0 294.443 1.349 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000160318364 364334684 /nfs/dbraw/zinc/33/46/84/364334684.db2.gz NSSVUCKDAWZTDV-HUUCEWRRSA-N 2 0 273.380 1.211 20 70 CDIDRP CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161454712 364494610 /nfs/dbraw/zinc/49/46/10/364494610.db2.gz GMJKHFUNKMTQKD-HNNXBMFYSA-N 2 0 277.412 1.575 20 70 CDIDRP CCN(C)C(=O)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000217363679 276066972 /nfs/dbraw/zinc/06/69/72/276066972.db2.gz PHIOQTZDLXJXRF-MELADBBJSA-N 2 0 267.417 1.365 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)NCCC1CC[NH+](C)CC1 ZINC000159420201 282070203 /nfs/dbraw/zinc/07/02/03/282070203.db2.gz FSCUYPLRGVBNPM-UHFFFAOYSA-N 2 0 269.433 1.600 20 70 CDIDRP C[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000161417142 482878149 /nfs/dbraw/zinc/87/81/49/482878149.db2.gz VUZLDEMPQOQDDX-KWCYVHTRSA-N 2 0 267.417 1.398 20 70 CDIDRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160686631 342483139 /nfs/dbraw/zinc/48/31/39/342483139.db2.gz SWJVJMVPSFBPGH-HUUCEWRRSA-N 2 0 294.443 1.206 20 70 CDIDRP C[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000160938823 342073147 /nfs/dbraw/zinc/07/31/47/342073147.db2.gz SNKCUIXMVRSCEF-DZGCQCFKSA-N 2 0 275.396 1.329 20 70 CDIDRP COc1ccc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c(OC)c1 ZINC000217441580 140163638 /nfs/dbraw/zinc/16/36/38/140163638.db2.gz FKUVHKATSUPSPO-SMDDNHRTSA-N 2 0 264.369 1.873 20 70 CDIDRP C[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161043569 292798534 /nfs/dbraw/zinc/79/85/34/292798534.db2.gz COUOKFYIRAHLMI-UKRRQHHQSA-N 2 0 275.396 1.677 20 70 CDIDRP C[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161043444 362520647 /nfs/dbraw/zinc/52/06/47/362520647.db2.gz COUOKFYIRAHLMI-DZGCQCFKSA-N 2 0 275.396 1.677 20 70 CDIDRP O=C(C[NH+]1CCCC1)N1CC[NH+](CCC2CCCC2)CC1 ZINC000160517053 526731664 /nfs/dbraw/zinc/73/16/64/526731664.db2.gz UIFKYTLKCAUUAM-UHFFFAOYSA-N 2 0 293.455 1.807 20 70 CDIDRP CCC[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000160662154 539116176 /nfs/dbraw/zinc/11/61/76/539116176.db2.gz PMNGHALCJWNJQY-KRWDZBQOSA-N 3 0 297.487 1.687 20 70 CDIDRP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000159571527 362452617 /nfs/dbraw/zinc/45/26/17/362452617.db2.gz OXXGCYOTPCTOQZ-GJZGRUSLSA-N 2 0 283.460 1.953 20 70 CDIDRP C[NH+](C)CCC1CC[NH+](CCn2ccnc2)CC1 ZINC000159770605 237159177 /nfs/dbraw/zinc/15/91/77/237159177.db2.gz DKFNVRAOQMNTRY-UHFFFAOYSA-N 2 0 250.390 1.547 20 70 CDIDRP CCOCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000159960178 286057055 /nfs/dbraw/zinc/05/70/55/286057055.db2.gz IVRSEFWMWOWVFO-IAGOWNOFSA-N 2 0 297.487 1.903 20 70 CDIDRP NC(=O)C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161371628 534361579 /nfs/dbraw/zinc/36/15/79/534361579.db2.gz RSHBMFBKXVKHED-CQSZACIVSA-N 2 0 267.417 1.450 20 70 CDIDRP C[C@H](CC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[C@@H]1CCC[NH2+]C1 ZINC000159393153 342482390 /nfs/dbraw/zinc/48/23/90/342482390.db2.gz WPSUMAIHNAEHSJ-FMKPAKJESA-N 2 0 279.428 1.224 20 70 CDIDRP O=C(C[C@@H]1CCC[NH2+]1)NCC[NH2+]C1CCCCCC1 ZINC000159705257 361804978 /nfs/dbraw/zinc/80/49/78/361804978.db2.gz AORZNTKIWGALOL-AWEZNQCLSA-N 2 0 267.417 1.557 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000161157481 361900640 /nfs/dbraw/zinc/90/06/40/361900640.db2.gz QLXZCPXNEACCPE-GFCCVEGCSA-N 2 0 255.406 1.210 20 70 CDIDRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159615741 284592477 /nfs/dbraw/zinc/59/24/77/284592477.db2.gz GMXLVYRZQCKJBJ-OWCLPIDISA-N 2 0 285.391 1.054 20 70 CDIDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(F)cc(Cl)c1 ZINC000161138841 482865102 /nfs/dbraw/zinc/86/51/02/482865102.db2.gz BEKMULIIDMWUFL-UHFFFAOYSA-N 2 0 285.794 1.816 20 70 CDIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161484430 524558747 /nfs/dbraw/zinc/55/87/47/524558747.db2.gz JTVCIHGPHZTYCZ-BPUTZDHNSA-N 2 0 262.397 1.692 20 70 CDIDRP C[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[NH+]1CCCC1 ZINC000161072498 342073032 /nfs/dbraw/zinc/07/30/32/342073032.db2.gz JTVVEHLWRHYTGN-BBRMVZONSA-N 2 0 287.407 1.474 20 70 CDIDRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])COC)cc1 ZINC000159423231 362321199 /nfs/dbraw/zinc/32/11/99/362321199.db2.gz HIBXOSRIEPHSFA-HNNXBMFYSA-N 2 0 293.411 1.118 20 70 CDIDRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000161080016 482858101 /nfs/dbraw/zinc/85/81/01/482858101.db2.gz LTCKQIBMMUETQJ-KGLIPLIRSA-N 2 0 269.433 1.598 20 70 CDIDRP CN(Cc1ccc2c(c1)OCO2)C[C@H]1CCC[NH2+]C1 ZINC000216800001 140163625 /nfs/dbraw/zinc/16/36/25/140163625.db2.gz NXWDLNZDFKNLKE-ZDUSSCGKSA-N 2 0 262.353 1.847 20 70 CDIDRP CC(C)(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217057762 140164033 /nfs/dbraw/zinc/16/40/33/140164033.db2.gz PBKJYGPOBQSWTG-KGLIPLIRSA-N 2 0 281.444 1.613 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000159525314 528896994 /nfs/dbraw/zinc/89/69/94/528896994.db2.gz MWRHETPGDLQJCI-ZIAGYGMSSA-N 2 0 296.459 1.593 20 70 CDIDRP Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CC2 ZINC000160565193 539116104 /nfs/dbraw/zinc/11/61/04/539116104.db2.gz FBDQPKFTFJECKR-RISCZKNCSA-N 2 0 277.416 1.221 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000161283697 362402900 /nfs/dbraw/zinc/40/29/00/362402900.db2.gz PCVQGDDGZDDHFF-CYBMUJFWSA-N 2 0 281.444 1.885 20 70 CDIDRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000160668815 278025584 /nfs/dbraw/zinc/02/55/84/278025584.db2.gz AYQKVPCYIIIQPE-BZUAXINKSA-N 3 0 283.460 1.296 20 70 CDIDRP CC[C@@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160749890 522591521 /nfs/dbraw/zinc/59/15/21/522591521.db2.gz GQFNBFDQLZQQBO-UONOGXRCSA-N 2 0 258.406 1.238 20 70 CDIDRP C[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161053793 342353525 /nfs/dbraw/zinc/35/35/25/342353525.db2.gz OCZYPTBXGRZLGB-UONOGXRCSA-N 2 0 267.417 1.367 20 70 CDIDRP C[C@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161066319 358786446 /nfs/dbraw/zinc/78/64/46/358786446.db2.gz KYKAZMVWDZQPJH-XGUBFFRZSA-N 2 0 253.434 1.789 20 70 CDIDRP CCCn1nccc1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000159989922 482775920 /nfs/dbraw/zinc/77/59/20/482775920.db2.gz GDDXAOCHXZHYJI-UHFFFAOYSA-N 2 0 293.459 1.409 20 70 CDIDRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161425276 482877622 /nfs/dbraw/zinc/87/76/22/482877622.db2.gz WDKYAOAOYYGTDZ-HUUCEWRRSA-N 2 0 275.396 1.748 20 70 CDIDRP C[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000161053600 342353634 /nfs/dbraw/zinc/35/36/34/342353634.db2.gz OCZYPTBXGRZLGB-KBPBESRZSA-N 2 0 267.417 1.367 20 70 CDIDRP CSC[C@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000160416719 346129040 /nfs/dbraw/zinc/12/90/40/346129040.db2.gz DAPHVPPALSTLNP-YPMHNXCESA-N 2 0 260.447 1.420 20 70 CDIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160704166 358769752 /nfs/dbraw/zinc/76/97/52/358769752.db2.gz DZGGWEZNOGSKJD-OAGGEKHMSA-N 3 0 283.460 1.153 20 70 CDIDRP C[C@]1(C(=O)NCC[NH2+]C2CCCCCC2)CCC[NH2+]C1 ZINC000161282373 237197217 /nfs/dbraw/zinc/19/72/17/237197217.db2.gz UJWAHAJPRIDBBK-INIZCTEOSA-N 2 0 281.444 1.805 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159513859 361442941 /nfs/dbraw/zinc/44/29/41/361442941.db2.gz MWKGFJVKARBZTL-MGPQQGTHSA-N 2 0 267.417 1.317 20 70 CDIDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccsc1 ZINC000161310045 364476099 /nfs/dbraw/zinc/47/60/99/364476099.db2.gz IGXCVIWISVDCAQ-UHFFFAOYSA-N 2 0 267.442 1.817 20 70 CDIDRP C[NH2+]C[C@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161292318 522086768 /nfs/dbraw/zinc/08/67/68/522086768.db2.gz ZZCSWFZNPJJJLK-WTUNAVPPSA-N 2 0 265.401 1.118 20 70 CDIDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1OC ZINC000218298302 414101006 /nfs/dbraw/zinc/10/10/06/414101006.db2.gz QQELWYUNYAOKOO-MNOVXSKESA-N 2 0 252.358 1.572 20 70 CDIDRP [NH3+]C1(CC(=O)N2CCC([NH2+]CC3CC3)CC2)CCC1 ZINC000159866932 482753509 /nfs/dbraw/zinc/75/35/09/482753509.db2.gz WULSYOHEKNXRFN-UHFFFAOYSA-N 