smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000160555621 282126899 /nfs/dbraw/zinc/12/68/99/282126899.db2.gz FCJZLQSKWLULOW-GDBMZVCRSA-N 1 0 298.434 3.177 20 70 CGIDRO CC(C)CC[C@@H](NC(=O)CC[NH2+]C(C)C)C(C)(C)C ZINC000160072061 346169857 /nfs/dbraw/zinc/16/98/57/346169857.db2.gz MKXNVULNGVCDJL-CQSZACIVSA-N 1 0 270.461 3.342 20 70 CGIDRO FC(F)CN1CCC([NH2+]C[C@@H]2CCc3ccccc32)CC1 ZINC000160976644 346173604 /nfs/dbraw/zinc/17/36/04/346173604.db2.gz LNSKRKVZPXKNIM-AWEZNQCLSA-N 1 0 294.389 3.036 20 70 CGIDRO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000160931866 346173719 /nfs/dbraw/zinc/17/37/19/346173719.db2.gz GJDTVMSJFDOIQE-CVEARBPZSA-N 1 0 281.371 3.062 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1(C)C ZINC000217901519 346291995 /nfs/dbraw/zinc/29/19/95/346291995.db2.gz GODVSDLYNRIAQT-CHWSQXEVSA-N 1 0 269.335 3.258 20 70 CGIDRO COc1cc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000160040740 188452807 /nfs/dbraw/zinc/45/28/07/188452807.db2.gz LZTAKDPIZFZEMJ-AEGPPILISA-N 1 0 278.371 3.167 20 70 CGIDRO COc1ccccc1/C=C/C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160438060 188473003 /nfs/dbraw/zinc/47/30/03/188473003.db2.gz YNRHOLGTXWQWRW-PMGBHYCQSA-N 1 0 275.392 3.256 20 70 CGIDRO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000161234969 188516893 /nfs/dbraw/zinc/51/68/93/188516893.db2.gz QMWCDUOKXWRNMR-HNNXBMFYSA-N 1 0 287.407 3.157 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161465993 188529708 /nfs/dbraw/zinc/52/97/08/188529708.db2.gz UCCNKIAOSYZKIJ-JSGCOSHPSA-N 1 0 290.794 3.162 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000159366618 372136144 /nfs/dbraw/zinc/13/61/44/372136144.db2.gz PHXWYHZZFYSDTE-MRXNPFEDSA-N 1 0 288.435 3.438 20 70 CGIDRO CC[C@H]([NH2+]CC(=O)NCC(C)C)c1cccc(Cl)c1 ZINC000159381438 372138347 /nfs/dbraw/zinc/13/83/47/372138347.db2.gz FYWQIYRORFHSFU-AWEZNQCLSA-N 1 0 282.815 3.153 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)CCC(C)C)o1 ZINC000159431653 372143417 /nfs/dbraw/zinc/14/34/17/372143417.db2.gz GESAFYBJTQDDPM-UKRRQHHQSA-N 1 0 253.386 3.426 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000159444828 372144663 /nfs/dbraw/zinc/14/46/63/372144663.db2.gz QGWXMPVVJOTSEI-HNNXBMFYSA-N 1 0 251.345 3.389 20 70 CGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000159523272 372151979 /nfs/dbraw/zinc/15/19/79/372151979.db2.gz HOYZFKSYZQXKGP-QWRGUYRKSA-N 1 0 294.782 3.369 20 70 CGIDRO c1ccc(C[N@H+](CCOCC2CC2)C[C@H]2CCCO2)cc1 ZINC000159548804 372154248 /nfs/dbraw/zinc/15/42/48/372154248.db2.gz TVSOHIQESYALCP-GOSISDBHSA-N 1 0 289.419 3.094 20 70 CGIDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159811040 372182864 /nfs/dbraw/zinc/18/28/64/372182864.db2.gz BWCBGUFPYQWXHA-KRWDZBQOSA-N 1 0 289.419 3.129 20 70 CGIDRO C[NH+](C)CC1CCC(Nc2nc(C(C)(C)C)ns2)CC1 ZINC000160054562 372208773 /nfs/dbraw/zinc/20/87/73/372208773.db2.gz OHASTFQYPWXVSP-UHFFFAOYSA-N 1 0 296.484 3.368 20 70 CGIDRO CC[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160111037 372213835 /nfs/dbraw/zinc/21/38/35/372213835.db2.gz LUAXXWBHRJLASZ-AWEZNQCLSA-N 1 0 280.456 3.003 20 70 CGIDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160220005 372226166 /nfs/dbraw/zinc/22/61/66/372226166.db2.gz VYHUDTZGMQJHGM-INIZCTEOSA-N 1 0 280.456 3.195 20 70 CGIDRO CCCc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160252035 372230071 /nfs/dbraw/zinc/23/00/71/372230071.db2.gz KZJXDDJRNJNGKW-BBRMVZONSA-N 1 0 281.465 3.404 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)c2cnccn2)cc1 ZINC000160333100 372239138 /nfs/dbraw/zinc/23/91/38/372239138.db2.gz RCMRNSCAUSOIDE-AWEZNQCLSA-N 1 0 285.391 3.330 20 70 CGIDRO CC[C@H](C[NH2+][C@H](CC)[C@@H]1CCOC1)Oc1ccccc1F ZINC000160331137 372239188 /nfs/dbraw/zinc/23/91/88/372239188.db2.gz XHDPNUORHSDRME-IIAWOOMASA-N 1 0 295.398 3.388 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCn1ccnc1 ZINC000159887908 372191003 /nfs/dbraw/zinc/19/10/03/372191003.db2.gz LCNSFTHZANOEAC-RAXLEYEMSA-N 1 0 275.783 3.230 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159931295 372194587 /nfs/dbraw/zinc/19/45/87/372194587.db2.gz VWKAXVVKHJLULF-ZIAGYGMSSA-N 1 0 299.393 3.323 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927883 372195185 /nfs/dbraw/zinc/19/51/85/372195185.db2.gz NOOMFIRROKXLNW-ZIAGYGMSSA-N 1 0 270.376 3.381 20 70 CGIDRO COCC[N@H+](Cc1ccccc1)Cc1cccnc1C ZINC000160452028 372247195 /nfs/dbraw/zinc/24/71/95/372247195.db2.gz IWTARTLGCSWFDL-UHFFFAOYSA-N 1 0 270.376 3.039 20 70 CGIDRO CC[C@H](C)Oc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160519851 372254164 /nfs/dbraw/zinc/25/41/64/372254164.db2.gz GLWYJWKTBKAZBB-ZDUSSCGKSA-N 1 0 292.423 3.111 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584752 372259554 /nfs/dbraw/zinc/25/95/54/372259554.db2.gz PQOBGWPTMUUGMZ-KGLIPLIRSA-N 1 0 292.423 3.390 20 70 CGIDRO CCc1cc(=O)[nH]c(C[NH2+][C@H](c2ccccc2)C(C)C)n1 ZINC000160586434 372261157 /nfs/dbraw/zinc/26/11/57/372261157.db2.gz WCPJKCXBTFCFLI-KRWDZBQOSA-N 1 0 285.391 3.232 20 70 CGIDRO CC(C)[NH+]1CCC(NCc2cc(F)cc(Cl)c2)CC1 ZINC000160824029 372279172 /nfs/dbraw/zinc/27/91/72/372279172.db2.gz KCCUEZRFTVXJLU-UHFFFAOYSA-N 1 0 284.806 3.442 20 70 CGIDRO Fc1cc(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160892171 372285590 /nfs/dbraw/zinc/28/55/90/372285590.db2.gz FFVZMEULRWDXRV-LLVKDONJSA-N 1 0 282.790 3.053 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000161102610 372302402 /nfs/dbraw/zinc/30/24/02/372302402.db2.gz BDUJJUASKILFTO-QWHCGFSZSA-N 1 0 262.397 3.103 20 70 CGIDRO CN(Cc1c[nH]nc1C(C)(C)C)Cc1ccc(F)cc1 ZINC000161148310 372306415 /nfs/dbraw/zinc/30/64/15/372306415.db2.gz SGTXTOWTAKZCKL-UHFFFAOYSA-N 1 0 275.371 3.478 20 70 CGIDRO CCC[C@@H](CC)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161252359 372312704 /nfs/dbraw/zinc/31/27/04/372312704.db2.gz CHAJRUWVQRVWIL-MRXNPFEDSA-N 1 0 297.487 3.329 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1F ZINC000161401000 372322361 /nfs/dbraw/zinc/32/23/61/372322361.db2.gz HVIFOBSGSGRACI-UKRRQHHQSA-N 1 0 273.351 3.252 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)C2CCCC2)c1 ZINC000161436865 372324994 /nfs/dbraw/zinc/32/49/94/372324994.db2.gz AQXFGCZWJAJHDK-CYBMUJFWSA-N 1 0 277.408 3.415 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455494 372325124 /nfs/dbraw/zinc/32/51/24/372325124.db2.gz XBKQJBSIWDNBIE-TZMCWYRMSA-N 1 0 291.341 3.392 20 70 CGIDRO CC[C@H](C)[C@@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160932031 321860150 /nfs/dbraw/zinc/86/01/50/321860150.db2.gz KYWHOEMYZXTCMS-LSDHHAIUSA-N 1 0 297.487 3.184 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000217376727 376173004 /nfs/dbraw/zinc/17/30/04/376173004.db2.gz WMCWAHAGPSKFRC-CQSZACIVSA-N 1 0 271.408 3.055 20 70 CGIDRO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccccc1 ZINC000217687809 376178916 /nfs/dbraw/zinc/17/89/16/376178916.db2.gz AJIFWQUCXMDEPG-BBWFWOEESA-N 1 0 258.409 3.354 20 70 CGIDRO c1cc2cccc(C[NH2+]CCOC3CCCC3)c2[nH]1 ZINC000218156470 376184710 /nfs/dbraw/zinc/18/47/10/376184710.db2.gz QJPZVCJHKFQUDN-UHFFFAOYSA-N 1 0 258.365 3.217 20 70 CGIDRO C[C@@H]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000218460515 376186359 /nfs/dbraw/zinc/18/63/59/376186359.db2.gz GDZOCIUQGYHYGB-VNQPRFMTSA-N 1 0 274.408 3.019 20 70 CGIDRO C[C@H]([NH2+]Cc1ccc(Br)cn1)C1CCC1 ZINC000160178140 542153399 /nfs/dbraw/zinc/15/33/99/542153399.db2.gz GTNQHEQNERVARX-VIFPVBQESA-N 1 0 269.186 3.122 20 70 CGIDRO COC[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CC1 ZINC000160510230 542155310 /nfs/dbraw/zinc/15/53/10/542155310.db2.gz UQAUZAZMCKYLPA-OAHLLOKOSA-N 1 0 277.433 3.326 20 70 CGIDRO CC[C@H](Cc1ccccc1)N(CC)C(=O)CC1([NH3+])CCC1 ZINC000161437417 542158958 /nfs/dbraw/zinc/15/89/58/542158958.db2.gz GOLAQWFSGGAMGQ-MRXNPFEDSA-N 1 0 288.435 3.128 20 70 CGIDRO C[C@H](c1ccccc1Cl)[N@H+](C)CCn1ccnc1 ZINC000159763130 392580309 /nfs/dbraw/zinc/58/03/09/392580309.db2.gz AGQJQPDKWKTKJL-GFCCVEGCSA-N 1 0 263.772 3.230 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000218040941 392996513 /nfs/dbraw/zinc/99/65/13/392996513.db2.gz WRIQNYNKHARKAM-VBNZEHGJSA-N 1 0 293.407 3.312 20 70 CGIDRO Cc1cc(NCCCOCC2CC2)nc(C(C)C)n1 ZINC000218649565 392998293 /nfs/dbraw/zinc/99/82/93/392998293.db2.gz QYYKJMPZPMSSQV-UHFFFAOYSA-N 1 0 263.385 3.137 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000160436964 165480978 /nfs/dbraw/zinc/48/09/78/165480978.db2.gz OZZNLYZFYZSTSM-IRXDYDNUSA-N 1 0 293.476 3.020 20 70 CGIDRO Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000217540794 270085292 /nfs/dbraw/zinc/08/52/92/270085292.db2.gz JNDJXGQEXDSVIH-KYHPRHEASA-N 1 0 291.435 3.149 20 70 CGIDRO CCN1CCC[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876476 270085393 /nfs/dbraw/zinc/08/53/93/270085393.db2.gz JRPALIGFNOLCPH-IRXDYDNUSA-N 1 0 276.399 3.351 20 70 CGIDRO C[N@H+](C[C@@H](O)Cc1ccccc1)C1CCCCCC1 ZINC000218770609 270085499 /nfs/dbraw/zinc/08/54/99/270085499.db2.gz SXRKMLLXHLWLBV-KRWDZBQOSA-N 1 0 261.409 3.245 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000218781723 270085611 /nfs/dbraw/zinc/08/56/11/270085611.db2.gz XLJLTAHJHJBFRE-CWRNSKLLSA-N 1 0 279.424 3.067 20 70 CGIDRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1 ZINC000160296731 276025733 /nfs/dbraw/zinc/02/57/33/276025733.db2.gz VXVWKTKZBDFZRU-HZPDHXFCSA-N 1 0 284.407 3.032 20 70 CGIDRO COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000159362347 278054239 /nfs/dbraw/zinc/05/42/39/278054239.db2.gz HQQRKJRDNSEWID-HUUCEWRRSA-N 1 0 297.402 3.020 20 70 CGIDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cncc(F)c1 ZINC000160412482 278260313 /nfs/dbraw/zinc/26/03/13/278260313.db2.gz IHODBVOJARANFT-GUYCJALGSA-N 1 0 293.430 3.382 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539684 278371211 /nfs/dbraw/zinc/37/12/11/278371211.db2.gz RGAKDKWHGVPGOX-IAQYHMDHSA-N 1 0 292.398 3.096 20 70 CGIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](C)C(C)C ZINC000160901761 279004007 /nfs/dbraw/zinc/00/40/07/279004007.db2.gz DBUKXXIQKBQLMS-GJZGRUSLSA-N 1 0 295.471 3.079 20 70 CGIDRO CC[NH+](CC)CCSc1nc(C(C)(C)C)ns1 ZINC000159735100 321839891 /nfs/dbraw/zinc/83/98/91/321839891.db2.gz UNLAHRPVCKLYCZ-UHFFFAOYSA-N 1 0 273.471 3.270 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1(CC)CC ZINC000161302332 321866004 /nfs/dbraw/zinc/86/60/04/321866004.db2.gz RKPDDOUQKJGONY-NWANDNLSSA-N 1 0 279.428 3.055 20 70 CGIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cncs1 ZINC000160119328 533855423 /nfs/dbraw/zinc/85/54/23/533855423.db2.gz TUCMGRHCYHPCGQ-LBPRGKRZSA-N 1 0 293.411 3.065 20 70 CGIDRO CC(C)OCC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478404 519768310 /nfs/dbraw/zinc/76/83/10/519768310.db2.gz BORYXIDJVWDZLB-KRWDZBQOSA-N 1 0 293.407 3.170 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160763524 521936362 /nfs/dbraw/zinc/93/63/62/521936362.db2.gz NUOXPPWNMDAHAT-RYUDHWBXSA-N 1 0 253.390 3.150 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]C[C@@H]2CCc3ccccc32)cn1 ZINC000160981914 523473379 /nfs/dbraw/zinc/47/33/79/523473379.db2.gz ZWYVQYHCWZRUMX-ZFWWWQNUSA-N 1 0 269.392 3.284 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000159860165 526312941 /nfs/dbraw/zinc/31/29/41/526312941.db2.gz OZBLUADDHJNXQB-UHFFFAOYSA-N 1 0 294.826 3.090 20 70 CGIDRO FC(F)(F)CC[N@@H+](Cc1cnc2ccccn12)CC1CC1 ZINC000161440534 527664732 /nfs/dbraw/zinc/66/47/32/527664732.db2.gz GFUHSQNYGUVITQ-UHFFFAOYSA-N 1 0 297.324 3.499 20 70 CGIDRO CCC[NH+]1CCC(NCc2cc(F)cc(Cl)c2)CC1 ZINC000160824172 528204883 /nfs/dbraw/zinc/20/48/83/528204883.db2.gz FQJRRDDLMJXJCA-UHFFFAOYSA-N 1 0 284.806 3.443 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000160079464 529344372 /nfs/dbraw/zinc/34/43/72/529344372.db2.gz QFODEDXSFKEGQS-NEPJUHHUSA-N 1 0 270.367 3.346 20 70 CGIDRO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000161081560 572337686 /nfs/dbraw/zinc/33/76/86/572337686.db2.gz GROTUHCGJAOAPU-MSOLQXFVSA-N 1 0 294.398 3.444 20 70 CGIDRO Fc1cc(Cl)cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161133076 572337943 /nfs/dbraw/zinc/33/79/43/572337943.db2.gz VPGFUDFJOZHUIT-CJNGLKHVSA-N 1 0 296.817 3.443 20 70 CGIDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000217619673 572394717 /nfs/dbraw/zinc/39/47/17/572394717.db2.gz ZEVJTEFPKDFIMC-ZNMIVQPWSA-N 1 0 293.407 3.048 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302178 282127139 /nfs/dbraw/zinc/12/71/39/282127139.db2.gz MGQWKLCXWUSOBZ-CXAGYDPISA-N 1 0 298.434 3.376 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000160060229 529690345 /nfs/dbraw/zinc/69/03/45/529690345.db2.gz RFHPJYWLPZOFDA-BLLLJJGKSA-N 1 0 264.388 3.133 20 70 CGIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000218276851 189714138 /nfs/dbraw/zinc/71/41/38/189714138.db2.gz DTHIHADINJYXRV-RRQGHBQHSA-N 1 0 277.408 3.261 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@](C)(O)CCC(C)C)CC2 ZINC000159363367 372136079 /nfs/dbraw/zinc/13/60/79/372136079.db2.gz CPQZKCQQXZCNAC-ZWKOTPCHSA-N 1 0 291.435 3.459 20 70 CGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ccccn1 ZINC000159386385 372137397 /nfs/dbraw/zinc/13/73/97/372137397.db2.gz RRLSQQLNNBHOSO-UHFFFAOYSA-N 1 0 283.419 3.082 20 70 CGIDRO C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCOCC(F)(F)F ZINC000159377009 372137730 /nfs/dbraw/zinc/13/77/30/372137730.db2.gz DXPCVFWZIMOAOI-RNCFNFMXSA-N 1 0 291.288 3.228 20 70 CGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccnc1 ZINC000159403623 372139207 /nfs/dbraw/zinc/13/92/07/372139207.db2.gz QTDWTBMKAKOONT-UHFFFAOYSA-N 1 0 283.419 3.082 20 70 CGIDRO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159464048 372146355 /nfs/dbraw/zinc/14/63/55/372146355.db2.gz CVEXZZWDKFXRHD-RISCZKNCSA-N 1 0 271.763 3.072 20 70 CGIDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCSC1 ZINC000159518122 372151875 /nfs/dbraw/zinc/15/18/75/372151875.db2.gz JKPFASMPMGFWKO-FZMZJTMJSA-N 1 0 296.411 3.028 20 70 CGIDRO c1cc2c(cccc2C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH]1 ZINC000159572024 372157701 /nfs/dbraw/zinc/15/77/01/372157701.db2.gz WVOHFQQIMWZUEM-OIISXLGYSA-N 1 0 282.387 3.215 20 70 CGIDRO CC1(C)CC(NCc2cc(F)cc(F)c2)CC(C)(C)[NH2+]1 ZINC000159617622 372161246 /nfs/dbraw/zinc/16/12/46/372161246.db2.gz DHRXODLHGVKDEK-UHFFFAOYSA-N 1 0 282.378 3.364 20 70 CGIDRO CCc1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000159696573 372170442 /nfs/dbraw/zinc/17/04/42/372170442.db2.gz LPFOIUBIXMKSAB-AAEUAGOBSA-N 1 0 250.411 3.470 20 70 CGIDRO C[C@H]([NH2+]CCO)c1ccc(SC2CCCC2)cc1 ZINC000159720384 372171750 /nfs/dbraw/zinc/17/17/50/372171750.db2.gz KIVOSRXPXNZULG-LBPRGKRZSA-N 1 0 265.422 3.364 20 70 CGIDRO C[N@H+](CCn1ccnc1)Cc1csc2ccccc12 ZINC000159744399 372175172 /nfs/dbraw/zinc/17/51/72/372175172.db2.gz KIHQOAZQASLFMZ-UHFFFAOYSA-N 1 0 271.389 3.230 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1cccc(F)c1)c1cnn(C)c1 ZINC000159748054 372175925 /nfs/dbraw/zinc/17/59/25/372175925.db2.gz VKQJOHGMYBMYAY-MRXNPFEDSA-N 1 0 275.371 3.233 20 70 CGIDRO C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160097708 372212130 /nfs/dbraw/zinc/21/21/30/372212130.db2.gz FDUFBCXOERTYKD-IINYFYTJSA-N 1 0 296.773 3.069 20 70 CGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](CC)C2CC2)cc1 ZINC000160117721 372214061 /nfs/dbraw/zinc/21/40/61/372214061.db2.gz NLBDISMVZFUHGL-QGZVFWFLSA-N 1 0 288.435 3.495 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)o1 ZINC000160136790 372216954 /nfs/dbraw/zinc/21/69/54/372216954.db2.gz KDJNLKJCEMDYQD-NHYWBVRUSA-N 1 0 279.405 3.462 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000160232365 372228020 /nfs/dbraw/zinc/22/80/20/372228020.db2.gz LFEDNCRQJYJLLN-TZMCWYRMSA-N 1 0 293.407 3.312 20 70 CGIDRO COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160326781 372239263 /nfs/dbraw/zinc/23/92/63/372239263.db2.gz TYPLSEMPQPIWCD-CHWSQXEVSA-N 1 0 263.381 3.303 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)n1 ZINC000159807706 372182883 /nfs/dbraw/zinc/18/28/83/372182883.db2.gz ZOADXENTSQSYEW-MSOLQXFVSA-N 1 0 282.387 3.261 20 70 CGIDRO C[N@H+](CCNCc1coc2ccccc12)C1CCCC1 ZINC000159823541 372184670 /nfs/dbraw/zinc/18/46/70/372184670.db2.gz BPCANDQUZULRKM-UHFFFAOYSA-N 1 0 272.392 3.397 20 70 CGIDRO CC[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159833882 372184872 /nfs/dbraw/zinc/18/48/72/372184872.db2.gz IDAVENHFCABAKH-KBXCAEBGSA-N 1 0 272.436 3.211 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159866948 372189312 /nfs/dbraw/zinc/18/93/12/372189312.db2.gz WIRNREPQIQAGES-STQMWFEESA-N 1 0 290.432 3.439 20 70 CGIDRO COc1ccc(C[NH2+]C2(C)CCC2)cc1OC(F)F ZINC000159922568 372195112 /nfs/dbraw/zinc/19/51/12/372195112.db2.gz NZMUVVWBYXTJEZ-UHFFFAOYSA-N 1 0 271.307 3.329 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000159971871 372199319 /nfs/dbraw/zinc/19/93/19/372199319.db2.gz HSRYURWWLOYMND-GFCCVEGCSA-N 1 0 282.815 3.153 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)COC)cc1OC ZINC000159975203 372200389 /nfs/dbraw/zinc/20/03/89/372200389.db2.gz HZEZJPUVOLJNFB-OCCSQVGLSA-N 1 0 281.396 3.170 20 70 CGIDRO CC[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160013425 372205285 /nfs/dbraw/zinc/20/52/85/372205285.db2.gz RDJUMYAXCAYAKB-NSHDSACASA-N 1 0 266.351 3.039 20 70 CGIDRO COCC[N@H+](Cc1ccsc1)Cc1ccccc1 ZINC000160453859 372247788 /nfs/dbraw/zinc/24/77/88/372247788.db2.gz BSCAPMDTVBJJSL-UHFFFAOYSA-N 1 0 261.390 3.397 20 70 CGIDRO CC[C@@H](C)Oc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160519742 372253475 /nfs/dbraw/zinc/25/34/75/372253475.db2.gz GLWYJWKTBKAZBB-CYBMUJFWSA-N 1 0 292.423 3.111 20 70 CGIDRO CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160506006 372253749 /nfs/dbraw/zinc/25/37/49/372253749.db2.gz IGTDIQQITRRAMC-MRXNPFEDSA-N 1 0 250.430 3.172 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000160527247 372255918 /nfs/dbraw/zinc/25/59/18/372255918.db2.gz NVLLLRQATRQASO-STQMWFEESA-N 1 0 287.407 3.352 20 70 CGIDRO CC[C@H]([NH2+]CCC(=O)OC(C)C)c1ccc(F)cc1F ZINC000160693268 372268273 /nfs/dbraw/zinc/26/82/73/372268273.db2.gz KZQORHVPJPKGTH-AWEZNQCLSA-N 1 0 285.334 3.347 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000160720890 372271172 /nfs/dbraw/zinc/27/11/72/372271172.db2.gz ZKQASOMWHLUKJW-VYDXJSESSA-N 1 0 286.419 3.094 20 70 CGIDRO FC(F)(F)c1cccnc1NCCCNc1ccccn1 ZINC000160765865 372273605 /nfs/dbraw/zinc/27/36/05/372273605.db2.gz XXSKUJDXPLDLFD-UHFFFAOYSA-N 1 0 296.296 3.410 20 70 CGIDRO CC[C@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000160819543 372279819 /nfs/dbraw/zinc/27/98/19/372279819.db2.gz RDUHRSZGXLVKEI-HNNXBMFYSA-N 1 0 294.370 3.097 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)CC)c1 ZINC000161102504 372302250 /nfs/dbraw/zinc/30/22/50/372302250.db2.gz BDUJJUASKILFTO-CHWSQXEVSA-N 1 0 262.397 3.103 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@@H](C(C)C)C1 ZINC000161213772 372309466 /nfs/dbraw/zinc/30/94/66/372309466.db2.gz ZGTPINZJQOUBGT-ZIAGYGMSSA-N 1 0 268.445 3.083 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000161207907 372309778 /nfs/dbraw/zinc/30/97/78/372309778.db2.gz HYXMARJMMLHYTA-UHFFFAOYSA-N 1 0 287.350 3.109 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CC[NH2+]C(C)C)C1 ZINC000161290108 372315012 /nfs/dbraw/zinc/31/50/12/372315012.db2.gz PXTLFUZGHCQTJU-HOTGVXAUSA-N 1 0 288.435 3.088 20 70 CGIDRO CSc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1F ZINC000161456050 372325079 /nfs/dbraw/zinc/32/50/79/372325079.db2.gz BQYFXAGRPURUCV-LLVKDONJSA-N 1 0 282.428 3.292 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNc1ncnc2sc(C)c(C)c21 ZINC000217366317 376172700 /nfs/dbraw/zinc/17/27/00/376172700.db2.gz SSZPMYHCQMIXRK-SNVBAGLBSA-N 1 0 292.452 3.450 20 70 CGIDRO COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000218125178 376184806 /nfs/dbraw/zinc/18/48/06/376184806.db2.gz QUQUPNJLLZSQBG-ZLIFDBKOSA-N 1 0 292.398 3.112 20 70 CGIDRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000159595962 542150546 /nfs/dbraw/zinc/15/05/46/542150546.db2.gz QGPBOZWJPDDPJN-JSGCOSHPSA-N 1 0 251.370 3.298 20 70 CGIDRO CCC[NH+]1CCC(Nc2ccc(F)c(OC)c2)CC1 ZINC000159923723 542151386 /nfs/dbraw/zinc/15/13/86/542151386.db2.gz AVEGYUMBRFGWSF-UHFFFAOYSA-N 1 0 266.360 3.121 20 70 CGIDRO C[C@@H](CCSc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160808115 542156256 /nfs/dbraw/zinc/15/62/56/542156256.db2.gz HQTOBUBYWSMVDZ-BBRMVZONSA-N 1 0 279.449 3.260 20 70 CGIDRO Cc1ccc(CN(C(=O)c2ccc(C[NH3+])o2)C2CC2)cc1C ZINC000160549662 542155098 /nfs/dbraw/zinc/15/50/98/542155098.db2.gz QIFLRSOUSYKNJE-UHFFFAOYSA-N 1 0 298.386 3.160 20 70 CGIDRO COc1cc(C)c(C[N@H+](C)Cc2ccccn2)cc1OC ZINC000218064719 392996472 /nfs/dbraw/zinc/99/64/72/392996472.db2.gz ZKXIDIPKUFXVID-UHFFFAOYSA-N 1 0 286.375 3.039 20 70 CGIDRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2C)c1 ZINC000218442724 270085513 /nfs/dbraw/zinc/08/55/13/270085513.db2.gz QRPXNXQEEHYSOP-IXDOHACOSA-N 1 0 291.435 3.151 20 70 CGIDRO COc1ccccc1[C@@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055513 278059316 /nfs/dbraw/zinc/05/93/16/278059316.db2.gz ARSNRRJLBKMKHQ-ILXRZTDVSA-N 1 0 276.424 3.219 20 70 CGIDRO Cc1c(C[NH2+][C@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000161215356 280227874 /nfs/dbraw/zinc/22/78/74/280227874.db2.gz ALEQPCJSYWDNAR-HNNXBMFYSA-N 1 0 275.783 3.159 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000160394610 321850866 /nfs/dbraw/zinc/85/08/66/321850866.db2.gz LJVICMQUHOVGNP-IRXDYDNUSA-N 1 0 295.492 3.266 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)c3cccnc23)CCO1 ZINC000160531877 321852747 /nfs/dbraw/zinc/85/27/47/321852747.db2.gz VKZJZKFNDJQTDV-CYBMUJFWSA-N 1 0 288.366 3.421 20 70 CGIDRO CC(C)C[NH+]1CCC(NC(=O)C(C)(C)C2CCCC2)CC1 ZINC000161366881 321866819 /nfs/dbraw/zinc/86/68/19/321866819.db2.gz OWSKKVRVTQEPKY-UHFFFAOYSA-N 1 0 294.483 3.439 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291808 520577921 /nfs/dbraw/zinc/57/79/21/520577921.db2.gz RUYHKXVJQVEZOE-JYJNAYRXSA-N 1 0 293.455 3.445 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)C(C)C ZINC000160807242 522831203 /nfs/dbraw/zinc/83/12/03/522831203.db2.gz SYHDGZUYRQOSEB-GFCCVEGCSA-N 1 0 253.390 3.150 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]CCCCc2nc(C)cs2)cn1 ZINC000160684133 523456000 /nfs/dbraw/zinc/45/60/00/523456000.db2.gz MSVXCXNXAJTICH-CYBMUJFWSA-N 1 0 292.452 3.341 20 70 CGIDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161067721 524097017 /nfs/dbraw/zinc/09/70/17/524097017.db2.gz PGPYXLKCKJJECK-OAHLLOKOSA-N 1 0 296.414 3.175 20 70 CGIDRO COc1ccccc1CCN(C)CCC[NH+]1CCCCC1 ZINC000161339250 524409604 /nfs/dbraw/zinc/40/96/04/524409604.db2.gz RMEXGVDRQNPMDG-UHFFFAOYSA-N 1 0 290.451 3.046 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)N(C)Cc1ccccc1 ZINC000160883880 524493269 /nfs/dbraw/zinc/49/32/69/524493269.db2.gz BHLILOHZNXTQLV-CABCVRRESA-N 1 0 260.425 3.285 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000160393965 525701267 /nfs/dbraw/zinc/70/12/67/525701267.db2.gz VMADDRGWTZAAHE-DLBZAZTESA-N 1 0 293.476 3.020 20 70 CGIDRO CCCCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000161356187 528307890 /nfs/dbraw/zinc/30/78/90/528307890.db2.gz OBMJBXNLNYGPIX-NVXWUHKLSA-N 1 0 288.435 3.376 20 70 CGIDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000159986419 529370921 /nfs/dbraw/zinc/37/09/21/529370921.db2.gz LVAFHEKHTLUPFL-UTUOFQBUSA-N 1 0 282.815 3.294 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000160555974 282117444 /nfs/dbraw/zinc/11/74/44/282117444.db2.gz FCJZLQSKWLULOW-HOCLYGCPSA-N 1 0 298.434 3.177 20 70 CGIDRO c1ccc(C[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232602 232248966 /nfs/dbraw/zinc/24/89/66/232248966.db2.gz GRXPFSWFQUVXSM-LJQANCHMSA-N 1 0 286.463 3.427 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159808892 346169428 /nfs/dbraw/zinc/16/94/28/346169428.db2.gz CGJQWFFHLZNWEO-AWEZNQCLSA-N 1 0 294.826 3.044 20 70 CGIDRO CCc1ccc([C@H](C)CC(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000160182767 346169950 /nfs/dbraw/zinc/16/99/50/346169950.db2.gz VVBVTQRHNJYRAA-OAHLLOKOSA-N 1 0 290.451 3.199 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046691 346174534 /nfs/dbraw/zinc/17/45/34/346174534.db2.gz VPGNHNTWYRTURJ-CZUORRHYSA-N 1 0 292.398 3.123 20 70 CGIDRO C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159964730 188449592 /nfs/dbraw/zinc/44/95/92/188449592.db2.gz KVCBYWHSTXVBCQ-ZLIFDBKOSA-N 1 0 287.428 3.479 20 70 CGIDRO CC(C)[NH+](CCSCc1nccs1)C(C)C ZINC000161058910 188505076 /nfs/dbraw/zinc/50/50/76/188505076.db2.gz BMSXXTBQDJEKHD-UHFFFAOYSA-N 1 0 258.456 3.495 20 70 CGIDRO c1cc2c(cc1[C@H]([NH2+][C@H]1CCSC1)C1CC1)OCCO2 ZINC000161123242 188509641 /nfs/dbraw/zinc/50/96/41/188509641.db2.gz JCVOGCJFXKLUSS-XJKSGUPXSA-N 1 0 291.416 3.004 20 70 CGIDRO COc1cc([C@@H](C)[NH2+]CCc2csc(C)n2)ccc1F ZINC000218229322 138493218 /nfs/dbraw/zinc/49/32/18/138493218.db2.gz IZORTFBFBYBJLV-SNVBAGLBSA-N 1 0 294.395 3.493 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@H+]2CCCOC(C)C)n1 ZINC000159779629 372179901 /nfs/dbraw/zinc/17/99/01/372179901.db2.gz GJUPFSHPUVWLCB-INIZCTEOSA-N 1 0 262.397 3.342 20 70 CGIDRO CC[C@H]([NH2+]CCc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000159454981 372144769 /nfs/dbraw/zinc/14/47/69/372144769.db2.gz JLVXCZYZSYHXJU-KRWDZBQOSA-N 1 0 271.408 3.320 20 70 CGIDRO C(=C/c1ccccc1)\C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159480983 372147182 /nfs/dbraw/zinc/14/71/82/372147182.db2.gz MLQNMOQZDIYCDP-QRUNAMSGSA-N 1 0 269.388 3.247 20 70 CGIDRO Cc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000159533119 372152355 /nfs/dbraw/zinc/15/23/55/372152355.db2.gz HOBOMRSTCUHFCX-KBMXLJTQSA-N 1 0 275.367 3.181 20 70 CGIDRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)N1CCc2ccccc2C1 ZINC000159800037 372181199 /nfs/dbraw/zinc/18/11/99/372181199.db2.gz CUBDRCAVJPXJGS-AWEZNQCLSA-N 1 0 284.447 3.211 20 70 CGIDRO COCC[C@@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000159553438 372155355 /nfs/dbraw/zinc/15/53/55/372155355.db2.gz LEXDIIYUYZRMOT-IAQYHMDHSA-N 1 0 251.345 3.218 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000159668730 372165801 /nfs/dbraw/zinc/16/58/01/372165801.db2.gz JNZRPXWCOAVQNW-CVEARBPZSA-N 1 0 277.408 3.089 20 70 CGIDRO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CCCC1 ZINC000159736568 372173394 /nfs/dbraw/zinc/17/33/94/372173394.db2.gz FXUJCOAHNFJHEE-UHFFFAOYSA-N 1 0 298.430 3.399 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000159753968 372175682 /nfs/dbraw/zinc/17/56/82/372175682.db2.gz CSGSNGKLUGMGBF-QGZVFWFLSA-N 1 0 267.376 3.165 20 70 CGIDRO Clc1ccccc1[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159764728 372178545 /nfs/dbraw/zinc/17/85/45/372178545.db2.gz GPRHCIVUGOOZJE-HNNXBMFYSA-N 1 0 275.783 3.374 20 70 CGIDRO CN(Cc1csc(-c2ccsc2)n1)[C@H](C[NH3+])C1CC1 ZINC000160086672 372211051 /nfs/dbraw/zinc/21/10/51/372211051.db2.gz ZATIQZSZUCGSGZ-CYBMUJFWSA-N 1 0 293.461 3.041 20 70 CGIDRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000160097591 372212525 /nfs/dbraw/zinc/21/25/25/372212525.db2.gz FDUFBCXOERTYKD-QMTHXVAHSA-N 1 0 296.773 3.069 20 70 CGIDRO CC1(C)CCC(CC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000160140337 372217198 /nfs/dbraw/zinc/21/71/98/372217198.db2.gz UCFBIFDYXKADPC-HNNXBMFYSA-N 1 0 292.467 3.193 20 70 CGIDRO CCC[C@H]([NH2+][C@@H](C)CC)C(=O)N1CCc2sccc2C1 ZINC000160186401 372221936 /nfs/dbraw/zinc/22/19/36/372221936.db2.gz GTWFUTKTNDHFMS-JSGCOSHPSA-N 1 0 294.464 3.190 20 70 CGIDRO CCNC(=O)c1cccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)c1 ZINC000160187188 372222345 /nfs/dbraw/zinc/22/23/45/372222345.db2.gz VMESGOGNBOTQNQ-VMZNBEPHSA-N 1 0 288.435 3.351 20 70 CGIDRO Cc1cc(C)nc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160224429 372225907 /nfs/dbraw/zinc/22/59/07/372225907.db2.gz HIZHSRSFEGFKOK-GUYCJALGSA-N 1 0 296.418 3.026 20 70 CGIDRO Cc1ncc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264947 372231895 /nfs/dbraw/zinc/23/18/95/372231895.db2.gz ANSBVCSTRQCFPI-KBPBESRZSA-N 1 0 290.455 3.009 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000160279428 372233631 /nfs/dbraw/zinc/23/36/31/372233631.db2.gz GEWWQTLFNJEYHO-CVEARBPZSA-N 1 0 299.455 3.096 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc21 ZINC000159851287 372186303 /nfs/dbraw/zinc/18/63/03/372186303.db2.gz SUDUIBRIYWTBPN-KGLIPLIRSA-N 1 0 285.391 3.117 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1ccco1 ZINC000159867218 372189212 /nfs/dbraw/zinc/18/92/12/372189212.db2.gz WIRNREPQIQAGES-QWHCGFSZSA-N 1 0 290.432 3.439 20 70 CGIDRO C[C@](O)(C[NH2+][C@@H]1CCc2ccccc21)c1ccsc1 ZINC000159932294 372194668 /nfs/dbraw/zinc/19/46/68/372194668.db2.gz GTBVZLJXFDFIKW-CVEARBPZSA-N 1 0 273.401 3.233 20 70 CGIDRO COc1cc(C[NH2+]C2(C)CCC2)c(SC)cc1OC ZINC000159919320 372195093 /nfs/dbraw/zinc/19/50/93/372195093.db2.gz WRIRKNLSVRFZTN-UHFFFAOYSA-N 1 0 281.421 3.458 20 70 CGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccnc1Cl ZINC000159957696 372198199 /nfs/dbraw/zinc/19/81/99/372198199.db2.gz YXWJXRMXHHIWQS-HZMBPMFUSA-N 1 0 296.823 3.355 20 70 CGIDRO CC[N@@H+](Cc1cccnc1C)C[C@@H]1COc2ccccc2O1 ZINC000160955203 372290264 /nfs/dbraw/zinc/29/02/64/372290264.db2.gz XXRLRTJSWCWTDS-MRXNPFEDSA-N 1 0 298.386 3.052 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000160961502 372290829 /nfs/dbraw/zinc/29/08/29/372290829.db2.gz LCWOUQUWYNHDRP-RDJZCZTQSA-N 1 0 280.371 3.029 20 70 CGIDRO COc1cccc(OCCC[NH2+][C@H](C)c2cccnc2)c1 ZINC000160993513 372292120 /nfs/dbraw/zinc/29/21/20/372292120.db2.gz BMVGFSJLSGIIMI-CQSZACIVSA-N 1 0 286.375 3.210 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160992401 372292627 /nfs/dbraw/zinc/29/26/27/372292627.db2.gz RMNCTURWGWHURA-VIFPVBQESA-N 1 0 289.206 3.169 20 70 CGIDRO CCC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160462752 372250160 /nfs/dbraw/zinc/25/01/60/372250160.db2.gz WEHULPRFAGJZPS-HZPDHXFCSA-N 1 0 290.455 3.240 20 70 CGIDRO FC(F)(F)c1cccc(OCC[NH2+][C@H]2CCSC2)c1 ZINC000160492676 372251606 /nfs/dbraw/zinc/25/16/06/372251606.db2.gz DOKRADRJXCFDFE-NSHDSACASA-N 1 0 291.338 3.179 20 70 CGIDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCOCC(C)C ZINC000160701625 372269770 /nfs/dbraw/zinc/26/97/70/372269770.db2.gz KCZMRBLMNQKVCF-CYBMUJFWSA-N 1 0 281.444 3.270 20 70 CGIDRO CCCCC[N@H+](CCCS(=O)(=O)C(C)C)C(C)C ZINC000160789994 372275345 /nfs/dbraw/zinc/27/53/45/372275345.db2.gz QXHMSSITPQREGZ-UHFFFAOYSA-N 1 0 277.474 3.100 20 70 CGIDRO CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)cc1F ZINC000160820235 372279320 /nfs/dbraw/zinc/27/93/20/372279320.db2.gz ALSMMTLMQIURQA-QMTHXVAHSA-N 1 0 255.308 3.042 20 70 CGIDRO CCCCCC[C@](C)(CC)C(=O)N1CCC[NH2+]CC1 ZINC000160851714 372281613 /nfs/dbraw/zinc/28/16/13/372281613.db2.gz WPAYWKNDUSUICW-INIZCTEOSA-N 1 0 268.445 3.195 20 70 CGIDRO CC(C)C[C@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160875890 372286184 /nfs/dbraw/zinc/28/61/84/372286184.db2.gz CYPONYDZDCBESC-NPYXIHBLSA-N 1 0 292.467 3.334 20 70 CGIDRO Cc1c(C[NH2+][C@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000161311957 372316424 /nfs/dbraw/zinc/31/64/24/372316424.db2.gz HMMJTNGWEWYCQK-CYBMUJFWSA-N 1 0 257.381 3.196 20 70 CGIDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343340 372318225 /nfs/dbraw/zinc/31/82/25/372318225.db2.gz ZUJRCQKRGOEDKR-KXBFYZLASA-N 1 0 299.414 3.402 20 70 CGIDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343591 372318518 /nfs/dbraw/zinc/31/85/18/372318518.db2.gz ZUJRCQKRGOEDKR-BEFAXECRSA-N 1 0 299.414 3.402 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000161400597 372322275 /nfs/dbraw/zinc/32/22/75/372322275.db2.gz HVIFOBSGSGRACI-ZFWWWQNUSA-N 1 0 273.351 3.252 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)C2CCCC2)c1 ZINC000161436729 372325951 /nfs/dbraw/zinc/32/59/51/372325951.db2.gz AQXFGCZWJAJHDK-ZDUSSCGKSA-N 1 0 277.408 3.415 20 70 CGIDRO Fc1cc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000218314885 376186334 /nfs/dbraw/zinc/18/63/34/376186334.db2.gz VJFGESGPVSAVPE-CABCVRRESA-N 1 0 282.790 3.196 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)c(F)c1 ZINC000159676534 542150937 /nfs/dbraw/zinc/15/09/37/542150937.db2.gz DHCWDEGVRAMRCC-NHYWBVRUSA-N 1 0 294.345 3.168 20 70 CGIDRO CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160847620 542155853 /nfs/dbraw/zinc/15/58/53/542155853.db2.gz BNBMNBZDQGKYCD-CABCVRRESA-N 1 0 267.800 3.494 20 70 CGIDRO OC[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000161504744 542158711 /nfs/dbraw/zinc/15/87/11/542158711.db2.gz PDWLBHKUADOCMQ-QAPCUYQASA-N 1 0 285.362 3.179 20 70 CGIDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)O ZINC000160625318 533665469 /nfs/dbraw/zinc/66/54/69/533665469.db2.gz PYMJNUXPTFPPDH-NSHDSACASA-N 1 0 289.341 3.387 20 70 CGIDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCSC1 ZINC000159533961 392580888 /nfs/dbraw/zinc/58/08/88/392580888.db2.gz GMLRIVQQKPLOHX-FZMZJTMJSA-N 1 0 296.411 3.028 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000160793255 392583247 /nfs/dbraw/zinc/58/32/47/392583247.db2.gz RHUJZFDYZPYWGR-KRWDZBQOSA-N 1 0 299.418 3.258 20 70 CGIDRO COc1ccccc1CC[NH2+]Cc1cc(C)ccc1OC ZINC000218597533 270085549 /nfs/dbraw/zinc/08/55/49/270085549.db2.gz VMTDCBNXXVTDEH-UHFFFAOYSA-N 1 0 285.387 3.345 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)CC2 ZINC000159976052 277439416 /nfs/dbraw/zinc/43/94/16/277439416.db2.gz PVZBAYRNGIKKMV-CVEARBPZSA-N 1 0 289.419 3.100 20 70 CGIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000160360549 277934415 /nfs/dbraw/zinc/93/44/15/277934415.db2.gz TVOPIPWXJYMMAR-MJBXVCDLSA-N 1 0 268.445 3.094 20 70 CGIDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC(C)(C)O ZINC000159623131 321837919 /nfs/dbraw/zinc/83/79/19/321837919.db2.gz WYRDZCYAQQOUSY-HNNXBMFYSA-N 1 0 267.388 3.143 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160039997 321845716 /nfs/dbraw/zinc/84/57/16/321845716.db2.gz GPRJTOSUJBEQEA-STQMWFEESA-N 1 0 250.386 3.393 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000160350911 321850260 /nfs/dbraw/zinc/85/02/60/321850260.db2.gz AORYMRAEGVOEQO-IAGOWNOFSA-N 1 0 295.492 3.347 20 70 CGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000160772349 321857516 /nfs/dbraw/zinc/85/75/16/321857516.db2.gz LAPZIIWLZBZDOU-CVEARBPZSA-N 1 0 290.451 3.163 20 70 CGIDRO C[C@@H]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000160979944 321860703 /nfs/dbraw/zinc/86/07/03/321860703.db2.gz WFKYAOFPZVPQEM-ZBFHGGJFSA-N 1 0 288.435 3.304 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000161433101 321867749 /nfs/dbraw/zinc/86/77/49/321867749.db2.gz KONUQQJQHLLILA-JQWIXIFHSA-N 1 0 289.345 3.497 20 70 CGIDRO C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000216859647 329307549 /nfs/dbraw/zinc/30/75/49/329307549.db2.gz LVXQLQLYPLWLCS-WMLDXEAASA-N 1 0 292.467 3.431 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@@H](C)c2cncc(F)c2)n1 ZINC000160811278 519901840 /nfs/dbraw/zinc/90/18/40/519901840.db2.gz PMGHHIYLUHEZAQ-NSHDSACASA-N 1 0 292.358 3.011 20 70 CGIDRO COC(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)OC ZINC000160619144 522533519 /nfs/dbraw/zinc/53/35/19/522533519.db2.gz KZILWRQRDLSFGI-ZDUSSCGKSA-N 1 0 269.772 3.096 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+](CC1CC1)CC1CC1 ZINC000160461433 527176349 /nfs/dbraw/zinc/17/63/49/527176349.db2.gz FKDONUOBOAZVTR-UHFFFAOYSA-N 1 0 269.392 3.265 20 70 CGIDRO OCC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccccc1 ZINC000160981628 527562445 /nfs/dbraw/zinc/56/24/45/527562445.db2.gz SVJDKUTVUUXRJH-RBUKOAKNSA-N 1 0 281.399 3.257 20 70 CGIDRO CC[C@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159721481 529303969 /nfs/dbraw/zinc/30/39/69/529303969.db2.gz CVVZNOYXBGTPTN-OAHLLOKOSA-N 1 0 288.435 3.348 20 70 CGIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(Cl)c1OC(C)C ZINC000160922249 346172763 /nfs/dbraw/zinc/17/27/63/346172763.db2.gz TXIZVWASIHUZAE-UHFFFAOYSA-N 1 0 298.814 3.454 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N(C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000161052364 346174203 /nfs/dbraw/zinc/17/42/03/346174203.db2.gz GKPVXQWMNUKJPR-CYBMUJFWSA-N 1 0 296.842 3.118 20 70 CGIDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160576194 188481368 /nfs/dbraw/zinc/48/13/68/188481368.db2.gz IZMUYBZAOBSQJD-JOYOIKCWSA-N 1 0 269.186 3.122 20 70 CGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000161092409 188507810 /nfs/dbraw/zinc/50/78/10/188507810.db2.gz GAHBWVZRWFAFCD-CZUORRHYSA-N 1 0 299.370 3.190 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000159377468 372138387 /nfs/dbraw/zinc/13/83/87/372138387.db2.gz ZERAIUAXYKNGKX-BARDWOONSA-N 1 0 270.486 3.123 20 70 CGIDRO Cc1cc(C)cc(CC[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000159517582 372152593 /nfs/dbraw/zinc/15/25/93/372152593.db2.gz NCXYIRMEVSQOLZ-HNNXBMFYSA-N 1 0 261.409 3.251 20 70 CGIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1F ZINC000159531867 372152708 /nfs/dbraw/zinc/15/27/08/372152708.db2.gz OTUBCPOFEGBUEI-OAHLLOKOSA-N 1 0 296.361 3.018 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000159567205 372155772 /nfs/dbraw/zinc/15/57/72/372155772.db2.gz OWCZFDXOQTVKDJ-CABCVRRESA-N 1 0 277.433 3.038 20 70 CGIDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000159557041 372156271 /nfs/dbraw/zinc/15/62/71/372156271.db2.gz OLSYTZWBYRFFIY-QGZVFWFLSA-N 1 0 286.419 3.056 20 70 CGIDRO CC(C)COC[C@H](O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000159590856 372159928 /nfs/dbraw/zinc/15/99/28/372159928.db2.gz VORMEBQPLPVUDS-OAHLLOKOSA-N 1 0 299.842 3.198 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1C ZINC000159659193 372166545 /nfs/dbraw/zinc/16/65/45/372166545.db2.gz KFJBNYODJVJEHF-ZACQAIPSSA-N 1 0 271.404 3.351 20 70 CGIDRO C[C@@H]1CCC[C@@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000159717098 372171551 /nfs/dbraw/zinc/17/15/51/372171551.db2.gz FICARLJCDKSFRB-RHSMWYFYSA-N 1 0 288.435 3.191 20 70 CGIDRO CC(C)CC[C@@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160044217 372207065 /nfs/dbraw/zinc/20/70/65/372207065.db2.gz VZNINDIATOILJZ-OCCSQVGLSA-N 1 0 255.427 3.370 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cncs2)cn1 ZINC000160054425 372208685 /nfs/dbraw/zinc/20/86/85/372208685.db2.gz JMCPDTFFBKQSOU-NSHDSACASA-N 1 0 277.393 3.176 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1F ZINC000160120207 372214455 /nfs/dbraw/zinc/21/44/55/372214455.db2.gz FYALEOVYTAAYOR-LBPRGKRZSA-N 1 0 281.371 3.038 20 70 CGIDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160325234 372238184 /nfs/dbraw/zinc/23/81/84/372238184.db2.gz JDAFLXKXSUYLKJ-WFASDCNBSA-N 1 0 263.381 3.303 20 70 CGIDRO C[C@H]1SCC[N@H+](CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834439 372185448 /nfs/dbraw/zinc/18/54/48/372185448.db2.gz YXFMJZNZDCUPCO-GDBMZVCRSA-N 1 0 287.432 3.062 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000160992503 372292496 /nfs/dbraw/zinc/29/24/96/372292496.db2.gz RMNCTURWGWHURA-SECBINFHSA-N 1 0 289.206 3.169 20 70 CGIDRO C[C@@H](CC(=O)N1CCCC(C)(C)CC1)C1CC[NH2+]CC1 ZINC000161044897 372298709 /nfs/dbraw/zinc/29/87/09/372298709.db2.gz ANTUQRPDVUGGFI-AWEZNQCLSA-N 1 0 280.456 3.051 20 70 CGIDRO CCCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160422156 372245983 /nfs/dbraw/zinc/24/59/83/372245983.db2.gz HLWCDFBZXVHGLH-GUYCJALGSA-N 1 0 298.434 3.205 20 70 CGIDRO CC(=O)Nc1ccccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000160470585 372249943 /nfs/dbraw/zinc/24/99/43/372249943.db2.gz BEYNTMOELOKFOP-UHFFFAOYSA-N 1 0 286.350 3.416 20 70 CGIDRO CC(C)[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160506925 372253171 /nfs/dbraw/zinc/25/31/71/372253171.db2.gz BNBDUJJZRZXFCM-QGZVFWFLSA-N 1 0 264.457 3.418 20 70 CGIDRO C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160536931 372256188 /nfs/dbraw/zinc/25/61/88/372256188.db2.gz OWMDJWIPHWXERU-LXZKKBNFSA-N 1 0 279.399 3.288 20 70 CGIDRO C[C@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)c1ccoc1 ZINC000160754720 372273702 /nfs/dbraw/zinc/27/37/02/372273702.db2.gz SNVAPDMLFWNOJY-STQMWFEESA-N 1 0 282.347 3.272 20 70 CGIDRO C[N@@H+](Cc1ccc(Cl)cc1)CC1=CCCOC1 ZINC000160812097 372276913 /nfs/dbraw/zinc/27/69/13/372276913.db2.gz CBAXGGXCDLCREU-UHFFFAOYSA-N 1 0 251.757 3.119 20 70 CGIDRO CC[C@@H](COC)[NH2+]CCOc1cccc2ccccc21 ZINC000160815887 372277453 /nfs/dbraw/zinc/27/74/53/372277453.db2.gz XSGYRKNTQXMQDV-HNNXBMFYSA-N 1 0 273.376 3.233 20 70 CGIDRO COc1ccc(CCNc2cc[nH+]c(C)c2)cc1OC ZINC000160912736 372287270 /nfs/dbraw/zinc/28/72/70/372287270.db2.gz SHVHOZVGROJLQT-UHFFFAOYSA-N 1 0 272.348 3.062 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc2cc(OC)ccc2c1 ZINC000161199487 372309683 /nfs/dbraw/zinc/30/96/83/372309683.db2.gz YSVBINHCUMHUNJ-UHFFFAOYSA-N 1 0 273.376 3.053 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000161398624 372321168 /nfs/dbraw/zinc/32/11/68/372321168.db2.gz JQNOAYUXDFYZHW-LBPRGKRZSA-N 1 0 278.421 3.125 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000161410518 372321769 /nfs/dbraw/zinc/32/17/69/372321769.db2.gz GPWUUNNEPQUKNL-DOTOQJQBSA-N 1 0 288.435 3.447 20 70 CGIDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161480297 372327883 /nfs/dbraw/zinc/32/78/83/372327883.db2.gz CVJXWBVQPOYOHK-DOTOQJQBSA-N 1 0 299.414 3.430 20 70 CGIDRO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217485410 376175300 /nfs/dbraw/zinc/17/53/00/376175300.db2.gz OBOWQDQHJUIGLS-ZYHUDNBSSA-N 1 0 288.313 3.069 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1OC ZINC000217885355 376181779 /nfs/dbraw/zinc/18/17/79/376181779.db2.gz PYNPPTSIFMSYOF-NWANDNLSSA-N 1 0 293.407 3.312 20 70 CGIDRO CO[C@H]1CCC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159409859 542149705 /nfs/dbraw/zinc/14/97/05/542149705.db2.gz AIELEKLITUFMAJ-IRXDYDNUSA-N 1 0 284.403 3.325 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)C(C)C)cc1OC ZINC000159970503 165472188 /nfs/dbraw/zinc/47/21/88/165472188.db2.gz LKIGMUXSXJRFAQ-DZGCQCFKSA-N 1 0 295.423 3.416 20 70 CGIDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217811214 270085494 /nfs/dbraw/zinc/08/54/94/270085494.db2.gz IOPSQBFPRJIRGA-HNNXBMFYSA-N 1 0 291.435 3.287 20 70 CGIDRO CC1(C)CCC(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000160616141 275809620 /nfs/dbraw/zinc/80/96/20/275809620.db2.gz GEGQBKFCOVWVSY-HNNXBMFYSA-N 1 0 292.467 3.147 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)CC2 ZINC000159926345 277991077 /nfs/dbraw/zinc/99/10/77/277991077.db2.gz XFNHYXJLUSFEMZ-CZUORRHYSA-N 1 0 275.392 3.230 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1ccco1 ZINC000159820184 278353113 /nfs/dbraw/zinc/35/31/13/278353113.db2.gz HOOMTGWQLFIGGG-LSDHHAIUSA-N 1 0 284.403 3.377 20 70 CGIDRO [NH3+]CCCCCCC(=O)N1CCC2(C1)CCCCC2 ZINC000161195528 303374644 /nfs/dbraw/zinc/37/46/44/303374644.db2.gz SHOWAXYXBVFJLZ-UHFFFAOYSA-N 1 0 266.429 3.078 20 70 CGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccn1C ZINC000159394321 321834487 /nfs/dbraw/zinc/83/44/87/321834487.db2.gz GVUKNMSJEZUFGD-UHFFFAOYSA-N 1 0 285.435 3.025 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](CC)[C@@H]2CCOC2)C1(C)C ZINC000159795595 321840494 /nfs/dbraw/zinc/84/04/94/321840494.db2.gz ASMXNKQKFVQFMK-FXUDXRNXSA-N 1 0 283.456 3.375 20 70 CGIDRO CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160101418 321846130 /nfs/dbraw/zinc/84/61/30/321846130.db2.gz OKRMOKXCFNFMPZ-DOTOQJQBSA-N 1 0 288.435 3.447 20 70 CGIDRO CCOc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160667169 321855418 /nfs/dbraw/zinc/85/54/18/321855418.db2.gz XJWCHMIADGNUCX-UHFFFAOYSA-N 1 0 298.386 3.399 20 70 CGIDRO CCc1ccc([C@H](CO)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000160766905 321857354 /nfs/dbraw/zinc/85/73/54/321857354.db2.gz APCRQXJFFRCBDP-WBVHZDCISA-N 1 0 259.393 3.228 20 70 CGIDRO CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000161114977 321862584 /nfs/dbraw/zinc/86/25/84/321862584.db2.gz OGOHVKZGAWIZQO-HNNXBMFYSA-N 1 0 280.799 3.303 20 70 CGIDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161432384 321867595 /nfs/dbraw/zinc/86/75/95/321867595.db2.gz WDCVBNSQEITQHU-QFBILLFUSA-N 1 0 281.399 3.348 20 70 CGIDRO Fc1cc(Cl)cc(C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000160814236 534443047 /nfs/dbraw/zinc/44/30/47/534443047.db2.gz SVOSZRWGBMPSQB-UHFFFAOYSA-N 1 0 293.725 3.498 20 70 CGIDRO CC(C)OCC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478530 519768114 /nfs/dbraw/zinc/76/81/14/519768114.db2.gz BORYXIDJVWDZLB-QGZVFWFLSA-N 1 0 293.407 3.170 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC000160421718 521718559 /nfs/dbraw/zinc/71/85/59/521718559.db2.gz DNUQDJVPLUCLFQ-AWEZNQCLSA-N 1 0 280.437 3.252 20 70 CGIDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(OC)c1 ZINC000160488855 522864422 /nfs/dbraw/zinc/86/44/22/522864422.db2.gz BNHPAEVJJDJFPV-OIISXLGYSA-N 1 0 277.408 3.287 20 70 CGIDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1F ZINC000160928278 522949436 /nfs/dbraw/zinc/94/94/36/522949436.db2.gz OTYCPFVNTOXFEB-CABCVRRESA-N 1 0 296.361 3.015 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000161413244 523061930 /nfs/dbraw/zinc/06/19/30/523061930.db2.gz DRJMBMAGCKWTIR-DLBZAZTESA-N 1 0 288.435 3.203 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)s1 ZINC000160409434 524027264 /nfs/dbraw/zinc/02/72/64/524027264.db2.gz LQIXCQWRSPEUQE-GHMZBOCLSA-N 1 0 273.467 3.075 20 70 CGIDRO C[C@@H]1CCC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160634664 524346773 /nfs/dbraw/zinc/34/67/73/524346773.db2.gz JVNILEALBWWLID-IKGGRYGDSA-N 1 0 294.483 3.441 20 70 CGIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000161382558 525321319 /nfs/dbraw/zinc/32/13/19/525321319.db2.gz HLWBIRDDLQNQLJ-ZDUSSCGKSA-N 1 0 277.383 3.262 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131727 525612095 /nfs/dbraw/zinc/61/20/95/525612095.db2.gz DBSLORBFQDQLEA-UBHSHLNASA-N 1 0 282.378 3.488 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000160066687 529343620 /nfs/dbraw/zinc/34/36/20/529343620.db2.gz ZOKMGTOWKQLAEN-OLZOCXBDSA-N 1 0 282.403 3.215 20 70 CGIDRO CCc1ccc(C[NH2+]Cc2nc3ccccc3n2C)s1 ZINC000218107974 529654063 /nfs/dbraw/zinc/65/40/63/529654063.db2.gz PKMGLVMZJOGRRH-UHFFFAOYSA-N 1 0 285.416 3.487 20 70 CGIDRO C[N@@H+](Cc1ccc(OC(F)F)cc1)CC1=CCCOC1 ZINC000160629030 529989721 /nfs/dbraw/zinc/98/97/21/529989721.db2.gz OQKCZLNNHUPQBL-UHFFFAOYSA-N 1 0 283.318 3.067 20 70 CGIDRO CN(c1ccccc1)C1CC[NH+](CCOCC2CC2)CC1 ZINC000159740916 530035670 /nfs/dbraw/zinc/03/56/70/530035670.db2.gz HYIUZKXQDFGZFV-UHFFFAOYSA-N 1 0 288.435 3.014 20 70 CGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000159836678 232241183 /nfs/dbraw/zinc/24/11/83/232241183.db2.gz GMDYPGQBVSVFAT-XJKSGUPXSA-N 1 0 299.418 3.004 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000161084418 232248377 /nfs/dbraw/zinc/24/83/77/232248377.db2.gz SVIDDJHCLDPNRX-ZWKOTPCHSA-N 1 0 294.398 3.034 20 70 CGIDRO CC[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(C)cc1 ZINC000160130150 346170198 /nfs/dbraw/zinc/17/01/98/346170198.db2.gz GCNNKGGWKZXYNK-RDJZCZTQSA-N 1 0 288.435 3.089 20 70 CGIDRO CCc1ccc([C@@H](C)CC(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000160182650 346170266 /nfs/dbraw/zinc/17/02/66/346170266.db2.gz VVBVTQRHNJYRAA-HNNXBMFYSA-N 1 0 290.451 3.199 20 70 CGIDRO CC(C)[NH2+]CCC(=O)NC1(c2ccccc2)CCCCC1 ZINC000160049565 346170326 /nfs/dbraw/zinc/17/03/26/346170326.db2.gz FSIQPBVGANKYSN-UHFFFAOYSA-N 1 0 288.435 3.350 20 70 CGIDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000160495510 346170584 /nfs/dbraw/zinc/17/05/84/346170584.db2.gz YTTUAXRVQCSIQX-UONOGXRCSA-N 1 0 289.485 3.006 20 70 CGIDRO CCCCN(CCCC)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160741201 346172111 /nfs/dbraw/zinc/17/21/11/346172111.db2.gz KWXAVPBEGFHJBJ-INIZCTEOSA-N 1 0 295.471 3.083 20 70 CGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@H](C)CC)cc1 ZINC000160113959 188456003 /nfs/dbraw/zinc/45/60/03/188456003.db2.gz ZHLPAMQSVIGOMR-CYBMUJFWSA-N 1 0 262.397 3.105 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000160118159 188456157 /nfs/dbraw/zinc/45/61/57/188456157.db2.gz WUJDHRVYFBXOND-KBPBESRZSA-N 1 0 299.418 3.448 20 70 CGIDRO COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1Cl ZINC000160429214 188472979 /nfs/dbraw/zinc/47/29/79/188472979.db2.gz IPMOVEIUJJOJHV-LBPRGKRZSA-N 1 0 283.799 3.396 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)c1ccccc1)CC2 ZINC000161458955 188528862 /nfs/dbraw/zinc/52/88/62/188528862.db2.gz BWFWNQPCWZJYAN-QFBILLFUSA-N 1 0 297.398 3.048 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccco1 ZINC000159374285 372135573 /nfs/dbraw/zinc/13/55/73/372135573.db2.gz UHSFBAKCIMRGQN-GDBMZVCRSA-N 1 0 267.413 3.378 20 70 CGIDRO CCOCCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000159472769 372147959 /nfs/dbraw/zinc/14/79/59/372147959.db2.gz NZPNBSKKBXAZIX-UHFFFAOYSA-N 1 0 282.472 3.001 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159542778 372153503 /nfs/dbraw/zinc/15/35/03/372153503.db2.gz LPEOROLKYCDQGR-BMFZPTHFSA-N 1 0 275.367 3.181 20 70 CGIDRO CCOCCC[N@H+](C)Cc1csc(Br)c1 ZINC000159611217 372161101 /nfs/dbraw/zinc/16/11/01/372161101.db2.gz VNMGLCXHVQNHGK-UHFFFAOYSA-N 1 0 292.242 3.369 20 70 CGIDRO CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159611343 372161618 /nfs/dbraw/zinc/16/16/18/372161618.db2.gz BWJLUZPRLIQKFT-CQSZACIVSA-N 1 0 282.472 3.249 20 70 CGIDRO C[C@H]1CN(C[C@@H]2CCC[N@@H+]2CCC2CCCC2)C[C@H](C)O1 ZINC000159637608 372164615 /nfs/dbraw/zinc/16/46/15/372164615.db2.gz FKKDDIHVPQFLIU-BQFCYCMXSA-N 1 0 294.483 3.140 20 70 CGIDRO CC(C)(C)OCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000159721893 372173230 /nfs/dbraw/zinc/17/32/30/372173230.db2.gz DQPOOVBFROOGDF-KRWDZBQOSA-N 1 0 290.451 3.056 20 70 CGIDRO Cc1nc2ccccn2c1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000159774695 372178486 /nfs/dbraw/zinc/17/84/86/372178486.db2.gz FMNUPIAZWZPQGI-BETUJISGSA-N 1 0 257.381 3.406 20 70 CGIDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(OC)cc2)CCO1 ZINC000160086317 372210057 /nfs/dbraw/zinc/21/00/57/372210057.db2.gz BDNIPWZKBZDBLZ-VHDGCEQUSA-N 1 0 263.381 3.303 20 70 CGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC3(CCC3)C2)CC1 ZINC000160150435 372218441 /nfs/dbraw/zinc/21/84/41/372218441.db2.gz KFYIVFNBXHNSDN-UHFFFAOYSA-N 1 0 292.467 3.147 20 70 CGIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247576 372230126 /nfs/dbraw/zinc/23/01/26/372230126.db2.gz COHLDJHDYPBXJG-UONOGXRCSA-N 1 0 294.464 3.232 20 70 CGIDRO COc1cc(C[NH2+]Cc2coc3ccccc23)ccn1 ZINC000159823095 372185296 /nfs/dbraw/zinc/18/52/96/372185296.db2.gz VMMLZXYKQUTDFQ-UHFFFAOYSA-N 1 0 268.316 3.126 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)CC2 ZINC000159976192 372200177 /nfs/dbraw/zinc/20/01/77/372200177.db2.gz PVZBAYRNGIKKMV-JKSUJKDBSA-N 1 0 289.419 3.100 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000160367113 372241140 /nfs/dbraw/zinc/24/11/40/372241140.db2.gz LVKNOJHVTZAOLE-GUYCJALGSA-N 1 0 293.476 3.330 20 70 CGIDRO C[C@@H](C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1 ZINC000160962345 372290331 /nfs/dbraw/zinc/29/03/31/372290331.db2.gz NGUULCOWTGMCHQ-XJKSGUPXSA-N 1 0 282.387 3.146 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999025 372294644 /nfs/dbraw/zinc/29/46/44/372294644.db2.gz KGSYORZOLLUYOG-MCIONIFRSA-N 1 0 264.388 3.349 20 70 CGIDRO CCCC[C@H](CC)CC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161055376 372298454 /nfs/dbraw/zinc/29/84/54/372298454.db2.gz IZMIXVURCHXZBV-HNNXBMFYSA-N 1 0 282.472 3.441 20 70 CGIDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cncs1 ZINC000160400194 372244438 /nfs/dbraw/zinc/24/44/38/372244438.db2.gz DFBNFTWJTUHQSE-GXTWGEPZSA-N 1 0 281.469 3.304 20 70 CGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000160441207 372247478 /nfs/dbraw/zinc/24/74/78/372247478.db2.gz XCLAQSGOFMFIHL-UHFFFAOYSA-N 1 0 295.386 3.212 20 70 CGIDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000160479496 372252183 /nfs/dbraw/zinc/25/21/83/372252183.db2.gz CZGAEOFOKMGWSO-ZIAGYGMSSA-N 1 0 277.433 3.326 20 70 CGIDRO CCC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000160581810 372259370 /nfs/dbraw/zinc/25/93/70/372259370.db2.gz BTPVGIKLYFWDQG-LBPRGKRZSA-N 1 0 294.361 3.004 20 70 CGIDRO CCC(CC)CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160575509 372259457 /nfs/dbraw/zinc/25/94/57/372259457.db2.gz GNIJVZQINYXWJH-MRXNPFEDSA-N 1 0 295.471 3.083 20 70 CGIDRO CCC(=O)c1cccc(NC(=O)[C@H]2CCCCN2CC)c1 ZINC000160755055 372272716 /nfs/dbraw/zinc/27/27/16/372272716.db2.gz LYDKPUBPYRIDDS-OAHLLOKOSA-N 1 0 288.391 3.092 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2cccc3c[nH]nc32)o1 ZINC000160854444 372281932 /nfs/dbraw/zinc/28/19/32/372281932.db2.gz HPPUDNNUWQJALV-UHFFFAOYSA-N 1 0 255.321 3.096 20 70 CGIDRO Fc1cc(Cl)cc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000160885439 372284756 /nfs/dbraw/zinc/28/47/56/372284756.db2.gz IDLKUEIDZHKKAJ-UHFFFAOYSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1n[nH]c(C)c1C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000161165221 372305738 /nfs/dbraw/zinc/30/57/38/372305738.db2.gz LKSURXPEXQHWRK-UHFFFAOYSA-N 1 0 293.798 3.191 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1OC ZINC000161175181 372307677 /nfs/dbraw/zinc/30/76/77/372307677.db2.gz DZCYQBASBWAJEX-LSDHHAIUSA-N 1 0 276.424 3.220 20 70 CGIDRO C[C@H]1CCC[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000161201211 372309275 /nfs/dbraw/zinc/30/92/75/372309275.db2.gz UCYQJILLRKJGOT-UONOGXRCSA-N 1 0 280.456 3.192 20 70 CGIDRO Cc1cccc(C)c1OCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000161235082 372311276 /nfs/dbraw/zinc/31/12/76/372311276.db2.gz QMWCDUOKXWRNMR-OAHLLOKOSA-N 1 0 287.407 3.157 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000161414777 372321405 /nfs/dbraw/zinc/32/14/05/372321405.db2.gz HZSPUWKXQZLRID-GOEBONIOSA-N 1 0 295.448 3.019 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000161427997 372323543 /nfs/dbraw/zinc/32/35/43/372323543.db2.gz RHQKVMLWVZMQQW-HNNXBMFYSA-N 1 0 278.444 3.397 20 70 CGIDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000161432644 372324223 /nfs/dbraw/zinc/32/42/23/372324223.db2.gz WDCVBNSQEITQHU-VQIMIIECSA-N 1 0 281.399 3.348 20 70 CGIDRO CCC[C@H]1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000161447554 372324908 /nfs/dbraw/zinc/32/49/08/372324908.db2.gz REJBWALWJCFWFB-CABCVRRESA-N 1 0 280.456 3.051 20 70 CGIDRO CC[C@H](c1ccncc1)N(C)CCC[NH+]1CCCCC1 ZINC000161461177 372327107 /nfs/dbraw/zinc/32/71/07/372327107.db2.gz FHADZRMHAIFIRH-QGZVFWFLSA-N 1 0 275.440 3.341 20 70 CGIDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000217836841 376178949 /nfs/dbraw/zinc/17/89/49/376178949.db2.gz XWPQQYPVBBNLGR-RYUDHWBXSA-N 1 0 279.380 3.030 20 70 CGIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000217822544 376179198 /nfs/dbraw/zinc/17/91/98/376179198.db2.gz MLYHGVAPQYBZBT-XYPHTWIQSA-N 1 0 288.435 3.336 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680717 376179929 /nfs/dbraw/zinc/17/99/29/376179929.db2.gz HJDCDKXKPCABKR-RCBQFDQVSA-N 1 0 262.372 3.103 20 70 CGIDRO C[C@H]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000218133914 376184609 /nfs/dbraw/zinc/18/46/09/376184609.db2.gz RYJVBHJIKYGBKJ-KBPBESRZSA-N 1 0 271.408 3.489 20 70 CGIDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218129199 376185242 /nfs/dbraw/zinc/18/52/42/376185242.db2.gz GRDZHIMHAJTXTR-SJORKVTESA-N 1 0 258.409 3.020 20 70 CGIDRO C[C@@](CO)([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000159794219 542150278 /nfs/dbraw/zinc/15/02/78/542150278.db2.gz OFMMUYKWOAOHKY-INIZCTEOSA-N 1 0 293.769 3.476 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000161015457 542157277 /nfs/dbraw/zinc/15/72/77/542157277.db2.gz NSORJZIBHUDLPX-HOTGVXAUSA-N 1 0 292.467 3.073 20 70 CGIDRO CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161035941 542157566 /nfs/dbraw/zinc/15/75/66/542157566.db2.gz WYLWTXIQDDAYLY-PMPSAXMXSA-N 1 0 280.456 3.369 20 70 CGIDRO Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161479799 292007850 /nfs/dbraw/zinc/00/78/50/292007850.db2.gz DIHDOXMHYAYRCR-KRWDZBQOSA-N 1 0 288.435 3.201 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCOCC1CCOCC1 ZINC000159667555 165465712 /nfs/dbraw/zinc/46/57/12/165465712.db2.gz MRALDQIZKUMVBF-INIZCTEOSA-N 1 0 291.435 3.479 20 70 CGIDRO C1CN2CCCC[C@@H]2[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000217690323 270085165 /nfs/dbraw/zinc/08/51/65/270085165.db2.gz IUNGRGJVDADTQQ-RFIAZXKJSA-N 1 0 274.452 3.028 20 70 CGIDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCCSC1 ZINC000159534053 274472178 /nfs/dbraw/zinc/47/21/78/274472178.db2.gz GMLRIVQQKPLOHX-RISCZKNCSA-N 1 0 296.411 3.028 20 70 CGIDRO CCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1 ZINC000160296999 276025967 /nfs/dbraw/zinc/02/59/67/276025967.db2.gz VXVWKTKZBDFZRU-JKSUJKDBSA-N 1 0 284.407 3.032 20 70 CGIDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC(C)C ZINC000161007807 302125053 /nfs/dbraw/zinc/12/50/53/302125053.db2.gz OVBJZJATCYOURQ-MRXNPFEDSA-N 1 0 276.424 3.196 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000159971688 321843946 /nfs/dbraw/zinc/84/39/46/321843946.db2.gz HSRYURWWLOYMND-LBPRGKRZSA-N 1 0 282.815 3.153 20 70 CGIDRO C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160547018 321853745 /nfs/dbraw/zinc/85/37/45/321853745.db2.gz KXEKXHDTAASVAB-UNEWFSDZSA-N 1 0 279.399 3.288 20 70 CGIDRO CCCCOc1ccc(CC[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000161388349 321866568 /nfs/dbraw/zinc/86/65/68/321866568.db2.gz QBFHLDJGZGCMIJ-WBVHZDCISA-N 1 0 291.435 3.423 20 70 CGIDRO CC(=O)NC1CCC([NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000161483187 519645378 /nfs/dbraw/zinc/64/53/78/519645378.db2.gz YTEFYUIYANPFJG-OBTMHIKCSA-N 1 0 280.456 3.240 20 70 CGIDRO CC1(C)CCC(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000160616024 520293167 /nfs/dbraw/zinc/29/31/67/520293167.db2.gz GEGQBKFCOVWVSY-OAHLLOKOSA-N 1 0 292.467 3.147 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019726 525562123 /nfs/dbraw/zinc/56/21/23/525562123.db2.gz HASNSYCWBQBDHU-YUTCNCBUSA-N 1 0 282.378 3.488 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038386 525613075 /nfs/dbraw/zinc/61/30/75/525613075.db2.gz NFXMAOUGOGQYBE-UBHSHLNASA-N 1 0 282.378 3.488 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160790213 527177459 /nfs/dbraw/zinc/17/74/59/527177459.db2.gz NIMCDCMYHBFSNI-GJZGRUSLSA-N 1 0 269.392 3.407 20 70 CGIDRO Cc1ncc([C@H](C)[NH2+]C[C@H]2CCc3ccccc32)c(C)n1 ZINC000160971002 527308521 /nfs/dbraw/zinc/30/85/21/527308521.db2.gz LJTANHGQIMEIGJ-BLLLJJGKSA-N 1 0 281.403 3.474 20 70 CGIDRO CCSCc1cccc(NC(=O)CC2CC[NH2+]CC2)c1 ZINC000160424061 529199968 /nfs/dbraw/zinc/19/99/68/529199968.db2.gz HXVDOKZERHKZOM-UHFFFAOYSA-N 1 0 292.448 3.268 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000160423762 529200334 /nfs/dbraw/zinc/20/03/34/529200334.db2.gz IMHJLALADKDRSP-AWEZNQCLSA-N 1 0 278.421 3.020 20 70 CGIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000161196980 232248638 /nfs/dbraw/zinc/24/86/38/232248638.db2.gz WZRVWNDVFHEKGV-JKSUJKDBSA-N 1 0 292.467 3.467 20 70 CGIDRO c1ccc(C[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161232474 232248987 /nfs/dbraw/zinc/24/89/87/232248987.db2.gz GRXPFSWFQUVXSM-IBGZPJMESA-N 1 0 286.463 3.427 20 70 CGIDRO c1cc2c(cccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH]1 ZINC000159571753 188431729 /nfs/dbraw/zinc/43/17/29/188431729.db2.gz WVOHFQQIMWZUEM-UAGQMJEPSA-N 1 0 282.387 3.215 20 70 CGIDRO C[C@@H](C[NH2+]C[C@H](O)c1ccccc1F)c1ccccc1 ZINC000159740368 188439461 /nfs/dbraw/zinc/43/94/61/188439461.db2.gz PFESBCYOULJRJY-GUYCJALGSA-N 1 0 273.351 3.252 20 70 CGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccccc1F ZINC000160538722 188479143 /nfs/dbraw/zinc/47/91/43/188479143.db2.gz ZIBIULRFTGHXMP-UHFFFAOYSA-N 1 0 295.402 3.411 20 70 CGIDRO CCc1ccc([C@@H](CC)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160426605 188471551 /nfs/dbraw/zinc/47/15/51/188471551.db2.gz NEKDMNKCAZWQDU-DLBZAZTESA-N 1 0 298.434 3.205 20 70 CGIDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccccc1C ZINC000159465993 372145882 /nfs/dbraw/zinc/14/58/82/372145882.db2.gz CQWHPAKYEUHMNT-GFCCVEGCSA-N 1 0 258.365 3.493 20 70 CGIDRO CCOc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159475366 372147282 /nfs/dbraw/zinc/14/72/82/372147282.db2.gz SOWKZUNPBFZLQG-BBWFWOEESA-N 1 0 287.403 3.133 20 70 CGIDRO Fc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616770 372160537 /nfs/dbraw/zinc/16/05/37/372160537.db2.gz GZVXXRXIBPUTRW-SNPRPXQTSA-N 1 0 279.330 3.012 20 70 CGIDRO CC(C)[N@H+](Cc1cnc2ccccn12)C1CCCC1 ZINC000159601978 372160647 /nfs/dbraw/zinc/16/06/47/372160647.db2.gz OBJMCKBRKVNKBJ-UHFFFAOYSA-N 1 0 257.381 3.487 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622680 372162856 /nfs/dbraw/zinc/16/28/56/372162856.db2.gz LIWNNUSKPUBIRU-WCQYABFASA-N 1 0 282.428 3.438 20 70 CGIDRO CCC[NH+]1CCC(NCc2coc3ccccc23)CC1 ZINC000159800708 372181679 /nfs/dbraw/zinc/18/16/79/372181679.db2.gz RRJJMTJZQUTZMR-UHFFFAOYSA-N 1 0 272.392 3.397 20 70 CGIDRO CC(C)(CNC(=O)CCCCCC[NH3+])c1cccc(F)c1 ZINC000159703724 372171513 /nfs/dbraw/zinc/17/15/13/372171513.db2.gz RSEAYVGHPGWPHN-UHFFFAOYSA-N 1 0 294.414 3.129 20 70 CGIDRO Cc1ccc([C@H](Cc2ccccc2)[NH2+]CCO)cc1C ZINC000159717181 372172359 /nfs/dbraw/zinc/17/23/59/372172359.db2.gz MYCBQUXOOIRBAL-SFHVURJKSA-N 1 0 269.388 3.169 20 70 CGIDRO COc1cccc2cc([C@@H](C)[NH2+]CCc3cnn(C)c3)oc21 ZINC000159756269 372175280 /nfs/dbraw/zinc/17/52/80/372175280.db2.gz CMNHQKPZORHRHR-GFCCVEGCSA-N 1 0 299.374 3.068 20 70 CGIDRO CCCCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767116 372178182 /nfs/dbraw/zinc/17/81/82/372178182.db2.gz HODKWEBKEJUXJY-JYJNAYRXSA-N 1 0 293.455 3.445 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160057965 372208493 /nfs/dbraw/zinc/20/84/93/372208493.db2.gz FCKZGJBVFZNBEW-KGLIPLIRSA-N 1 0 291.439 3.026 20 70 CGIDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)C1(C)CC1 ZINC000160090037 372210866 /nfs/dbraw/zinc/21/08/66/372210866.db2.gz MATVRJGBSIBKQI-JTQLQIEISA-N 1 0 255.308 3.122 20 70 CGIDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc(C)cn2)CC1 ZINC000160108966 372213881 /nfs/dbraw/zinc/21/38/81/372213881.db2.gz IZIYMOOVEYFCII-MRXNPFEDSA-N 1 0 262.397 3.171 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000160173060 372219728 /nfs/dbraw/zinc/21/97/28/372219728.db2.gz QBJHUOFIIGXGAC-UKRRQHHQSA-N 1 0 281.465 3.056 20 70 CGIDRO CCC[C@@H]([NH2+][C@@H](C)CC)C(=O)N1CCc2sccc2C1 ZINC000160186535 372222506 /nfs/dbraw/zinc/22/25/06/372222506.db2.gz GTWFUTKTNDHFMS-GXTWGEPZSA-N 1 0 294.464 3.190 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000160240722 372229977 /nfs/dbraw/zinc/22/99/77/372229977.db2.gz WIHWFTPNBXUXLD-WCQYABFASA-N 1 0 299.505 3.392 20 70 CGIDRO COc1ccccc1-c1nnc(C[N@H+](C)CC(C)(C)C)o1 ZINC000160316073 372236969 /nfs/dbraw/zinc/23/69/69/372236969.db2.gz YUWMTLXZJYHQBU-UHFFFAOYSA-N 1 0 289.379 3.223 20 70 CGIDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000160325355 372237008 /nfs/dbraw/zinc/23/70/08/372237008.db2.gz JXQUQPAQSMXVFB-HOTGVXAUSA-N 1 0 295.423 3.058 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000160325830 372237719 /nfs/dbraw/zinc/23/77/19/372237719.db2.gz JLNPAWSQCBBJRN-WWGRRREGSA-N 1 0 279.449 3.329 20 70 CGIDRO CC1(C)CC[C@H](C[NH2+]Cc2cccc3cccnc32)O1 ZINC000160327880 372240091 /nfs/dbraw/zinc/24/00/91/372240091.db2.gz WUKUJCYCYRUFBN-OAHLLOKOSA-N 1 0 270.376 3.282 20 70 CGIDRO COc1ncccc1C[NH2+]Cc1coc2ccccc12 ZINC000159817330 372183153 /nfs/dbraw/zinc/18/31/53/372183153.db2.gz UMCDOQQCYMJMAG-UHFFFAOYSA-N 1 0 268.316 3.126 20 70 CGIDRO c1coc([C@H]2CCCCC[N@H+]2CCn2ccnc2)c1 ZINC000159836935 372184128 /nfs/dbraw/zinc/18/41/28/372184128.db2.gz QWYOGCGNXHHIQQ-CQSZACIVSA-N 1 0 259.353 3.093 20 70 CGIDRO Cc1c(C[NH2+]C[C@H](c2ccccc2)C(C)C)cnn1C ZINC000159851730 372186560 /nfs/dbraw/zinc/18/65/60/372186560.db2.gz LLXGASSOBFMDSM-KRWDZBQOSA-N 1 0 271.408 3.258 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952347 372198375 /nfs/dbraw/zinc/19/83/75/372198375.db2.gz LBGFUWGIIPWTGO-NWDGAFQWSA-N 1 0 281.371 3.443 20 70 CGIDRO C[C@@H](Cc1ccc(F)cc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161037301 372296129 /nfs/dbraw/zinc/29/61/29/372296129.db2.gz FNUXFWSFOOATGW-KBXCAEBGSA-N 1 0 287.378 3.470 20 70 CGIDRO CC[C@H]([NH2+]CC(C)(C)N1CCC[C@@H](CC)C1)[C@@H]1CCOC1 ZINC000161021802 372296535 /nfs/dbraw/zinc/29/65/35/372296535.db2.gz MFERXAODZGCNQW-ZACQAIPSSA-N 1 0 296.499 3.292 20 70 CGIDRO CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160443230 372247736 /nfs/dbraw/zinc/24/77/36/372247736.db2.gz AHOVRNWTPCHUQI-AWEZNQCLSA-N 1 0 263.381 3.133 20 70 CGIDRO COCC[N@H+](Cc1occc1C)Cc1ccccc1 ZINC000160449018 372248410 /nfs/dbraw/zinc/24/84/10/372248410.db2.gz DYDYRMZIESGKAS-UHFFFAOYSA-N 1 0 259.349 3.237 20 70 CGIDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCOC1 ZINC000160479719 372252424 /nfs/dbraw/zinc/25/24/24/372252424.db2.gz CZGAEOFOKMGWSO-KGLIPLIRSA-N 1 0 277.433 3.326 20 70 CGIDRO CC[C@@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160619978 372262378 /nfs/dbraw/zinc/26/23/78/372262378.db2.gz RHWNFZZGARWNRJ-LLVKDONJSA-N 1 0 252.427 3.343 20 70 CGIDRO Cc1ccc(CN(C)Cc2c[nH]nc2C(C)(C)C)o1 ZINC000160866246 372283377 /nfs/dbraw/zinc/28/33/77/372283377.db2.gz PWJNTZOLQCVGBF-UHFFFAOYSA-N 1 0 261.369 3.241 20 70 CGIDRO CCCCOc1ccc(CC[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000161388228 372320120 /nfs/dbraw/zinc/32/01/20/372320120.db2.gz QBFHLDJGZGCMIJ-RDJZCZTQSA-N 1 0 291.435 3.423 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)s1 ZINC000161406183 372321423 /nfs/dbraw/zinc/32/14/23/372321423.db2.gz CCOSIXNTQKPFGU-ZFWWWQNUSA-N 1 0 275.417 3.483 20 70 CGIDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216875911 376168220 /nfs/dbraw/zinc/16/82/20/376168220.db2.gz SFTOUFHEBXJTMI-GXTWGEPZSA-N 1 0 259.349 3.341 20 70 CGIDRO Clc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000217455779 376174360 /nfs/dbraw/zinc/17/43/60/376174360.db2.gz FPQMQVIUYGKRGX-RYUDHWBXSA-N 1 0 292.814 3.046 20 70 CGIDRO C[C@H](c1cccc2ccccc21)N1CCC[C@@H]([NH3+])C1 ZINC000217491959 376175261 /nfs/dbraw/zinc/17/52/61/376175261.db2.gz PNTPXZZIXQNRDM-UKRRQHHQSA-N 1 0 254.377 3.324 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217680538 376179870 /nfs/dbraw/zinc/17/98/70/376179870.db2.gz HJDCDKXKPCABKR-MAZHCROVSA-N 1 0 262.372 3.103 20 70 CGIDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000218248567 376186862 /nfs/dbraw/zinc/18/68/62/376186862.db2.gz UTNIBJGCMXHQTE-XHDPSFHLSA-N 1 0 269.360 3.036 20 70 CGIDRO CCCn1nccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000159976064 542152161 /nfs/dbraw/zinc/15/21/61/542152161.db2.gz MOEUDOBQCXVJPC-UHFFFAOYSA-N 1 0 277.799 3.279 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000160015826 542153368 /nfs/dbraw/zinc/15/33/68/542153368.db2.gz OBTZBODUCMAKHP-NSHDSACASA-N 1 0 279.334 3.422 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)[C@H](C)[NH+](C)C ZINC000160888788 542156402 /nfs/dbraw/zinc/15/64/02/542156402.db2.gz AVMHBQDLVGOJBK-NSHDSACASA-N 1 0 266.410 3.076 20 70 CGIDRO CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161035740 542157162 /nfs/dbraw/zinc/15/71/62/542157162.db2.gz WYLWTXIQDDAYLY-OWCLPIDISA-N 1 0 280.456 3.369 20 70 CGIDRO C[C@@H](CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000216730068 392993015 /nfs/dbraw/zinc/99/30/15/392993015.db2.gz RDJFICVOSDVNRJ-QLFBSQMISA-N 1 0 294.483 3.438 20 70 CGIDRO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(C)[nH]1 ZINC000218587248 392997273 /nfs/dbraw/zinc/99/72/73/392997273.db2.gz VQLKKYIMNCOAJR-RISCZKNCSA-N 1 0 262.397 3.325 20 70 CGIDRO c1cc2c(cc1[C@@H]([NH2+][C@H]1CCSC1)C1CC1)OCCO2 ZINC000161123342 304852583 /nfs/dbraw/zinc/85/25/83/304852583.db2.gz JCVOGCJFXKLUSS-BBRMVZONSA-N 1 0 291.416 3.004 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)[C@@H](C)c1nc2ccccc2s1 ZINC000160621018 287016510 /nfs/dbraw/zinc/01/65/10/287016510.db2.gz WVLZAICZGAWCSA-GHMZBOCLSA-N 1 0 278.421 3.149 20 70 CGIDRO C[C@@H]1CC[C@@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000159548059 278587932 /nfs/dbraw/zinc/58/79/32/278587932.db2.gz GKAZKGFVJFSAKM-RHSMWYFYSA-N 1 0 286.419 3.227 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000159458411 280060223 /nfs/dbraw/zinc/06/02/23/280060223.db2.gz ZGGNZTPAMCPIEG-IHRRRGAJSA-N 1 0 257.443 3.065 20 70 CGIDRO O=C1C[C@H](c2ccccc2)[N@H+](CCC2CCCC2)CCN1 ZINC000159483555 280273638 /nfs/dbraw/zinc/27/36/38/280273638.db2.gz XUYHCQIMZKGUHM-QGZVFWFLSA-N 1 0 286.419 3.130 20 70 CGIDRO CC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000159735836 321839664 /nfs/dbraw/zinc/83/96/64/321839664.db2.gz QSHXSHWVGIPFSZ-UHFFFAOYSA-N 1 0 286.419 3.089 20 70 CGIDRO CC[NH+]1CCC(NC(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000160336495 321850330 /nfs/dbraw/zinc/85/03/30/321850330.db2.gz VMYZJIIGNJJPSB-CQSZACIVSA-N 1 0 280.456 3.193 20 70 CGIDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160566016 321853685 /nfs/dbraw/zinc/85/36/85/321853685.db2.gz YRAGODPFIURBNA-BJJXKVORSA-N 1 0 293.455 3.148 20 70 CGIDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)o1 ZINC000160553853 533746419 /nfs/dbraw/zinc/74/64/19/533746419.db2.gz ACQVNNZKJCFYLR-BZPMIXESSA-N 1 0 263.381 3.450 20 70 CGIDRO O=C(CCC[NH+]1C[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000160039196 534342876 /nfs/dbraw/zinc/34/28/76/534342876.db2.gz FLHWJOLJAZMEJK-HZPDHXFCSA-N 1 0 257.377 3.381 20 70 CGIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000161291410 520633617 /nfs/dbraw/zinc/63/36/17/520633617.db2.gz NUIXYWMRUPWTHI-HRCADAONSA-N 1 0 282.472 3.439 20 70 CGIDRO CCc1nn(C)cc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160977100 522690871 /nfs/dbraw/zinc/69/08/71/522690871.db2.gz QTPFJTGAQOKFTR-UHFFFAOYSA-N 1 0 281.762 3.065 20 70 CGIDRO C[C@H](CC1CC1)[NH2+]Cc1cncc(Br)c1 ZINC000160578380 524096718 /nfs/dbraw/zinc/09/67/18/524096718.db2.gz CCZPHCBUTDNIDU-SECBINFHSA-N 1 0 269.186 3.122 20 70 CGIDRO C[C@H]1CCC[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160634789 524176512 /nfs/dbraw/zinc/17/65/12/524176512.db2.gz JVNILEALBWWLID-ULQDDVLXSA-N 1 0 294.483 3.441 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000159876553 526314238 /nfs/dbraw/zinc/31/42/38/526314238.db2.gz AXZXAGGRECDMNQ-HNNXBMFYSA-N 1 0 294.464 3.484 20 70 CGIDRO Cc1nccn1CCCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000161453469 527392737 /nfs/dbraw/zinc/39/27/37/527392737.db2.gz CIRFGOCYCLKICI-UHFFFAOYSA-N 1 0 289.398 3.285 20 70 CGIDRO CCSCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000160032931 529180214 /nfs/dbraw/zinc/18/02/14/529180214.db2.gz DWRWYECFWMZJMU-CQSZACIVSA-N 1 0 265.422 3.238 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000160555759 282125645 /nfs/dbraw/zinc/12/56/45/282125645.db2.gz FCJZLQSKWLULOW-GOEBONIOSA-N 1 0 298.434 3.177 20 70 CGIDRO Cn1ccc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)c1 ZINC000160622925 530009863 /nfs/dbraw/zinc/00/98/63/530009863.db2.gz QWRMKPCRDYNKBU-UHFFFAOYSA-N 1 0 280.318 3.259 20 70 CGIDRO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cn2ccccc2n1 ZINC000159420573 188424902 /nfs/dbraw/zinc/42/49/02/188424902.db2.gz IYELVIIOJIIYQL-LBPRGKRZSA-N 1 0 277.437 3.344 20 70 CGIDRO Cc1ccsc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159580916 188433067 /nfs/dbraw/zinc/43/30/67/188433067.db2.gz XTAPOQGAOIEESW-BNOWGMLFSA-N 1 0 263.406 3.104 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000160329274 188466466 /nfs/dbraw/zinc/46/64/66/188466466.db2.gz XFUDZILLZUGMGG-HOCLYGCPSA-N 1 0 277.408 3.203 20 70 CGIDRO C[NH2+]C[C@@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000161454766 188528039 /nfs/dbraw/zinc/52/80/39/188528039.db2.gz IXQVOHXRHZDMOZ-UPJWGTAASA-N 1 0 296.842 3.146 20 70 CGIDRO CCOCCC[N@H+](Cc1ccco1)C1CCCC1 ZINC000159369974 372135852 /nfs/dbraw/zinc/13/58/52/372135852.db2.gz QAXMBSFTQYOZKF-UHFFFAOYSA-N 1 0 251.370 3.451 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)o1 ZINC000159431892 372142648 /nfs/dbraw/zinc/14/26/48/372142648.db2.gz GESAFYBJTQDDPM-HIFRSBDPSA-N 1 0 253.386 3.426 20 70 CGIDRO CC(C)c1ccc(C2(CNC(=O)[C@H](C)[NH3+])CCCC2)cc1 ZINC000159473035 372147252 /nfs/dbraw/zinc/14/72/52/372147252.db2.gz UQZZIGVBRFZOBA-AWEZNQCLSA-N 1 0 288.435 3.085 20 70 CGIDRO Clc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159540410 372153827 /nfs/dbraw/zinc/15/38/27/372153827.db2.gz DCBCARBPKXHMRL-UHTWSYAYSA-N 1 0 283.824 3.449 20 70 CGIDRO c1ccc(C[N@H+](CCOCC2CC2)C[C@@H]2CCCO2)cc1 ZINC000159548665 372154284 /nfs/dbraw/zinc/15/42/84/372154284.db2.gz TVSOHIQESYALCP-SFHVURJKSA-N 1 0 289.419 3.094 20 70 CGIDRO Fc1ccc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606293 372161602 /nfs/dbraw/zinc/16/16/02/372161602.db2.gz HOAVZTVNKSFAQD-CFVMTHIKSA-N 1 0 279.330 3.012 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000159698273 372169887 /nfs/dbraw/zinc/16/98/87/372169887.db2.gz JTYAXRSUIJBGQD-HNNXBMFYSA-N 1 0 255.365 3.099 20 70 CGIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCc2ccc(F)cc21 ZINC000159701701 372170506 /nfs/dbraw/zinc/17/05/06/372170506.db2.gz FKXVHMNIZMOJKT-XKQJLSEDSA-N 1 0 277.383 3.296 20 70 CGIDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[C@@H]1O ZINC000159746345 372176511 /nfs/dbraw/zinc/17/65/11/372176511.db2.gz HGGDLFJNFZZSSF-JSGCOSHPSA-N 1 0 287.325 3.298 20 70 CGIDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763562 372178395 /nfs/dbraw/zinc/17/83/95/372178395.db2.gz BDEHNURFLMUXKD-SJORKVTESA-N 1 0 289.419 3.193 20 70 CGIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)CCC2 ZINC000160091212 372212040 /nfs/dbraw/zinc/21/20/40/372212040.db2.gz WJLKIOHIXKZXJL-CQSZACIVSA-N 1 0 273.420 3.379 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160156866 372217950 /nfs/dbraw/zinc/21/79/50/372217950.db2.gz OSGKUNZRCXNAGJ-RHSMWYFYSA-N 1 0 286.419 3.271 20 70 CGIDRO COc1c(C)cc(C[N@H+](C)CCOCC2CC2)cc1C ZINC000160194563 372224015 /nfs/dbraw/zinc/22/40/15/372224015.db2.gz PMPKUCQICOLPCR-UHFFFAOYSA-N 1 0 277.408 3.170 20 70 CGIDRO CC[C@H](C[NH2+][C@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317250 372237228 /nfs/dbraw/zinc/23/72/28/372237228.db2.gz GABHVGVUSGSCKU-TZMCWYRMSA-N 1 0 291.370 3.067 20 70 CGIDRO C[C@](O)(C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871837 372188541 /nfs/dbraw/zinc/18/85/41/372188541.db2.gz HVZAXYVJBWLNFH-CVEARBPZSA-N 1 0 291.391 3.372 20 70 CGIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccnc1Cl ZINC000159957923 372197489 /nfs/dbraw/zinc/19/74/89/372197489.db2.gz YXWJXRMXHHIWQS-IINYFYTJSA-N 1 0 296.823 3.355 20 70 CGIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159964370 372200018 /nfs/dbraw/zinc/20/00/18/372200018.db2.gz KVCBYWHSTXVBCQ-JLZZUVOBSA-N 1 0 287.428 3.479 20 70 CGIDRO CC(C)CC[C@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160044576 372206841 /nfs/dbraw/zinc/20/68/41/372206841.db2.gz VZNINDIATOILJZ-GXTWGEPZSA-N 1 0 255.427 3.370 20 70 CGIDRO CC(C)[NH+](CCSCC(=O)Nc1ccccc1)C(C)C ZINC000160927589 372289304 /nfs/dbraw/zinc/28/93/04/372289304.db2.gz CGLZIKAQTOFLFQ-UHFFFAOYSA-N 1 0 294.464 3.477 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161008929 372295016 /nfs/dbraw/zinc/29/50/16/372295016.db2.gz LPFLHDUTRMZDLR-DLBZAZTESA-N 1 0 292.467 3.051 20 70 CGIDRO CCC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160462988 372249563 /nfs/dbraw/zinc/24/95/63/372249563.db2.gz WEHULPRFAGJZPS-JKSUJKDBSA-N 1 0 290.455 3.240 20 70 CGIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000160538156 372255767 /nfs/dbraw/zinc/25/57/67/372255767.db2.gz YSJMTDDVYQKWHO-WMLDXEAASA-N 1 0 288.435 3.124 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C(C)(C)C ZINC000161074547 372300810 /nfs/dbraw/zinc/30/08/10/372300810.db2.gz QQUCIIDDXHUOEE-OAHLLOKOSA-N 1 0 298.430 3.421 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC000160547452 372257575 /nfs/dbraw/zinc/25/75/75/372257575.db2.gz OOCTUUMPRNUSNQ-UKRRQHHQSA-N 1 0 294.464 3.088 20 70 CGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc2c(s1)CCC2 ZINC000160556267 372257640 /nfs/dbraw/zinc/25/76/40/372257640.db2.gz ZEKYLBDJEWMXRU-BNOWGMLFSA-N 1 0 279.449 3.439 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(SCC(F)F)cc1 ZINC000160590464 372261390 /nfs/dbraw/zinc/26/13/90/372261390.db2.gz IRTFTLKPVLBFQS-SNVBAGLBSA-N 1 0 289.391 3.465 20 70 CGIDRO CN(Cc1ccc2c[nH]nc2c1)Cc1ccccc1F ZINC000160726058 372270630 /nfs/dbraw/zinc/27/06/30/372270630.db2.gz QXMHACYMMHDVMP-UHFFFAOYSA-N 1 0 269.323 3.334 20 70 CGIDRO Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CC[C@H]([NH3+])C2)c1C ZINC000160721295 372270773 /nfs/dbraw/zinc/27/07/73/372270773.db2.gz ZKQASOMWHLUKJW-YQQAZPJKSA-N 1 0 286.419 3.094 20 70 CGIDRO COC(C[N@@H+]1Cc2ccccc2C[C@H]1c1ccccc1)OC ZINC000161289859 372314461 /nfs/dbraw/zinc/31/44/61/372314461.db2.gz GPSGXLVGFQYTAG-SFHVURJKSA-N 1 0 297.398 3.405 20 70 CGIDRO CC1(C)CCC[C@H](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000161292429 372315093 /nfs/dbraw/zinc/31/50/93/372315093.db2.gz SOLLTVOIBUCBGQ-CQSZACIVSA-N 1 0 292.467 3.336 20 70 CGIDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(Cl)c1F ZINC000161480099 372327543 /nfs/dbraw/zinc/32/75/43/372327543.db2.gz