2 0 265.401 1.249 20 70 CDIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160681738 525337013 /nfs/dbraw/zinc/33/70/13/525337013.db2.gz VEHVEKVQMIMVAQ-RRFJBIMHSA-N 2 0 270.417 1.238 20 70 CDIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000160253349 362084676 /nfs/dbraw/zinc/08/46/76/362084676.db2.gz IVXVBOGBFUMXLY-ZBFHGGJFSA-N 2 0 283.460 1.417 20 70 CDIDRP CC(=O)NC[C@@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000159780426 363297394 /nfs/dbraw/zinc/29/73/94/363297394.db2.gz CIXZDRARLHUBLD-INIZCTEOSA-N 2 0 292.427 1.820 20 70 CDIDRP C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012772 358783253 /nfs/dbraw/zinc/78/32/53/358783253.db2.gz UNIWPVISNJPTHU-KBXIAJHMSA-N 2 0 253.434 1.932 20 70 CDIDRP CC[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161257563 364468555 /nfs/dbraw/zinc/46/85/55/364468555.db2.gz XTPXCQFPSCNZIL-ZDUSSCGKSA-N 2 0 277.412 1.866 20 70 CDIDRP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161083507 292799843 /nfs/dbraw/zinc/79/98/43/292799843.db2.gz UKEOFZMIFSLJCM-DZKIICNBSA-N 2 0 289.423 1.923 20 70 CDIDRP CN(CCC(=O)Nc1ccccc1F)[C@H](C[NH3+])C1CC1 ZINC000160044596 362389639 /nfs/dbraw/zinc/38/96/39/362389639.db2.gz XEVGFRXNXFMSEC-CQSZACIVSA-N 2 0 279.359 1.823 20 70 CDIDRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000160669181 358761805 /nfs/dbraw/zinc/76/18/05/358761805.db2.gz AYQKVPCYIIIQPE-HRCADAONSA-N 3 0 283.460 1.296 20 70 CDIDRP CCC([NH3+])(CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000160440183 377063935 /nfs/dbraw/zinc/06/39/35/377063935.db2.gz RJPXAIWAOXRTRX-CYBMUJFWSA-N 2 0 269.433 1.885 20 70 CDIDRP CC(C)(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000217057800 140163603 /nfs/dbraw/zinc/16/36/03/140163603.db2.gz PBKJYGPOBQSWTG-KBPBESRZSA-N 2 0 281.444 1.613 20 70 CDIDRP NC(=O)[C@H]1CCCN1C1CC[NH+](CCC2CCCC2)CC1 ZINC000159402296 361687894 /nfs/dbraw/zinc/68/78/94/361687894.db2.gz QBXCTSXVSOXXKH-MRXNPFEDSA-N 2 0 293.455 1.981 20 70 CDIDRP CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000161032419 365234250 /nfs/dbraw/zinc/23/42/50/365234250.db2.gz QYNIZCPCZOWMIM-CQSZACIVSA-N 2 0 269.433 1.421 20 70 CDIDRP C(C[N@@H+]1CCC[C@H]1CN1CCOCC1)C[NH+]1CCCCC1 ZINC000161286004 391586338 /nfs/dbraw/zinc/58/63/38/391586338.db2.gz MMNZWLGSDKTBQE-KRWDZBQOSA-N 2 0 295.471 1.659 20 70 CDIDRP CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217547033 140163451 /nfs/dbraw/zinc/16/34/51/140163451.db2.gz IJTGVIWPFFTSHT-KBPBESRZSA-N 2 0 267.417 1.448 20 70 CDIDRP CC[N@H+](CCNC(=O)N1CCC[NH+](CC)CC1)C(C)C ZINC000159801219 528487152 /nfs/dbraw/zinc/48/71/52/528487152.db2.gz GWFLUNGZXKCEAM-UHFFFAOYSA-N 2 0 284.448 1.454 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000160289112 539115712 /nfs/dbraw/zinc/11/57/12/539115712.db2.gz DXIIPZCKFRWKTM-OAHLLOKOSA-N 3 0 296.503 1.332 20 70 CDIDRP [NH3+]CCC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000216873092 344828969 /nfs/dbraw/zinc/82/89/69/344828969.db2.gz UKYSVXFFDJGUIP-UHFFFAOYSA-N 2 0 267.417 1.496 20 70 CDIDRP CCN(C)C(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000217397551 360327075 /nfs/dbraw/zinc/32/70/75/360327075.db2.gz BJPTZHFWQNFXHR-UHFFFAOYSA-N 2 0 276.384 1.118 20 70 CDIDRP CC[N@H+](CCNCc1cn2ccccc2n1)C1CC1 ZINC000218319677 361213472 /nfs/dbraw/zinc/21/34/72/361213472.db2.gz UJCNXVUKCAZCED-UHFFFAOYSA-N 2 0 258.369 1.908 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000160302567 364331960 /nfs/dbraw/zinc/33/19/60/364331960.db2.gz LNZRLYPTZVDJNS-JKSUJKDBSA-N 2 0 287.407 1.458 20 70 CDIDRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+](C)C ZINC000159767370 361840697 /nfs/dbraw/zinc/84/06/97/361840697.db2.gz HYLANWFQZQRQKI-OAHLLOKOSA-N 2 0 281.444 1.563 20 70 CDIDRP CC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159539374 362232898 /nfs/dbraw/zinc/23/28/98/362232898.db2.gz AUXVDCRMYICCNJ-UHFFFAOYSA-N 2 0 282.432 1.208 20 70 CDIDRP COC1(C(=O)NCC[NH2+]C2CCCCCC2)CC[NH2+]CC1 ZINC000159698959 361790098 /nfs/dbraw/zinc/79/00/98/361790098.db2.gz AAFHGQJUZJILCB-UHFFFAOYSA-N 2 0 297.443 1.184 20 70 CDIDRP C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000160160206 362041347 /nfs/dbraw/zinc/04/13/47/362041347.db2.gz SLWZIHLHFUYWNJ-HUUCEWRRSA-N 3 0 282.476 1.085 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977455 362383458 /nfs/dbraw/zinc/38/34/58/362383458.db2.gz FCPXKXBJMCGIDC-LBPRGKRZSA-N 2 0 292.379 1.855 20 70 CDIDRP CCC[NH+]1CCC([NH2+][C@@H]2CCc3nc(C)nn3C2)CC1 ZINC000160296335 538848517 /nfs/dbraw/zinc/84/85/17/538848517.db2.gz RLMLUNVYXUVHQO-CQSZACIVSA-N 2 0 277.416 1.365 20 70 CDIDRP CCn1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000160718957 391568736 /nfs/dbraw/zinc/56/87/36/391568736.db2.gz BLRDPGARWOIFIV-GOEBONIOSA-N 2 0 294.443 1.791 20 70 CDIDRP C[C@@H](c1ccccc1)N(C)C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217550331 140163510 /nfs/dbraw/zinc/16/35/10/140163510.db2.gz BRWCZXRAVUPMNM-GJZGRUSLSA-N 2 0 289.423 1.877 20 70 CDIDRP CCCC[C@H](COC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160235724 147714299 /nfs/dbraw/zinc/71/42/99/147714299.db2.gz TYEPLBODNWJKOU-OAHLLOKOSA-N 2 0 285.476 1.807 20 70 CDIDRP CCOCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000160411750 279686828 /nfs/dbraw/zinc/68/68/28/279686828.db2.gz GEQKFWDOWOMWKQ-UHFFFAOYSA-N 2 0 270.417 1.457 20 70 CDIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160737556 522581022 /nfs/dbraw/zinc/58/10/22/522581022.db2.gz WGZPWJBPIMHFOQ-OAGGEKHMSA-N 2 0 284.444 1.628 20 70 CDIDRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159939633 361953751 /nfs/dbraw/zinc/95/37/51/361953751.db2.gz HBOFKWBVNSEBIK-UHFFFAOYSA-N 2 0 284.448 1.456 20 70 CDIDRP C(CN1CC[NH+](C2CCOCC2)CC1)C[NH+]1CCCCC1 ZINC000161388762 364487386 /nfs/dbraw/zinc/48/73/86/364487386.db2.gz ZLUQOHLLYLNJHM-UHFFFAOYSA-N 2 0 295.471 1.659 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702718 524912311 /nfs/dbraw/zinc/91/23/11/524912311.db2.gz XHKXAQJUVYITNZ-TWMKSMIVSA-N 3 0 297.487 1.542 20 70 CDIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000160273710 362240318 /nfs/dbraw/zinc/24/03/18/362240318.db2.gz WWEHSKQDXBREPF-OAHLLOKOSA-N 2 0 253.434 1.791 20 70 CDIDRP C[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000161011325 362471401 /nfs/dbraw/zinc/47/14/01/362471401.db2.gz IWTYYIUZKSFBAQ-AVOUXACISA-N 2 0 279.428 1.508 20 70 CDIDRP C[N@@H+]1CCC[C@@H]1CC[NH+](C[C@@H]1CCOC1)C1CC1 ZINC000161409039 358801132 /nfs/dbraw/zinc/80/11/32/358801132.db2.gz QQRAKARQVHQXSU-UONOGXRCSA-N 2 0 252.402 1.972 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702601 391568065 /nfs/dbraw/zinc/56/80/65/391568065.db2.gz XHKXAQJUVYITNZ-VQHPVUNQSA-N 3 0 297.487 1.542 20 70 CDIDRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[NH+](C)C ZINC000159784649 139905604 /nfs/dbraw/zinc/90/56/04/139905604.db2.gz HYLANWFQZQRQKI-HNNXBMFYSA-N 2 0 281.444 1.563 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000159961223 279286649 /nfs/dbraw/zinc/28/66/49/279286649.db2.gz IVACMYMSDYSQPY-UONOGXRCSA-N 2 0 294.443 1.349 20 70 CDIDRP CC[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000160840848 521612711 /nfs/dbraw/zinc/61/27/11/521612711.db2.gz YFKKDQIUNYDFCL-UHFFFAOYSA-N 2 0 253.434 1.890 20 70 CDIDRP C[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000160938578 342073120 /nfs/dbraw/zinc/07/31/20/342073120.db2.gz SNKCUIXMVRSCEF-ZFWWWQNUSA-N 2 0 275.396 1.329 20 70 CDIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000160266632 362087070 /nfs/dbraw/zinc/08/70/70/362087070.db2.gz DYQVHJXHMXGSMS-OAHLLOKOSA-N 2 0 297.487 1.948 20 70 CDIDRP C[C@@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000159869412 362376981 /nfs/dbraw/zinc/37/69/81/362376981.db2.gz LAPGZAYYAQNRSP-VHSXEESVSA-N 2 0 281.322 1.114 20 70 CDIDRP C[N@@H+]1CCC[C@H]1CCSCCN1CCOCC1 ZINC000159849352 363372886 /nfs/dbraw/zinc/37/28/86/363372886.db2.gz XDPHWNPFXNJVKD-ZDUSSCGKSA-N 2 0 258.431 1.536 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159903120 528650199 /nfs/dbraw/zinc/65/01/99/528650199.db2.gz JHGJBNOONFKBMT-TXEJJXNPSA-N 2 0 253.390 1.104 20 70 CDIDRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159747182 361824235 /nfs/dbraw/zinc/82/42/35/361824235.db2.gz NAZRQXKPEMIBRT-UONOGXRCSA-N 2 0 265.401 1.104 20 70 CDIDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)CSC)[C@H](C)C1 ZINC000160222877 363771858 /nfs/dbraw/zinc/77/18/58/363771858.db2.gz RTZMWMYMVTWYPZ-AGIUHOORSA-N 2 0 260.447 1.420 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cncs1 ZINC000160198574 362051071 /nfs/dbraw/zinc/05/10/71/362051071.db2.gz XRAJWOKCYWBXHL-GFCCVEGCSA-N 2 0 282.457 1.820 20 70 CDIDRP C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540552 140163275 /nfs/dbraw/zinc/16/32/75/140163275.db2.gz NCBLNDIIKWKNBG-KGLIPLIRSA-N 2 0 275.396 1.535 20 70 CDIDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)C1 ZINC000160389798 276231089 /nfs/dbraw/zinc/23/10/89/276231089.db2.gz UQOOXTIVJVTECY-BNOWGMLFSA-N 2 0 277.416 1.221 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000159452665 279430662 /nfs/dbraw/zinc/43/06/62/279430662.db2.gz XDFSVYLCGVJOJZ-CABCVRRESA-N 2 0 298.475 1.841 20 70 CDIDRP CC[NH+]1CCC(N(C)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000161350559 521559983 /nfs/dbraw/zinc/55/99/83/521559983.db2.gz CDGNQMAXACEBNC-AWEZNQCLSA-N 2 0 253.434 1.887 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159525198 528897743 /nfs/dbraw/zinc/89/77/43/528897743.db2.gz MWRHETPGDLQJCI-KBPBESRZSA-N 2 0 296.459 1.593 20 70 CDIDRP CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)[NH+](C)C ZINC000160346498 363820568 /nfs/dbraw/zinc/82/05/68/363820568.db2.gz HLAPIIZNXYNDOX-LZWOXQAQSA-N 2 0 283.460 1.953 20 70 CDIDRP COc1ccc(OCC[N@H+](C)CCn2ccnc2)cc1 ZINC000161124521 364451524 /nfs/dbraw/zinc/45/15/24/364451524.db2.gz RAEFNPQPEBVATF-UHFFFAOYSA-N 2 0 275.352 1.903 20 70 CDIDRP C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000160627075 277296031 /nfs/dbraw/zinc/29/60/31/277296031.db2.gz SRQCUUGSUXQFPV-XJKSGUPXSA-N 2 0 287.407 1.254 20 70 CDIDRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)cc2c1OCO2 ZINC000159978443 362383396 /nfs/dbraw/zinc/38/33/96/362383396.db2.gz DOPJVRPHQFBZOZ-UHFFFAOYSA-N 2 0 278.352 1.595 20 70 CDIDRP CC[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000161454842 364495394 /nfs/dbraw/zinc/49/53/94/364495394.db2.gz GMJKHFUNKMTQKD-OAHLLOKOSA-N 2 0 277.412 1.575 20 70 CDIDRP COc1cc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000217934245 367259997 /nfs/dbraw/zinc/25/99/97/367259997.db2.gz IDQMPSYNDCSZSA-SGMGOOAPSA-N 2 0 263.385 1.909 20 70 CDIDRP C[NH+](C)C1(CNC(=O)c2ccnc(C[NH3+])c2)CCCC1 ZINC000160840122 362505285 /nfs/dbraw/zinc/50/52/85/362505285.db2.gz BNJLBVBEBKDFFW-UHFFFAOYSA-N 2 0 276.384 1.145 20 70 CDIDRP [NH3+]C1(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CCCCC1 ZINC000159761173 292768209 /nfs/dbraw/zinc/76/82/09/292768209.db2.gz XPMIFEUGRVPKHD-OAHLLOKOSA-N 2 0 287.407 1.651 20 70 CDIDRP C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000159623442 298298142 /nfs/dbraw/zinc/29/81/42/298298142.db2.gz KVPVAGFMLMJQBA-YUELXQCFSA-N 2 0 279.428 1.365 20 70 CDIDRP CCCn1nccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000159980479 482774340 /nfs/dbraw/zinc/77/43/40/482774340.db2.gz PBNZGZAOJRFPGX-UHFFFAOYSA-N 2 0 279.432 1.020 20 70 CDIDRP O=C(NCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000160701858 526337884 /nfs/dbraw/zinc/33/78/84/526337884.db2.gz MHJMPWBGKIDFGH-MCIONIFRSA-N 2 0 265.401 1.023 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628173 361757849 /nfs/dbraw/zinc/75/78/49/361757849.db2.gz VJNUYWXZXITZTP-HNNXBMFYSA-N 2 0 296.459 1.598 20 70 CDIDRP C[C@H](C[NH+]1CCCCC1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159898049 363426082 /nfs/dbraw/zinc/42/60/82/363426082.db2.gz MPFQGHRUKFBVQG-ZIAGYGMSSA-N 2 0 299.484 1.414 20 70 CDIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160737705 391569964 /nfs/dbraw/zinc/56/99/64/391569964.db2.gz WGZPWJBPIMHFOQ-BZUAXINKSA-N 2 0 284.444 1.628 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160213135 362058734 /nfs/dbraw/zinc/05/87/34/362058734.db2.gz FERICLWFGGRKTI-CYBMUJFWSA-N 2 0 279.432 1.097 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159513724 361442584 /nfs/dbraw/zinc/44/25/84/361442584.db2.gz MWKGFJVKARBZTL-RDBSUJKOSA-N 2 0 267.417 1.317 20 70 CDIDRP CC(C)(O)C[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161324602 519354626 /nfs/dbraw/zinc/35/46/26/519354626.db2.gz HSJYJDWOYZUFDY-UHFFFAOYSA-N 2 0 283.460 1.251 20 70 CDIDRP CCCC[N@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159854687 528343107 /nfs/dbraw/zinc/34/31/07/528343107.db2.gz VCWRKJZLZRCLLU-UHFFFAOYSA-N 2 0 284.448 1.456 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000161228706 361929170 /nfs/dbraw/zinc/92/91/70/361929170.db2.gz ZALPEMQUAZAXMU-HNNXBMFYSA-N 2 0 275.396 1.572 20 70 CDIDRP C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000160160318 291146059 /nfs/dbraw/zinc/14/60/59/291146059.db2.gz SLWZIHLHFUYWNJ-LSDHHAIUSA-N 3 0 282.476 1.085 20 70 CDIDRP [NH3+][C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000159617666 237155285 /nfs/dbraw/zinc/15/52/85/237155285.db2.gz ALTFVUADSVCGOG-HZSPNIEDSA-N 2 0 259.353 1.039 20 70 CDIDRP CC[NH2+]CC1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000161093801 519914573 /nfs/dbraw/zinc/91/45/73/519914573.db2.gz KWPVUTGWKQYAGS-MQVJKMGUSA-N 2 0 293.455 1.755 20 70 CDIDRP CC[NH2+]CC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000161032555 528280359 /nfs/dbraw/zinc/28/03/59/528280359.db2.gz XAJFPUQIFVZKQV-UHFFFAOYSA-N 2 0 267.417 1.354 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000161265503 290690406 /nfs/dbraw/zinc/69/04/06/290690406.db2.gz ZETDEIPKPILDTA-MCIONIFRSA-N 2 0 267.417 1.223 20 70 CDIDRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000160994078 347041303 /nfs/dbraw/zinc/04/13/03/347041303.db2.gz ZPPNIAYCWUGITC-CHWSQXEVSA-N 2 0 287.473 1.448 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000161299593 362442407 /nfs/dbraw/zinc/44/24/07/362442407.db2.gz TWNDPUXAFMNOMV-AWEZNQCLSA-N 2 0 281.444 1.696 20 70 CDIDRP C[N@@H+]1CCC[C@H]1CCN(CCO)Cc1ccccc1 ZINC000161408130 364489580 /nfs/dbraw/zinc/48/95/80/364489580.db2.gz DPWROUIZULKTNM-INIZCTEOSA-N 2 0 262.397 1.965 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000159962391 361975619 /nfs/dbraw/zinc/97/56/19/361975619.db2.gz FQSKDEXBUGBYNL-CQSZACIVSA-N 2 0 298.475 1.700 20 70 CDIDRP CC[C@H](COC)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000160749979 358771231 /nfs/dbraw/zinc/77/12/31/358771231.db2.gz GQFNBFDQLZQQBO-ZIAGYGMSSA-N 2 0 258.406 1.238 20 70 CDIDRP C[NH+]1CCC(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000159903915 362378660 /nfs/dbraw/zinc/37/86/60/362378660.db2.gz JQDDGXOXZDIBTO-HZPDHXFCSA-N 3 0 265.445 1.935 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000161299520 362438344 /nfs/dbraw/zinc/43/83/44/362438344.db2.gz TWNDPUXAFMNOMV-CQSZACIVSA-N 2 0 281.444 1.696 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161292195 522048285 /nfs/dbraw/zinc/04/82/85/522048285.db2.gz ZZCSWFZNPJJJLK-GSPSYOTPSA-N 2 0 265.401 1.118 20 70 CDIDRP Cc1nn(C)cc1C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000161187013 366018373 /nfs/dbraw/zinc/01/83/73/366018373.db2.gz VTAVTLGXFNUJSK-KBPBESRZSA-N 2 0 294.443 1.708 20 70 CDIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cnn(C)c1 ZINC000160668262 391561933 /nfs/dbraw/zinc/56/19/33/391561933.db2.gz QDFKYJLHZOMTIF-CVEARBPZSA-N 2 0 294.443 1.698 20 70 CDIDRP C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217544004 140163399 /nfs/dbraw/zinc/16/33/99/140163399.db2.gz SQNXSUCHQYJRQY-HZSPNIEDSA-N 2 0 267.417 1.352 20 70 CDIDRP C[C@H](CC(=O)NC[C@H](C)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000161097210 292799830 /nfs/dbraw/zinc/79/98/30/292799830.db2.gz NEYFGMIRZXWHSS-QLFBSQMISA-N 2 0 281.444 1.613 20 70 CDIDRP CC[NH+](CC)CCSCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000160994185 347039903 /nfs/dbraw/zinc/03/99/03/347039903.db2.gz ZPPNIAYCWUGITC-OLZOCXBDSA-N 2 0 287.473 1.448 20 70 CDIDRP C[NH+](C)C1(CNC(=O)[C@](C)([NH3+])c2ccccc2)CCCC1 ZINC000160838661 188493643 /nfs/dbraw/zinc/49/36/43/188493643.db2.gz NQOAKMZAZJZUMY-MRXNPFEDSA-N 2 0 289.423 1.851 20 70 CDIDRP C[N@@H+]1CCC[C@@H]1CCSCCN1CCOCC1 ZINC000159849186 363372957 /nfs/dbraw/zinc/37/29/57/363372957.db2.gz XDPHWNPFXNJVKD-CYBMUJFWSA-N 2 0 258.431 1.536 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1(C)CC1 ZINC000160256118 299296345 /nfs/dbraw/zinc/29/63/45/299296345.db2.gz BSQUKMFDMPXWPB-ZDUSSCGKSA-N 2 0 253.434 1.791 20 70 CDIDRP CC(C)[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000160830824 390981335 /nfs/dbraw/zinc/98/13/35/390981335.db2.gz CNXUIQLIKXMPCC-ZQDZILKHSA-N 2 0 254.418 1.977 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702842 288105603 /nfs/dbraw/zinc/10/56/03/288105603.db2.gz XHKXAQJUVYITNZ-QBPKDAKJSA-N 3 0 297.487 1.542 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000161161413 292801217 /nfs/dbraw/zinc/80/12/17/292801217.db2.gz WSTUIFFPRANWGH-UHFFFAOYSA-N 2 0 285.432 1.108 20 70 CDIDRP C[NH+]1CCC(CCNC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000161398308 523759798 /nfs/dbraw/zinc/75/97/98/523759798.db2.gz SKZXGQJVTSTVAQ-CQSZACIVSA-N 2 0 279.428 1.224 20 70 CDIDRP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000161277455 362385807 /nfs/dbraw/zinc/38/58/07/362385807.db2.gz XSLCPAWXWBWYTH-CQSZACIVSA-N 2 0 283.460 1.988 20 70 CDIDRP C[C@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[C@@H]1CCC[NH2+]C1 ZINC000160745883 533645429 /nfs/dbraw/zinc/64/54/29/533645429.db2.gz KQFVJKTXLFWDFS-TUVASFSCSA-N 2 0 279.428 1.365 20 70 CDIDRP O=C(C[C@H]1CCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159859917 361884378 /nfs/dbraw/zinc/88/43/78/361884378.db2.gz COFLMSNGVBZSFX-CQSZACIVSA-N 2 0 265.401 1.119 20 70 CDIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000160253717 362084679 /nfs/dbraw/zinc/08/46/79/362084679.db2.gz IVXVBOGBFUMXLY-GOEBONIOSA-N 2 0 283.460 1.417 20 70 CDIDRP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836829 282262134 /nfs/dbraw/zinc/26/21/34/282262134.db2.gz IMDBMIKXYLZSES-ZFWWWQNUSA-N 2 0 294.443 1.349 20 70 CDIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@H](C)C1 ZINC000160190552 363740176 /nfs/dbraw/zinc/74/01/76/363740176.db2.gz WELCTEBFFJZMLU-NVXWUHKLSA-N 3 0 296.503 1.332 20 70 CDIDRP C[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)[N@H+](C)C1CC1 ZINC000161311759 369833096 /nfs/dbraw/zinc/83/30/96/369833096.db2.gz DTILDFHXBICGRB-RYUDHWBXSA-N 2 0 276.384 1.044 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000159961367 285215945 /nfs/dbraw/zinc/21/59/45/285215945.db2.gz IVACMYMSDYSQPY-KBPBESRZSA-N 2 0 294.443 1.349 20 70 CDIDRP Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000160424365 391466048 /nfs/dbraw/zinc/46/60/48/391466048.db2.gz BVRQSZNGXHFWTB-CDGCEXEKSA-N 2 0 277.416 1.220 20 70 CDIDRP C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217540638 140163840 /nfs/dbraw/zinc/16/38/40/140163840.db2.gz NCBLNDIIKWKNBG-KBPBESRZSA-N 2 0 275.396 1.535 20 70 CDIDRP CCC[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000160662025 539116152 /nfs/dbraw/zinc/11/61/52/539116152.db2.gz PMNGHALCJWNJQY-QGZVFWFLSA-N 3 0 297.487 1.687 20 70 CDIDRP CC(C)[N@H+](C)CCCNCc1cccc(C(N)=O)c1 ZINC000218092636 367261082 /nfs/dbraw/zinc/26/10/82/367261082.db2.gz IAWBRTGDHSUNOB-UHFFFAOYSA-N 2 0 263.385 1.605 20 70 CDIDRP CCC[NH+]1CCC([NH2+][C@@H](CCO)CSC)CC1 ZINC000160147738 377352151 /nfs/dbraw/zinc/35/21/51/377352151.db2.gz ITQZCCZWJSKINK-ZDUSSCGKSA-N 2 0 260.447 1.564 20 70 CDIDRP C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000160768958 482823022 /nfs/dbraw/zinc/82/30/22/482823022.db2.gz JFQKIYHNJZBVBG-RDBSUJKOSA-N 2 0 267.417 1.637 20 70 CDIDRP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)CC2 ZINC000160564934 539116083 /nfs/dbraw/zinc/11/60/83/539116083.db2.gz FBDQPKFTFJECKR-FZMZJTMJSA-N 2 0 277.416 1.221 20 70 CDIDRP COCC[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160268333 363795118 /nfs/dbraw/zinc/79/51/18/363795118.db2.gz QZQZBRUYLHTQTA-ZDUSSCGKSA-N 2 0 257.422 1.027 20 70 CDIDRP COc1ccccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161279696 364473540 /nfs/dbraw/zinc/47/35/40/364473540.db2.gz DNHQLRYLQVCJEQ-UHFFFAOYSA-N 2 0 291.439 1.765 20 70 CDIDRP CC(=O)NC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161298900 519673076 /nfs/dbraw/zinc/67/30/76/519673076.db2.gz OHRQDKQXLYACEF-MRXNPFEDSA-N 2 0 281.444 1.711 20 70 CDIDRP CCn1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1 ZINC000160718807 523456550 /nfs/dbraw/zinc/45/65/50/523456550.db2.gz BLRDPGARWOIFIV-GDBMZVCRSA-N 2 0 294.443 1.791 20 70 CDIDRP C[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[NH+]1CCCC1 ZINC000161072369 342073056 /nfs/dbraw/zinc/07/30/56/342073056.db2.gz JTVVEHLWRHYTGN-CZUORRHYSA-N 2 0 287.407 1.474 20 70 CDIDRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000160836458 282197950 /nfs/dbraw/zinc/19/79/50/282197950.db2.gz IMDBMIKXYLZSES-UKRRQHHQSA-N 2 0 294.443 1.349 20 70 CDIDRP [NH3+]C1(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CCCCC1 ZINC000159761042 363281431 /nfs/dbraw/zinc/28/14/31/363281431.db2.gz XPMIFEUGRVPKHD-HNNXBMFYSA-N 2 0 287.407 1.651 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000159949838 279286150 /nfs/dbraw/zinc/28/61/50/279286150.db2.gz RLWHZDAPSCMHAZ-CABCVRRESA-N 2 0 296.459 1.596 20 70 CDIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000160266557 289069639 /nfs/dbraw/zinc/06/96/39/289069639.db2.gz DYQVHJXHMXGSMS-HNNXBMFYSA-N 2 0 297.487 1.948 20 70 CDIDRP CCSCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000159569630 362344504 /nfs/dbraw/zinc/34/45/04/362344504.db2.gz PZHVSWAJPVEGNN-KGLIPLIRSA-N 2 0 299.484 1.320 20 70 CDIDRP C[C@@H](CC(=O)NCC1([NH3+])CCCCC1)C1CC[NH2+]CC1 ZINC000159687464 362359170 /nfs/dbraw/zinc/35/91/70/362359170.db2.gz IQIATFKXSPTVPD-ZDUSSCGKSA-N 2 0 281.444 1.790 20 70 CDIDRP CC[NH+](CC)CCSCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000160993931 347041350 /nfs/dbraw/zinc/04/13/50/347041350.db2.gz ZPPNIAYCWUGITC-STQMWFEESA-N 2 0 287.473 1.448 20 70 CDIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161127132 362682515 /nfs/dbraw/zinc/68/25/15/362682515.db2.gz GMPWYPRHYONHMC-JSGCOSHPSA-N 2 0 276.380 1.888 20 70 CDIDRP C[C@H]1C[C@@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012912 291084512 /nfs/dbraw/zinc/08/45/12/291084512.db2.gz UNIWPVISNJPTHU-XGUBFFRZSA-N 2 0 253.434 1.932 20 70 CDIDRP CC[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000161257436 364469232 /nfs/dbraw/zinc/46/92/32/364469232.db2.gz XTPXCQFPSCNZIL-CYBMUJFWSA-N 2 0 277.412 1.866 20 70 CDIDRP C[C@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544542 140163641 /nfs/dbraw/zinc/16/36/41/140163641.db2.gz MRUQZRIHYPNVAB-RYUDHWBXSA-N 2 0 281.425 1.596 20 70 CDIDRP C[NH+](C)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161272083 524039370 /nfs/dbraw/zinc/03/93/70/524039370.db2.gz MIIOBHIRRCOKNN-UHFFFAOYSA-N 2 0 253.434 1.888 20 70 CDIDRP CNC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161051710 529922429 /nfs/dbraw/zinc/92/24/29/529922429.db2.gz KOVHENNCHWQUTF-AWEZNQCLSA-N 2 0 267.417 1.320 20 70 CDIDRP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000217806458 303356650 /nfs/dbraw/zinc/35/66/50/303356650.db2.gz ZZFVXBVDXLWGME-STQMWFEESA-N 2 0 265.401 1.391 20 70 CDIDRP CC(C)[C@H](C(=O)NCC1([NH3+])CCCCC1)[NH+](C)C ZINC000159502621 528916666 /nfs/dbraw/zinc/91/66/66/528916666.db2.gz AFGVYELXVGHJRK-GFCCVEGCSA-N 2 0 255.406 1.350 20 70 CDIDRP CC[C@](C)(O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000160765617 529374237 /nfs/dbraw/zinc/37/42/37/529374237.db2.gz LVYCYFKOSAZRQP-BBWFWOEESA-N 2 0 297.487 1.638 20 70 CDIDRP C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)CC[N@@H+]1C ZINC000160160421 362040673 /nfs/dbraw/zinc/04/06/73/362040673.db2.gz SLWZIHLHFUYWNJ-CABCVRRESA-N 3 0 282.476 1.085 20 70 CDIDRP