VNQCNNNUMDJNMV-JOYOIKCWSA-N 1 0 259.752 3.291 20 70 CGIDRO COc1cc([C@H](C)[NH2+]C2CCN(C)CC2)ccc1SC ZINC000161501799 372329395 /nfs/dbraw/zinc/32/93/95/372329395.db2.gz SBLIWZCXFWNJGJ-LBPRGKRZSA-N 1 0 294.464 3.162 20 70 CGIDRO CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161501765 372329683 /nfs/dbraw/zinc/32/96/83/372329683.db2.gz XMNHZNFAAQDCTG-PWSUYJOCSA-N 1 0 296.798 3.195 20 70 CGIDRO Cc1ccc(NC(=O)C(C)(C)[NH3+])cc1OCCC(C)C ZINC000161509434 372331310 /nfs/dbraw/zinc/33/13/10/372331310.db2.gz ZWNKKONCMSKQCK-UHFFFAOYSA-N 1 0 278.396 3.096 20 70 CGIDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159410000 542149778 /nfs/dbraw/zinc/14/97/78/542149778.db2.gz AIELEKLITUFMAJ-IAGOWNOFSA-N 1 0 284.403 3.325 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccccc1OC ZINC000159974517 542151393 /nfs/dbraw/zinc/15/13/93/542151393.db2.gz ZZJCQCKMFPDWGF-ZDUSSCGKSA-N 1 0 273.380 3.153 20 70 CGIDRO CC[C@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000160133134 542153109 /nfs/dbraw/zinc/15/31/09/542153109.db2.gz FLGJOZZWPNCQIN-SFHVURJKSA-N 1 0 294.398 3.295 20 70 CGIDRO CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000161285189 542157890 /nfs/dbraw/zinc/15/78/90/542157890.db2.gz PGKFSHMIVCRKJR-NEPJUHHUSA-N 1 0 294.826 3.004 20 70 CGIDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2ccc(F)cc2s1 ZINC000161204467 542158028 /nfs/dbraw/zinc/15/80/28/542158028.db2.gz NKYCUDBBVMDXBS-GFCCVEGCSA-N 1 0 294.395 3.144 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNc1nc2ccc(N)cc2s1 ZINC000218729058 542286702 /nfs/dbraw/zinc/28/67/02/542286702.db2.gz DTBQJWMCFZLQDA-SNVBAGLBSA-N 1 0 278.425 3.021 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159934786 392580386 /nfs/dbraw/zinc/58/03/86/392580386.db2.gz GRMKFTXSBIVWQK-QWHCGFSZSA-N 1 0 287.407 3.182 20 70 CGIDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCSC2)CN1Cc1ccccc1 ZINC000159548657 392581025 /nfs/dbraw/zinc/58/10/25/392581025.db2.gz JIOMBDOBIXAZEI-OIISXLGYSA-N 1 0 290.476 3.135 20 70 CGIDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](C)C2)c(F)c1 ZINC000218674153 392997762 /nfs/dbraw/zinc/99/77/62/392997762.db2.gz DGOLAIPTXRGWEF-CHWSQXEVSA-N 1 0 278.371 3.193 20 70 CGIDRO CCc1ccc([C@@H](CC)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160258435 165477714 /nfs/dbraw/zinc/47/77/14/165477714.db2.gz GNGRHKIVAAAPLY-JKSUJKDBSA-N 1 0 281.465 3.404 20 70 CGIDRO CO[C@@]1(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CCOC1 ZINC000160101669 274073861 /nfs/dbraw/zinc/07/38/61/274073861.db2.gz NWOBYKQKTQAEMM-SJLPKXTDSA-N 1 0 289.419 3.194 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000159451786 276398533 /nfs/dbraw/zinc/39/85/33/276398533.db2.gz NXOHMMIVWODTET-GZBFAFLISA-N 1 0 293.480 3.451 20 70 CGIDRO C[NH+](C)[C@H]1CCC[C@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000161091759 289380602 /nfs/dbraw/zinc/38/06/02/289380602.db2.gz LEKPSWFVYIVIEN-YQQAZPJKSA-N 1 0 288.435 3.363 20 70 CGIDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159534835 321836883 /nfs/dbraw/zinc/83/68/83/321836883.db2.gz FTBGFDKLEPDRFT-ZIAGYGMSSA-N 1 0 292.448 3.197 20 70 CGIDRO COC[C@H]([NH2+]CCCc1cccc(F)c1)C(C)C ZINC000159796534 321840739 /nfs/dbraw/zinc/84/07/39/321840739.db2.gz WBNMOMKLBWYIGL-HNNXBMFYSA-N 1 0 253.361 3.019 20 70 CGIDRO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)C(C)C ZINC000160082657 321846257 /nfs/dbraw/zinc/84/62/57/321846257.db2.gz INSPMDUPHPQQKD-CQSZACIVSA-N 1 0 250.386 3.393 20 70 CGIDRO CC(C)(O)CC[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000160253695 321849193 /nfs/dbraw/zinc/84/91/93/321849193.db2.gz ISZDDRQIYCKZTR-UHFFFAOYSA-N 1 0 261.409 3.293 20 70 CGIDRO CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000160336632 321850387 /nfs/dbraw/zinc/85/03/87/321850387.db2.gz WUKAHNKROUSABG-ARFHVFGLSA-N 1 0 292.467 3.193 20 70 CGIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]1CCc1ccccc1 ZINC000160652254 321855361 /nfs/dbraw/zinc/85/53/61/321855361.db2.gz CIKQNZHMZQZUCZ-HZPDHXFCSA-N 1 0 261.409 3.148 20 70 CGIDRO c1ccc2c(c1)CC[C@@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161119738 321862731 /nfs/dbraw/zinc/86/27/31/321862731.db2.gz CBYCWMVOVWGACX-INIZCTEOSA-N 1 0 281.355 3.235 20 70 CGIDRO CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000161371616 321866773 /nfs/dbraw/zinc/86/67/73/321866773.db2.gz CXMXSOYOHUOPMV-XJKSGUPXSA-N 1 0 277.383 3.262 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000161422584 321867202 /nfs/dbraw/zinc/86/72/02/321867202.db2.gz FKYCYLXXFQTKTI-ZACQAIPSSA-N 1 0 261.409 3.148 20 70 CGIDRO OC[C@H](C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000161407558 321867208 /nfs/dbraw/zinc/86/72/08/321867208.db2.gz HHRMPVOPJCMQDK-YJBOKZPZSA-N 1 0 285.362 3.179 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@H](C)c2cncc(F)c2)n1 ZINC000160811401 519902950 /nfs/dbraw/zinc/90/29/50/519902950.db2.gz PMGHHIYLUHEZAQ-LLVKDONJSA-N 1 0 292.358 3.011 20 70 CGIDRO COC[C@@H]([NH2+]CCCCc1nc(C)cs1)C(C)C ZINC000160694966 522352951 /nfs/dbraw/zinc/35/29/51/522352951.db2.gz CPEWONKPEREBBM-CYBMUJFWSA-N 1 0 270.442 3.035 20 70 CGIDRO O=C(CCC[NH2+][C@@H]1CCSC1)Nc1ccc(Cl)cc1 ZINC000160801159 526444541 /nfs/dbraw/zinc/44/45/41/526444541.db2.gz CPJYYLAUANPVID-CYBMUJFWSA-N 1 0 298.839 3.154 20 70 CGIDRO OCC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccccc1 ZINC000160981479 527561975 /nfs/dbraw/zinc/56/19/75/527561975.db2.gz SVJDKUTVUUXRJH-RTBURBONSA-N 1 0 281.399 3.257 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1coc2ccccc12 ZINC000161081719 527580443 /nfs/dbraw/zinc/58/04/43/527580443.db2.gz HJYPRNBVNGHDQT-OAHLLOKOSA-N 1 0 281.359 3.334 20 70 CGIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000160361384 527764646 /nfs/dbraw/zinc/76/46/46/527764646.db2.gz RNKUWDJHQZQBRR-NUEKZKHPSA-N 1 0 280.456 3.238 20 70 CGIDRO CC(C)CO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1(C)C ZINC000159959640 528132382 /nfs/dbraw/zinc/13/23/82/528132382.db2.gz MPFGEECIFPUPMK-QLFBSQMISA-N 1 0 283.456 3.373 20 70 CGIDRO CCOc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000160470568 528465582 /nfs/dbraw/zinc/46/55/82/528465582.db2.gz XPTIUVVVOZXVEU-AWEZNQCLSA-N 1 0 293.407 3.141 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000160300704 528652753 /nfs/dbraw/zinc/65/27/53/528652753.db2.gz GJICRBYSRQSLFN-KBPBESRZSA-N 1 0 272.396 3.034 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](c2ccccc2)C[C@H](C)C1 ZINC000161004904 529133061 /nfs/dbraw/zinc/13/30/61/529133061.db2.gz DYOVGCXQOXDATP-USXIJHARSA-N 1 0 288.435 3.073 20 70 CGIDRO CCCc1sc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1CC ZINC000161145046 572337816 /nfs/dbraw/zinc/33/78/16/572337816.db2.gz KEXNEZSAUUMOTL-STQMWFEESA-N 1 0 294.464 3.263 20 70 CGIDRO Cc1nc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217630036 572395622 /nfs/dbraw/zinc/39/56/22/572395622.db2.gz DMJATZLQANXLHV-BPNCWPANSA-N 1 0 279.453 3.037 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000160898383 282092214 /nfs/dbraw/zinc/09/22/14/282092214.db2.gz PYVQBHRPXWIPKT-OLZOCXBDSA-N 1 0 257.381 3.263 20 70 CGIDRO CC(C)[NH2+]CCC(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160301637 346170296 /nfs/dbraw/zinc/17/02/96/346170296.db2.gz ZOURRZWRPRNBBR-UHFFFAOYSA-N 1 0 288.313 3.118 20 70 CGIDRO C[C@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccs1 ZINC000159659455 188435352 /nfs/dbraw/zinc/43/53/52/188435352.db2.gz HPDBXXQDIIZWSL-ZDUSSCGKSA-N 1 0 294.464 3.280 20 70 CGIDRO [NH3+]C1(c2noc(C3C4CC5CC(C4)CC3C5)n2)CCCC1 ZINC000160250951 188462284 /nfs/dbraw/zinc/46/22/84/188462284.db2.gz RIXIXFUFQDTLRP-UHFFFAOYSA-N 1 0 287.407 3.337 20 70 CGIDRO CC(C)C[C@@H]1CCCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000160875756 188496787 /nfs/dbraw/zinc/49/67/87/188496787.db2.gz CYPONYDZDCBESC-HMQMGEFJSA-N 1 0 292.467 3.334 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000161067100 188506451 /nfs/dbraw/zinc/50/64/51/188506451.db2.gz NFFNWOZCWADXCV-KBPBESRZSA-N 1 0 276.424 3.349 20 70 CGIDRO CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779630 372180075 /nfs/dbraw/zinc/18/00/75/372180075.db2.gz IXFWBZKLZUWEGR-CQSZACIVSA-N 1 0 280.799 3.177 20 70 CGIDRO CC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000159455119 372144334 /nfs/dbraw/zinc/14/43/34/372144334.db2.gz JLVXCZYZSYHXJU-QGZVFWFLSA-N 1 0 271.408 3.320 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000159457339 372146339 /nfs/dbraw/zinc/14/63/39/372146339.db2.gz VJUIPOWYZPMHNC-QEJZJMRPSA-N 1 0 271.470 3.455 20 70 CGIDRO c1c2ccccc2oc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159491221 372148838 /nfs/dbraw/zinc/14/88/38/372148838.db2.gz CXRWXOHYHUXGQJ-XIRDDKMYSA-N 1 0 283.371 3.480 20 70 CGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc2ccccc2o1 ZINC000159577061 372157412 /nfs/dbraw/zinc/15/74/12/372157412.db2.gz WOUHYGCKRMHTRR-CYBMUJFWSA-N 1 0 286.375 3.096 20 70 CGIDRO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCSC2)cn1 ZINC000159640454 372164030 /nfs/dbraw/zinc/16/40/30/372164030.db2.gz DUUCOPYVURJWQW-YPMHNXCESA-N 1 0 253.415 3.010 20 70 CGIDRO COC(=O)c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)oc1C ZINC000159651449 372165110 /nfs/dbraw/zinc/16/51/10/372165110.db2.gz QSZLATMCIXNXEN-WFASDCNBSA-N 1 0 277.364 3.139 20 70 CGIDRO CCSCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159702123 372172496 /nfs/dbraw/zinc/17/24/96/372172496.db2.gz QUMWNHQBQRZZNX-CQSZACIVSA-N 1 0 250.411 3.280 20 70 CGIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCc2c1cccc2Cl ZINC000159721902 372174121 /nfs/dbraw/zinc/17/41/21/372174121.db2.gz JVGMTZLAZBZNBC-XZJROXQQSA-N 1 0 279.811 3.420 20 70 CGIDRO Clc1ccccc1[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159764832 372177452 /nfs/dbraw/zinc/17/74/52/372177452.db2.gz GPRHCIVUGOOZJE-OAHLLOKOSA-N 1 0 275.783 3.374 20 70 CGIDRO CCc1nc(C)c([C@@H](C)NCC[N@@H+](C)[C@@H](C)CC)s1 ZINC000160063623 372209291 /nfs/dbraw/zinc/20/92/91/372209291.db2.gz BEJHYBTZCUTQLF-NWDGAFQWSA-N 1 0 283.485 3.395 20 70 CGIDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000160143067 372216527 /nfs/dbraw/zinc/21/65/27/372216527.db2.gz BLCMZPHUZURCFN-BVUBDWEXSA-N 1 0 259.393 3.459 20 70 CGIDRO Cc1cccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000160188077 372222046 /nfs/dbraw/zinc/22/20/46/372222046.db2.gz BLCMZPHUZURCFN-XZDPQHSOSA-N 1 0 259.393 3.459 20 70 CGIDRO CC[C@@H]([NH2+][C@@H](C)c1ccco1)c1c(C)nn(C)c1C ZINC000160226800 372227495 /nfs/dbraw/zinc/22/74/95/372227495.db2.gz KTIYWMZWVSGKIP-GXFFZTMASA-N 1 0 261.369 3.432 20 70 CGIDRO CC[C@H]([NH2+]CCOc1cccc(Cl)c1)c1cnn(C)c1 ZINC000160250686 372229530 /nfs/dbraw/zinc/22/95/30/372229530.db2.gz YQUZFZBMKHDMAY-HNNXBMFYSA-N 1 0 293.798 3.193 20 70 CGIDRO COc1cccc(C[NH2+][C@@H](C)c2cccc(C)c2)n1 ZINC000160243481 372229860 /nfs/dbraw/zinc/22/98/60/372229860.db2.gz KPKDTVSRUUUELZ-ZDUSSCGKSA-N 1 0 256.349 3.249 20 70 CGIDRO CC(C)CCOc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000160303777 372236149 /nfs/dbraw/zinc/23/61/49/372236149.db2.gz KGWFTJFFTIFZHG-INIZCTEOSA-N 1 0 290.407 3.192 20 70 CGIDRO CCCN(C(=O)c1cccc(C)c1Cl)C1CC[NH2+]CC1 ZINC000160387725 372242985 /nfs/dbraw/zinc/24/29/85/372242985.db2.gz LPAKTSOCGJGSAT-UHFFFAOYSA-N 1 0 294.826 3.253 20 70 CGIDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000159811174 372183138 /nfs/dbraw/zinc/18/31/38/372183138.db2.gz BWCBGUFPYQWXHA-QGZVFWFLSA-N 1 0 289.419 3.129 20 70 CGIDRO CSc1cc2c(cc1C[NH2+]C1(C)CCC1)OCCO2 ZINC000159929055 372195046 /nfs/dbraw/zinc/19/50/46/372195046.db2.gz HZYWLOGXDBJZGM-UHFFFAOYSA-N 1 0 279.405 3.212 20 70 CGIDRO CCc1oc2ccccc2c1C[N@H+](C)CC(OC)OC ZINC000160349180 372240886 /nfs/dbraw/zinc/24/08/86/372240886.db2.gz BFLVTXOEXPOQME-UHFFFAOYSA-N 1 0 277.364 3.046 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000159946004 372196852 /nfs/dbraw/zinc/19/68/52/372196852.db2.gz CBCAGXTXMOBTMI-VNHYZAJKSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H](C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1 ZINC000160962601 372291127 /nfs/dbraw/zinc/29/11/27/372291127.db2.gz NGUULCOWTGMCHQ-BBRMVZONSA-N 1 0 282.387 3.146 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047884 372299079 /nfs/dbraw/zinc/29/90/79/372299079.db2.gz ZCNHJGPIAFKNQF-AVGNSLFASA-N 1 0 281.831 3.258 20 70 CGIDRO C[N@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc(F)c1 ZINC000160459225 372247596 /nfs/dbraw/zinc/24/75/96/372247596.db2.gz NLQLBVGODXRLSJ-UHFFFAOYSA-N 1 0 269.323 3.334 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cnc(C3CC3)s2)CCO1 ZINC000160468838 372250485 /nfs/dbraw/zinc/25/04/85/372250485.db2.gz BVBXAOFYSBPBOW-LLVKDONJSA-N 1 0 266.410 3.068 20 70 CGIDRO CCc1cc(C)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC000160517931 372254476 /nfs/dbraw/zinc/25/44/76/372254476.db2.gz GLSQLGZNLZDZPM-CQSZACIVSA-N 1 0 292.423 3.001 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160586092 372260729 /nfs/dbraw/zinc/26/07/29/372260729.db2.gz DSSMAPSGNWQYAM-KBPBESRZSA-N 1 0 296.480 3.163 20 70 CGIDRO Cc1cccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000160833835 372279763 /nfs/dbraw/zinc/27/97/63/372279763.db2.gz GUQUXLVFFVUZTM-QAPCUYQASA-N 1 0 296.414 3.051 20 70 CGIDRO C[C@@H](c1ccco1)N(C)Cc1nnc(-c2ccccc2)n1C ZINC000160868896 372283568 /nfs/dbraw/zinc/28/35/68/372283568.db2.gz BTDLQJLZODMBMY-ZDUSSCGKSA-N 1 0 296.374 3.268 20 70 CGIDRO CCc1cc(=O)[nH]c(CN(C)[C@H](C)c2ccc(C)cc2)n1 ZINC000160871272 372283903 /nfs/dbraw/zinc/28/39/03/372283903.db2.gz DXQJCKNUQMOVAX-CYBMUJFWSA-N 1 0 285.391 3.246 20 70 CGIDRO COC[C@@H]([NH2+]C[C@@H](C)COCc1ccccc1)C(C)C ZINC000161307560 372316575 /nfs/dbraw/zinc/31/65/75/372316575.db2.gz XKGANAGHGNJJOF-NVXWUHKLSA-N 1 0 279.424 3.100 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNCc1ccccc1OC(C)C ZINC000217375095 376172573 /nfs/dbraw/zinc/17/25/73/376172573.db2.gz NQSZTNCDQADCMN-HNNXBMFYSA-N 1 0 278.440 3.294 20 70 CGIDRO CCN(CC[NH2+]Cc1cccc(C2CC2)c1)C1CC1 ZINC000217414196 376174375 /nfs/dbraw/zinc/17/43/75/376174375.db2.gz HZCIEMYKVMVTDZ-UHFFFAOYSA-N 1 0 258.409 3.138 20 70 CGIDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000218133739 376184944 /nfs/dbraw/zinc/18/49/44/376184944.db2.gz RYJVBHJIKYGBKJ-UONOGXRCSA-N 1 0 271.408 3.489 20 70 CGIDRO C[C@@H]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000218460361 376186969 /nfs/dbraw/zinc/18/69/69/376186969.db2.gz GDZOCIUQGYHYGB-FVQBIDKESA-N 1 0 274.408 3.019 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@H](C)C1CCCCC1 ZINC000159880756 542151920 /nfs/dbraw/zinc/15/19/20/542151920.db2.gz UESCNOMMDPJMHU-QWHCGFSZSA-N 1 0 289.485 3.004 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000160112193 542153386 /nfs/dbraw/zinc/15/33/86/542153386.db2.gz FERMXAPMNNCQQN-BLLLJJGKSA-N 1 0 264.388 3.133 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccsc2)cc1OC ZINC000160827593 542155898 /nfs/dbraw/zinc/15/58/98/542155898.db2.gz DMHCYWMZZHHKQL-UHFFFAOYSA-N 1 0 277.389 3.397 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000161197180 285200393 /nfs/dbraw/zinc/20/03/93/285200393.db2.gz IKQZXNBDXKDNEE-ZIAGYGMSSA-N 1 0 293.480 3.293 20 70 CGIDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160485681 392581920 /nfs/dbraw/zinc/58/19/20/392581920.db2.gz PXAPVUJVWDZCTQ-OAHLLOKOSA-N 1 0 257.381 3.345 20 70 CGIDRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688703 392994732 /nfs/dbraw/zinc/99/47/32/392994732.db2.gz QXHIAKIVLZHVSM-ULQDDVLXSA-N 1 0 276.399 3.493 20 70 CGIDRO CCc1ncnc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1F ZINC000217985773 392995881 /nfs/dbraw/zinc/99/58/81/392995881.db2.gz BZGIEPJTRBWKCC-WBMJQRKESA-N 1 0 294.418 3.101 20 70 CGIDRO CCc1ncnc(NCCC[N@H+](C)C2CCCCC2)c1F ZINC000217966060 392996659 /nfs/dbraw/zinc/99/66/59/392996659.db2.gz RFCRBRSBZJIXEB-UHFFFAOYSA-N 1 0 294.418 3.245 20 70 CGIDRO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C)[nH]1 ZINC000218587177 392998518 /nfs/dbraw/zinc/99/85/18/392998518.db2.gz VQLKKYIMNCOAJR-BXUZGUMPSA-N 1 0 262.397 3.325 20 70 CGIDRO OC1(C[NH2+]C/C=C\c2ccccc2)CCCCCC1 ZINC000217663893 270085175 /nfs/dbraw/zinc/08/51/75/270085175.db2.gz OYYNCKQNDVDCQG-FLIBITNWSA-N 1 0 259.393 3.375 20 70 CGIDRO CCC(CC)[C@@H](O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217804273 270085486 /nfs/dbraw/zinc/08/54/86/270085486.db2.gz WPAFGOFSVSNEIP-INIZCTEOSA-N 1 0 291.435 3.287 20 70 CGIDRO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCSC1 ZINC000159533815 274472174 /nfs/dbraw/zinc/47/21/74/274472174.db2.gz GMLRIVQQKPLOHX-BXUZGUMPSA-N 1 0 296.411 3.028 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000159458676 276401056 /nfs/dbraw/zinc/40/10/56/276401056.db2.gz ZGGNZTPAMCPIEG-RDBSUJKOSA-N 1 0 257.443 3.065 20 70 CGIDRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159800922 277733688 /nfs/dbraw/zinc/73/36/88/277733688.db2.gz AIEPUUANOAXRBC-HUUCEWRRSA-N 1 0 260.425 3.067 20 70 CGIDRO COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000159362199 278053872 /nfs/dbraw/zinc/05/38/72/278053872.db2.gz HQQRKJRDNSEWID-LSDHHAIUSA-N 1 0 297.402 3.020 20 70 CGIDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)c2cccc(Br)c21 ZINC000160636351 279965329 /nfs/dbraw/zinc/96/53/29/279965329.db2.gz ZBMYGMTYWVCIPS-JOYOIKCWSA-N 1 0 298.224 3.358 20 70 CGIDRO Cn1cccc1[C@@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161363840 294385788 /nfs/dbraw/zinc/38/57/88/294385788.db2.gz FTQXCSQYJXKBNC-SFHVURJKSA-N 1 0 289.467 3.428 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159820073 298779133 /nfs/dbraw/zinc/77/91/33/298779133.db2.gz HOOMTGWQLFIGGG-CABCVRRESA-N 1 0 284.403 3.377 20 70 CGIDRO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159908588 321842984 /nfs/dbraw/zinc/84/29/84/321842984.db2.gz CGHIXZSOPQFFCR-WMLDXEAASA-N 1 0 288.435 3.399 20 70 CGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccccc3)cn2)CC1 ZINC000160081496 321846310 /nfs/dbraw/zinc/84/63/10/321846310.db2.gz SNJIVFOPEPJDIO-UHFFFAOYSA-N 1 0 297.402 3.167 20 70 CGIDRO COC[C@@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160836630 321858637 /nfs/dbraw/zinc/85/86/37/321858637.db2.gz XNXDBTRXWYSOFJ-ZIAGYGMSSA-N 1 0 280.412 3.020 20 70 CGIDRO CC[NH+](CC)CCNC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000217301265 329432016 /nfs/dbraw/zinc/43/20/16/329432016.db2.gz PYDNQIQIOWJSLL-UHFFFAOYSA-N 1 0 291.439 3.447 20 70 CGIDRO CC[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1OC ZINC000160598498 522568340 /nfs/dbraw/zinc/56/83/40/522568340.db2.gz SEFWVFFLPZWYGP-LBPRGKRZSA-N 1 0 271.788 3.160 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@@H]2CCc3ccccc32)n1 ZINC000160776504 519901779 /nfs/dbraw/zinc/90/17/79/519901779.db2.gz IORFQWSRBXBTIC-OAHLLOKOSA-N 1 0 285.391 3.403 20 70 CGIDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879405 521727980 /nfs/dbraw/zinc/72/79/80/521727980.db2.gz WHRSHVDZHDFYOC-DZGCQCFKSA-N 1 0 289.448 3.440 20 70 CGIDRO COc1cc(C[NH2+]Cc2cc(F)cc(Cl)c2)ccn1 ZINC000160934947 522463561 /nfs/dbraw/zinc/46/35/61/522463561.db2.gz LDRZPSRXGQMJNW-UHFFFAOYSA-N 1 0 280.730 3.173 20 70 CGIDRO C[C@H]([NH2+]CCOc1cccc2ccccc21)c1cnccn1 ZINC000160812456 525360373 /nfs/dbraw/zinc/36/03/73/525360373.db2.gz LYSOFHUJOHOWES-AWEZNQCLSA-N 1 0 293.370 3.359 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131854 525680072 /nfs/dbraw/zinc/68/00/72/525680072.db2.gz DBSLORBFQDQLEA-XBFCOCLRSA-N 1 0 282.378 3.488 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)cn1 ZINC000161296966 572883506 /nfs/dbraw/zinc/88/35/06/572883506.db2.gz UESBJVBTPOXLJT-HNNXBMFYSA-N 1 0 292.386 3.427 20 70 CGIDRO Cc1cscc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000161260212 232249530 /nfs/dbraw/zinc/24/95/30/232249530.db2.gz KJXKLQXEHHSEAG-UHFFFAOYSA-N 1 0 295.452 3.298 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1 ZINC000159669807 346168510 /nfs/dbraw/zinc/16/85/10/346168510.db2.gz MTYRQCVJABNBFJ-WFASDCNBSA-N 1 0 276.355 3.029 20 70 CGIDRO C[C@@H](C(=O)NCC[NH2+]C1CCCCCC1)c1cccs1 ZINC000159659576 188435200 /nfs/dbraw/zinc/43/52/00/188435200.db2.gz HPDBXXQDIIZWSL-CYBMUJFWSA-N 1 0 294.464 3.280 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000160414853 188471900 /nfs/dbraw/zinc/47/19/00/188471900.db2.gz NXYUBLBYJHVVAE-UHFFFAOYSA-N 1 0 294.826 3.005 20 70 CGIDRO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@@H](C)c1ccccc1 ZINC000160891660 188495970 /nfs/dbraw/zinc/49/59/70/188495970.db2.gz DOSNZMNVYZZPQH-ZIAGYGMSSA-N 1 0 282.387 3.067 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)O)[C@H](C)c1nc2ccccc2s1 ZINC000160621418 299277937 /nfs/dbraw/zinc/27/79/37/299277937.db2.gz WVLZAICZGAWCSA-QWRGUYRKSA-N 1 0 278.421 3.149 20 70 CGIDRO COCCN(C)CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000159389393 372138362 /nfs/dbraw/zinc/13/83/62/372138362.db2.gz SXAJBVYUQLPQMK-AWEZNQCLSA-N 1 0 284.469 3.003 20 70 CGIDRO CCc1noc(C)c1C[N@H+](CC)CCc1nccs1 ZINC000159404772 372138940 /nfs/dbraw/zinc/13/89/40/372138940.db2.gz FTYILGWGVRRKFD-UHFFFAOYSA-N 1 0 279.409 3.067 20 70 CGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159477916 372147721 /nfs/dbraw/zinc/14/77/21/372147721.db2.gz LGUMRMXDQZORHP-UWVGGRQHSA-N 1 0 261.287 3.079 20 70 CGIDRO CCC(CC)[C@H]1C[C@@H]([NH2+][C@@H](C)CCn2cccn2)CCO1 ZINC000159496768 372149309 /nfs/dbraw/zinc/14/93/09/372149309.db2.gz OGOPAYLUYGQQPN-BHYGNILZSA-N 1 0 293.455 3.235 20 70 CGIDRO C[C@@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000159628373 372162845 /nfs/dbraw/zinc/16/28/45/372162845.db2.gz FFKLJZMBOAAEIH-SNVBAGLBSA-N 1 0 298.789 3.046 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000159663306 372166223 /nfs/dbraw/zinc/16/62/23/372166223.db2.gz IEOPKQYJNSEORJ-WFASDCNBSA-N 1 0 276.355 3.029 20 70 CGIDRO C[C@@H]([NH2+]CCO)c1ccc(Oc2ccccc2)c(F)c1 ZINC000159688338 372169652 /nfs/dbraw/zinc/16/96/52/372169652.db2.gz PHIZKWMFRPHXAB-GFCCVEGCSA-N 1 0 275.323 3.261 20 70 CGIDRO C[C@H]1CCC[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000159716980 372171311 /nfs/dbraw/zinc/17/13/11/372171311.db2.gz FICARLJCDKSFRB-YOEHRIQHSA-N 1 0 288.435 3.191 20 70 CGIDRO Cc1cc(Cl)cc(C)c1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159730386 372173368 /nfs/dbraw/zinc/17/33/68/372173368.db2.gz CAJFXLYYFMNNHD-UHFFFAOYSA-N 1 0 294.826 3.044 20 70 CGIDRO C[N@H+](CCn1ccnc1)Cc1cc(Cl)cc(Cl)c1 ZINC000159759848 372176687 /nfs/dbraw/zinc/17/66/87/372176687.db2.gz JUVPKLDSWMRINA-UHFFFAOYSA-N 1 0 284.190 3.322 20 70 CGIDRO C[C@@H]1CC[C@@H](C)[NH+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160148878 372218663 /nfs/dbraw/zinc/21/86/63/372218663.db2.gz NXHTZBLPDVDNOP-ZIAGYGMSSA-N 1 0 280.456 3.144 20 70 CGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@@H](OCC(C)C)C2)cc1 ZINC000160170157 372220176 /nfs/dbraw/zinc/22/01/76/372220176.db2.gz QCDOONUIRQFECK-QGZVFWFLSA-N 1 0 289.419 3.315 20 70 CGIDRO C[C@@]1([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CCOC1 ZINC000160184350 372221893 /nfs/dbraw/zinc/22/18/93/372221893.db2.gz SNSBCBBZMULYDJ-MRXNPFEDSA-N 1 0 275.323 3.354 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000160181807 372221908 /nfs/dbraw/zinc/22/19/08/372221908.db2.gz DASFUPJPJNDKJS-CMPLNLGQSA-N 1 0 273.467 3.130 20 70 CGIDRO CC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(F)cc1F ZINC000160287750 372233638 /nfs/dbraw/zinc/23/36/38/372233638.db2.gz KQWMXDZEFGJFAN-FZMZJTMJSA-N 1 0 289.391 3.120 20 70 CGIDRO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1cncc(F)c1 ZINC000160276472 372234158 /nfs/dbraw/zinc/23/41/58/372234158.db2.gz AQQLPOAZGDOVLX-KGLIPLIRSA-N 1 0 279.403 3.136 20 70 CGIDRO COc1cc2c(cc1C[NH2+]C1(C)CCC1)O[C@H](C)C2 ZINC000159927875 372194167 /nfs/dbraw/zinc/19/41/67/372194167.db2.gz YMJJQCQGSDBXQN-LLVKDONJSA-N 1 0 261.365 3.051 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927484 372194747 /nfs/dbraw/zinc/19/47/47/372194747.db2.gz NOOMFIRROKXLNW-KBPBESRZSA-N 1 0 270.376 3.381 20 70 CGIDRO C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000160001399 372203145 /nfs/dbraw/zinc/20/31/45/372203145.db2.gz DEXUZCPYTMUGJL-ZIAGYGMSSA-N 1 0 280.456 3.001 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+]C(C2CC2)C2CC2)cn1 ZINC000160047528 372206597 /nfs/dbraw/zinc/20/65/97/372206597.db2.gz BDUUVRANMFGRMP-UHFFFAOYSA-N 1 0 260.381 3.147 20 70 CGIDRO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160927298 372289312 /nfs/dbraw/zinc/28/93/12/372289312.db2.gz NXSHJZPUHIOULT-QGZVFWFLSA-N 1 0 294.402 3.400 20 70 CGIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533473 372255953 /nfs/dbraw/zinc/25/59/53/372255953.db2.gz VSDJBDBUBOBFBQ-BHDSKKPTSA-N 1 0 287.325 3.306 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccccc21 ZINC000160578229 372259782 /nfs/dbraw/zinc/25/97/82/372259782.db2.gz KECYJUHXSHVDIJ-KBMXLJTQSA-N 1 0 275.392 3.041 20 70 CGIDRO CCSc1ccccc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160610323 372263350 /nfs/dbraw/zinc/26/33/50/372263350.db2.gz YABIAYASEDYSRJ-NSHDSACASA-N 1 0 253.411 3.220 20 70 CGIDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000160819961 372279540 /nfs/dbraw/zinc/27/95/40/372279540.db2.gz ALSMMTLMQIURQA-IINYFYTJSA-N 1 0 255.308 3.042 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160869474 372282798 /nfs/dbraw/zinc/28/27/98/372282798.db2.gz FTWZWVQXPCCTMM-CQSZACIVSA-N 1 0 293.773 3.380 20 70 CGIDRO C[C@@H](c1ccco1)N(C)CCC[NH+]1CCCCC1 ZINC000161299408 372316512 /nfs/dbraw/zinc/31/65/12/372316512.db2.gz WQHFHYROCGHYGM-AWEZNQCLSA-N 1 0 250.386 3.148 20 70 CGIDRO OCCN(Cc1csc(C2CC2)n1)Cc1ccccc1 ZINC000161408601 372322237 /nfs/dbraw/zinc/32/22/37/372322237.db2.gz JAIDGIRQUMJVBF-UHFFFAOYSA-N 1 0 288.416 3.015 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccs1 ZINC000161448331 372325421 /nfs/dbraw/zinc/32/54/21/372325421.db2.gz RZLILCFDWMACQZ-TZMCWYRMSA-N 1 0 