C[NH+](C)C[C@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161105055 237193518 /nfs/dbraw/zinc/19/35/18/237193518.db2.gz GLXDNXVAMWUKFI-OAHLLOKOSA-N 2 0 253.434 1.746 20 70 CDIDRP C[C@H](C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000160219048 364319574 /nfs/dbraw/zinc/31/95/74/364319574.db2.gz HAHZLZVURYPKGB-IACUBPJLSA-N 2 0 261.369 1.272 20 70 CDIDRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217808104 367258274 /nfs/dbraw/zinc/25/82/74/367258274.db2.gz KUKQOHTWWAVFNX-OAGGEKHMSA-N 2 0 287.407 1.299 20 70 CDIDRP C[NH+](C)Cc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000160244678 292781217 /nfs/dbraw/zinc/78/12/17/292781217.db2.gz FJVKYDFNPAAVRF-UHFFFAOYSA-N 2 0 289.423 1.964 20 70 CDIDRP COC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000159404248 292817694 /nfs/dbraw/zinc/81/76/94/292817694.db2.gz GLZWTWKTGKKEQM-CQSZACIVSA-N 2 0 297.443 1.265 20 70 CDIDRP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160665476 346190159 /nfs/dbraw/zinc/19/01/59/346190159.db2.gz CYUNGHFNCDPUFS-HNNXBMFYSA-N 2 0 294.443 1.208 20 70 CDIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161127010 362682437 /nfs/dbraw/zinc/68/24/37/362682437.db2.gz GMPWYPRHYONHMC-OCCSQVGLSA-N 2 0 276.380 1.888 20 70 CDIDRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000160579615 188481846 /nfs/dbraw/zinc/48/18/46/188481846.db2.gz FSERBAOQIKOZRU-JKSUJKDBSA-N 2 0 289.423 1.890 20 70 CDIDRP [NH3+]CC1(C(=O)NCC[NH2+]C2CCCCCC2)CCCC1 ZINC000159645644 392486824 /nfs/dbraw/zinc/48/68/24/392486824.db2.gz GKTHBXYSRVOYFO-UHFFFAOYSA-N 2 0 281.444 1.934 20 70 CDIDRP C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000160627200 277296079 /nfs/dbraw/zinc/29/60/79/277296079.db2.gz SRQCUUGSUXQFPV-CZUORRHYSA-N 2 0 287.407 1.254 20 70 CDIDRP COC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000159404112 293117338 /nfs/dbraw/zinc/11/73/38/293117338.db2.gz GLZWTWKTGKKEQM-AWEZNQCLSA-N 2 0 297.443 1.265 20 70 CDIDRP CCOC(=O)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000160969915 520637915 /nfs/dbraw/zinc/63/79/15/520637915.db2.gz VPHSZNRTWQXRBO-UHFFFAOYSA-N 2 0 298.427 1.374 20 70 CDIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000160253465 286907524 /nfs/dbraw/zinc/90/75/24/286907524.db2.gz IVXVBOGBFUMXLY-GDBMZVCRSA-N 2 0 283.460 1.417 20 70 CDIDRP CCn1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cn1 ZINC000160232687 362074095 /nfs/dbraw/zinc/07/40/95/362074095.db2.gz WVYUYANGDAJIAT-AWEZNQCLSA-N 2 0 293.459 1.580 20 70 CDIDRP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000161289526 364474328 /nfs/dbraw/zinc/47/43/28/364474328.db2.gz XUQOSPHXEZHMDL-UHFFFAOYSA-N 2 0 265.401 1.657 20 70 CDIDRP CCCC[C@@H](COC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160235590 278725245 /nfs/dbraw/zinc/72/52/45/278725245.db2.gz TYEPLBODNWJKOU-HNNXBMFYSA-N 2 0 285.476 1.807 20 70 CDIDRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000160833916 482829419 /nfs/dbraw/zinc/82/94/19/482829419.db2.gz IKBDJKMJKLFCKB-AWEZNQCLSA-N 2 0 283.460 1.988 20 70 CDIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000160253592 362084707 /nfs/dbraw/zinc/08/47/07/362084707.db2.gz IVXVBOGBFUMXLY-HOCLYGCPSA-N 2 0 283.460 1.417 20 70 CDIDRP CSC[C@@H](CCO)[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000160416938 346129006 /nfs/dbraw/zinc/12/90/06/346129006.db2.gz DAPHVPPALSTLNP-DGCLKSJQSA-N 2 0 260.447 1.420 20 70 CDIDRP CC[NH+](CC)CCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000161506111 364505999 /nfs/dbraw/zinc/50/59/99/364505999.db2.gz KMNONYINJCPMSZ-UHFFFAOYSA-N 2 0 264.373 1.390 20 70 CDIDRP C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000217550037 140163933 /nfs/dbraw/zinc/16/39/33/140163933.db2.gz ZNDAGBGZKZJQSQ-KGLIPLIRSA-N 2 0 287.407 1.635 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000159664467 364247458 /nfs/dbraw/zinc/24/74/58/364247458.db2.gz ZGCZJGZMSZXZIY-AWEZNQCLSA-N 2 0 294.443 1.208 20 70 CDIDRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000161425416 482878489 /nfs/dbraw/zinc/87/84/89/482878489.db2.gz WDKYAOAOYYGTDZ-CABCVRRESA-N 2 0 275.396 1.748 20 70 CDIDRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000159577063 279334151 /nfs/dbraw/zinc/33/41/51/279334151.db2.gz XYDYKODGINUVCN-QWHCGFSZSA-N 2 0 255.406 1.173 20 70 CDIDRP CC[C@H]1CN(C(=O)C(CC)(CC)C[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000161286956 362402911 /nfs/dbraw/zinc/40/29/11/362402911.db2.gz BIZHANVCFZOPIV-KGLIPLIRSA-N 2 0 299.459 1.055 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000160291758 364330143 /nfs/dbraw/zinc/33/01/43/364330143.db2.gz MCCYSMNKPMDVTQ-CVEARBPZSA-N 2 0 287.407 1.601 20 70 CDIDRP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000218159559 277328250 /nfs/dbraw/zinc/32/82/50/277328250.db2.gz BOHVQJHHVDNWNJ-SQWLQELKSA-N 2 0 295.471 1.952 20 70 CDIDRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000217924695 536428181 /nfs/dbraw/zinc/42/81/81/536428181.db2.gz LLDVOGSQDFGZKW-HEHGZKQESA-N 2 0 289.423 1.865 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC1 ZINC000159664600 361765053 /nfs/dbraw/zinc/76/50/53/361765053.db2.gz ZGCZJGZMSZXZIY-CQSZACIVSA-N 2 0 294.443 1.208 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1(C)CC1 ZINC000160256239 362084159 /nfs/dbraw/zinc/08/41/59/362084159.db2.gz BSQUKMFDMPXWPB-CYBMUJFWSA-N 2 0 253.434 1.791 20 70 CDIDRP C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCCC1 ZINC000161011441 362470970 /nfs/dbraw/zinc/47/09/70/362470970.db2.gz IWTYYIUZKSFBAQ-FFHGMXDLSA-N 2 0 279.428 1.508 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCC[NH+]1CCC[C@@H]1CO ZINC000160702968 391567986 /nfs/dbraw/zinc/56/79/86/391567986.db2.gz XHKXAQJUVYITNZ-YYIAUSFCSA-N 3 0 297.487 1.542 20 70 CDIDRP C[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000217943173 279340858 /nfs/dbraw/zinc/34/08/58/279340858.db2.gz MNDWHWCNSUTNGI-MGPQQGTHSA-N 2 0 267.417 1.352 20 70 CDIDRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000161425027 482878326 /nfs/dbraw/zinc/87/83/26/482878326.db2.gz WDKYAOAOYYGTDZ-LSDHHAIUSA-N 2 0 275.396 1.748 20 70 CDIDRP CC(C)[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[NH+](C)C ZINC000159582829 361736881 /nfs/dbraw/zinc/73/68/81/361736881.db2.gz AICBUNHBSVZVIV-GFCCVEGCSA-N 2 0 257.422 1.277 20 70 CDIDRP Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)CC2 ZINC000160565060 538848979 /nfs/dbraw/zinc/84/89/79/538848979.db2.gz FBDQPKFTFJECKR-BXUZGUMPSA-N 2 0 277.416 1.221 20 70 CDIDRP C[NH+](C)C[C@@H]1CCN(CCC[NH+]2CCCCC2)C1 ZINC000161104935 237193680 /nfs/dbraw/zinc/19/36/80/237193680.db2.gz GLXDNXVAMWUKFI-HNNXBMFYSA-N 2 0 253.434 1.746 20 70 CDIDRP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCCN1C ZINC000160359975 361526380 /nfs/dbraw/zinc/52/63/80/361526380.db2.gz BUNDGXUGWBLEEN-CQSZACIVSA-N 2 0 261.369 1.829 20 70 CDIDRP CC(=O)NC1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000161462137 391592731 /nfs/dbraw/zinc/59/27/31/391592731.db2.gz XBIHYUVIFHRLQN-UHFFFAOYSA-N 2 0 281.444 1.755 20 70 CDIDRP CCOCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000159959933 528660843 /nfs/dbraw/zinc/66/08/43/528660843.db2.gz IVRSEFWMWOWVFO-CALCHBBNSA-N 2 0 297.487 1.903 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000160288970 539115691 /nfs/dbraw/zinc/11/56/91/539115691.db2.gz DXIIPZCKFRWKTM-HNNXBMFYSA-N 3 0 296.503 1.332 20 70 CDIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000160273594 362239442 /nfs/dbraw/zinc/23/94/42/362239442.db2.gz WWEHSKQDXBREPF-HNNXBMFYSA-N 2 0 253.434 1.791 20 70 CDIDRP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217808269 367257912 /nfs/dbraw/zinc/25/79/12/367257912.db2.gz KUKQOHTWWAVFNX-PMPSAXMXSA-N 2 0 287.407 1.299 20 70 CDIDRP COc1cc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccn1 ZINC000217934084 367259579 /nfs/dbraw/zinc/25/95/79/367259579.db2.gz IDQMPSYNDCSZSA-OUCADQQQSA-N 2 0 263.385 1.909 20 70 CDIDRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000218361002 391306235 /nfs/dbraw/zinc/30/62/35/391306235.db2.gz SZTBXFSCWRAFCP-UONOGXRCSA-N 2 0 269.433 1.598 20 70 CDIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161484299 524900677 /nfs/dbraw/zinc/90/06/77/524900677.db2.gz JTVCIHGPHZTYCZ-KBMXLJTQSA-N 2 0 262.397 1.692 20 70 CDIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCOCC1 ZINC000160768301 390981141 /nfs/dbraw/zinc/98/11/41/390981141.db2.gz ZHJZHIAEYPYLNB-GDBMZVCRSA-N 2 0 284.444 1.628 20 70 CDIDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCC(NC(C)=O)CC2)C1 ZINC000161348582 519863834 /nfs/dbraw/zinc/86/38/34/519863834.db2.gz WJXMLFIFKUMRHM-QQFBHYJXSA-N 2 0 281.444 1.755 20 70 CDIDRP C[NH+]1CCC(CCNC(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000160812650 523758156 /nfs/dbraw/zinc/75/81/56/523758156.db2.gz RKVLRLRNKPSMPZ-AWEZNQCLSA-N 2 0 267.417 1.224 20 70 CDIDRP O=C(NCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000160711799 362476178 /nfs/dbraw/zinc/47/61/78/362476178.db2.gz HTCWEMJWHDBKEY-UHFFFAOYSA-N 2 0 288.395 1.166 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000160291627 390978529 /nfs/dbraw/zinc/97/85/29/390978529.db2.gz MCCYSMNKPMDVTQ-HZPDHXFCSA-N 2 0 287.407 1.601 20 70 CDIDRP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@@H+]1C ZINC000161012545 278028701 /nfs/dbraw/zinc/02/87/01/278028701.db2.gz UNIWPVISNJPTHU-TUVASFSCSA-N 2 0 253.434 1.932 20 70 CDIDRP C[C@@H](CNC(=O)CCC1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000161042291 342073134 /nfs/dbraw/zinc/07/31/34/342073134.db2.gz XQJOFQOIRDQOES-ZDUSSCGKSA-N 2 0 267.417 1.367 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000159949971 361962129 /nfs/dbraw/zinc/96/21/29/361962129.db2.gz RLWHZDAPSCMHAZ-GJZGRUSLSA-N 2 0 296.459 1.596 20 70 CDIDRP C[NH2+]C[C@H]1CCCN(Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000159977572 362384102 /nfs/dbraw/zinc/38/41/02/362384102.db2.gz FCPXKXBJMCGIDC-GFCCVEGCSA-N 2 0 292.379 1.855 20 70 CDIDRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc2c1OCO2 ZINC000159982227 362384830 /nfs/dbraw/zinc/38/48/30/362384830.db2.gz MYKNTEXIDFPZEK-NSHDSACASA-N 2 0 292.379 1.983 20 70 CDIDRP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000161163939 358789838 /nfs/dbraw/zinc/78/98/38/358789838.db2.gz ZDYKPBKETLWLNN-RBSFLKMASA-N 2 0 253.434 1.933 20 70 CDIDRP C[C@@H](O)C[NH+](C)Cc1cccc(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000159495251 364219027 /nfs/dbraw/zinc/21/90/27/364219027.db2.gz MXFDRIFDLLGQOT-ZIAGYGMSSA-N 2 0 280.412 1.312 20 70 CDIDRP CC(C)([NH3+])CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160072449 364301560 /nfs/dbraw/zinc/30/15/60/364301560.db2.gz RHTRJVDWHFNJCF-HNNXBMFYSA-N 2 0 289.423 1.895 20 70 CDIDRP C[C@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCCC1 ZINC000161014921 292797989 /nfs/dbraw/zinc/79/79/89/292797989.db2.gz KCINDOPIAKLRFV-HIFRSBDPSA-N 2 0 275.396 1.157 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnn(C)c1 ZINC000160213054 362058653 /nfs/dbraw/zinc/05/86/53/362058653.db2.gz FERICLWFGGRKTI-ZDUSSCGKSA-N 2 0 279.432 1.097 20 70 CDIDRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160233363 364322868 /nfs/dbraw/zinc/32/28/68/364322868.db2.gz HTIRDJSRBOIHNR-HUUCEWRRSA-N 2 0 275.396 1.629 20 70 CDIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160682078 287022551 /nfs/dbraw/zinc/02/25/51/287022551.db2.gz VEHVEKVQMIMVAQ-QLFBSQMISA-N 2 0 270.417 1.238 20 70 CDIDRP C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000160626949 277300957 /nfs/dbraw/zinc/30/09/57/277300957.db2.gz SRQCUUGSUXQFPV-CJNGLKHVSA-N 2 0 287.407 1.254 20 70 CDIDRP CC(=O)NC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000161026858 278088521 /nfs/dbraw/zinc/08/85/21/278088521.db2.gz HSEDMWXCNLABRU-UHFFFAOYSA-N 2 0 267.417 1.365 20 70 CDIDRP COC(=O)[C@H](C)C[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161280715 523862363 /nfs/dbraw/zinc/86/23/63/523862363.db2.gz WVPJFGLUEDVRSM-CYBMUJFWSA-N 2 0 256.390 1.603 20 70 CDIDRP COc1cc(CN2CCC[C@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978589 362383635 /nfs/dbraw/zinc/38/36/35/362383635.db2.gz ZWJPOTGULHPZEO-LLVKDONJSA-N 2 0 278.352 1.595 20 70 CDIDRP C[C@H](C(=O)NCC(F)(F)F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000159869541 359794693 /nfs/dbraw/zinc/79/46/93/359794693.db2.gz LAPGZAYYAQNRSP-NXEZZACHSA-N 2 0 281.322 1.114 20 70 CDIDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000160609170 364087603 /nfs/dbraw/zinc/08/76/03/364087603.db2.gz QAUJDEXTDMQEDD-KGLIPLIRSA-N 2 0 272.433 1.484 20 70 CDIDRP C[C@H]([NH2+]CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000159675080 364250009 /nfs/dbraw/zinc/25/00/09/364250009.db2.gz QTTCTWSDWPBVCD-LBPRGKRZSA-N 2 0 252.358 1.270 20 70 CDIDRP CC(=O)NC1CCC([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000161277946 519645402 /nfs/dbraw/zinc/64/54/02/519645402.db2.gz IACCICFVPLOSID-NFOMZHRRSA-N 2 0 279.428 1.508 20 70 CDIDRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160665355 346190203 /nfs/dbraw/zinc/19/02/03/346190203.db2.gz CYUNGHFNCDPUFS-OAHLLOKOSA-N 2 0 294.443 1.208 20 70 CDIDRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000160318487 364334750 /nfs/dbraw/zinc/33/47/50/364334750.db2.gz NSSVUCKDAWZTDV-CABCVRRESA-N 2 0 273.380 1.211 20 70 CDIDRP Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000160424493 391466564 /nfs/dbraw/zinc/46/65/64/391466564.db2.gz BVRQSZNGXHFWTB-AUZPSNTRSA-N 2 0 277.416 1.220 20 70 CDIDRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc2c1OCO2 ZINC000159986294 292775021 /nfs/dbraw/zinc/77/50/21/292775021.db2.gz HNULTNSKPBGOBE-UHFFFAOYSA-N 2 0 292.379 1.985 20 70 CDIDRP C[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161043191 292798518 /nfs/dbraw/zinc/79/85/18/292798518.db2.gz COUOKFYIRAHLMI-ZFWWWQNUSA-N 2 0 275.396 1.677 20 70 CDIDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C)cn3)C2)CC1 ZINC000160049996 362012837 /nfs/dbraw/zinc/01/28/37/362012837.db2.gz ARPSMIDEDVNVDL-QGZVFWFLSA-N 2 0 288.439 1.602 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCCC1=O ZINC000159513586 361437398 /nfs/dbraw/zinc/43/73/98/361437398.db2.gz MWKGFJVKARBZTL-MCIONIFRSA-N 2 0 267.417 1.317 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCCC1=O ZINC000159514008 361444535 /nfs/dbraw/zinc/44/45/35/361444535.db2.gz MWKGFJVKARBZTL-HZSPNIEDSA-N 2 0 267.417 1.317 20 70 CDIDRP C[C@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000160938943 342073044 /nfs/dbraw/zinc/07/30/44/342073044.db2.gz SNKCUIXMVRSCEF-UKRRQHHQSA-N 2 0 275.396 1.329 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000160176090 362045711 /nfs/dbraw/zinc/04/57/11/362045711.db2.gz TYJPKPHKQVGVMJ-UONOGXRCSA-N 2 0 269.433 1.027 20 70 CDIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@@H]1CCOC1 ZINC000160176209 362045758 /nfs/dbraw/zinc/04/57/58/362045758.db2.gz TYJPKPHKQVGVMJ-ZIAGYGMSSA-N 2 0 269.433 1.027 20 70 CDIDRP [NH3+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160129477 237167681 /nfs/dbraw/zinc/16/76/81/237167681.db2.gz JWMQJNGNYGZKOE-HNNXBMFYSA-N 2 0 275.396 1.506 20 70 CDIDRP CCC[NH+]1CCC([NH2+][C@H](CCO)CSC)CC1 ZINC000160147857 377352706 /nfs/dbraw/zinc/35/27/06/377352706.db2.gz ITQZCCZWJSKINK-CYBMUJFWSA-N 2 0 260.447 1.564 20 70 CDIDRP COC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)C ZINC000160737278 522353038 /nfs/dbraw/zinc/35/30/38/522353038.db2.gz MWUPQZQXZLCYLR-HUUCEWRRSA-N 2 0 272.433 1.484 20 70 CDIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)[C@H]1CCOC1 ZINC000160176285 362045222 /nfs/dbraw/zinc/04/52/22/362045222.db2.gz TYJPKPHKQVGVMJ-KBPBESRZSA-N 2 0 269.433 1.027 20 70 CDIDRP COc1cc(CN2CCC[C@@H](C[NH3+])C2)cc2c1OCO2 ZINC000159978733 362383042 /nfs/dbraw/zinc/38/30/42/362383042.db2.gz ZWJPOTGULHPZEO-NSHDSACASA-N 2 0 278.352 1.595 20 70 CDIDRP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000160686858 346194370 /nfs/dbraw/zinc/19/43/70/346194370.db2.gz SWJVJMVPSFBPGH-LSDHHAIUSA-N 2 0 294.443 1.206 20 70 CDIDRP CCC[NH+]1CCC([NH2+][C@H]2CCc3nc(C)nn3C2)CC1 ZINC000160296482 538848310 /nfs/dbraw/zinc/84/83/10/538848310.db2.gz RLMLUNVYXUVHQO-AWEZNQCLSA-N 2 0 277.416 1.365 20 70 CDIDRP CC[C@@](C)(O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000160845892 358774569 /nfs/dbraw/zinc/77/45/69/358774569.db2.gz AJTMZLIIHXUBDL-HLLBOEOZSA-N 2 0 298.471 1.969 20 70 CDIDRP CC[N@H+](CCNC(=O)C(CC)(CC)C[NH3+])C(C)C ZINC000161280722 377545955 /nfs/dbraw/zinc/54/59/55/377545955.db2.gz ADVNYAYTFYNPHZ-UHFFFAOYSA-N 2 0 257.422 1.598 20 70 CDIDRP CC(C)OCC[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161355673 527962512 /nfs/dbraw/zinc/96/25/12/527962512.db2.gz BTDKVERIZOICHE-UHFFFAOYSA-N 2 0 297.487 1.905 20 70 CDIDRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000217924527 536426955 /nfs/dbraw/zinc/42/69/55/536426955.db2.gz LLDVOGSQDFGZKW-WOSRLPQWSA-N 2 0 289.423 1.865 20 70 CDIDRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000159897925 363427002 /nfs/dbraw/zinc/42/70/02/363427002.db2.gz MPFQGHRUKFBVQG-UONOGXRCSA-N 2 0 299.484 1.414 20 70 CDIDRP C[C@H](C(=O)NC1CCCCC1)N1CCC[C@@H](C[NH3+])C1 ZINC000217559221 140163595 /nfs/dbraw/zinc/16/35/95/140163595.db2.gz IBLWRYJKKJTRAR-OLZOCXBDSA-N 2 0 267.417 1.495 20 70 CDIDRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC)CC1 ZINC000159805285 361866033 /nfs/dbraw/zinc/86/60/33/361866033.db2.gz URFVBPISMNWERV-AWEZNQCLSA-N 2 0 284.448 1.454 20 70 CDIDRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160233207 364322533 /nfs/dbraw/zinc/32/25/33/364322533.db2.gz HTIRDJSRBOIHNR-CABCVRRESA-N 2 0 275.396 1.629 20 70 CDIDRP C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000161265367 377200969 /nfs/dbraw/zinc/20/09/69/377200969.db2.gz ZETDEIPKPILDTA-MJBXVCDLSA-N 2 0 267.417 1.223 20 70 CDIDRP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161083638 292799791 /nfs/dbraw/zinc/79/97/91/292799791.db2.gz UKEOFZMIFSLJCM-YCPHGPKFSA-N 2 0 289.423 1.923 20 70 CDIDRP C[C@@H](CNC(=O)[C@@H]([NH3+])Cc1ccccc1)[NH+]1CCCC1 ZINC000161014843 362480695 /nfs/dbraw/zinc/48/06/95/362480695.db2.gz KCINDOPIAKLRFV-ZFWWWQNUSA-N 2 0 275.396 1.157 20 70 CDIDRP NC(=O)c1cccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000216625532 364042717 /nfs/dbraw/zinc/04/27/17/364042717.db2.gz XHBAVBNKOVUULU-GJZGRUSLSA-N 2 0 273.380 1.502 20 70 CDIDRP COC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C(C)C ZINC000160253082 147714226 /nfs/dbraw/zinc/71/42/26/147714226.db2.gz QGSQRWBKEVJYHY-OAHLLOKOSA-N 2 0 271.449 1.273 20 70 CDIDRP Cc1occc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000161474339 526823377 /nfs/dbraw/zinc/82/33/77/526823377.db2.gz ABTOFWWJVWOISW-UHFFFAOYSA-N 2 0 265.401 1.657 20 70 CDIDRP CCC[NH+]1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159912283 528198861 /nfs/dbraw/zinc/19/88/61/528198861.db2.gz MWJZSXFDMAGTNZ-UHFFFAOYSA-N 2 0 296.459 1.598 20 70 CDIDRP CC(=O)NC1CCC([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000161278062 358794068 /nfs/dbraw/zinc/79/40/68/358794068.db2.gz IACCICFVPLOSID-WLYUNCDWSA-N 2 0 279.428 1.508 20 70 CDIDRP [NH3+]CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000160129369 237170511 /nfs/dbraw/zinc/17/05/11/237170511.db2.gz JWMQJNGNYGZKOE-OAHLLOKOSA-N 2 0 275.396 1.506 20 70 CDIDRP CC(C)(C[NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159660460 527067173 /nfs/dbraw/zinc/06/71/73/527067173.db2.gz LOQLBFVDMZMBPL-UHFFFAOYSA-N 2 0 255.406 1.400 20 70 CDIDRP C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)OCC1CC1 ZINC000160410053 527477977 /nfs/dbraw/zinc/47/79/77/527477977.db2.gz FZTHFOBWCPAHJR-UHFFFAOYSA-N 2 0 282.428 1.457 20 70 CDIDRP CCOCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000159960034 528662400 /nfs/dbraw/zinc/66/24/00/528662400.db2.gz IVRSEFWMWOWVFO-IRXDYDNUSA-N 2 0 297.487 1.903 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1 ZINC000159823528 361875054 /nfs/dbraw/zinc/87/50/54/361875054.db2.gz PRQMQHANHKFPKS-ZDUSSCGKSA-N 2 0 282.432 1.206 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159628293 285214527 /nfs/dbraw/zinc/21/45/27/285214527.db2.gz VJNUYWXZXITZTP-OAHLLOKOSA-N 2 0 296.459 1.598 20 70 CDIDRP C[C@@H](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)C1CC[NH2+]CC1 ZINC000159623322 361756681 /nfs/dbraw/zinc/75/66/81/361756681.db2.gz KVPVAGFMLMJQBA-AEGPPILISA-N 2 0 279.428 1.365 20 70 CDIDRP C[N@H+](CCCO)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161125204 529893608 /nfs/dbraw/zinc/89/36/08/529893608.db2.gz PHTLEQKDCGCTOP-UHFFFAOYSA-N 2 0 297.487 1.641 20 70 CDIDRP CC(C)(C)NC(=O)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000159872936 534700408 /nfs/dbraw/zinc/70/04/08/534700408.db2.gz BFRSGDJEXZIJDX-UHFFFAOYSA-N 2 0 290.411 1.555 20 70 CDIDRP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000217636422 539072892 /nfs/dbraw/zinc/07/28/92/539072892.db2.gz QAXLTAGRHDNYQR-BPUTZDHNSA-N 2 0 265.445 1.933 20 70 CDIDRP CC[C@@H](COC)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160273337 362219288 /nfs/dbraw/zinc/21/92/88/362219288.db2.gz OONQHLBYTALTLL-ZDUSSCGKSA-N 2 0 257.422 1.027 20 70 CDIDRP C[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCCC1 ZINC000161043312 362520807 /nfs/dbraw/zinc/52/08/07/362520807.db2.gz COUOKFYIRAHLMI-HIFRSBDPSA-N 2 0 275.396 1.677 20 70 CDIDRP CC(=O)NC[C@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000159780271 363297993 /nfs/dbraw/zinc/29/79/93/363297993.db2.gz CIXZDRARLHUBLD-MRXNPFEDSA-N 2 0 292.427 1.820 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000159453091 279431198 /nfs/dbraw/zinc/43/11/98/279431198.db2.gz XDFSVYLCGVJOJZ-LSDHHAIUSA-N 2 0 298.475 1.841 20 70 CDIDRP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](CC2CC2)CC1 ZINC000161435359 523848512 /nfs/dbraw/zinc/84/85/12/523848512.db2.gz ZXUICRVSFPZWFZ-HNNXBMFYSA-N 2 0 251.418 1.498 20 70 CDIDRP C(CN1CC[NH+](C2CC2)CC1)C[NH+]1CCCCC1 ZINC000160713683 527480932 /nfs/dbraw/zinc/48/09/32/527480932.db2.gz HLOVDVJIOSDMGL-UHFFFAOYSA-N 2 0 251.418 1.642 20 70 CDIDRP C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000161096946 362587221 /nfs/dbraw/zinc/58/72/21/362587221.db2.gz NEYFGMIRZXWHSS-RBSFLKMASA-N 2 0 281.444 1.613 20 70 CDIDRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000160579511 364376842 /nfs/dbraw/zinc/37/68/42/364376842.db2.gz FSERBAOQIKOZRU-HOTGVXAUSA-N 2 0 289.423 1.890 20 70 CDIDRP COCCOC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161146315 237192609 /nfs/dbraw/zinc/19/26/09/237192609.db2.gz LGNSCFIDGKSWKC-UHFFFAOYSA-N 2 0 284.444 1.990 20 70 CDIDRP CO[C@@H]1CCN(Cc2nc(C)ccc2O)[C@@H](C[NH3+])C1 ZINC000161032294 360511321 /nfs/dbraw/zinc/51/13/21/360511321.db2.gz MDCURBDNJHXMJU-VXGBXAGGSA-N 2 0 265.357 1.034 20 70 CDIDRP C[NH+]1CCC(CCNC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000161398162 523759729 /nfs/dbraw/zinc/75/97/29/523759729.db2.gz SKZXGQJVTSTVAQ-AWEZNQCLSA-N 2 0 279.428 1.224 20 70 CDIDRP C[N@H+](CC(=O)NCC[NH+]1CCCCCC1)[C@H]1CCSC1 ZINC000159868179 363385811 /nfs/dbraw/zinc/38/58/11/363385811.db2.gz NRLDVFGBKJQGDF-AWEZNQCLSA-N 2 0 299.484 1.416 20 70 CDIDRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159615836 284533876 /nfs/dbraw/zinc/53/38/76/284533876.db2.gz GMXLVYRZQCKJBJ-XHSDSOJGSA-N 2 0 285.391 1.054 20 70 CDIDRP CC(=O)NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161298818 519670767 /nfs/dbraw/zinc/67/07/67/519670767.db2.gz OHRQDKQXLYACEF-INIZCTEOSA-N 2 0 281.444 1.711 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC1 ZINC000159885754 539114983 /nfs/dbraw/zinc/11/49/83/539114983.db2.gz MKGKLDLMFYWUJO-HNNXBMFYSA-N 2 0 294.443 1.208 20 70 CDIDRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000160579704 284786704 /nfs/dbraw/zinc/78/67/04/284786704.db2.gz FSERBAOQIKOZRU-CVEARBPZSA-N 2 0 289.423 1.890 20 70 CDIDRP CC[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CC1 ZINC000217435756 276131440 /nfs/dbraw/zinc/13/14/40/276131440.db2.gz YLEOUDBONFGEMA-XHSDSOJGSA-N 2 0 265.445 1.981 20 70 CDIDRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000161080259 482858194 /nfs/dbraw/zinc/85/81/94/482858194.db2.gz LTCKQIBMMUETQJ-KBPBESRZSA-N 