261.390 3.175 20 70 CGIDRO Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCCSC1)CCC2 ZINC000159619846 321837076 /nfs/dbraw/zinc/83/70/76/321837076.db2.gz PYIPMHCGDRCGQQ-CMPLNLGQSA-N 1 0 268.451 3.314 20 70 CGIDRO CCn1cc([C@H](C)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000217458639 376174652 /nfs/dbraw/zinc/17/46/52/376174652.db2.gz FDUXBMPXODVXRO-HLLBOEOZSA-N 1 0 292.471 3.064 20 70 CGIDRO CSc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217633184 376176593 /nfs/dbraw/zinc/17/65/93/376176593.db2.gz ZTYFXNHGVLVJPE-CVEARBPZSA-N 1 0 276.449 3.125 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1F ZINC000217672935 376176659 /nfs/dbraw/zinc/17/66/59/376176659.db2.gz CKDMFKCRYLGAIE-UVBJJODRSA-N 1 0 280.362 3.242 20 70 CGIDRO CC(C)[N@H+](C)CCCNCc1cccc2c1OC(C)(C)C2 ZINC000217793746 376180066 /nfs/dbraw/zinc/18/00/66/376180066.db2.gz RZUKAZUOMOVBEM-UHFFFAOYSA-N 1 0 290.451 3.220 20 70 CGIDRO c1cc2cccc(C[NH2+]CCN3CCCCCC3)c2[nH]1 ZINC000218089905 376185377 /nfs/dbraw/zinc/18/53/77/376185377.db2.gz JPAOMSGBMSEYSN-UHFFFAOYSA-N 1 0 271.408 3.134 20 70 CGIDRO c1ccc(CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000159898162 542151781 /nfs/dbraw/zinc/15/17/81/542151781.db2.gz MBDZQJDRLZVXAV-QZTJIDSGSA-N 1 0 272.436 3.226 20 70 CGIDRO COCC[NH+]1CCC(c2ccccc2Br)CC1 ZINC000217258811 392994361 /nfs/dbraw/zinc/99/43/61/392994361.db2.gz VEEHBPXUNAOEIY-UHFFFAOYSA-N 1 0 298.224 3.275 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217768700 392996126 /nfs/dbraw/zinc/99/61/26/392996126.db2.gz SZMICHLXOWWWPG-SUMWQHHRSA-N 1 0 276.424 3.090 20 70 CGIDRO Cc1cc(C)n(CCC[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000218072147 392996682 /nfs/dbraw/zinc/99/66/82/392996682.db2.gz RCYQEZHSSHKGCK-UHFFFAOYSA-N 1 0 282.391 3.161 20 70 CGIDRO C[C@@H](CCC(C)(C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000159773176 165467694 /nfs/dbraw/zinc/46/76/94/165467694.db2.gz IHVMRMSWJUHKTF-KBPBESRZSA-N 1 0 282.472 3.343 20 70 CGIDRO Cc1ccccc1C1CC([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000217693485 270085145 /nfs/dbraw/zinc/08/51/45/270085145.db2.gz OCXXZHFVXSMTEP-VHZYLWGESA-N 1 0 284.447 3.457 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000160279047 278137743 /nfs/dbraw/zinc/13/77/43/278137743.db2.gz GEWWQTLFNJEYHO-JKSUJKDBSA-N 1 0 299.455 3.096 20 70 CGIDRO C[C@H]1CC[C@@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000159548196 279748956 /nfs/dbraw/zinc/74/89/56/279748956.db2.gz GKAZKGFVJFSAKM-WMLDXEAASA-N 1 0 286.419 3.227 20 70 CGIDRO C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217484527 290223816 /nfs/dbraw/zinc/22/38/16/290223816.db2.gz QZWMWRCQADBGMZ-ZWNOBZJWSA-N 1 0 272.314 3.190 20 70 CGIDRO C1CC1c1nc(C2([NH2+]C3CCCC3)CCCC2)no1 ZINC000161381426 321866487 /nfs/dbraw/zinc/86/64/87/321866487.db2.gz LKFUJEPGRWISJX-UHFFFAOYSA-N 1 0 261.369 3.249 20 70 CGIDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160476472 519813260 /nfs/dbraw/zinc/81/32/60/519813260.db2.gz FEPHKTFGBJHRMT-HNNXBMFYSA-N 1 0 275.440 3.452 20 70 CGIDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CC2 ZINC000160584300 534450352 /nfs/dbraw/zinc/45/03/52/534450352.db2.gz FGVIPIKAZAHIBE-OIISXLGYSA-N 1 0 259.393 3.123 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161080063 525612174 /nfs/dbraw/zinc/61/21/74/525612174.db2.gz JITPDQUFQWLWEL-UVBJJODRSA-N 1 0 282.378 3.488 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000161269693 527650799 /nfs/dbraw/zinc/65/07/99/527650799.db2.gz QRWVKLUXSQTXCL-JKSUJKDBSA-N 1 0 280.456 3.179 20 70 CGIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000160300818 527763152 /nfs/dbraw/zinc/76/31/52/527763152.db2.gz GJICRBYSRQSLFN-KGLIPLIRSA-N 1 0 272.396 3.034 20 70 CGIDRO CC[C@H](C)[NH2+]Cc1c(F)cccc1Br ZINC000160260792 529180543 /nfs/dbraw/zinc/18/05/43/529180543.db2.gz WLVXJRABLYCDNW-QMMMGPOBSA-N 1 0 260.150 3.476 20 70 CGIDRO FC(F)CN1CCC([NH2+]C[C@H]2CCc3ccccc32)CC1 ZINC000160976510 346173388 /nfs/dbraw/zinc/17/33/88/346173388.db2.gz LNSKRKVZPXKNIM-CQSZACIVSA-N 1 0 294.389 3.036 20 70 CGIDRO Cc1csc(CC[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000218103751 346292692 /nfs/dbraw/zinc/29/26/92/346292692.db2.gz UWCIKTIRLDJUTH-UHFFFAOYSA-N 1 0 271.389 3.265 20 70 CGIDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000160466225 188474215 /nfs/dbraw/zinc/47/42/15/188474215.db2.gz KDLMHDFPPFWNNS-LSDHHAIUSA-N 1 0 292.448 3.409 20 70 CGIDRO CCOCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000159400747 372139170 /nfs/dbraw/zinc/13/91/70/372139170.db2.gz JUNWNFARJKXVHR-UHFFFAOYSA-N 1 0 251.345 3.217 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000159404390 372139759 /nfs/dbraw/zinc/13/97/59/372139759.db2.gz ICDDDQNFMNVTDQ-XQQFMLRXSA-N 1 0 265.426 3.192 20 70 CGIDRO CCOC(CC[NH2+]Cc1cccc2cccnc21)OCC ZINC000159414059 372141069 /nfs/dbraw/zinc/14/10/69/372141069.db2.gz SJPVSURCPBZFPU-UHFFFAOYSA-N 1 0 288.391 3.114 20 70 CGIDRO CCOc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159475746 372147384 /nfs/dbraw/zinc/14/73/84/372147384.db2.gz SOWKZUNPBFZLQG-IKGGRYGDSA-N 1 0 287.403 3.133 20 70 CGIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159505941 372150441 /nfs/dbraw/zinc/15/04/41/372150441.db2.gz RZCUJCREVFGCRX-HIFRSBDPSA-N 1 0 298.386 3.032 20 70 CGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534896 372152731 /nfs/dbraw/zinc/15/27/31/372152731.db2.gz WHCVEOSQIURADE-BDAKNGLRSA-N 1 0 262.180 3.367 20 70 CGIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCSC1 ZINC000159542992 372153266 /nfs/dbraw/zinc/15/32/66/372153266.db2.gz MWWLRGRWPAGHQV-CVEARBPZSA-N 1 0 297.439 3.259 20 70 CGIDRO Cc1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159561395 372155232 /nfs/dbraw/zinc/15/52/32/372155232.db2.gz XAIJZGSBURXJEG-JYJNAYRXSA-N 1 0 257.377 3.042 20 70 CGIDRO CCC(CC)(CNCc1ncc(C(C)(C)C)o1)C(=O)OC ZINC000159671421 372165662 /nfs/dbraw/zinc/16/56/62/372165662.db2.gz QFLWJLDXGAREGY-UHFFFAOYSA-N 1 0 296.411 3.041 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000159668871 372166071 /nfs/dbraw/zinc/16/60/71/372166071.db2.gz JNZRPXWCOAVQNW-HOTGVXAUSA-N 1 0 277.408 3.089 20 70 CGIDRO C[N@H+](CCSc1ccc(F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159746932 372175593 /nfs/dbraw/zinc/17/55/93/372175593.db2.gz BQMCOUGTMOBRSY-WFASDCNBSA-N 1 0 283.412 3.011 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccccc1OC ZINC000160086387 372210986 /nfs/dbraw/zinc/21/09/86/372210986.db2.gz ZJWNAUMLVQAIBJ-KGLIPLIRSA-N 1 0 264.413 3.076 20 70 CGIDRO CC[N@@H+]1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160128460 372215832 /nfs/dbraw/zinc/21/58/32/372215832.db2.gz NMWMMGNZFATYSM-OAHLLOKOSA-N 1 0 280.456 3.051 20 70 CGIDRO CC[C@]1(C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000160132971 372216820 /nfs/dbraw/zinc/21/68/20/372216820.db2.gz DCHQENAWTSJNPV-SJLPKXTDSA-N 1 0 288.435 3.013 20 70 CGIDRO CCCCOCCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000160210182 372225443 /nfs/dbraw/zinc/22/54/43/372225443.db2.gz MTUIQGRSBHEJPS-AWEZNQCLSA-N 1 0 265.397 3.120 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000160282634 372233497 /nfs/dbraw/zinc/23/34/97/372233497.db2.gz ZFVYNGHDKQWETE-ZWNOBZJWSA-N 1 0 273.829 3.105 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@H](C)c2cnccn2)cc1 ZINC000160333224 372239742 /nfs/dbraw/zinc/23/97/42/372239742.db2.gz RCMRNSCAUSOIDE-CQSZACIVSA-N 1 0 285.391 3.330 20 70 CGIDRO C[C@H]([NH2+]CCC(C)(C)O)c1ncc(-c2ccccc2)o1 ZINC000159885753 372191157 /nfs/dbraw/zinc/19/11/57/372191157.db2.gz GRYIIYILWRYEQG-LBPRGKRZSA-N 1 0 274.364 3.153 20 70 CGIDRO CCOC(CC[NH2+][C@@H](C)c1ccc(C)cc1)OCC ZINC000159924307 372194239 /nfs/dbraw/zinc/19/42/39/372194239.db2.gz ILQDGERVUFKTMS-AWEZNQCLSA-N 1 0 265.397 3.435 20 70 CGIDRO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000161010944 372294099 /nfs/dbraw/zinc/29/40/99/372294099.db2.gz BLGAABTZVDIKCN-VNHYZAJKSA-N 1 0 274.408 3.311 20 70 CGIDRO COCC[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161037871 372296867 /nfs/dbraw/zinc/29/68/67/372296867.db2.gz BMYMPXSYWXMLRJ-GUYCJALGSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cncc(F)c1 ZINC000160412834 372244408 /nfs/dbraw/zinc/24/44/08/372244408.db2.gz IHODBVOJARANFT-CXAGYDPISA-N 1 0 293.430 3.382 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000160394989 372244624 /nfs/dbraw/zinc/24/46/24/372244624.db2.gz LJVICMQUHOVGNP-IAGOWNOFSA-N 1 0 295.492 3.266 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000160536824 372255783 /nfs/dbraw/zinc/25/57/83/372255783.db2.gz UYLXLRPFAPMPKQ-HNNXBMFYSA-N 1 0 285.391 3.124 20 70 CGIDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160565758 372257623 /nfs/dbraw/zinc/25/76/23/372257623.db2.gz YRAGODPFIURBNA-NOLJZWGESA-N 1 0 293.455 3.148 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H](C)CC)c1 ZINC000160566321 372258323 /nfs/dbraw/zinc/25/83/23/372258323.db2.gz QRCVWGDZMUVWEN-KGLIPLIRSA-N 1 0 276.424 3.351 20 70 CGIDRO CC1(C)Cc2cc(C[NH2+][C@@H]3CCOC(C)(C)C3)ccc2O1 ZINC000160632977 372265020 /nfs/dbraw/zinc/26/50/20/372265020.db2.gz FDXWRKKZULRYNZ-OAHLLOKOSA-N 1 0 289.419 3.447 20 70 CGIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654558 372266076 /nfs/dbraw/zinc/26/60/76/372266076.db2.gz JMPJPUMRWDLBRD-HIFRSBDPSA-N 1 0 280.456 3.001 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000160838310 372281546 /nfs/dbraw/zinc/28/15/46/372281546.db2.gz WKCSIBLVRXHVTJ-KRWDZBQOSA-N 1 0 277.408 3.380 20 70 CGIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000161129071 372304046 /nfs/dbraw/zinc/30/40/46/372304046.db2.gz GCUGNPFMTGKLKV-LLVKDONJSA-N 1 0 277.339 3.335 20 70 CGIDRO CN(Cc1cnc2cnccn12)Cc1cccc(Cl)c1 ZINC000161128575 372304148 /nfs/dbraw/zinc/30/41/48/372304148.db2.gz OCKBPBMJKKSXBD-UHFFFAOYSA-N 1 0 286.766 3.015 20 70 CGIDRO CC[C@](C)(O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161176246 372307489 /nfs/dbraw/zinc/30/74/89/372307489.db2.gz UTBYTFMAHIIESJ-BJJXKVORSA-N 1 0 265.372 3.165 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161213794 372309248 /nfs/dbraw/zinc/30/92/48/372309248.db2.gz QFQHMWQZLMNYBF-UHFFFAOYSA-N 1 0 279.277 3.049 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000161223216 372311226 /nfs/dbraw/zinc/31/12/26/372311226.db2.gz SMQPDHJQFQVRCY-HOTGVXAUSA-N 1 0 288.435 3.204 20 70 CGIDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000161432518 372323810 /nfs/dbraw/zinc/32/38/10/372323810.db2.gz WDCVBNSQEITQHU-APWZRJJASA-N 1 0 281.399 3.348 20 70 CGIDRO CCOc1ccc(Cl)cc1[C@@H](C)NC1CC[NH+](C)CC1 ZINC000161455415 372325762 /nfs/dbraw/zinc/32/57/62/372325762.db2.gz ZJCBGBWPQOGQBU-GFCCVEGCSA-N 1 0 296.842 3.484 20 70 CGIDRO C/C(=C/c1ccccc1)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000216986789 376170600 /nfs/dbraw/zinc/17/06/00/376170600.db2.gz NQAXULMPMZHTCQ-MUBYSKIDSA-N 1 0 272.436 3.411 20 70 CGIDRO c1ccc(C2CC([NH2+][C@@H]3CCN4CCCC[C@@H]34)C2)cc1 ZINC000217690448 376179505 /nfs/dbraw/zinc/17/95/05/376179505.db2.gz SXXYVJRSMPFUPQ-HIEASXQVSA-N 1 0 270.420 3.149 20 70 CGIDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000217822469 376180060 /nfs/dbraw/zinc/18/00/60/376180060.db2.gz MLYHGVAPQYBZBT-COXVUDFISA-N 1 0 288.435 3.336 20 70 CGIDRO CC(C)CCOCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218162040 376184694 /nfs/dbraw/zinc/18/46/94/376184694.db2.gz QEIBRJGOQHBAEF-UHFFFAOYSA-N 1 0 260.381 3.320 20 70 CGIDRO CC[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218118096 376184927 /nfs/dbraw/zinc/18/49/27/376184927.db2.gz AGSATQVYNNLVHQ-ULQDDVLXSA-N 1 0 288.435 3.363 20 70 CGIDRO C[N@H+](CCCNc1cccc(F)n1)C1CCCCC1 ZINC000218119569 376185208 /nfs/dbraw/zinc/18/52/08/376185208.db2.gz BXDZEQCXEFMZHH-UHFFFAOYSA-N 1 0 265.376 3.287 20 70 CGIDRO CCCn1nccc1C[NH2+]Cc1ccccc1CC ZINC000160156527 542152825 /nfs/dbraw/zinc/15/28/25/542152825.db2.gz DYCKCHLTXJWAGR-UHFFFAOYSA-N 1 0 257.381 3.145 20 70 CGIDRO OC[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000161504500 542158422 /nfs/dbraw/zinc/15/84/22/542158422.db2.gz PDWLBHKUADOCMQ-CRAIPNDOSA-N 1 0 285.362 3.179 20 70 CGIDRO COC[C@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000161495876 542159017 /nfs/dbraw/zinc/15/90/17/542159017.db2.gz QGWYEWNYWDCUSU-HNNXBMFYSA-N 1 0 288.416 3.325 20 70 CGIDRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160365327 392581760 /nfs/dbraw/zinc/58/17/60/392581760.db2.gz YFODZGJWBNVBLG-CABCVRRESA-N 1 0 278.444 3.239 20 70 CGIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cccc(OC(F)F)c1 ZINC000160094074 165477698 /nfs/dbraw/zinc/47/76/98/165477698.db2.gz JOAOKQKVNMCXRT-LBPRGKRZSA-N 1 0 299.361 3.491 20 70 CGIDRO COc1ccc(Cl)c(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000218052322 270085420 /nfs/dbraw/zinc/08/54/20/270085420.db2.gz DIUICAGOWFFMNE-COPLHBTASA-N 1 0 282.815 3.489 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000218781570 270085524 /nfs/dbraw/zinc/08/55/24/270085524.db2.gz XLJLTAHJHJBFRE-NUEKZKHPSA-N 1 0 279.424 3.067 20 70 CGIDRO C[N@@H+](Cc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000218686688 270085597 /nfs/dbraw/zinc/08/55/97/270085597.db2.gz RBEPMXOAZMYTBJ-INIZCTEOSA-N 1 0 289.806 3.375 20 70 CGIDRO C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000160981764 289763220 /nfs/dbraw/zinc/76/32/20/289763220.db2.gz PPAXEHUQKMYAGL-SMDDNHRTSA-N 1 0 280.799 3.131 20 70 CGIDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccc(Cl)c1 ZINC000217814002 572869721 /nfs/dbraw/zinc/86/97/21/572869721.db2.gz DEYSMTSIXHJDPG-OKILXGFUSA-N 1 0 263.768 3.078 20 70 CGIDRO c1ccc(N2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000159596934 321837140 /nfs/dbraw/zinc/83/71/40/321837140.db2.gz AEIMBDVCJFJEPB-HNNXBMFYSA-N 1 0 276.449 3.141 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160156752 321847223 /nfs/dbraw/zinc/84/72/23/321847223.db2.gz OSGKUNZRCXNAGJ-WMLDXEAASA-N 1 0 286.419 3.271 20 70 CGIDRO CC(C)n1ccnc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000160875793 520029476 /nfs/dbraw/zinc/02/94/76/520029476.db2.gz VJJKBFZGSBCJSY-MRXNPFEDSA-N 1 0 269.392 3.454 20 70 CGIDRO c1cc(-c2nc(C[NH+](CC3CC3)CC3CC3)no2)cs1 ZINC000160886999 534467433 /nfs/dbraw/zinc/46/74/33/534467433.db2.gz SSDAENBYTVDJRC-UHFFFAOYSA-N 1 0 289.404 3.420 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000161117433 522219625 /nfs/dbraw/zinc/21/96/25/522219625.db2.gz LFIYNVCVWHBCRE-ZIAGYGMSSA-N 1 0 288.435 3.493 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000161424618 523060362 /nfs/dbraw/zinc/06/03/62/523060362.db2.gz QRJUJLRELVUDKV-GMBSWORKSA-N 1 0 279.449 3.353 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]CCCCc2nc(C)cs2)cn1 ZINC000160684246 523468720 /nfs/dbraw/zinc/46/87/20/523468720.db2.gz MSVXCXNXAJTICH-ZDUSSCGKSA-N 1 0 292.452 3.341 20 70 CGIDRO c1oc2ccccc2c1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000161076195 526629551 /nfs/dbraw/zinc/62/95/51/526629551.db2.gz NVGGOEVAHMHQGO-JKSUJKDBSA-N 1 0 270.376 3.149 20 70 CGIDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160936318 527608377 /nfs/dbraw/zinc/60/83/77/527608377.db2.gz HYDAFSAYCZNFFA-INIZCTEOSA-N 1 0 293.769 3.172 20 70 CGIDRO CCOCCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000159815345 528657429 /nfs/dbraw/zinc/65/74/29/528657429.db2.gz CRUSHACFHQGACS-UHFFFAOYSA-N 1 0 283.437 3.276 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111533 529344001 /nfs/dbraw/zinc/34/40/01/529344001.db2.gz QYCIOMHYPJIESW-UONOGXRCSA-N 1 0 266.404 3.077 20 70 CGIDRO Cc1c(C[NH2+][C@H](C)c2ccc(OC(F)F)cc2)cnn1C ZINC000159713408 232241633 /nfs/dbraw/zinc/24/16/33/232241633.db2.gz YBOFAMQINZVVAS-SNVBAGLBSA-N 1 0 295.333 3.181 20 70 CGIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159964603 188449537 /nfs/dbraw/zinc/44/95/37/188449537.db2.gz KVCBYWHSTXVBCQ-DQYPLSBCSA-N 1 0 287.428 3.479 20 70 CGIDRO CC(C)[NH+](CCSCC(=O)c1cccn1C)C(C)C ZINC000161018104 188503393 /nfs/dbraw/zinc/50/33/93/188503393.db2.gz ZJOKBXRXNYPLND-UHFFFAOYSA-N 1 0 282.453 3.060 20 70 CGIDRO CCC[C@H]([NH2+]C1CCN(C)CC1)c1ccc(OC)cc1 ZINC000161430116 188527319 /nfs/dbraw/zinc/52/73/19/188527319.db2.gz IUQHICJMCXCQRS-KRWDZBQOSA-N 1 0 276.424 3.220 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217637860 296155918 /nfs/dbraw/zinc/15/59/18/296155918.db2.gz UJUWNYJPDNEJPZ-UMVBOHGHSA-N 1 0 295.448 3.319 20 70 CGIDRO CCOCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000159368347 372136035 /nfs/dbraw/zinc/13/60/35/372136035.db2.gz XTFRQKHOBWQJET-UHFFFAOYSA-N 1 0 269.335 3.356 20 70 CGIDRO Cc1ncccc1C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000159379538 372138015 /nfs/dbraw/zinc/13/80/15/372138015.db2.gz BAYOESYSVQZCBD-UHFFFAOYSA-N 1 0 297.446 3.390 20 70 CGIDRO Cc1ccccc1CCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159552666 372156350 /nfs/dbraw/zinc/15/63/50/372156350.db2.gz CWHDWJHRDVDHIW-IRXDYDNUSA-N 1 0 261.409 3.020 20 70 CGIDRO CCc1ccc([C@H](CNC(=O)C2=CCCC2)[NH+](C)C)cc1 ZINC000159653304 372164232 /nfs/dbraw/zinc/16/42/32/372164232.db2.gz VTWZDDYMENGFJM-KRWDZBQOSA-N 1 0 286.419 3.078 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000159685832 372168299 /nfs/dbraw/zinc/16/82/99/372168299.db2.gz QNRQSIJFVYAWBC-CVEARBPZSA-N 1 0 298.434 3.048 20 70 CGIDRO C[N@@H+](Cc1csc2ccccc12)C[C@H]1CCC[C@@H]1O ZINC000159684318 372168748 /nfs/dbraw/zinc/16/87/48/372168748.db2.gz SUNZOTGMRFEHAN-DOMZBBRYSA-N 1 0 275.417 3.494 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1F ZINC000160120329 372213811 /nfs/dbraw/zinc/21/38/11/372213811.db2.gz FYALEOVYTAAYOR-GFCCVEGCSA-N 1 0 281.371 3.038 20 70 CGIDRO Cc1ccc(C(=O)CC[N@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000160170035 372220659 /nfs/dbraw/zinc/22/06/59/372220659.db2.gz QCDOONUIRQFECK-KRWDZBQOSA-N 1 0 289.419 3.315 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000160282507 372234045 /nfs/dbraw/zinc/23/40/45/372234045.db2.gz ZFVYNGHDKQWETE-GXFFZTMASA-N 1 0 273.829 3.105 20 70 CGIDRO C[C@H](CNC(=O)C(C)(C)C1CCCC1)C[NH+]1CCCC1 ZINC000160317699 372237477 /nfs/dbraw/zinc/23/74/77/372237477.db2.gz ULXIWACNVGKGMP-CQSZACIVSA-N 1 0 280.456 3.051 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)C2CC2)cc1OC ZINC000159978781 372200429 /nfs/dbraw/zinc/20/04/29/372200429.db2.gz CFSKSFKGYVVIQV-WFASDCNBSA-N 1 0 293.407 3.170 20 70 CGIDRO C[NH+](C)Cc1ccnc(NC(=O)C2CCC(C)(C)CC2)c1 ZINC000160976298 372292746 /nfs/dbraw/zinc/29/27/46/372292746.db2.gz ULESMMUOGSRIBT-UHFFFAOYSA-N 1 0 289.423 3.298 20 70 CGIDRO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160995562 372294148 /nfs/dbraw/zinc/29/41/48/372294148.db2.gz OXWVIEIBTHBLQS-BXUZGUMPSA-N 1 0 288.416 3.035 20 70 CGIDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc2ccccn12 ZINC000160478002 372252516 /nfs/dbraw/zinc/25/25/16/372252516.db2.gz MGYAVPUBIZKCCE-YCPHGPKFSA-N 1 0 269.392 3.487 20 70 CGIDRO CC[NH+](CC)CC(=O)N1CCC[C@@H]1c1cc(C)ccc1C ZINC000160686939 372268232 /nfs/dbraw/zinc/26/82/32/372268232.db2.gz YGGPRYOYHGIRGG-QGZVFWFLSA-N 1 0 288.435 3.309 20 70 CGIDRO OCCC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000160726672 372271248 /nfs/dbraw/zinc/27/12/48/372271248.db2.gz GFGORNVMGZJFEC-INIZCTEOSA-N 1 0 259.393 3.278 20 70 CGIDRO Cc1ccc(SCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160793832 372275172 /nfs/dbraw/zinc/27/51/72/372275172.db2.gz LOBPMGLTZJHDQF-GOEBONIOSA-N 1 0 278.465 3.017 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1ccoc1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000160826937 372279940 /nfs/dbraw/zinc/27/99/40/372279940.db2.gz YFGDYERMCBJCFY-IHRRRGAJSA-N 1 0 298.386 3.297 20 70 CGIDRO COCCOc1cccc(C[N@H+](C)Cc2ccc(C)o2)c1 ZINC000160847730 372281279 /nfs/dbraw/zinc/28/12/79/372281279.db2.gz UDWXMKFNUXIHAT-UHFFFAOYSA-N 1 0 289.375 3.245 20 70 CGIDRO c1cc2c(cc1[C@H]([NH2+][C@@H]1CCSC1)C1CC1)OCCO2 ZINC000161123006 372302221 /nfs/dbraw/zinc/30/22/21/372302221.db2.gz JCVOGCJFXKLUSS-CZUORRHYSA-N 1 0 291.416 3.004 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1cncs1 ZINC000160862220 372283929 /nfs/dbraw/zinc/28/39/29/372283929.db2.gz DRPAJBUKHALZNH-UONOGXRCSA-N 1 0 289.448 3.314 20 70 CGIDRO CCC[N@H+](CCO)Cc1cccc(OC2CCCC2)c1 ZINC000161202032 372309490 /nfs/dbraw/zinc/30/94/90/372309490.db2.gz GZYMBYQVXBDQNQ-UHFFFAOYSA-N 1 0 277.408 3.212 20 70 CGIDRO CCCCN(C(=O)C1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000161355035 372318017 /nfs/dbraw/zinc/31/80/17/372318017.db2.gz BKSMJMLDVFIYIK-HNNXBMFYSA-N 1 0 288.435 3.376 20 70 CGIDRO Cc1ccc(C[NH2+][C@H]2CCSC2)cc1Br ZINC000218118376 376184516 /nfs/dbraw/zinc/18/45/16/376184516.db2.gz QTKVWQMDZLFENA-NSHDSACASA-N 1 0 286.238 3.353 20 70 CGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2ccccc21 ZINC000159586501 542150837 /nfs/dbraw/zinc/15/08/37/542150837.db2.gz XWGWHAQYFWDLPW-RDJZCZTQSA-N 1 0 298.430 3.230 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000160022907 542152922 /nfs/dbraw/zinc/15/29/22/542152922.db2.gz MDIYJDZJZWUKHR-CQSZACIVSA-N 1 0 287.407 3.461 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2csc(-c3ccco3)n2)CCO1 ZINC000160434686 542153824 /nfs/dbraw/zinc/15/38/24/542153824.db2.gz NPEJGFBNWODNJS-LLVKDONJSA-N 1 0 292.404 3.450 20 70 CGIDRO CC(C)[C@@H](C)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159801203 392580608 /nfs/dbraw/zinc/58/06/08/392580608.db2.gz AIEPUUANOAXRBC-LSDHHAIUSA-N 1 0 260.425 3.067 20 70 CGIDRO C[C@@H]1C[C@@H]1c1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)o1 ZINC000217654155 392995043 /nfs/dbraw/zinc/99/50/43/392995043.db2.gz GQUWELFIMUSVGY-BVUBDWEXSA-N 1 0 274.408 3.119 20 70 CGIDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160497534 292338052 /nfs/dbraw/zinc/33/80/52/292338052.db2.gz CAWGTGOGJAHGMX-OIISXLGYSA-N 1 0 289.419 3.349 20 70 CGIDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160936415 416517702 /nfs/dbraw/zinc/51/77/02/416517702.db2.gz HYDAFSAYCZNFFA-MRXNPFEDSA-N 1 0 293.769 3.172 20 70 CGIDRO Cc1ccc(C[NH+]2CCCC2)c(Br)c1 ZINC000159916344 270052637 /nfs/dbraw/zinc/05/26/37/270052637.db2.gz CUUJQVSIJNZWTE-UHFFFAOYSA-N 1 0 254.171 3.353 20 70 CGIDRO CC[C@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160772472 288085193 /nfs/dbraw/zinc/08/51/93/288085193.db2.gz ZPBDHNKZSDDLTN-DLBZAZTESA-N 1 0 286.419 3.128 20 70 CGIDRO CC[C@@H](c1ccncc1)N(C)CCC[NH+]1CCCCC1 ZINC000161461041 280220606 /nfs/dbraw/zinc/22/06/06/280220606.db2.gz FHADZRMHAIFIRH-KRWDZBQOSA-N 1 0 275.440 3.341 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000217658645 290018787 /nfs/dbraw/zinc/01/87/87/290018787.db2.gz MNDHLVASQINRJO-XZJROXQQSA-N 1 0 280.362 3.242 20 70 CGIDRO CCCN(CC[NH+](C)C)C(=O)[C@H](CC)c1ccc(F)cc1 ZINC000160335742 321850363 /nfs/dbraw/zinc/85/03/63/321850363.db2.gz CREUOXUYSGCJNT-MRXNPFEDSA-N 1 0 294.414 3.120 20 70 CGIDRO C[C@H](NC(=O)C1CCC(C)(C)CC1)C(C)(C)C[NH+](C)C ZINC000161114319 321862723 /nfs/dbraw/zinc/86/27/23/321862723.db2.gz APDDQHVGRQIYSH-ZDUSSCGKSA-N 1 0 282.472 3.295 20 70 CGIDRO CCC1CCC(C[NH2+]C2CCC(NC(C)=O)CC2)CC1 ZINC000161459690 519851733 /nfs/dbraw/zinc/85/17/33/519851733.db2.gz PSRJYLBMWYPWRR-UHFFFAOYSA-N 1 0 280.456 3.240 20 70 CGIDRO Fc1cc(Cl)ccc1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000160715116 526302617 /nfs/dbraw/zinc/30/26/17/526302617.db2.gz WSHYMKYYPAIJKK-HUUCEWRRSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1csc(CCCC[NH2+][C@H](C)C2CCOCC2)n1 ZINC000160723210 526339758 /nfs/dbraw/zinc/33/97/58/526339758.db2.gz HQHZLRZHOOWRRM-CYBMUJFWSA-N 1 0 282.453 3.179 20 70 CGIDRO CC1CC[NH+](CCCNCc2cc(F)cc(F)c2)CC1 ZINC000159633044 528240935 /nfs/dbraw/zinc/24/09/35/528240935.db2.gz LQWXVUDLLVIJDJ-UHFFFAOYSA-N 1 0 282.378 3.176 20 70 CGIDRO CCSCC[N@H+](CCc1nccs1)C(C)C ZINC000159855934 529179610 /nfs/dbraw/zinc/17/96/10/529179610.db2.gz IWJNPDAGKOGTCK-UHFFFAOYSA-N 1 0 258.456 3.149 20 70 CGIDRO CCc1cnc(CN(C)CCC[NH+]2CCCCC2)s1 ZINC000161385465 529644482 /nfs/dbraw/zinc/64/44/82/529644482.db2.gz BKJDAWCZIGUXSI-UHFFFAOYSA-N 1 0 281.469 3.013 20 70 CGIDRO Cc1ccc(C2CC([NH2+]CC3(CO)CCCC3)C2)cc1 ZINC000160106286 232242496 /nfs/dbraw/zinc/24/24/96/232242496.db2.gz GVSBSSHPLCJOBR-UHFFFAOYSA-N 1 0 273.420 3.383 20 70 CGIDRO Oc1cccc(C[N@H+](CCOCC2CC2)CC2CC2)c1 ZINC000159912508 232243422 /nfs/dbraw/zinc/24/34/22/232243422.db2.gz RONLBRHXXCKHIE-UHFFFAOYSA-N 1 0 275.392 3.031 20 70 CGIDRO CCSCc1cccc(NC(=O)c2ccc(C[NH3+])o2)c1 ZINC000160423907 346170763 /nfs/dbraw/zinc/17/07/63/346170763.db2.gz VWPIJSXJNJKIDO-UHFFFAOYSA-N 1 0 290.388 3.244 20 70 CGIDRO CC[C@@H]([NH2+]CCCCC(=O)OC)c1ccc(F)cc1F ZINC000160832549 346172693 /nfs/dbraw/zinc/17/26/93/346172693.db2.gz MZMACCDUPWDGFU-CQSZACIVSA-N 1 0 285.334 3.349 20 70 CGIDRO CC[C@H](C)C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000217140100 571850380 /nfs/dbraw/zinc/85/03/80/571850380.db2.gz LVPUREOYZCHPOE-SOUVJXGZSA-N 1 0 268.445 3.001 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000160329387 188466242 /nfs/dbraw/zinc/46/62/42/188466242.db2.gz XFUDZILLZUGMGG-ZBFHGGJFSA-N 1 0 277.408 3.203 20 70 CGIDRO CC[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160652432 188484915 /nfs/dbraw/zinc/48/49/15/188484915.db2.gz XRUSSEDDCHQNIE-BXUZGUMPSA-N 1 0 255.308 3.185 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000159432606 372142637 /nfs/dbraw/zinc/14/26/37/372142637.db2.gz DJGCZHSQJJKVPK-SUMWQHHRSA-N 1 0 293.407 3.253 20 70 CGIDRO CC[C@@H](C(=O)Nc1ccc(OC(C)(C)C)cc1)[NH+](C)C ZINC000159444266 372144149 /nfs/dbraw/zinc/14/41/49/372144149.db2.gz MEEROHNAKSBOIB-AWEZNQCLSA-N 1 0 278.396 3.143 20 70 CGIDRO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456423 372145520 /nfs/dbraw/zinc/14/55/20/372145520.db2.gz DHFSJQIXIRMVNH-BBRMVZONSA-N 1 0 261.409 3.187 20 70 CGIDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159534964 372152598 /nfs/dbraw/zinc/15/25/98/372152598.db2.gz FTBGFDKLEPDRFT-UONOGXRCSA-N 1 0 292.448 3.197 20 70 CGIDRO Cc1ccc(NC(=O)CCCn2cccc2)c(C[NH+](C)C)c1 ZINC000159541290 372154560 /nfs/dbraw/zinc/15/45/60/372154560.db2.gz CIWHYTNJWUKCGH-UHFFFAOYSA-N 1 0 299.418 3.277 20 70 CGIDRO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(F)c1 ZINC000159627339 372162371 /nfs/dbraw/zinc/16/23/71/372162371.db2.gz WXNHQOLYQLRYFR-NSHDSACASA-N 1 0 279.403 3.181 20 70 CGIDRO C[N@@H+](Cc1csc2ccccc12)C[C@@H]1CCC[C@@H]1O ZINC000159684184 372168348 /nfs/dbraw/zinc/16/83/48/372168348.db2.gz SUNZOTGMRFEHAN-WFASDCNBSA-N 1 0 275.417 3.494 20 70 CGIDRO COCCC[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC000159688952 372170353 /nfs/dbraw/zinc/17/03/53/372170353.db2.gz OAVBIMDCFOENRZ-UHFFFAOYSA-N 1 0 262.180 3.462 20 70 CGIDRO C[C@H]([NH2+]CCO)c1ccc(Oc2ccccc2)cc1 ZINC000159704804 372171920 /nfs/dbraw/zinc/17/19/20/372171920.db2.gz HNTVWMBREBQIPY-ZDUSSCGKSA-N 1 0 257.333 3.122 20 70 CGIDRO CC1(C)CC([NH2+]Cc2cccc(C(N)=O)c2)CC(C)(C)C1 ZINC000159722732 372174409 /nfs/dbraw/zinc/17/44/09/372174409.db2.gz QQBUDESHHQUXRX-UHFFFAOYSA-N 1 0 288.435 3.480 20 70 CGIDRO Cc1ccc(C[N@@H+](CCn2ccnc2)C(C)C)s1 ZINC000159775855 372177872 /nfs/dbraw/zinc/17/78/72/372177872.db2.gz DBDLZHZUXPKUGG-UHFFFAOYSA-N 1 0 263.410 3.164 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cn1 ZINC000160087882 372211073 /nfs/dbraw/zinc/21/10/73/372211073.db2.gz CJJLGYHVRAXNGS-GFCCVEGCSA-N 1 0 289.354 3.254 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160101005 372211974 /nfs/dbraw/zinc/21/19/74/372211974.db2.gz OKRMOKXCFNFMPZ-WBVHZDCISA-N 1 0 288.435 3.447 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cn1 ZINC000160101792 372212346 /nfs/dbraw/zinc/21/23/46/372212346.db2.gz FVQFGOILZUWLOT-MRXNPFEDSA-N 1 0 262.397 3.393 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160114459 372214124 /nfs/dbraw/zinc/21/41/24/372214124.db2.gz AMIFLALTFUEZQU-GHMZBOCLSA-N 1 0 272.392 3.365 20 70 CGIDRO CCNC(=O)c1cccc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c1 ZINC000160187324 372222131 /nfs/dbraw/zinc/22/21/31/372222131.db2.gz VMESGOGNBOTQNQ-KBPBESRZSA-N 1 0 288.435 3.351 20 70 CGIDRO CCCCOCCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000160210313 372225476 /nfs/dbraw/zinc/22/54/76/372225476.db2.gz MTUIQGRSBHEJPS-CQSZACIVSA-N 1 0 265.397 3.120 20 70 CGIDRO Cc1cnc(C)c(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234076 372227426 /nfs/dbraw/zinc/22/74/26/372227426.db2.gz QSRHQNNJDWTUEK-SUMWQHHRSA-N 1 0 296.418 3.026 20 70 CGIDRO Cc1ncc([C@@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)n1 ZINC000160264826 372232444 /nfs/dbraw/zinc/23/24/44/372232444.db2.gz ANSBVCSTRQCFPI-UONOGXRCSA-N 1 0 290.455 3.009 20 70 CGIDRO CC[NH+]1CCC(NC(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000160336378 372238854 /nfs/dbraw/zinc/23/88/54/372238854.db2.gz VMYZJIIGNJJPSB-AWEZNQCLSA-N 1 0 280.456 3.193 20 70 CGIDRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[C@H]1C ZINC000160328132 372238884 /nfs/dbraw/zinc/23/88/84/372238884.db2.gz LRRYULDKBROLSB-HZPDHXFCSA-N 1 0 280.456 3.288 20 70 CGIDRO Cc1ccc(C[N@@H+](CCc2nccs2)C(C)C)nc1 ZINC000159819628 372183326 /nfs/dbraw/zinc/18/33/26/372183326.db2.gz LTMCBHZOHLUWJL-UHFFFAOYSA-N 1 0 275.421 3.300 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000159853017 372187423 /nfs/dbraw/zinc/18/74/23/372187423.db2.gz GHRKKCKRTDSZHZ-UHFFFAOYSA-N 1 0 281.359 3.204 20 70 CGIDRO COC[C@@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000159874836 372191405 /nfs/dbraw/zinc/19/14/05/372191405.db2.gz COVYIUIAHDMJPH-GOSISDBHSA-N 1 0 299.418 3.004 20 70 CGIDRO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159908167 372192533 /nfs/dbraw/zinc/19/25/33/372192533.db2.gz CGHIXZSOPQFFCR-PBHICJAKSA-N 1 0 288.435 3.399 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000159933867 372196222 /nfs/dbraw/zinc/19/62/22/372196222.db2.gz JKPFUKNUCVAVFO-GDBMZVCRSA-N 1 0 299.418 3.481 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000159973165 372199284 /nfs/dbraw/zinc/19/92/84/372199284.db2.gz ZHIHUYJYMNVLOC-QGZVFWFLSA-N 1 0 288.435 3.206 20 70 CGIDRO C[C@H](CCc1ccco1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159976670 372199576 /nfs/dbraw/zinc/19/95/76/372199576.db2.gz RNXVBQCPRHBCIN-DOMZBBRYSA-N 1 0 279.405 3.160 20 70 CGIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160987680 372291936 /nfs/dbraw/zinc/29/19/36/372291936.db2.gz ADHGPSZDZTWJFU-GZMMTYOYSA-N 1 0 289.206 3.298 20 70 CGIDRO CC(C)[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160988740 372292514 /nfs/dbraw/zinc/29/25/14/372292514.db2.gz PDMJOGAOQKUYLA-PELKAZGASA-N 1 0 289.206 3.154 20 70 CGIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026757 372296591 /nfs/dbraw/zinc/29/65/91/372296591.db2.gz LOMOWIFEAYZLBE-JKSUJKDBSA-N 1 0 296.499 3.292 20 70 CGIDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(C)(C)CC1 ZINC000161058585 372298169 /nfs/dbraw/zinc/29/81/69/372298169.db2.gz DLRKLBUOUQFQGU-CVEARBPZSA-N 1 0 292.467 3.288 20 70 CGIDRO CC(C)c1nccc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160435468 372246421 /nfs/dbraw/zinc/24/64/21/372246421.db2.gz IJUPUHPRYCFCPM-OAHLLOKOSA-N 1 0 288.439 3.055 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160428206 372246620 /nfs/dbraw/zinc/24/66/20/372246620.db2.gz ATXFYZGWUQLBEJ-HOTGVXAUSA-N 1 0 290.451 3.043 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(SC)c1 ZINC000160501211 372252312 /nfs/dbraw/zinc/25/23/12/372252312.db2.gz NHUKPIXRPFMSNM-LLVKDONJSA-N 1 0 298.427 3.008 20 70 CGIDRO COc1cccc(CCCN2CCC([NH2+]C(C)C)CC2)c1 ZINC000160496821 372252549 /nfs/dbraw/zinc/25/25/49/372252549.db2.gz FGFYLRALFMHYSU-UHFFFAOYSA-N 1 0 290.451 3.090 20 70 CGIDRO CCn1nc(C)c(C[N@H+](C)Cc2ccccc2C)c1C ZINC000160521081 372253767 /nfs/dbraw/zinc/25/37/67/372253767.db2.gz IWJPNGZFNNQKCX-UHFFFAOYSA-N 1 0 271.408 3.460 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc2ccccc2c1 ZINC000160535864 372256081 /nfs/dbraw/zinc/25/60/81/372256081.db2.gz VZPQILVFEPNFHQ-UHFFFAOYSA-N 1 0 298.430 3.406 20 70 CGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(F)c1 ZINC000160560293 372257657 /nfs/dbraw/zinc/25/76/57/372257657.db2.gz WALPZAVMCKHTOE-BBRMVZONSA-N 1 0 290.382 3.419 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599764 372260830 /nfs/dbraw/zinc/26/08/30/372260830.db2.gz VCYLUQRVWHMGJP-RYUDHWBXSA-N 1 0 297.830 3.430 20 70 CGIDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOC(C)(C)C2)o1 ZINC000160646954 372265162 /nfs/dbraw/zinc/26/51/62/372265162.db2.gz VPCJSXQAFJSQDD-CYBMUJFWSA-N 1 0 289.379 3.025 20 70 CGIDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Cl)cc2)c[nH]1 ZINC000160810935 372277188 /nfs/dbraw/zinc/27/71/88/372277188.db2.gz UFOBJZHOPYHMBL-UHFFFAOYSA-N 1 0 292.766 3.087 20 70 CGIDRO C[N@@H+](Cc1ccccc1Cl)CC1=CCCOC1 ZINC000160822921 372279617 /nfs/dbraw/zinc/27/96/17/372279617.db2.gz CTWUXJJCJGOKOZ-UHFFFAOYSA-N 1 0 251.757 3.119 20 70 CGIDRO C[C@H](O)C(C)(C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000161132244 372304234 /nfs/dbraw/zinc/30/42/34/372304234.db2.gz PJZROXCVJMUZSV-JTQLQIEISA-N 1 0 294.395 3.198 20 70 CGIDRO CC(C)[NH2+]CCC(=O)NC(C)(C)c1cccc(Cl)c1 ZINC000161163030 372306320 /nfs/dbraw/zinc/30/63/20/372306320.db2.gz GSOYFMDEYHFVHC-UHFFFAOYSA-N 1 0 282.815 3.079 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161220975 372311650 /nfs/dbraw/zinc/31/16/50/372311650.db2.gz YGQXDIGHYJEKIR-UHFFFAOYSA-N 1 0 279.277 3.049 20 70 CGIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](C)C[NH2+]C ZINC000161247534 372312734 /nfs/dbraw/zinc/31/27/34/372312734.db2.gz FHXLJQVYNDMKQC-WBVHZDCISA-N 1 0 290.451 3.020 20 70 CGIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)cn1 ZINC000161311310 372315812 /nfs/dbraw/zinc/31/58/12/372315812.db2.gz JSPHGWYBHRTTRS-CYBMUJFWSA-N 1 0 287.382 3.446 20 70 CGIDRO CC[C@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161124650 372303692 /nfs/dbraw/zinc/30/36/92/372303692.db2.gz QMFLNIHMWWORPC-STQMWFEESA-N 1 0 282.378 3.317 20 70 CGIDRO COc1cc([C@H](C)[NH2+]CCc2csc(C)n2)ccc1F ZINC000218229378 376187744 /nfs/dbraw/zinc/18/77/44/376187744.db2.gz IZORTFBFBYBJLV-JTQLQIEISA-N 1 0 294.395 3.493 20 70 CGIDRO CCC[C@@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160557272 542154904 /nfs/dbraw/zinc/15/49/04/542154904.db2.gz KABFMZVMANRJHB-SECBINFHSA-N 1 0 257.175 3.122 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000161015771 542157170 /nfs/dbraw/zinc/15/71/70/542157170.db2.gz NSORJZIBHUDLPX-HZPDHXFCSA-N 1 0 292.467 3.073 20 70 CGIDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc2ccc(F)cc2s1 ZINC000161213509 542158002 /nfs/dbraw/zinc/15/80/02/542158002.db2.gz KAAUAMPMXMNSHF-UHFFFAOYSA-N 1 0 294.395 3.097 20 70 CGIDRO CCn1cc([C@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160389691 392582512 /nfs/dbraw/zinc/58/25/12/392582512.db2.gz CZBUOVKLKNHOGS-YOEHRIQHSA-N 1 0 292.471 3.064 20 70 CGIDRO CCn1cc([C@@H](C)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160389556 392582564 /nfs/dbraw/zinc/58/25/64/392582564.db2.gz CZBUOVKLKNHOGS-PBHICJAKSA-N 1 0 292.471 3.064 20 70 CGIDRO c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)cs1 ZINC000217957050 392996304 /nfs/dbraw/zinc/99/63/04/392996304.db2.gz AIPAKINBFHEAMN-JLLWLGSASA-N 1 0 275.377 3.391 20 70 CGIDRO Cc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217678809 292247825 /nfs/dbraw/zinc/24/78/25/292247825.db2.gz RKQHXNIECJWZDH-UAGQMJEPSA-N 1 0 258.409 3.272 20 70 CGIDRO CC(C)Cn1ncnc1C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000160365591 279265980 /nfs/dbraw/zinc/26/59/80/279265980.db2.gz YFODZGJWBNVBLG-GJZGRUSLSA-N 1 0 278.444 3.239 20 70 CGIDRO Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159913454 301815419 /nfs/dbraw/zinc/81/54/19/301815419.db2.gz WJYFXUMTEXSULR-IAGOWNOFSA-N 1 0 286.419 3.048 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000159974336 321844380 /nfs/dbraw/zinc/84/43/80/321844380.db2.gz DKPOURPYFGFPOI-GFCCVEGCSA-N 1 0 282.815 3.153 20 70 CGIDRO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160092526 321846261 /nfs/dbraw/zinc/84/62/61/321846261.db2.gz SXAYKRPMPPOWTL-CQSZACIVSA-N 1 0 277.408 3.207 20 70 CGIDRO COC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)C(C)C ZINC000161307685 321866076 /nfs/dbraw/zinc/86/60/76/321866076.db2.gz XKGANAGHGNJJOF-WBVHZDCISA-N 1 0 279.424 3.100 20 70 CGIDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)o1 ZINC000160554093 534052474 /nfs/dbraw/zinc/05/24/74/534052474.db2.gz ACQVNNZKJCFYLR-YRGRVCCFSA-N 1 0 263.381 3.450 20 70 CGIDRO O=C(CCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000160039081 534344294 /nfs/dbraw/zinc/34/42/94/534344294.db2.gz FLHWJOLJAZMEJK-IYBDPMFKSA-N 1 0 257.377 3.381 20 70 CGIDRO CCCCC[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161445582 520299424 /nfs/dbraw/zinc/29/94/24/520299424.db2.gz UFLZCHLQJRMYOA-LSVZVQIISA-N 1 0 280.456 3.334 20 70 CGIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000161291310 520626726 /nfs/dbraw/zinc/62/67/26/520626726.db2.gz NUIXYWMRUPWTHI-ARFHVFGLSA-N 1 0 282.472 3.439 20 70 CGIDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161510064 520829381 /nfs/dbraw/zinc/82/93/81/520829381.db2.gz SVHVHTGPFGWXGU-AWEZNQCLSA-N 1 0 299.418 3.003 20 70 CGIDRO CC1CC[NH+](CCNCc2ccc(Cl)cc2F)CC1 ZINC000160792099 521013658 /nfs/dbraw/zinc/01/36/58/521013658.db2.gz CMZSCISIGUGCAZ-UHFFFAOYSA-N 1 0 284.806 3.301 20 70 CGIDRO COCC[C@@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160808006 521796104 /nfs/dbraw/zinc/79/61/04/521796104.db2.gz VEPVNCBRIBKOHL-GFCCVEGCSA-N 1 0 298.814 3.073 20 70 CGIDRO CC(C)(C)c1ncc(C[NH2+][C@@H]2CCOC(C)(C)C2)s1 ZINC000160434921 526880354 /nfs/dbraw/zinc/88/03/54/526880354.db2.gz DRYHTUVLQRIMGC-LLVKDONJSA-N 1 0 282.453 3.488 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCC1CCCCC1 ZINC000160987681 527486230 /nfs/dbraw/zinc/48/62/30/527486230.db2.gz CNSKRSHMHHBFRR-OAHLLOKOSA-N 1 0 274.408 3.312 20 70 CGIDRO CCSCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000159714824 529179376 /nfs/dbraw/zinc/17/93/76/529179376.db2.gz NCKQFTYUJXHZLZ-UHFFFAOYSA-N 1 0 293.476 3.463 20 70 CGIDRO COC(=O)C1([NH2+]CC2CCCCC2)CCCCC1 ZINC000217096907 572859930 /nfs/dbraw/zinc/85/99/30/572859930.db2.gz VOTKENLQNGRLMO-UHFFFAOYSA-N 1 0 253.386 3.032 20 70 CGIDRO CN(C)C1(C[NH2+]C2CC(c3ccccc3)C2)CCCC1 ZINC000160705489 232246991 /nfs/dbraw/zinc/24/69/91/232246991.db2.gz YJVKGNHKYUGHMT-UHFFFAOYSA-N 1 0 272.436 3.397 20 70 CGIDRO CCCC[NH+]1CCC(NC(=O)[C@H](C)c2ccsc2)CC1 ZINC000159629174 346167572 /nfs/dbraw/zinc/16/75/72/346167572.db2.gz LCHUMCWPYMVVHE-CYBMUJFWSA-N 1 0 294.464 3.232 20 70 CGIDRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc2c(c1)OCCO2 ZINC000159556609 346167954 /nfs/dbraw/zinc/16/79/54/346167954.db2.gz YGBSUAIOLFGNOK-ZIAGYGMSSA-N 1 0 293.432 3.394 20 70 CGIDRO c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)CO2 ZINC000159558467 188431932 /nfs/dbraw/zinc/43/19/32/188431932.db2.gz BEZYUXJZLKTFCM-JQHSSLGASA-N 1 0 297.398 3.010 20 70 CGIDRO CC[C@H](NC(=O)CCCCCC[NH3+])c1cc(F)ccc1F ZINC000160656779 188485269 /nfs/dbraw/zinc/48/52/69/188485269.db2.gz QBUCIWMMMVSBKX-HNNXBMFYSA-N 1 0 298.377 3.441 20 70 CGIDRO CC[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc(Cl)c1F ZINC000161494666 188530832 /nfs/dbraw/zinc/53/08/32/188530832.db2.gz DIWFJEQTKYGVGB-ZDUSSCGKSA-N 1 0 298.789 3.046 20 70 CGIDRO CCOc1cccc(C[NH2+][C@H](CC)c2cnn(C)c2)c1 ZINC000159382225 372138069 /nfs/dbraw/zinc/13/80/69/372138069.db2.gz GKPCCUCOWMAJLL-MRXNPFEDSA-N 1 0 273.380 3.060 20 70 CGIDRO CCN(CC[NH2+][C@@H](C)c1cncs1)C(=O)OC(C)(C)C ZINC000159457810 372146205 /nfs/dbraw/zinc/14/62/05/372146205.db2.gz AIKKRARVGJRXTK-NSHDSACASA-N 1 0 299.440 3.051 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159476728 372147049 /nfs/dbraw/zinc/14/70/49/372147049.db2.gz RKYRNDDVDVYYLP-OAGGEKHMSA-N 1 0 257.377 3.042 20 70 CGIDRO CSc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159477121 372147873 /nfs/dbraw/zinc/14/78/73/372147873.db2.gz JZDBZMMZYIOQDX-JYJNAYRXSA-N 1 0 289.444 3.456 20 70 CGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000159534772 372152562 /nfs/dbraw/zinc/15/25/62/372152562.db2.gz WHCVEOSQIURADE-IUCAKERBSA-N 1 0 262.180 3.367 20 70 CGIDRO C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000159626812 372163404 /nfs/dbraw/zinc/16/34/04/372163404.db2.gz JGFRENDNLQTPKK-NHCYSSNCSA-N 1 0 298.789 3.174 20 70 CGIDRO NC(=O)CC1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC000159717672 372171728 /nfs/dbraw/zinc/17/17/28/372171728.db2.gz ZPMSVLDIPIOOMR-UHFFFAOYSA-N 1 0 298.386 3.034 20 70 CGIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1(C)C ZINC000159779728 372179419 /nfs/dbraw/zinc/17/94/19/372179419.db2.gz VGDHVDUZIMSQFN-NWANDNLSSA-N 1 0 277.412 3.111 20 70 CGIDRO CN(Cc1ncc(-c2ccccc2)s1)[C@@H]1CCOC1 ZINC000160066898 372208163 /nfs/dbraw/zinc/20/81/63/372208163.db2.gz VZQYDMHDRZVBTM-CYBMUJFWSA-N 1 0 274.389 3.031 20 70 CGIDRO CCCCOC(=O)CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160107342 372214615 /nfs/dbraw/zinc/21/46/15/372214615.db2.gz HHMMRUXCUWXARF-INIZCTEOSA-N 1 0 290.407 3.260 20 70 CGIDRO CC[C@H](O)CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160159009 372220797 /nfs/dbraw/zinc/22/07/97/372220797.db2.gz PFHQULVSCTVCCW-JTQLQIEISA-N 1 0 279.277 3.095 20 70 CGIDRO CCCO[C@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1 ZINC000160275761 372233667 /nfs/dbraw/zinc/23/36/67/372233667.db2.gz ACKFNGMXISEKHO-INIZCTEOSA-N 1 0 287.407 3.115 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000160282253 372233765 /nfs/dbraw/zinc/23/37/65/372233765.db2.gz ZFVYNGHDKQWETE-GWCFXTLKSA-N 1 0 273.829 3.105 20 70 CGIDRO COCCCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159831388 372184034 /nfs/dbraw/zinc/18/40/34/372184034.db2.gz WOVCQNFMTWUFRW-MRXNPFEDSA-N 1 0 262.397 3.344 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159867353 372188345 /nfs/dbraw/zinc/18/83/45/372188345.db2.gz WIRNREPQIQAGES-CHWSQXEVSA-N 1 0 290.432 3.439 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(=O)NC(C)(C)C ZINC000159938723 372196248 /nfs/dbraw/zinc/19/62/48/372196248.db2.gz OTDUOEQNTMGOBO-XFXZXTDPSA-N 1 0 294.826 3.248 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000159943936 372196787 /nfs/dbraw/zinc/19/67/87/372196787.db2.gz RFIWZJUFGGWZTI-MRXNPFEDSA-N 1 0 253.349 3.122 20 70 CGIDRO Cc1ccc(C(=O)CC[N@@H+](C)CCc2nccs2)cc1 ZINC000161014724 372294375 /nfs/dbraw/zinc/29/43/75/372294375.db2.gz CNXILRQLTQPXFK-UHFFFAOYSA-N 1 0 288.416 3.199 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 ZINC000161059005 372299106 /nfs/dbraw/zinc/29/91/06/372299106.db2.gz IBURZCOXEAFLCW-OAHLLOKOSA-N 1 0 288.435 3.028 20 70 CGIDRO COCc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000160417352 372245274 /nfs/dbraw/zinc/24/52/74/372245274.db2.gz SQIAYBSJGPHPES-UHFFFAOYSA-N 1 0 285.387 3.474 20 70 CGIDRO CCCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160422043 372245713 /nfs/dbraw/zinc/24/57/13/372245713.db2.gz HLWCDFBZXVHGLH-DYVFJYSZSA-N 1 0 298.434 3.205 20 70 CGIDRO CC[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)C ZINC000160478911 372251824 /nfs/dbraw/zinc/25/18/24/372251824.db2.gz HHPBMCNIIOCXNG-SFHVURJKSA-N 1 0 290.451 3.043 20 70 CGIDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2C)nc1 ZINC000160489230 372251983 /nfs/dbraw/zinc/25/19/83/372251983.db2.gz CBFIRVHVUPBLDQ-UHFFFAOYSA-N 1 0 270.376 3.209 20 70 CGIDRO CN(C(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000161082192 372300764 /nfs/dbraw/zinc/30/07/64/372300764.db2.gz JPEXADFGXFKQRM-IBGZPJMESA-N 1 0 294.398 3.316 20 70 CGIDRO CC[C@H]([NH2+]CCOCC(C)C)c1ccc2c(c1)OCCO2 ZINC000160690077 372268452 /nfs/dbraw/zinc/26/84/52/372268452.db2.gz AHUDDAXOMAEHKX-HNNXBMFYSA-N 1 0 293.407 3.171 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccoc1 ZINC000160806967 372277217 /nfs/dbraw/zinc/27/72/17/372277217.db2.gz BLEAEGFZVVNGGR-CZUORRHYSA-N 1 0 284.359 3.126 20 70 CGIDRO COCC[C@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160832446 372279339 /nfs/dbraw/zinc/27/93/39/372279339.db2.gz KJKLANFKLJJFED-GJZGRUSLSA-N 1 0 294.439 3.410 20 70 CGIDRO CCOc1cccc(CN(C)Cc2ccc(F)cc2)n1 ZINC000161146941 372305969 /nfs/dbraw/zinc/30/59/69/372305969.db2.gz ILDFWXXDVZJDGD-UHFFFAOYSA-N 1 0 274.339 3.251 20 70 CGIDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000161168353 372307956 /nfs/dbraw/zinc/30/79/56/372307956.db2.gz ZIFDRQVQUZXBBZ-HNNXBMFYSA-N 1 0 294.483 3.297 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(C(F)(F)F)ccc1F ZINC000161221896 372311469 /nfs/dbraw/zinc/31/14/69/372311469.db2.gz HLQNIHLSHFRTCX-UHFFFAOYSA-N 1 0 279.277 3.049 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CC[NH2+]C(C)C)C1 ZINC000161290390 372314449 /nfs/dbraw/zinc/31/44/49/372314449.db2.gz PXTLFUZGHCQTJU-CVEARBPZSA-N 1 0 288.435 3.088 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300691 372315653 /nfs/dbraw/zinc/31/56/53/372315653.db2.gz OYONRWVISDMMML-CFVMTHIKSA-N 1 0 277.412 3.111 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccccc2)s1 ZINC000161406321 372322131 /nfs/dbraw/zinc/32/21/31/372322131.db2.gz CCOSIXNTQKPFGU-UKRRQHHQSA-N 1 0 275.417 3.483 20 70 CGIDRO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161470558 372327631 /nfs/dbraw/zinc/32/76/31/372327631.db2.gz JMUHDYPYLOPQAJ-LJHODMEESA-N 1 0 281.399 3.286 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504261 372328999 /nfs/dbraw/zinc/32/89/99/372328999.db2.gz CDOAYERSMHJHGD-IUODEOHRSA-N 1 0 291.341 3.392 20 70 CGIDRO Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1OCCC(C)C ZINC000161509860 372331215 /nfs/dbraw/zinc/33/12/15/372331215.db2.gz YFDLUZNLUPDQAF-HNNXBMFYSA-N 1 0 290.407 3.110 20 70 CGIDRO C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000217472243 376173782 /nfs/dbraw/zinc/17/37/82/376173782.db2.gz DQKOMGOZEFGIEE-KYHPRHEASA-N 1 0 274.452 3.499 20 70 CGIDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000217843230 376180351 /nfs/dbraw/zinc/18/03/51/376180351.db2.gz SOYNPRXTWNNQBS-NEPJUHHUSA-N 1 0 279.380 3.030 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)C1CC1)CC2 ZINC000159555108 542149345 /nfs/dbraw/zinc/14/93/45/542149345.db2.gz FRFMRLAXCUBWIP-LRDDRELGSA-N 1 0 259.393 3.188 20 70 CGIDRO CCCn1nccc1C[NH2+]CCSc1ccccc1 ZINC000160105597 542153051 /nfs/dbraw/zinc/15/30/51/542153051.db2.gz CGKWEUGCVWNJPN-UHFFFAOYSA-N 1 0 275.421 3.175 20 70 CGIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1cncs1 ZINC000160119459 533392568 /nfs/dbraw/zinc/39/25/68/533392568.db2.gz TUCMGRHCYHPCGQ-GFCCVEGCSA-N 1 0 293.411 3.065 20 70 CGIDRO CC[C@](C)(CCO)[NH2+]Cc1ccccc1C(F)(F)F ZINC000218101744 392995831 /nfs/dbraw/zinc/99/58/31/392995831.db2.gz IWFJIYBQOMXWCN-CYBMUJFWSA-N 1 0 275.314 3.346 20 70 CGIDRO Cc1cc(C(=O)C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c(C)n1C ZINC000218588071 392997489 /nfs/dbraw/zinc/99/74/89/392997489.db2.gz HDYKNLQWWFLFHA-IUODEOHRSA-N 1 0 276.424 3.335 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300925 286288567 /nfs/dbraw/zinc/28/85/67/286288567.db2.gz OYONRWVISDMMML-NWANDNLSSA-N 1 0 277.412 3.111 20 70 CGIDRO COCCC1(C[NH2+][C@@H](C)c2ccccn2)CCCC1 ZINC000159376192 277489206 /nfs/dbraw/zinc/48/92/06/277489206.db2.gz PCHLNXRAOJRLCO-AWEZNQCLSA-N 1 0 262.397 3.329 20 70 CGIDRO COC[C@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293047 277599059 /nfs/dbraw/zinc/59/90/59/277599059.db2.gz YIKFNCQHBLIJKL-KGLIPLIRSA-N 1 0 281.783 3.178 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000218152344 277629242 /nfs/dbraw/zinc/62/92/42/277629242.db2.gz MPMRNQLZVMJLRK-MGPQQGTHSA-N 1 0 276.428 3.234 20 70 CGIDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160998312 278468383 /nfs/dbraw/zinc/46/83/83/278468383.db2.gz DBUXFCJLOPMNBR-VNHYZAJKSA-N 1 0 274.408 3.168 20 70 CGIDRO Cc1cc2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)oc2cc1C ZINC000159664286 280692467 /nfs/dbraw/zinc/69/24/67/280692467.db2.gz IGOXOTYQDQHKEQ-GASCZTMLSA-N 1 0 298.386 3.016 20 70 CGIDRO Cc1ccc([C@@H]2CCCCN2C(=O)CC[NH2+]C(C)C)cc1 ZINC000159912771 321843185 /nfs/dbraw/zinc/84/31/85/321843185.db2.gz FPAYNZXLWCHXIE-KRWDZBQOSA-N 1 0 288.435 3.437 20 70 CGIDRO CC[C@H](C[NH2+][C@@H](CC)[C@@H]1CCOC1)Oc1ccccc1F ZINC000160330874 321850395 /nfs/dbraw/zinc/85/03/95/321850395.db2.gz XHDPNUORHSDRME-FMKPAKJESA-N 1 0 295.398 3.388 20 70 CGIDRO COC[C@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160836508 321858630 /nfs/dbraw/zinc/85/86/30/321858630.db2.gz XNXDBTRXWYSOFJ-KBPBESRZSA-N 1 0 280.412 3.020 20 70 CGIDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160281630 534232430 /nfs/dbraw/zinc/23/24/30/534232430.db2.gz JYHRCMNCFSYWNZ-SWLSCSKDSA-N 1 0 265.372 3.304 20 70 CGIDRO COC[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C(C)C ZINC000160623157 522351525 /nfs/dbraw/zinc/35/15/25/522351525.db2.gz CLSRVWWGEKOYCZ-CQSZACIVSA-N 1 0 296.480 3.215 20 70 CGIDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(OC)c1 ZINC000160488758 522631810 /nfs/dbraw/zinc/63/18/10/522631810.db2.gz BNHPAEVJJDJFPV-PVAVHDDUSA-N 1 0 277.408 3.287 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]C[C@H]2CCc3ccccc32)cn1 ZINC000160982173 523473690 /nfs/dbraw/zinc/47/36/90/523473690.db2.gz ZWYVQYHCWZRUMX-DZGCQCFKSA-N 1 0 269.392 3.284 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1ccco1)N(C)Cc1ccccc1 ZINC000160876169 524495841 /nfs/dbraw/zinc/49/58/41/524495841.db2.gz LCEKSWFGMVROKQ-CABCVRRESA-N 1 0 272.392 3.451 20 70 CGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[C@H]1c1ccccc1 ZINC000161234927 524862040 /nfs/dbraw/zinc/86/20/40/524862040.db2.gz BRVHSNXLLHAUJA-CZUORRHYSA-N 1 0 298.386 3.004 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161079843 525561916 /nfs/dbraw/zinc/56/19/16/525561916.db2.gz JITPDQUFQWLWEL-XZJROXQQSA-N 1 0 282.378 3.488 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161079943 525637799 /nfs/dbraw/zinc/63/77/99/525637799.db2.gz JITPDQUFQWLWEL-LYRGGWFBSA-N 1 0 282.378 3.488 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038511 525678772 /nfs/dbraw/zinc/67/87/72/525678772.db2.gz NFXMAOUGOGQYBE-XBFCOCLRSA-N 1 0 282.378 3.488 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000160393831 525699913 /nfs/dbraw/zinc/69/99/13/525699913.db2.gz VMADDRGWTZAAHE-IRXDYDNUSA-N 1 0 293.476 3.020 20 70 CGIDRO Cc1nccn1CCCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000161502247 527393355 /nfs/dbraw/zinc/39/33/55/527393355.db2.gz NEJWZGIWLJCJCI-CYBMUJFWSA-N 1 0 261.369 3.258 20 70 CGIDRO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160349337 528548438 /nfs/dbraw/zinc/54/84/38/528548438.db2.gz UFHIVOIIXZOPGY-ZIAGYGMSSA-N 1 0 268.445 3.096 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000160066318 529344077 /nfs/dbraw/zinc/34/40/77/529344077.db2.gz SDCMAFMOIBQSFA-KGLIPLIRSA-N 1 0 294.439 3.085 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000159698420 282090146 /nfs/dbraw/zinc/09/01/46/282090146.db2.gz UDVKHQVYNXVJGZ-OAHLLOKOSA-N 1 0 269.392 3.407 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000160068316 529689358 /nfs/dbraw/zinc/68/93/58/529689358.db2.gz WPPCYSYMAWDNQY-RYUDHWBXSA-N 1 0 270.367 3.346 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080637 529689798 /nfs/dbraw/zinc/68/97/98/529689798.db2.gz IBFWJDOTCORTIG-STQMWFEESA-N 1 0 282.403 3.215 20 70 CGIDRO CCOCCC[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000160656280 346171280 /nfs/dbraw/zinc/17/12/80/346171280.db2.gz OVXQJZFUYFIKJW-AWEZNQCLSA-N 1 0 257.324 3.432 20 70 CGIDRO CC(C)[N@@H+]1CC[C@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160909965 346172885 /nfs/dbraw/zinc/17/28/85/346172885.db2.gz BNDCJIHKFLOZPO-GFCCVEGCSA-N 1 0 284.806 3.299 20 70 CGIDRO CC[C@@H](c1ccc(F)cc1)N(C)Cc1nccn1C ZINC000160869733 346173006 /nfs/dbraw/zinc/17/30/06/346173006.db2.gz QZHITTZGZVOHGW-AWEZNQCLSA-N 1 0 261.344 3.142 