2 0 269.433 1.598 20 70 CDIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CCOC1 ZINC000160681849 525434176 /nfs/dbraw/zinc/43/41/76/525434176.db2.gz VEHVEKVQMIMVAQ-RBSFLKMASA-N 2 0 270.417 1.238 20 70 CDIDRP CCC([NH3+])(CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000160474085 528925602 /nfs/dbraw/zinc/92/56/02/528925602.db2.gz LDSQQZZJSNIKBJ-UHFFFAOYSA-N 2 0 269.433 1.741 20 70 CDIDRP CC(C)[NH+]1CCC(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000159571167 528986597 /nfs/dbraw/zinc/98/65/97/528986597.db2.gz VKLUAJBNOMMQHC-UHFFFAOYSA-N 2 0 281.444 1.885 20 70 CDIDRP CSC[C@@H](CCO)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000160416810 346129033 /nfs/dbraw/zinc/12/90/33/346129033.db2.gz DAPHVPPALSTLNP-WCQYABFASA-N 2 0 260.447 1.420 20 70 CDIDRP O=C(C[C@H]1CCC[NH2+]1)NCC[NH2+]C1CCCCCC1 ZINC000159705389 361804887 /nfs/dbraw/zinc/80/48/87/361804887.db2.gz AORZNTKIWGALOL-CQSZACIVSA-N 2 0 267.417 1.557 20 70 CDIDRP CC[NH+](CC)CCSCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000160993820 347041359 /nfs/dbraw/zinc/04/13/59/347041359.db2.gz ZPPNIAYCWUGITC-QWHCGFSZSA-N 2 0 287.473 1.448 20 70 CDIDRP c1cc(N2CC[NH+](C[C@@H]3CCCCO3)CC2)cc[nH+]1 ZINC000161318777 538853736 /nfs/dbraw/zinc/85/37/36/538853736.db2.gz GVGRECMDPQEYAF-HNNXBMFYSA-N 2 0 261.369 1.773 20 70 CDIDRP Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CC2 ZINC000160424780 391466074 /nfs/dbraw/zinc/46/60/74/391466074.db2.gz BVRQSZNGXHFWTB-IMIFBBOLSA-N 2 0 277.416 1.220 20 70 CDIDRP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000160289823 391658682 /nfs/dbraw/zinc/65/86/82/391658682.db2.gz KVZDMONUKKDIEH-ZIAGYGMSSA-N 2 0 261.369 1.239 20 70 CDIDRP CC[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000161264987 523494147 /nfs/dbraw/zinc/49/41/47/523494147.db2.gz KCXCCCARCCCVJH-CABCVRRESA-N 2 0 254.418 1.955 20 70 CDIDRP C[NH+]1CCN(CCC[NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000159634994 362354545 /nfs/dbraw/zinc/35/45/45/362354545.db2.gz HXAYRPIRAPCJBQ-UHFFFAOYSA-N 2 0 283.366 1.692 20 70 CDIDRP C[C@H](O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161446774 364494033 /nfs/dbraw/zinc/49/40/33/364494033.db2.gz AMCIESTZLZTAOB-GJZGRUSLSA-N 2 0 254.418 1.955 20 70 CDIDRP CCC[NH+](CCC)CCCC(=O)NCC(C)(C)[NH3+] ZINC000160001078 376997368 /nfs/dbraw/zinc/99/73/68/376997368.db2.gz AXYQIAOBLNKOGK-UHFFFAOYSA-N 2 0 257.422 1.742 20 70 CDIDRP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])cc2c1OCO2 ZINC000159989533 361991376 /nfs/dbraw/zinc/99/13/76/361991376.db2.gz TUQORLCHXFQTEH-UHFFFAOYSA-N 2 0 280.368 1.841 20 70 CDIDRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])COC)cc1 ZINC000159423109 362321329 /nfs/dbraw/zinc/32/13/29/362321329.db2.gz HIBXOSRIEPHSFA-OAHLLOKOSA-N 2 0 293.411 1.118 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000159699208 276366809 /nfs/dbraw/zinc/36/68/09/276366809.db2.gz QBYKWQNPQXPYET-HNNXBMFYSA-N 2 0 296.459 1.456 20 70 CDIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CCOC1 ZINC000160737821 288039037 /nfs/dbraw/zinc/03/90/37/288039037.db2.gz WGZPWJBPIMHFOQ-XHSDSOJGSA-N 2 0 284.444 1.628 20 70 CDIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160210092 363758257 /nfs/dbraw/zinc/75/82/57/363758257.db2.gz ZKXXBQQVKRXHSM-HLLBOEOZSA-N 2 0 296.503 1.331 20 70 CDIDRP [NH3+]Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217805017 367258294 /nfs/dbraw/zinc/25/82/94/367258294.db2.gz JTMJAEMSBATRFM-GJZGRUSLSA-N 2 0 273.380 1.502 20 70 CDIDRP CC(C)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161245183 377521377 /nfs/dbraw/zinc/52/13/77/377521377.db2.gz KSHSQPAXEQSQEA-UHFFFAOYSA-N 2 0 253.434 1.888 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000159825286 279285372 /nfs/dbraw/zinc/28/53/72/279285372.db2.gz WSTNITCXDYPFEL-UHFFFAOYSA-N 2 0 296.459 1.598 20 70 CDIDRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000159525424 528896601 /nfs/dbraw/zinc/89/66/01/528896601.db2.gz MWRHETPGDLQJCI-UONOGXRCSA-N 2 0 296.459 1.593 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000159699069 285210038 /nfs/dbraw/zinc/21/00/38/285210038.db2.gz QBYKWQNPQXPYET-OAHLLOKOSA-N 2 0 296.459 1.456 20 70 CDIDRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000161090431 276173479 /nfs/dbraw/zinc/17/34/79/276173479.db2.gz XYDYKODGINUVCN-OLZOCXBDSA-N 2 0 255.406 1.173 20 70 CDIDRP C[C@H](CC(=O)NCC1([NH3+])CCCCC1)C1CC[NH2+]CC1 ZINC000159687604 298299528 /nfs/dbraw/zinc/29/95/28/298299528.db2.gz IQIATFKXSPTVPD-CYBMUJFWSA-N 2 0 281.444 1.790 20 70 CDIDRP C[NH+]1CCC(CCNC(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000160812527 523757512 /nfs/dbraw/zinc/75/75/12/523757512.db2.gz RKVLRLRNKPSMPZ-CQSZACIVSA-N 2 0 267.417 1.224 20 70 CDIDRP [NH3+]C1(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000159643562 361760060 /nfs/dbraw/zinc/76/00/60/361760060.db2.gz JSUKPWJPACOOQR-AGUYFDCRSA-N 2 0 279.428 1.685 20 70 CDIDRP C[NH+]1CCC(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000159751919 361826649 /nfs/dbraw/zinc/82/66/49/361826649.db2.gz KEKVJVXSIBRBNY-UHFFFAOYSA-N 2 0 253.390 1.106 20 70 CDIDRP COCCOCCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000159903617 237160111 /nfs/dbraw/zinc/16/01/11/237160111.db2.gz OXZAKOFFHPQWAV-HUUCEWRRSA-N 2 0 270.417 1.646 20 70 CDIDRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNC(=O)C1CC1 ZINC000160717224 296001812 /nfs/dbraw/zinc/00/18/12/296001812.db2.gz AKGGLSJWBKBCHV-GXTWGEPZSA-N 2 0 267.417 1.413 20 70 CDIDRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000159912758 277582314 /nfs/dbraw/zinc/58/23/14/277582314.db2.gz AJGLHROHJLTMCT-GASCZTMLSA-N 2 0 279.428 1.460 20 70 CDIDRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000160579806 279140751 /nfs/dbraw/zinc/14/07/51/279140751.db2.gz FSERBAOQIKOZRU-HZPDHXFCSA-N 2 0 289.423 1.890 20 70 CDIDRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159860049 361884812 /nfs/dbraw/zinc/88/48/12/361884812.db2.gz COFLMSNGVBZSFX-AWEZNQCLSA-N 2 0 265.401 1.119 20 70 CDIDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)O)[C@H](C)C1 ZINC000160609297 364087428 /nfs/dbraw/zinc/08/74/28/364087428.db2.gz QAUJDEXTDMQEDD-ZIAGYGMSSA-N 2 0 272.433 1.484 20 70 CDIDRP COc1ccccc1C[N@H+](CCO)CCn1ccnc1 ZINC000159805814 364266586 /nfs/dbraw/zinc/26/65/86/364266586.db2.gz JQCUWWSMHHSKNC-UHFFFAOYSA-N 2 0 275.352 1.386 20 70 CDIDRP CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000161011296 364607607 /nfs/dbraw/zinc/60/76/07/364607607.db2.gz QYNIZCPCZOWMIM-AWEZNQCLSA-N 2 0 269.433 1.421 20 70 CDIDRP C[C@@H](NC(=O)CN1CCC[C@@H](C[NH3+])C1)c1cccs1 ZINC000217544460 140162724 /nfs/dbraw/zinc/16/27/24/140162724.db2.gz MRUQZRIHYPNVAB-NEPJUHHUSA-N 2 0 281.425 1.596 20 70 CDIDRP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000161181250 276366338 /nfs/dbraw/zinc/36/63/38/276366338.db2.gz GFEHCAGRMJFXMR-SOUVJXGZSA-N 2 0 253.434 1.791 20 70 CDIDRP C[C@H](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CC[NH2+]CC1 ZINC000161417381 482878447 /nfs/dbraw/zinc/87/84/47/482878447.db2.gz VUZLDEMPQOQDDX-XBFCOCLRSA-N 2 0 267.417 1.398 20 70 CDIDRP c1cc(N2CC[NH+](C[C@H]3CCCCO3)CC2)cc[nH+]1 ZINC000161318892 539117539 /nfs/dbraw/zinc/11/75/39/539117539.db2.gz GVGRECMDPQEYAF-OAHLLOKOSA-N 2 0 261.369 1.773 20 70 CDIDRP C[NH2+]CC1CC[NH+](Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000159980121 362385843 /nfs/dbraw/zinc/38/58/43/362385843.db2.gz PCYNKTSLMAVSPV-UHFFFAOYSA-N 2 0 292.379 1.855 20 70 CDIDRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000159528302 361730348 /nfs/dbraw/zinc/73/03/48/361730348.db2.gz GQTUNNLPFVKFTE-UHFFFAOYSA-N 2 0 296.459 1.596 20 70 CDIDRP CC(C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[NH+](C)C ZINC000161134678 292800584 /nfs/dbraw/zinc/80/05/84/292800584.db2.gz YUWJMZJPGUMGSI-ZDUSSCGKSA-N 2 0 283.460 1.998 20 70 CDIDRP C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCCCC1 ZINC000160768695 482823400 /nfs/dbraw/zinc/82/34/00/482823400.db2.gz JFQKIYHNJZBVBG-HZSPNIEDSA-N 2 0 267.417 1.637 20 70 CDIDRP