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000161422954 346175137 /nfs/dbraw/zinc/17/51/37/346175137.db2.gz FKYCYLXXFQTKTI-GVDBMIGSSA-N 1 0 261.409 3.148 20 70 CGIDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000217937240 346291949 /nfs/dbraw/zinc/29/19/49/346291949.db2.gz VVELMJUFCUENGZ-YOEHRIQHSA-N 1 0 286.419 3.271 20 70 CGIDRO C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000160538288 188479484 /nfs/dbraw/zinc/47/94/84/188479484.db2.gz YSJMTDDVYQKWHO-RHSMWYFYSA-N 1 0 288.435 3.124 20 70 CGIDRO C[C@H](C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1 ZINC000160962487 188500141 /nfs/dbraw/zinc/50/01/41/188500141.db2.gz NGUULCOWTGMCHQ-CZUORRHYSA-N 1 0 282.387 3.146 20 70 CGIDRO COc1ccc2cc(C[NH2+]C(C)(C)[C@H](C)O)ccc2c1 ZINC000161144954 188510872 /nfs/dbraw/zinc/51/08/72/188510872.db2.gz HVWGGHGOSDYGOG-LBPRGKRZSA-N 1 0 273.376 3.097 20 70 CGIDRO C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000161338464 188522758 /nfs/dbraw/zinc/52/27/58/188522758.db2.gz OMZIZDFRFQKVRE-RHSMWYFYSA-N 1 0 288.435 3.213 20 70 CGIDRO CC(C)(C)c1nsc(N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000159369071 372136190 /nfs/dbraw/zinc/13/61/90/372136190.db2.gz GYGLDMCYLZBXAM-NSHDSACASA-N 1 0 294.468 3.264 20 70 CGIDRO CCOc1cccc(C[NH2+][C@@H](C)c2cncc(F)c2)c1 ZINC000159407233 372141817 /nfs/dbraw/zinc/14/18/17/372141817.db2.gz NEJCKRFVXSRJMQ-LBPRGKRZSA-N 1 0 274.339 3.470 20 70 CGIDRO CCSCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000159472010 372147623 /nfs/dbraw/zinc/14/76/23/372147623.db2.gz YIXSPGDTHRAVRL-UHFFFAOYSA-N 1 0 284.513 3.328 20 70 CGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000159523429 372152632 /nfs/dbraw/zinc/15/26/32/372152632.db2.gz HOYZFKSYZQXKGP-MNOVXSKESA-N 1 0 294.782 3.369 20 70 CGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159555495 372156281 /nfs/dbraw/zinc/15/62/81/372156281.db2.gz XZZDYNYAHSJPIO-HIFRSBDPSA-N 1 0 295.448 3.258 20 70 CGIDRO Cc1cccc([C@H]2CCCN2CC(=O)Nc2ccccc2)n1 ZINC000159795801 372181585 /nfs/dbraw/zinc/18/15/85/372181585.db2.gz HQIFMNDUXWXJKH-QGZVFWFLSA-N 1 0 295.386 3.166 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622932 372162383 /nfs/dbraw/zinc/16/23/83/372162383.db2.gz LIWNNUSKPUBIRU-AAEUAGOBSA-N 1 0 282.428 3.438 20 70 CGIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000159624633 372162895 /nfs/dbraw/zinc/16/28/95/372162895.db2.gz SLORBJDVEBLQOO-ZANVPECISA-N 1 0 286.778 3.030 20 70 CGIDRO OCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000159709477 372171492 /nfs/dbraw/zinc/17/14/92/372171492.db2.gz QLVYREVPDVNWIF-MRXNPFEDSA-N 1 0 275.779 3.206 20 70 CGIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767219 372178782 /nfs/dbraw/zinc/17/87/82/372178782.db2.gz HODKWEBKEJUXJY-ARFHVFGLSA-N 1 0 293.455 3.445 20 70 CGIDRO C[NH+](C)CCN(C(=O)CCC(C)(C)C)C1CCCC1 ZINC000160057697 372209047 /nfs/dbraw/zinc/20/90/47/372209047.db2.gz PPXFJPFGLOEJIH-UHFFFAOYSA-N 1 0 268.445 3.146 20 70 CGIDRO CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160121938 372216883 /nfs/dbraw/zinc/21/68/83/372216883.db2.gz KBEJGPVNLDSCJW-CABCVRRESA-N 1 0 280.456 3.051 20 70 CGIDRO CC[C@@]1(C)C[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160166192 372220875 /nfs/dbraw/zinc/22/08/75/372220875.db2.gz NBCCMSJCMOHLHE-WMZOPIPTSA-N 1 0 288.435 3.061 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000160181521 372221986 /nfs/dbraw/zinc/22/19/86/372221986.db2.gz DASFUPJPJNDKJS-JQWIXIFHSA-N 1 0 273.467 3.130 20 70 CGIDRO Fc1cccc(Br)c1C[NH2+]CC1CC1 ZINC000160260345 372231151 /nfs/dbraw/zinc/23/11/51/372231151.db2.gz FEQJHVSDOKJNKA-UHFFFAOYSA-N 1 0 258.134 3.088 20 70 CGIDRO C[C@H](CCNC(=O)[C@@H]1CC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000159819369 372183193 /nfs/dbraw/zinc/18/31/93/372183193.db2.gz LNZGKCHOVYFSOJ-ZBFHGGJFSA-N 1 0 288.435 3.059 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2sccc2C1 ZINC000159867089 372189436 /nfs/dbraw/zinc/18/94/36/372189436.db2.gz WIRNREPQIQAGES-OLZOCXBDSA-N 1 0 290.432 3.439 20 70 CGIDRO COCCOc1cccc(C[NH2+]CCc2cccc(C)c2)c1 ZINC000159904401 372193242 /nfs/dbraw/zinc/19/32/42/372193242.db2.gz KWZSVWKNJYXOIS-UHFFFAOYSA-N 1 0 299.414 3.353 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc32)cn1 ZINC000159924550 372194989 /nfs/dbraw/zinc/19/49/89/372194989.db2.gz PYRBMQQHZQPAJL-CABCVRRESA-N 1 0 298.434 3.005 20 70 CGIDRO CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160987767 372293030 /nfs/dbraw/zinc/29/30/30/372293030.db2.gz ADHGPSZDZTWJFU-KCJUWKMLSA-N 1 0 289.206 3.298 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047643 372298957 /nfs/dbraw/zinc/29/89/57/372298957.db2.gz ZCNHJGPIAFKNQF-XQQFMLRXSA-N 1 0 281.831 3.258 20 70 CGIDRO CCC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000160479481 372251906 /nfs/dbraw/zinc/25/19/06/372251906.db2.gz DVUQJPWDTYXTNZ-UHFFFAOYSA-N 1 0 286.375 3.214 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546662 372256003 /nfs/dbraw/zinc/25/60/03/372256003.db2.gz GONRVGPANQWDLT-STQMWFEESA-N 1 0 282.453 3.121 20 70 CGIDRO C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160643987 372264677 /nfs/dbraw/zinc/26/46/77/372264677.db2.gz OAAGZBARIOUCFM-UNEWFSDZSA-N 1 0 279.399 3.288 20 70 CGIDRO Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160667098 372267046 /nfs/dbraw/zinc/26/70/46/372267046.db2.gz DRJMDHAONRHQCN-UHFFFAOYSA-N 1 0 271.408 3.484 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)cn1 ZINC000160812967 372277341 /nfs/dbraw/zinc/27/73/41/372277341.db2.gz JMHOHANQQXIYOV-RHSMWYFYSA-N 1 0 287.407 3.067 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)o1 ZINC000160843851 372281487 /nfs/dbraw/zinc/28/14/87/372281487.db2.gz OAGABOCRLUXLJP-UHFFFAOYSA-N 1 0 281.359 3.406 20 70 CGIDRO c1ccc2c(c1)CC[C@H]2[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161119870 372302127 /nfs/dbraw/zinc/30/21/27/372302127.db2.gz CBYCWMVOVWGACX-MRXNPFEDSA-N 1 0 281.355 3.235 20 70 CGIDRO CN(CCOc1ccc(Cl)cc1)Cc1cncs1 ZINC000161154819 372306270 /nfs/dbraw/zinc/30/62/70/372306270.db2.gz UGWDYXIYRBOPDO-UHFFFAOYSA-N 1 0 282.796 3.307 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000161236278 372311056 /nfs/dbraw/zinc/31/10/56/372311056.db2.gz HOTOZIUPTZWPTG-UHFFFAOYSA-N 1 0 293.741 3.146 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(C(C)(C)C)s1 ZINC000161220690 372311506 /nfs/dbraw/zinc/31/15/06/372311506.db2.gz CYHVHOTVOOKYIT-UHFFFAOYSA-N 1 0 255.427 3.250 20 70 CGIDRO CC(C)[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000161472693 372327000 /nfs/dbraw/zinc/32/70/00/372327000.db2.gz NQGNHMIGSRRUQI-GOSISDBHSA-N 1 0 288.435 3.047 20 70 CGIDRO CN1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000161461232 372327157 /nfs/dbraw/zinc/32/71/57/372327157.db2.gz ZXBFZSYTKRWLQW-IAGOWNOFSA-N 1 0 258.409 3.007 20 70 CGIDRO CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161502102 372328877 /nfs/dbraw/zinc/32/88/77/372328877.db2.gz XMNHZNFAAQDCTG-CMPLNLGQSA-N 1 0 296.798 3.195 20 70 CGIDRO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161482151 372329360 /nfs/dbraw/zinc/32/93/60/372329360.db2.gz YQQBIYXUFMRHJK-HIFRSBDPSA-N 1 0 275.417 3.483 20 70 CGIDRO Cc1ccccc1C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000161493302 372329577 /nfs/dbraw/zinc/32/95/77/372329577.db2.gz OHDZUEQXDKUUPZ-CQSZACIVSA-N 1 0 287.325 3.130 20 70 CGIDRO CCN(CC[NH2+]Cc1ccc(C2CC2)cc1)C1CC1 ZINC000217434815 376174973 /nfs/dbraw/zinc/17/49/73/376174973.db2.gz RGJQPJAWNKOWEY-UHFFFAOYSA-N 1 0 258.409 3.138 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)c1 ZINC000218189650 376185346 /nfs/dbraw/zinc/18/53/46/376185346.db2.gz LCQOKWZYZBZUCG-YLQAJVPDSA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000218237437 376187093 /nfs/dbraw/zinc/18/70/93/376187093.db2.gz VOCDKRXHKMFZDT-UONOGXRCSA-N 1 0 257.381 3.250 20 70 CGIDRO C[C@@H]([C@H](C)[NH2+]CC(C)(C)S(C)(=O)=O)C1CCCCC1 ZINC000159881036 542152178 /nfs/dbraw/zinc/15/21/78/542152178.db2.gz UESCNOMMDPJMHU-STQMWFEESA-N 1 0 289.485 3.004 20 70 CGIDRO COc1cc(C[NH2+][C@H](C)c2ccsc2)cc2c1OCO2 ZINC000159900948 542151584 /nfs/dbraw/zinc/15/15/84/542151584.db2.gz JEVDFJNVBWSXNB-SNVBAGLBSA-N 1 0 291.372 3.336 20 70 CGIDRO C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000161015299 542157243 /nfs/dbraw/zinc/15/72/43/542157243.db2.gz JMNMPLQYVFNNJI-BPLDGKMQSA-N 1 0 274.408 3.311 20 70 CGIDRO COc1cccc(Cl)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000159778687 533561279 /nfs/dbraw/zinc/56/12/79/533561279.db2.gz GNPQELNBHNZHDZ-NSHDSACASA-N 1 0 283.799 3.396 20 70 CGIDRO Cc1cc(N[C@H]2CCCc3cc(N)ccc32)cc[nH+]1 ZINC000159495605 392580548 /nfs/dbraw/zinc/58/05/48/392580548.db2.gz NSWRWPLNTSSHIV-INIZCTEOSA-N 1 0 253.349 3.462 20 70 CGIDRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000217237935 392994516 /nfs/dbraw/zinc/99/45/16/392994516.db2.gz GKTANAVMOBXBAI-WMLDXEAASA-N 1 0 292.398 3.125 20 70 CGIDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C)C2)c(F)c1 ZINC000218674228 392997703 /nfs/dbraw/zinc/99/77/03/392997703.db2.gz DGOLAIPTXRGWEF-OLZOCXBDSA-N 1 0 278.371 3.193 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159622777 287058502 /nfs/dbraw/zinc/05/85/02/287058502.db2.gz LIWNNUSKPUBIRU-DGCLKSJQSA-N 1 0 282.428 3.438 20 70 CGIDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000218686554 270085390 /nfs/dbraw/zinc/08/53/90/270085390.db2.gz FROUJDKLAZRKEU-QGZVFWFLSA-N 1 0 289.806 3.375 20 70 CGIDRO Cc1cc(C)c(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218126977 270085502 /nfs/dbraw/zinc/08/55/02/270085502.db2.gz ODXKAJDQIRXZHV-ROUUACIJSA-N 1 0 272.436 3.328 20 70 CGIDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000218689138 270085628 /nfs/dbraw/zinc/08/56/28/270085628.db2.gz DKNODIFYNXGCHE-QGZVFWFLSA-N 1 0 289.806 3.375 20 70 CGIDRO CCC[C@H](CCc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160938707 276041858 /nfs/dbraw/zinc/04/18/58/276041858.db2.gz IDAMUDZHLPROPH-SJORKVTESA-N 1 0 288.435 3.046 20 70 CGIDRO CO[C@@]1(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CCOC1 ZINC000160101536 277703633 /nfs/dbraw/zinc/70/36/33/277703633.db2.gz NWOBYKQKTQAEMM-FUHWJXTLSA-N 1 0 289.419 3.194 20 70 CGIDRO c1ccc(C[C@@H]([NH2+][C@H]2CCCSC2)C2CC2)cc1 ZINC000159529619 321835903 /nfs/dbraw/zinc/83/59/03/321835903.db2.gz VHGHKTWWTCYACN-JKSUJKDBSA-N 1 0 261.434 3.493 20 70 CGIDRO COc1cc(C)ccc1[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000160092667 321846019 /nfs/dbraw/zinc/84/60/19/321846019.db2.gz SXAYKRPMPPOWTL-AWEZNQCLSA-N 1 0 277.408 3.207 20 70 CGIDRO CC[C@H]([NH2+]CCOc1c(C)cccc1C)[C@H]1CCOC1 ZINC000160277976 321849621 /nfs/dbraw/zinc/84/96/21/321849621.db2.gz MPUCYLAILQVNBC-HOTGVXAUSA-N 1 0 277.408 3.087 20 70 CGIDRO Fc1cc(Cl)cc(C[NH2+]CCCCn2ccnc2)c1 ZINC000160922972 321860190 /nfs/dbraw/zinc/86/01/90/321860190.db2.gz PGHKZRVILFDQOJ-UHFFFAOYSA-N 1 0 281.762 3.246 20 70 CGIDRO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000216859600 329307482 /nfs/dbraw/zinc/30/74/82/329307482.db2.gz LVXQLQLYPLWLCS-YOEHRIQHSA-N 1 0 292.467 3.431 20 70 CGIDRO COC(C[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1)OC ZINC000160697510 522533709 /nfs/dbraw/zinc/53/37/09/522533709.db2.gz JJHIULHVUKWYPE-OAHLLOKOSA-N 1 0 263.381 3.059 20 70 CGIDRO CC(C)(NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000159646255 519310370 /nfs/dbraw/zinc/31/03/70/519310370.db2.gz MOQFGARYTGGKLT-RISCZKNCSA-N 1 0 294.826 3.209 20 70 CGIDRO COC[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000160749716 522248940 /nfs/dbraw/zinc/24/89/40/522248940.db2.gz QTWNCBJVPZUDCP-CQSZACIVSA-N 1 0 287.407 3.120 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCc3ccccc32)cn1 ZINC000160981788 523454928 /nfs/dbraw/zinc/45/49/28/523454928.db2.gz ZWYVQYHCWZRUMX-HIFRSBDPSA-N 1 0 269.392 3.284 20 70 CGIDRO COc1ccccc1C[N@H+](CCO)CCC1CCCC1 ZINC000160484466 524441101 /nfs/dbraw/zinc/44/11/01/524441101.db2.gz NQNUAQIBDVYQGH-UHFFFAOYSA-N 1 0 277.408 3.070 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000160367346 525641203 /nfs/dbraw/zinc/64/12/03/525641203.db2.gz LVKNOJHVTZAOLE-SUMWQHHRSA-N 1 0 293.476 3.330 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+](C(C)C)C1CCOCC1 ZINC000160566525 527176887 /nfs/dbraw/zinc/17/68/87/527176887.db2.gz HTYPNEGKZZDDHL-UHFFFAOYSA-N 1 0 287.407 3.032 20 70 CGIDRO CCOCCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159914393 528659802 /nfs/dbraw/zinc/65/98/02/528659802.db2.gz OHPTZBYQIDUUMM-UHFFFAOYSA-N 1 0 263.381 3.031 20 70 CGIDRO [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000159720322 232241092 /nfs/dbraw/zinc/24/10/92/232241092.db2.gz FZUZTRFPWVVENW-RCCFBDPRSA-N 1 0 294.398 3.139 20 70 CGIDRO CC[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(C)cc1 ZINC000160130293 346170040 /nfs/dbraw/zinc/17/00/40/346170040.db2.gz GCNNKGGWKZXYNK-WBVHZDCISA-N 1 0 288.435 3.089 20 70 CGIDRO CC(C)[N@@H+]1CC[C@@H](CNCc2cc(F)cc(Cl)c2)C1 ZINC000160910106 346173072 /nfs/dbraw/zinc/17/30/72/346173072.db2.gz BNDCJIHKFLOZPO-LBPRGKRZSA-N 1 0 284.806 3.299 20 70 CGIDRO CCCOc1ccc(CNCC[N@H+](C)[C@H](C)CC)cc1 ZINC000217375280 346291199 /nfs/dbraw/zinc/29/11/99/346291199.db2.gz LHYKWRRUMUQMFU-OAHLLOKOSA-N 1 0 278.440 3.295 20 70 CGIDRO C[C@H]([NH2+]CCSc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160052744 188452870 /nfs/dbraw/zinc/45/28/70/188452870.db2.gz DACSURIMADVIPA-RYUDHWBXSA-N 1 0 285.840 3.447 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)CC2 ZINC000159362966 372135692 /nfs/dbraw/zinc/13/56/92/372135692.db2.gz CPQZKCQQXZCNAC-MSOLQXFVSA-N 1 0 291.435 3.459 20 70 CGIDRO COc1ccccc1C[N@H+](CCOCC1CC1)C1CC1 ZINC000159408148 372141254 /nfs/dbraw/zinc/14/12/54/372141254.db2.gz VMBFNGLCWOWDEL-UHFFFAOYSA-N 1 0 275.392 3.086 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000159457613 372146024 /nfs/dbraw/zinc/14/60/24/372146024.db2.gz VJUIPOWYZPMHNC-CFVMTHIKSA-N 1 0 271.470 3.455 20 70 CGIDRO Cc1ccc(C[NH+](C)C)cc1N[C@@H](C)CCn1cccn1 ZINC000159473714 372148031 /nfs/dbraw/zinc/14/80/31/372148031.db2.gz YBAFIAUSNCRPNX-HNNXBMFYSA-N 1 0 286.423 3.144 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCc1cccc(F)c1 ZINC000159816004 372182700 /nfs/dbraw/zinc/18/27/00/372182700.db2.gz HFFXBNRBBSWYTI-INIZCTEOSA-N 1 0 287.382 3.159 20 70 CGIDRO CC(C)[C@H](C)[NH2+]C[C@H](C)N1CCc2ccccc2C1 ZINC000159801337 372181358 /nfs/dbraw/zinc/18/13/58/372181358.db2.gz AIEPUUANOAXRBC-GJZGRUSLSA-N 1 0 260.425 3.067 20 70 CGIDRO Cc1ccsc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159580651 372157902 /nfs/dbraw/zinc/15/79/02/372157902.db2.gz XTAPOQGAOIEESW-YUTCNCBUSA-N 1 0 263.406 3.104 20 70 CGIDRO CCSCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000159584470 372157973 /nfs/dbraw/zinc/15/79/73/372157973.db2.gz HVBNTVMYQCCIIW-AWEZNQCLSA-N 1 0 269.410 3.014 20 70 CGIDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763445 372177929 /nfs/dbraw/zinc/17/79/29/372177929.db2.gz BDEHNURFLMUXKD-DLBZAZTESA-N 1 0 289.419 3.193 20 70 CGIDRO C[C@H](CCC(C)(C)C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000159773314 372178023 /nfs/dbraw/zinc/17/80/23/372178023.db2.gz IHVMRMSWJUHKTF-UONOGXRCSA-N 1 0 282.472 3.343 20 70 CGIDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763699 372178439 /nfs/dbraw/zinc/17/84/39/372178439.db2.gz BDEHNURFLMUXKD-IAGOWNOFSA-N 1 0 289.419 3.193 20 70 CGIDRO CCOC(=O)CCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160064298 372208749 /nfs/dbraw/zinc/20/87/49/372208749.db2.gz MSACRAGSMSXECY-MRXNPFEDSA-N 1 0 290.407 3.260 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000160138174 372215938 /nfs/dbraw/zinc/21/59/38/372215938.db2.gz RMWMWJKVBOCCGH-KBPBESRZSA-N 1 0 264.413 3.076 20 70 CGIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000160196944 372223757 /nfs/dbraw/zinc/22/37/57/372223757.db2.gz PSYFVYHHRYWTNH-DZGCQCFKSA-N 1 0 259.349 3.188 20 70 CGIDRO CCCc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160252292 372229615 /nfs/dbraw/zinc/22/96/15/372229615.db2.gz KZJXDDJRNJNGKW-XJKSGUPXSA-N 1 0 281.465 3.404 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000160279984 372233935 /nfs/dbraw/zinc/23/39/35/372233935.db2.gz VPOFZSNYURWSEA-ZYHUDNBSSA-N 1 0 285.478 3.001 20 70 CGIDRO CC[C@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1F ZINC000160315952 372236935 /nfs/dbraw/zinc/23/69/35/372236935.db2.gz VRFRAQIAKUBHER-QWHCGFSZSA-N 1 0 289.354 3.124 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000160325950 372237926 /nfs/dbraw/zinc/23/79/26/372237926.db2.gz JLNPAWSQCBBJRN-XEZPLFJOSA-N 1 0 279.449 3.329 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000160323886 372238156 /nfs/dbraw/zinc/23/81/56/372238156.db2.gz WAJUSBUXIMPIAP-UKRRQHHQSA-N 1 0 297.464 3.238 20 70 CGIDRO Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000159913604 372193406 /nfs/dbraw/zinc/19/34/06/372193406.db2.gz WJYFXUMTEXSULR-IRXDYDNUSA-N 1 0 286.419 3.048 20 70 CGIDRO CC(C)[N@H+](CCOc1ccccc1)CCc1nccs1 ZINC000159947158 372196753 /nfs/dbraw/zinc/19/67/53/372196753.db2.gz UBAUIAJRNIPPRV-UHFFFAOYSA-N 1 0 290.432 3.475 20 70 CGIDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000159951271 372198408 /nfs/dbraw/zinc/19/84/08/372198408.db2.gz ZLNOQLNXFQLCRW-DZGCQCFKSA-N 1 0 277.408 3.173 20 70 CGIDRO COCC[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161038239 372297135 /nfs/dbraw/zinc/29/71/35/372297135.db2.gz BMYMPXSYWXMLRJ-CXAGYDPISA-N 1 0 293.407 3.170 20 70 CGIDRO CC(C)c1nsc(N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000160429543 372245864 /nfs/dbraw/zinc/24/58/64/372245864.db2.gz LJHROYXGSCMPOL-CYBMUJFWSA-N 1 0 294.468 3.116 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000160423649 372246313 /nfs/dbraw/zinc/24/63/13/372246313.db2.gz SEFYNQONYNQIMP-UHFFFAOYSA-N 1 0 296.842 3.251 20 70 CGIDRO CCC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000160482056 372251565 /nfs/dbraw/zinc/25/15/65/372251565.db2.gz XDAXFUUTXCUNFL-UHFFFAOYSA-N 1 0 257.381 3.439 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CCO1 ZINC000160545949 372255841 /nfs/dbraw/zinc/25/58/41/372255841.db2.gz SZPNNLIVNCVQSQ-CYBMUJFWSA-N 1 0 299.361 3.378 20 70 CGIDRO C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160643861 372265202 /nfs/dbraw/zinc/26/52/02/372265202.db2.gz OAAGZBARIOUCFM-LXZKKBNFSA-N 1 0 279.399 3.288 20 70 CGIDRO Cn1c(C[N@H+](C)C2CCCCC2)nnc1-c1ccccc1 ZINC000160671256 372266930 /nfs/dbraw/zinc/26/69/30/372266930.db2.gz NXMLAOVVQMYPRA-UHFFFAOYSA-N 1 0 284.407 3.247 20 70 CGIDRO CC[NH+](CC)CC(=O)N1CCC[C@H]1c1cc(C)ccc1C ZINC000160687054 372268283 /nfs/dbraw/zinc/26/82/83/372268283.db2.gz YGGPRYOYHGIRGG-KRWDZBQOSA-N 1 0 288.435 3.309 20 70 CGIDRO CN(Cc1ccc(N2CCCC2)nc1)Cc1ccccc1F ZINC000160727754 372271021 /nfs/dbraw/zinc/27/10/21/372271021.db2.gz CURDLFQCPWCVIR-UHFFFAOYSA-N 1 0 299.393 3.453 20 70 CGIDRO C[C@@H](N[C@@H](C)c1ccoc1)c1cn(-c2ccccc2)nn1 ZINC000160754989 372273279 /nfs/dbraw/zinc/27/32/79/372273279.db2.gz SNVAPDMLFWNOJY-QWHCGFSZSA-N 1 0 282.347 3.272 20 70 CGIDRO Cc1cc(C)cc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000161198592 372309290 /nfs/dbraw/zinc/30/92/90/372309290.db2.gz YBYXOWCGHKYLLT-UHFFFAOYSA-N 1 0 295.430 3.016 20 70 CGIDRO Clc1ccccc1CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161383585 372319542 /nfs/dbraw/zinc/31/95/42/372319542.db2.gz TUVCQRNAEAYORW-UHFFFAOYSA-N 1 0 295.810 3.158 20 70 CGIDRO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(C(C)C)n1 ZINC000161430235 372322915 /nfs/dbraw/zinc/32/29/15/372322915.db2.gz CZXGJFRQFZOJGG-GFCCVEGCSA-N 1 0 265.401 3.117 20 70 CGIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000161428289 372323717 /nfs/dbraw/zinc/32/37/17/372323717.db2.gz DSEREDKZRZCJDP-GFCCVEGCSA-N 1 0 298.377 3.341 20 70 CGIDRO CN1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475255 372327687 /nfs/dbraw/zinc/32/76/87/372327687.db2.gz GPCWERTZWQGLLW-OAHLLOKOSA-N 1 0 292.398 3.112 20 70 CGIDRO Cc1c([C@H](C)[NH2+]Cc2cccc3cc[nH]c32)cnn1C ZINC000218105210 376184590 /nfs/dbraw/zinc/18/45/90/376184590.db2.gz LCOJIKICDCLQSI-NSHDSACASA-N 1 0 268.364 3.061 20 70 CGIDRO CC(C)COCCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000218081229 376184660 /nfs/dbraw/zinc/18/46/60/376184660.db2.gz IJRJTTJOPXHZCZ-UHFFFAOYSA-N 1 0 260.381 3.320 20 70 CGIDRO COc1cc([C@H](C)NCCC[N@H+](C)C(C)C)ccc1F ZINC000218228710 376186550 /nfs/dbraw/zinc/18/65/50/376186550.db2.gz RQVLQNNYVAMUGB-ZDUSSCGKSA-N 1 0 282.403 3.215 20 70 CGIDRO Cc1cn2c(C[NH2+][C@H]3CCOC(C)(C)C3)c(C)nc2s1 ZINC000160479062 542155250 /nfs/dbraw/zinc/15/52/50/542155250.db2.gz HQOALCSMVQZACR-LBPRGKRZSA-N 1 0 293.436 3.060 20 70 CGIDRO C[N@H+](C[C@H](O)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000160808564 542156701 /nfs/dbraw/zinc/15/67/01/542156701.db2.gz YKHHOTITQBAGSP-SFHVURJKSA-N 1 0 279.383 3.459 20 70 CGIDRO COc1ccc(CN2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cc1Cl ZINC000160119438 533566440 /nfs/dbraw/zinc/56/64/40/533566440.db2.gz GJADGBFVSLVONQ-UONOGXRCSA-N 1 0 294.826 3.017 20 70 CGIDRO C[N@@H+]1CCN(Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000216731139 392992193 /nfs/dbraw/zinc/99/21/93/392992193.db2.gz BPGFOJFTOFMIBE-GOSISDBHSA-N 1 0 284.378 3.314 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000160437105 286681716 /nfs/dbraw/zinc/68/17/16/286681716.db2.gz OZZNLYZFYZSTSM-DLBZAZTESA-N 1 0 293.476 3.020 20 70 CGIDRO C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217484441 287132697 /nfs/dbraw/zinc/13/26/97/287132697.db2.gz QZWMWRCQADBGMZ-GXFFZTMASA-N 1 0 272.314 3.190 20 70 CGIDRO Cc1ccc(C2CC([NH2+][C@H]3CCN4CCCC[C@@H]34)C2)cc1 ZINC000217691685 270085232 /nfs/dbraw/zinc/08/52/32/270085232.db2.gz PNCSVKYGZHFYCK-BTRQGYIVSA-N 1 0 284.447 3.457 20 70 CGIDRO CC(C)[C@@H](C[NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000218211051 270085604 /nfs/dbraw/zinc/08/56/04/270085604.db2.gz TYTFCKNONHHHPE-MRXNPFEDSA-N 1 0 261.409 3.321 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539971 278383303 /nfs/dbraw/zinc/38/33/03/278383303.db2.gz RGAKDKWHGVPGOX-ABAIWWIYSA-N 1 0 292.398 3.096 20 70 CGIDRO CC1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000159853169 321841911 /nfs/dbraw/zinc/84/19/11/321841911.db2.gz RJBMAYUBASKSLL-UHFFFAOYSA-N 1 0 286.419 3.089 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908891 321843179 /nfs/dbraw/zinc/84/31/79/321843179.db2.gz GZSCWVVCGPBCPX-UONOGXRCSA-N 1 0 293.374 3.074 20 70 CGIDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H](c1ccccc1Cl)C(C)C ZINC000160078839 321846349 /nfs/dbraw/zinc/84/63/49/321846349.db2.gz JDDJQUSKQSJOMC-UONOGXRCSA-N 1 0 282.815 3.233 20 70 CGIDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160536974 321853204 /nfs/dbraw/zinc/85/32/04/321853204.db2.gz AVHDUEOMYLXGBA-MRXNPFEDSA-N 1 0 299.418 3.228 20 70 CGIDRO CCc1ccc([C@@H](CO)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000160766783 321856708 /nfs/dbraw/zinc/85/67/08/321856708.db2.gz APCRQXJFFRCBDP-NVXWUHKLSA-N 1 0 259.393 3.228 20 70 CGIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160824948 321858030 /nfs/dbraw/zinc/85/80/30/321858030.db2.gz NTNPATROZMAAAU-OAHLLOKOSA-N 1 0 280.456 3.146 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000161203040 521595553 /nfs/dbraw/zinc/59/55/53/521595553.db2.gz XQXJVAURNSJSGT-GOEBONIOSA-N 1 0 276.424 3.220 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)c1ccco1 ZINC000160658539 522030358 /nfs/dbraw/zinc/03/03/58/522030358.db2.gz VATJBBUBVFDUNU-AWEZNQCLSA-N 1 0 296.773 3.465 20 70 CGIDRO CC[C@H]([NH2+]CCOc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000161239740 522596994 /nfs/dbraw/zinc/59/69/94/522596994.db2.gz XQLIEQHRSMJVQV-KRWDZBQOSA-N 1 0 287.407 3.157 20 70 CGIDRO COc1ccc(COCCC[NH2+][C@H](C)C2(C)CC2)cc1 ZINC000161095238 524115093 /nfs/dbraw/zinc/11/50/93/524115093.db2.gz UEZCEODITOQQNK-CQSZACIVSA-N 1 0 277.408 3.380 20 70 CGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)C1CCOCC1 ZINC000161008753 525504007 /nfs/dbraw/zinc/50/40/07/525504007.db2.gz NVQKNRUSFWQHBB-CZUORRHYSA-N 1 0 259.393 3.121 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038270 525638703 /nfs/dbraw/zinc/63/87/03/525638703.db2.gz NFXMAOUGOGQYBE-BNOWGMLFSA-N 1 0 282.378 3.488 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000160406127 525700303 /nfs/dbraw/zinc/70/03/03/525700303.db2.gz OXUFSHUUFPSHBI-GJZGRUSLSA-N 1 0 281.465 3.376 20 70 CGIDRO CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160931095 346173054 /nfs/dbraw/zinc/17/30/54/346173054.db2.gz LOFGHUJZBDEBGO-BBRMVZONSA-N 1 0 299.361 3.201 20 70 CGIDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(F)cc1F ZINC000160931228 346173608 /nfs/dbraw/zinc/17/36/08/346173608.db2.gz LOFGHUJZBDEBGO-XJKSGUPXSA-N 1 0 299.361 3.201 20 70 CGIDRO CCCOc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217632607 346291007 /nfs/dbraw/zinc/29/10/07/346291007.db2.gz ILXQLUVIZJKCJZ-MSOLQXFVSA-N 1 0 288.435 3.192 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)C2CC2)c1 ZINC000160635273 188484310 /nfs/dbraw/zinc/48/43/10/188484310.db2.gz HTKVQZMFZTXKSH-INIZCTEOSA-N 1 0 274.408 3.105 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000217819805 189711894 /nfs/dbraw/zinc/71/18/94/189711894.db2.gz STJPSRULMRQBFB-BMFZPTHFSA-N 1 0 274.408 3.162 20 70 CGIDRO C[C@@H](c1ccccc1F)[N@H+](C)CCOCC1CC1 ZINC000159361389 372135822 /nfs/dbraw/zinc/13/58/22/372135822.db2.gz NXAAXGNGMDEFIU-LBPRGKRZSA-N 1 0 251.345 3.245 20 70 CGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCc1ccco1 ZINC000159367593 372136008 /nfs/dbraw/zinc/13/60/08/372136008.db2.gz BNOOWAQHIVRJET-UHFFFAOYSA-N 1 0 272.392 3.280 20 70 CGIDRO C[NH2+]CC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000159398485 372140053 /nfs/dbraw/zinc/14/00/53/372140053.db2.gz BMAIDWOLKGQEGB-UHFFFAOYSA-N 1 0 292.448 3.410 20 70 CGIDRO Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000159532850 372152206 /nfs/dbraw/zinc/15/22/06/372152206.db2.gz HOBOMRSTCUHFCX-BPUTZDHNSA-N 1 0 275.367 3.181 20 70 CGIDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1C ZINC000159578528 372157130 /nfs/dbraw/zinc/15/71/30/372157130.db2.gz LSMOSXHQNNYTMD-MRXNPFEDSA-N 1 0 288.435 3.275 20 70 CGIDRO CC(C)n1cc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000159633725 372162939 /nfs/dbraw/zinc/16/29/39/372162939.db2.gz CLVXDNKQBNQJFG-CYBMUJFWSA-N 1 0 292.471 3.424 20 70 CGIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625152 372163199 /nfs/dbraw/zinc/16/31/99/372163199.db2.gz PVCSZNWGISSBTD-RYUDHWBXSA-N 1 0 294.464 3.131 20 70 CGIDRO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCSC2)cn1 ZINC000159640587 372165317 /nfs/dbraw/zinc/16/53/17/372165317.db2.gz DUUCOPYVURJWQW-AAEUAGOBSA-N 1 0 253.415 3.010 20 70 CGIDRO CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccccc2C)c1 ZINC000159667695 372166407 /nfs/dbraw/zinc/16/64/07/372166407.db2.gz ISPDUZXFFMQRQD-OAHLLOKOSA-N 1 0 296.414 3.248 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160096811 372211801 /nfs/dbraw/zinc/21/18/01/372211801.db2.gz BRBQDXIMXXLKPL-CQSZACIVSA-N 1 0 277.408 3.289 20 70 CGIDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160325324 372237216 /nfs/dbraw/zinc/23/72/16/372237216.db2.gz JDAFLXKXSUYLKJ-SWLSCSKDSA-N 1 0 263.381 3.303 20 70 CGIDRO CC[C@H](C[NH2+][C@H](C)c1cnccn1)Oc1ccccc1F ZINC000160316233 372237673 /nfs/dbraw/zinc/23/76/73/372237673.db2.gz VRFRAQIAKUBHER-CHWSQXEVSA-N 1 0 289.354 3.124 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@@H](C)C3CCCC3)cn21 ZINC000160339670 372239214 /nfs/dbraw/zinc/23/92/14/372239214.db2.gz MWOFTFBTOWHZSQ-ZDUSSCGKSA-N 1 0 257.381 3.311 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccccc2)n1 ZINC000159807623 372183239 /nfs/dbraw/zinc/18/32/39/372183239.db2.gz ZOADXENTSQSYEW-ROUUACIJSA-N 1 0 282.387 3.261 20 70 CGIDRO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1=CCCC1 ZINC000159853555 372186840 /nfs/dbraw/zinc/18/68/40/372186840.db2.gz YYTKPWMUKYWKQH-UHFFFAOYSA-N 1 0 298.430 3.399 20 70 CGIDRO C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159916298 372192303 /nfs/dbraw/zinc/19/23/03/372192303.db2.gz VMBBTFJKJTZVOU-SECBINFHSA-N 1 0 294.196 3.310 20 70 CGIDRO CN(CC1CC[NH+](C)CC1)C(=O)C1CCC(C)(C)CC1 ZINC000160016843 372204867 /nfs/dbraw/zinc/20/48/67/372204867.db2.gz LFQAAQAZBKPJCI-UHFFFAOYSA-N 1 0 280.456 3.003 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)C[NH2+]CC1CC1 ZINC000160347810 372241274 /nfs/dbraw/zinc/24/12/74/372241274.db2.gz MKUSAWMRBSZWGB-UHFFFAOYSA-N 1 0 278.421 3.125 20 70 CGIDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000160465836 372249817 /nfs/dbraw/zinc/24/98/17/372249817.db2.gz KDLMHDFPPFWNNS-CABCVRRESA-N 1 0 292.448 3.409 20 70 CGIDRO CCC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC000160475580 372250118 /nfs/dbraw/zinc/25/01/18/372250118.db2.gz VMLFSMWINGYHRZ-UHFFFAOYSA-N 1 0 257.381 3.315 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000160636314 372265246 /nfs/dbraw/zinc/26/52/46/372265246.db2.gz USLXPFHTXZVAJZ-QGZVFWFLSA-N 1 0 288.435 3.351 20 70 CGIDRO c1cc(CN2CCC[C@@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721765 372271866 /nfs/dbraw/zinc/27/18/66/372271866.db2.gz QPHSBBRWXGHKAX-CYBMUJFWSA-N 1 0 284.388 3.357 20 70 CGIDRO CC1(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000160874298 372285809 /nfs/dbraw/zinc/28/58/09/372285809.db2.gz OCVNWNFQMFZWPH-AWEZNQCLSA-N 1 0 293.455 3.025 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000160911931 372288088 /nfs/dbraw/zinc/28/80/88/372288088.db2.gz MBXCMGGBINHDMM-WMLDXEAASA-N 1 0 298.434 3.375 20 70 CGIDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(N2CCCC2)nc1 ZINC000161145438 372305453 /nfs/dbraw/zinc/30/54/53/372305453.db2.gz PKVHVOLWKVWTEH-UHFFFAOYSA-N 1 0 299.393 3.453 20 70 CGIDRO Cc1nc(Cl)cc(NC[C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161291085 372314423 /nfs/dbraw/zinc/31/44/23/372314423.db2.gz PSERDIRPCILGCL-CYBMUJFWSA-N 1 0 296.846 3.218 20 70 CGIDRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)CC[NH2+]C(C)C)c1 ZINC000161307302 372316051 /nfs/dbraw/zinc/31/60/51/372316051.db2.gz ULCHECRWQWZFMF-OAHLLOKOSA-N 1 0 276.424 3.211 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1 ZINC000161446795 372325919 /nfs/dbraw/zinc/32/59/19/372325919.db2.gz OODIOTLDUUPYQL-WMLDXEAASA-N 1 0 255.361 3.113 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466246 372327642 /nfs/dbraw/zinc/32/76/42/372327642.db2.gz UCCNKIAOSYZKIJ-GXTWGEPZSA-N 1 0 290.794 3.162 20 70 CGIDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000218248758 376187569 /nfs/dbraw/zinc/18/75/69/376187569.db2.gz UTNIBJGCMXHQTE-ABAIWWIYSA-N 1 0 269.360 3.036 20 70 CGIDRO CCC[C@H](C)[NH2+]Cc1cncc(Br)c1 ZINC000160557400 542155164 /nfs/dbraw/zinc/15/51/64/542155164.db2.gz KABFMZVMANRJHB-VIFPVBQESA-N 1 0 257.175 3.122 20 70 CGIDRO CC[C@@H](NC(=O)CC1([NH3+])CCC1)C(C)(C)c1ccccc1 ZINC000160763435 542156657 /nfs/dbraw/zinc/15/66/57/542156657.db2.gz NATPMQXODOGDSN-OAHLLOKOSA-N 1 0 288.435 3.131 20 70 CGIDRO COc1ccc([C@@H](C)[N@H+](C)CCCn2ccnc2C)cc1 ZINC000161353907 533100467 /nfs/dbraw/zinc/10/04/67/533100467.db2.gz YVWQWFGJUXVPGQ-CQSZACIVSA-N 1 0 287.407 3.283 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000160495471 285362087 /nfs/dbraw/zinc/36/20/87/285362087.db2.gz YVSVQXVSIQVRRO-KCXAZCMYSA-N 1 0 293.382 3.180 20 70 CGIDRO CCOCCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000159550347 286056349 /nfs/dbraw/zinc/05/63/49/286056349.db2.gz GOKBEABJTDMSIE-KRWDZBQOSA-N 1 0 277.408 3.094 20 70 CGIDRO CC(C)(C)[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000160979496 275842951 /nfs/dbraw/zinc/84/29/51/275842951.db2.gz FQYCZVHVMQDYJU-ZDUSSCGKSA-N 1 0 275.396 3.045 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCCc2nc(C)sc21 ZINC000161197318 276366381 /nfs/dbraw/zinc/36/63/81/276366381.db2.gz IKQZXNBDXKDNEE-UONOGXRCSA-N 1 0 293.480 3.293 20 70 CGIDRO CC[C@@](C)(O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000160993727 276534786 /nfs/dbraw/zinc/53/47/86/276534786.db2.gz FFBVMQYXLCFZFB-QGZVFWFLSA-N 1 0 261.409 3.335 20 70 CGIDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2C)CC1 ZINC000159410995 278089495 /nfs/dbraw/zinc/08/94/95/278089495.db2.gz ALURNYAILJYZSQ-IUDNXUCKSA-N 1 0 274.408 3.093 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159476453 301588559 /nfs/dbraw/zinc/58/85/59/301588559.db2.gz RKYRNDDVDVYYLP-XHSDSOJGSA-N 1 0 257.377 3.042 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@](C)(O)CCC(C)C)CC2 ZINC000159363234 321833596 /nfs/dbraw/zinc/83/35/96/321833596.db2.gz CPQZKCQQXZCNAC-ROUUACIJSA-N 1 0 291.435 3.459 20 70 CGIDRO COc1cc(C)c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000160593360 321854077 /nfs/dbraw/zinc/85/40/77/321854077.db2.gz JFHKXBGUDLLMQE-CQSZACIVSA-N 1 0 293.407 3.059 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)C(C)C)c1 ZINC000160616942 321854888 /nfs/dbraw/zinc/85/48/88/321854888.db2.gz JLCOHJPJEAWPFY-MRXNPFEDSA-N 1 0 276.424 3.351 20 70 CGIDRO CC[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000160611811 321855074 /nfs/dbraw/zinc/85/50/74/321855074.db2.gz MUFLLQPDGMKKEV-SFHVURJKSA-N 1 0 290.451 3.043 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccoc1 ZINC000160807224 321858021 /nfs/dbraw/zinc/85/80/21/321858021.db2.gz BLEAEGFZVVNGGR-CJNGLKHVSA-N 1 0 284.359 3.126 20 70 CGIDRO CC[C@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000161168279 321863397 /nfs/dbraw/zinc/86/33/97/321863397.db2.gz VOPXHIAFOQPJTP-CQSZACIVSA-N 1 0 276.424 3.062 20 70 CGIDRO Cc1ccsc1CCCC(=O)NCC(C)(C)C[NH+](C)C ZINC000159909615 534459909 /nfs/dbraw/zinc/45/99/09/534459909.db2.gz IWHIXNOSCOSGGB-UHFFFAOYSA-N 1 0 296.480 3.083 20 70 CGIDRO CCOC[C@@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000160495957 520076396 /nfs/dbraw/zinc/07/63/96/520076396.db2.gz PAAJLFDTDRYNSS-LLVKDONJSA-N 1 0 291.313 3.099 20 70 CGIDRO CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC3(C)C)CC2)CC1 ZINC000161471200 520994762 /nfs/dbraw/zinc/99/47/62/520994762.db2.gz ILSOKQROWZABAJ-GPANFISMSA-N 1 0 292.467 3.192 20 70 CGIDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1F ZINC000160928037 522925577 /nfs/dbraw/zinc/92/55/77/522925577.db2.gz OTYCPFVNTOXFEB-HUUCEWRRSA-N 1 0 296.361 3.015 20 70 CGIDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(Cl)cc2F)n1 ZINC000160897742 524524365 /nfs/dbraw/zinc/52/43/65/524524365.db2.gz STUHZPRCFWMFPH-UHFFFAOYSA-N 1 0 295.789 3.472 20 70 CGIDRO Cc1ccccc1CC[NH2+]Cc1cccc2c1NCC2 ZINC000159437222 525115225 /nfs/dbraw/zinc/11/52/25/525115225.db2.gz XCADXAHDYJTUSI-UHFFFAOYSA-N 1 0 266.388 3.295 20 70 CGIDRO CC(C)CCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1 ZINC000161131768 527776111 /nfs/dbraw/zinc/77/61/11/527776111.db2.gz KRTFZLMENOLRKQ-CQSZACIVSA-N 1 0 279.424 3.361 20 70 CGIDRO CCOCCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000159741512 528660175 /nfs/dbraw/zinc/66/01/75/528660175.db2.gz WRULQXBGJDJDQY-UHFFFAOYSA-N 1 0 276.424 3.014 20 70 CGIDRO COCCOCCCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160144560 232244426 /nfs/dbraw/zinc/24/44/26/232244426.db2.gz ICVLAYSNUCTBMM-UHFFFAOYSA-N 1 0 289.778 3.012 20 70 CGIDRO O=C(CC/C=C/c1ccccc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000159487462 346167676 /nfs/dbraw/zinc/16/76/76/346167676.db2.gz FCUXPFYVHLLQLR-SBLNNXNXSA-N 1 0 298.430 3.081 20 70 CGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1 ZINC000159588531 346168132 /nfs/dbraw/zinc/16/81/32/346168132.db2.gz MBKOHOKBHCPZQZ-HOCLYGCPSA-N 1 0 272.392 3.280 20 70 CGIDRO CCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159639951 346168759 /nfs/dbraw/zinc/16/87/59/346168759.db2.gz WGYOLTYXGCCTLZ-RDJZCZTQSA-N 1 0 286.419 3.452 20 70 CGIDRO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H](C)c1ccccc1 ZINC000160489204 346170987 /nfs/dbraw/zinc/17/09/87/346170987.db2.gz DGRDXXGYDLLMOM-OHFALNGGSA-N 1 0 261.409 3.319 20 70 CGIDRO CCCCN(CCCC)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160741056 346172473 /nfs/dbraw/zinc/17/24/73/346172473.db2.gz KWXAVPBEGFHJBJ-MRXNPFEDSA-N 1 0 295.471 3.083 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000160329030 188466710 /nfs/dbraw/zinc/46/67/10/188466710.db2.gz XFUDZILLZUGMGG-GOEBONIOSA-N 1 0 277.408 3.203 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@H](C(C)C)C1 ZINC000161213674 188515704 /nfs/dbraw/zinc/51/57/04/188515704.db2.gz ZGTPINZJQOUBGT-KBPBESRZSA-N 1 0 268.445 3.083 20 70 CGIDRO CC(C)(C)c1nsc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000159368942 372135985 /nfs/dbraw/zinc/13/59/85/372135985.db2.gz GYGLDMCYLZBXAM-LLVKDONJSA-N 1 0 294.468 3.264 20 70 CGIDRO C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000159376867 372137322 /nfs/dbraw/zinc/13/73/22/372137322.db2.gz DXPCVFWZIMOAOI-TVQRCGJNSA-N 1 0 291.288 3.228 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000159457467 372146410 /nfs/dbraw/zinc/14/64/10/372146410.db2.gz VJUIPOWYZPMHNC-NWANDNLSSA-N 1 0 271.470 3.455 20 70 CGIDRO Cc1ccccc1[C@@H](NC(=O)[C@@H](C)[NH3+])[C@H]1CCC[C@H](C)C1 ZINC000159687983 372169988 /nfs/dbraw/zinc/16/99/88/372169988.db2.gz FOTRFUYDDSBBKO-GUSZCTEKSA-N 1 0 288.435 3.326 20 70 CGIDRO CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159703410 372172301 /nfs/dbraw/zinc/17/23/01/372172301.db2.gz LYIKJMCTMLOKJF-RDJZCZTQSA-N 1 0 286.419 3.153 20 70 CGIDRO [NH3+]C1(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)CCCCC1 ZINC000159723552 372173677 /nfs/dbraw/zinc/17/36/77/372173677.db2.gz MYLYGCXPLDNEJD-HOTGVXAUSA-N 1 0 286.419 3.101 20 70 CGIDRO CCn1cc(C[N@H+]2CC=C(c3ccccc3)CC2)cn1 ZINC000159751232 372176099 /nfs/dbraw/zinc/17/60/99/372176099.db2.gz MMHMOIJWQVPHPY-UHFFFAOYSA-N 1 0 267.376 3.192 20 70 CGIDRO CC[C@@H](O)CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160159138 372219849 /nfs/dbraw/zinc/21/98/49/372219849.db2.gz PFHQULVSCTVCCW-SNVBAGLBSA-N 1 0 279.277 3.095 20 70 CGIDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159843309 372186645 /nfs/dbraw/zinc/18/66/45/372186645.db2.gz OJNYJYYGZWTUBJ-QGZVFWFLSA-N 1 0 284.407 3.077 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cccc3c[nH]nc32)cc1 ZINC000159857426 372187037 /nfs/dbraw/zinc/18/70/37/372187037.db2.gz BZWNYOCGFKXSLC-UHFFFAOYSA-N 1 0 281.359 3.204 20 70 CGIDRO C[N@H+](CCSc1ccccc1F)C[C@@H]1CCC[C@@H]1O ZINC000159840574 372187375 /nfs/dbraw/zinc/18/73/75/372187375.db2.gz PDGVGYQRFLYYFA-JSGCOSHPSA-N 1 0 283.412 3.011 20 70 CGIDRO CC[C@H]1C[N@H+](CCn2ccnc2)CC[C@@H]1c1ccccc1 ZINC000159865466 372188672 /nfs/dbraw/zinc/18/86/72/372188672.db2.gz FTOOSMOVMIVCDM-WMZOPIPTSA-N 1 0 283.419 3.399 20 70 CGIDRO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C1 ZINC000161011206 372294930 /nfs/dbraw/zinc/29/49/30/372294930.db2.gz BLGAABTZVDIKCN-UMVBOHGHSA-N 1 0 274.408 3.311 20 70 CGIDRO C[C@H](CC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000161067077 372298934 /nfs/dbraw/zinc/29/89/34/372298934.db2.gz PFNNZMHWLMTHKK-MWQQHZPXSA-N 1 0 292.467 3.097 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC000160426452 372245494 /nfs/dbraw/zinc/24/54/94/372245494.db2.gz HXQFHOAWQAXNFR-CYBMUJFWSA-N 1 0 294.826 3.190 20 70 CGIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160428078 372246035 /nfs/dbraw/zinc/24/60/35/372246035.db2.gz ATXFYZGWUQLBEJ-CVEARBPZSA-N 1 0 290.451 3.043 20 70 CGIDRO CCOc1ccccc1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000160442849 372248462 /nfs/dbraw/zinc/24/84/62/372248462.db2.gz CFVPTTRRYYTILW-CQSZACIVSA-N 1 0 263.381 3.133 20 70 CGIDRO Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000160604708 372261526 /nfs/dbraw/zinc/26/15/26/372261526.db2.gz PUNHSQUMXIOFAK-SNVBAGLBSA-N 1 0 273.323 3.018 20 70 CGIDRO CC[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160620103 372263236 /nfs/dbraw/zinc/26/32/36/372263236.db2.gz RHWNFZZGARWNRJ-NSHDSACASA-N 1 0 252.427 3.343 20 70 CGIDRO C[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)c1ccco1 ZINC000160758677 372273129 /nfs/dbraw/zinc/27/31/29/372273129.db2.gz AALOQMFCQJMTIZ-GDBMZVCRSA-N 1 0 298.386 3.294 20 70 CGIDRO CN(Cc1cc(C(N)=O)cs1)Cc1cccc(Cl)c1 ZINC000161135356 372303958 /nfs/dbraw/zinc/30/39/58/372303958.db2.gz HIIQRAPXSVHKBG-UHFFFAOYSA-N 1 0 294.807 3.132 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291926 372314727 /nfs/dbraw/zinc/31/47/27/372314727.db2.gz RUYHKXVJQVEZOE-PMPSAXMXSA-N 1 0 293.455 3.445 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000161294791 372314759 /nfs/dbraw/zinc/31/47/59/372314759.db2.gz FXUINKBGIIXIHI-FDRIWYBQSA-N 1 0 294.826 3.009 20 70 CGIDRO Cc1nc(Cl)cc(NC[C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000161290987 372314845 /nfs/dbraw/zinc/31/48/45/372314845.db2.gz PSERDIRPCILGCL-ZDUSSCGKSA-N 1 0 296.846 3.218 20 70 CGIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@@H]21 ZINC000161306612 372316206 /nfs/dbraw/zinc/31/62/06/372316206.db2.gz VOWLTPNTNPWGNG-HOTGVXAUSA-N 1 0 292.467 3.146 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccco2)c1 ZINC000161426510 372323097 /nfs/dbraw/zinc/32/30/97/372323097.db2.gz XZZKJKKQGFVCJR-GFCCVEGCSA-N 1 0 275.348 3.190 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466132 372327802 /nfs/dbraw/zinc/32/78/02/372327802.db2.gz UCCNKIAOSYZKIJ-OCCSQVGLSA-N 1 0 290.794 3.162 20 70 CGIDRO CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000161506595 372330983 /nfs/dbraw/zinc/33/09/83/372330983.db2.gz DTNXRCCOENHOBF-GOSISDBHSA-N 1 0 274.452 3.328 20 70 CGIDRO C[C@@H](C[NH2+]Cc1cccc(C2CC2)c1)N(C)C1CC1 ZINC000217534772 376174502 /nfs/dbraw/zinc/17/45/02/376174502.db2.gz NADOCRHCZKJNIG-ZDUSSCGKSA-N 1 0 258.409 3.136 20 70 CGIDRO CCC1(CC)[C@@H]([NH2+][C@@H](C)c2cccnc2)C[C@@H]1OC ZINC000160109861 278631608 /nfs/dbraw/zinc/63/16/08/278631608.db2.gz PYSKPZJXSUEWBK-QEJZJMRPSA-N 1 0 262.397 3.326 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCSC1)CCCO2 ZINC000159531135 295275382 /nfs/dbraw/zinc/27/53/82/295275382.db2.gz VGDPNMCNYTXHBR-IUODEOHRSA-N 1 0 293.432 3.394 20 70 CGIDRO OCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000159716504 321838936 /nfs/dbraw/zinc/83/89/36/321838936.db2.gz YUYLHZAZPKFSTB-MRXNPFEDSA-N 1 0 293.769 3.345 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000160350776 321850380 /nfs/dbraw/zinc/85/03/80/321850380.db2.gz AORYMRAEGVOEQO-IRXDYDNUSA-N 1 0 295.492 3.347 20 70 CGIDRO c1ccc([C@@H]([NH2+][C@@H]2CCSC2)c2ccccn2)cc1 ZINC000218593108 518203941 /nfs/dbraw/zinc/20/39/41/518203941.db2.gz KXSPKDPQBCQSNL-GDBMZVCRSA-N 1 0 270.401 3.266 20 70 CGIDRO CC(C)n1ccnc1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000160875669 520030062 /nfs/dbraw/zinc/03/00/62/520030062.db2.gz VJJKBFZGSBCJSY-INIZCTEOSA-N 1 0 269.392 3.454 20 70 CGIDRO [NH3+]C1(CNC(=O)c2csc3c2CCCC3)CCCCC1 ZINC000159559832 534548124 /nfs/dbraw/zinc/54/81/24/534548124.db2.gz WFYQBNNOZWTIJW-UHFFFAOYSA-N 1 0 292.448 3.018 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160497885 522050292 /nfs/dbraw/zinc/05/02/92/522050292.db2.gz NGXFMCXJSYTORX-CYBMUJFWSA-N 1 0 268.445 3.001 20 70 CGIDRO CN(C)c1cccc(CN(C)CCC[NH+]2CCCCC2)c1 ZINC000161444663 522266537 /nfs/dbraw/zinc/26/65/37/522266537.db2.gz TUGFQKLISUDDCB-UHFFFAOYSA-N 1 0 289.467 3.060 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000161424490 523221671 /nfs/dbraw/zinc/22/16/71/523221671.db2.gz QRJUJLRELVUDKV-OGWOLHLISA-N 1 0 279.449 3.353 20 70 CGIDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161067629 524428997 /nfs/dbraw/zinc/42/89/97/524428997.db2.gz PGPYXLKCKJJECK-HNNXBMFYSA-N 1 0 296.414 3.175 20 70 CGIDRO COc1ccccc1C[N@H+](C)CCCCn1ccnc1C ZINC000161280244 524434257 /nfs/dbraw/zinc/43/42/57/524434257.db2.gz LULHCWDUVAFXJA-UHFFFAOYSA-N 1 0 287.407 3.112 20 70 CGIDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000159981391 232242476 /nfs/dbraw/zinc/24/24/76/232242476.db2.gz PYUXLTSCNVWTBE-NVXWUHKLSA-N 1 0 261.409 3.245 20 70 CGIDRO C[NH+](C)C1(CNCc2ccc(Cl)cc2F)CCCC1 ZINC000160880338 232247420 /nfs/dbraw/zinc/24/74/20/232247420.db2.gz URNJODVPOYQIEK-UHFFFAOYSA-N 1 0 284.806 3.443 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159808990 346169323 /nfs/dbraw/zinc/16/93/23/346169323.db2.gz CGJQWFFHLZNWEO-CQSZACIVSA-N 1 0 294.826 3.044 20 70 CGIDRO Cc1ccc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC000160564501 346171599 /nfs/dbraw/zinc/17/15/99/346171599.db2.gz WHVHOVAVVOXSCQ-HOCLYGCPSA-N 1 0 269.392 3.407 20 70 CGIDRO CC[C@H]1CCCCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160920810 346173152 /nfs/dbraw/zinc/17/31/52/346173152.db2.gz VGWZTFMAKRGYBP-INIZCTEOSA-N 1 0 295.471 3.223 20 70 CGIDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000217937499 346291564 /nfs/dbraw/zinc/29/15/64/346291564.db2.gz VVELMJUFCUENGZ-RHSMWYFYSA-N 1 0 286.419 3.271 20 70 CGIDRO C[C@](O)(C[NH2+][C@H]1CCc2ccccc21)c1ccsc1 ZINC000159932552 188447839 /nfs/dbraw/zinc/44/78/39/188447839.db2.gz GTBVZLJXFDFIKW-HOTGVXAUSA-N 1 0 273.401 3.233 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+]CC1CCSCC1)CC2 ZINC000159559524 188431929 /nfs/dbraw/zinc/43/19/29/188431929.db2.gz NJWAZKFBBNJQIK-INIZCTEOSA-N 1 0 291.460 3.285 20 70 CGIDRO C[NH2+][C@H]1CCN(C(=O)C[C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000160537880 188478958 /nfs/dbraw/zinc/47/89/58/188478958.db2.gz YSJMTDDVYQKWHO-YOEHRIQHSA-N 1 0 288.435 3.124 20 70 CGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C(C)C)CC2)cc1 ZINC000160980908 188501329 /nfs/dbraw/zinc/50/13/29/188501329.db2.gz MZMFAFGKMVTPID-OAHLLOKOSA-N 1 0 288.435 3.234 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@H](C(C)C)C1 ZINC000161213559 188515609 /nfs/dbraw/zinc/51/56/09/188515609.db2.gz ZGTPINZJQOUBGT-UONOGXRCSA-N 1 0 268.445 3.083 20 70 CGIDRO Cc1nc(CC[NH2+][C@@H](C)c2ccccn2)sc1C ZINC000159387896 372138197 /nfs/dbraw/zinc/13/81/97/372138197.db2.gz CCIAKGXZFZUJJO-NSHDSACASA-N 1 0 261.394 3.048 20 70 CGIDRO C[NH+](C)C[C@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159418425 372141415 /nfs/dbraw/zinc/14/14/15/372141415.db2.gz NVCNCBRGFOSVKT-OAHLLOKOSA-N 1 0 280.456 3.146 20 70 CGIDRO CC[C@H](C(=O)Nc1ccc(OC(C)(C)C)cc1)[NH+](C)C ZINC000159444423 372144004 /nfs/dbraw/zinc/14/40/04/372144004.db2.gz MEEROHNAKSBOIB-CQSZACIVSA-N 1 0 278.396 3.143 20 70 CGIDRO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[C@@H]1O ZINC000159456264 372146392 /nfs/dbraw/zinc/14/63/92/372146392.db2.gz DHFSJQIXIRMVNH-CJNGLKHVSA-N 1 0 261.409 3.187 20 70 CGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000159478006 372147506 /nfs/dbraw/zinc/14/75/06/372147506.db2.gz LGUMRMXDQZORHP-ZJUUUORDSA-N 1 0 261.287 3.079 20 70 CGIDRO CCc1ccc([C@H](CC)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159515265 372151085 /nfs/dbraw/zinc/15/10/85/372151085.db2.gz WKXSPXOAAUHKSS-KRWDZBQOSA-N 1 0 288.435 3.302 20 70 CGIDRO C[C@@H]([NH2+]CCO)c1ccc(-c2ccccc2F)s1 ZINC000159680406 372167626 /nfs/dbraw/zinc/16/76/26/372167626.db2.gz YJSLPHBEYSAEMK-SNVBAGLBSA-N 1 0 265.353 3.197 20 70 CGIDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CCO)cc2)c1 ZINC000159721464 372171630 /nfs/dbraw/zinc/17/16/30/372171630.db2.gz MAUXSYIYALTDIO-OAHLLOKOSA-N 1 0 285.387 3.217 20 70 CGIDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000159751743 372175287 /nfs/dbraw/zinc/17/52/87/372175287.db2.gz YABIXSGNFMXBEU-OCCSQVGLSA-N 1 0 287.325 3.298 20 70 CGIDRO Cc1ccccc1C1CC([NH2+]CC2(CO)CCCC2)C1 ZINC000160066293 372207945 /nfs/dbraw/zinc/20/79/45/372207945.db2.gz FYVVDXKGEYFQKR-UHFFFAOYSA-N 1 0 273.420 3.383 20 70 CGIDRO CC[C@]1(C)C[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160165821 372220909 /nfs/dbraw/zinc/22/09/09/372220909.db2.gz NBCCMSJCMOHLHE-SJLPKXTDSA-N 1 0 288.435 3.061 20 70 CGIDRO CC[C@H]([NH2+]CCOc1c(C)cccc1C)[C@@H]1CCOC1 ZINC000160277724 372233234 /nfs/dbraw/zinc/23/32/34/372233234.db2.gz MPUCYLAILQVNBC-CVEARBPZSA-N 1 0 277.408 3.087 20 70 CGIDRO c1oc2ccccc2c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000159815579 372182995 /nfs/dbraw/zinc/18/29/95/372182995.db2.gz GFCMXMKHYWDVES-UHFFFAOYSA-N 1 0 270.376 3.149 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCOCC2)C1(C)C ZINC000159807343 372183318 /nfs/dbraw/zinc/18/33/18/372183318.db2.gz JNNRRCRXVFXYGT-CWRNSKLLSA-N 1 0 283.456 3.375 20 70 CGIDRO c1coc([C@@H]2CCCCC[N@H+]2CCn2ccnc2)c1 ZINC000159836829 372184515 /nfs/dbraw/zinc/18/45/15/372184515.db2.gz QWYOGCGNXHHIQQ-AWEZNQCLSA-N 1 0 259.353 3.093 20 70 CGIDRO CC[C@@H]1C[N@H+](CCn2ccnc2)CC[C@@H]1c1ccccc1 ZINC000159865326 372188899 /nfs/dbraw/zinc/18/88/99/372188899.db2.gz FTOOSMOVMIVCDM-AEFFLSMTSA-N 1 0 283.419 3.399 20 70 CGIDRO COCCCCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159870371 372189023 /nfs/dbraw/zinc/18/90/23/372189023.db2.gz YXCMOCDZYYBKKA-UHFFFAOYSA-N 1 0 264.413 3.001 20 70 CGIDRO C[C@H]1CCC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159908302 372193310 /nfs/dbraw/zinc/19/33/10/372193310.db2.gz CGHIXZSOPQFFCR-YOEHRIQHSA-N 1 0 288.435 3.399 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000159933715 372195804 /nfs/dbraw/zinc/19/58/04/372195804.db2.gz JKPFUKNUCVAVFO-GOEBONIOSA-N 1 0 299.418 3.481 20 70 CGIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C)CCOC ZINC000160006197 372202867 /nfs/dbraw/zinc/20/28/67/372202867.db2.gz AAYJCTWXRBGYFY-GFCCVEGCSA-N 1 0 285.815 3.296 20 70 CGIDRO CCC(CC)(CC)CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000160045410 372206828 /nfs/dbraw/zinc/20/68/28/372206828.db2.gz HJPOEKPUMMYSBS-UHFFFAOYSA-N 1 0 297.487 3.186 20 70 CGIDRO CC(C)c1nccc(N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000160435631 372246025 /nfs/dbraw/zinc/24/60/25/372246025.db2.gz IJUPUHPRYCFCPM-HNNXBMFYSA-N 1 0 288.439 3.055 20 70 CGIDRO CCC[N@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC000160474707 372249920 /nfs/dbraw/zinc/24/99/20/372249920.db2.gz PAMNQROIPZLXBU-UHFFFAOYSA-N 1 0 257.381 3.141 20 70 CGIDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160497478 372251666 /nfs/dbraw/zinc/25/16/66/372251666.db2.gz ZPJJCWBFQAOJLL-CQSZACIVSA-N 1 0 261.413 3.206 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1coc2ccccc12 ZINC000161081848 372300727 /nfs/dbraw/zinc/30/07/27/372300727.db2.gz HJYPRNBVNGHDQT-HNNXBMFYSA-N 1 0 281.359 3.334 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccccc21 ZINC000160578100 372259229 /nfs/dbraw/zinc/25/92/29/372259229.db2.gz KECYJUHXSHVDIJ-BMFZPTHFSA-N 1 0 275.392 3.041 20 70 CGIDRO Cc1cc2cc([C@H](C)[NH2+]CC(C)(C)O)oc2cc1C ZINC000160599399 372261292 /nfs/dbraw/zinc/26/12/92/372261292.db2.gz GWSIENCUJZDHBU-LBPRGKRZSA-N 1 0 261.365 3.471 20 70 CGIDRO Cc1cccc([C@@H](C)NC(=O)C2([NH3+])CCCCC2)c1C ZINC000160835820 372281624 /nfs/dbraw/zinc/28/16/24/372281624.db2.gz CLGRFSIKAONUIA-CQSZACIVSA-N 1 0 274.408 3.142 20 70 CGIDRO c1cc2c(cc1[C@@H]([NH2+][C@@H]1CCSC1)C1CC1)OCCO2 ZINC000161123118 372302162 /nfs/dbraw/zinc/30/21/62/372302162.db2.gz JCVOGCJFXKLUSS-CJNGLKHVSA-N 1 0 291.416 3.004 20 70 CGIDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000161145304 372305370 /nfs/dbraw/zinc/30/53/70/372305370.db2.gz GOWSJMKZVHUXRM-UHFFFAOYSA-N 1 0 275.371 3.291 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@@H](C(C)C)C1 ZINC000161213887 372309559 /nfs/dbraw/zinc/30/95/59/372309559.db2.gz ZGTPINZJQOUBGT-KGLIPLIRSA-N 1 0 268.445 3.083 20 70 CGIDRO C[C@H](CCC(C)(C)C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000161230140 372311386 /nfs/dbraw/zinc/31/13/86/372311386.db2.gz DNJXFLRFAQHLOB-GFCCVEGCSA-N 1 0 262.397 3.090 20 70 CGIDRO CC[C@H](C)[C@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217535034 376174542 /nfs/dbraw/zinc/17/45/42/376174542.db2.gz YDPPUILLVGVSHU-ZOBUZTSGSA-N 1 0 288.435 3.014 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000217679582 376180045 /nfs/dbraw/zinc/18/00/45/376180045.db2.gz NBWGACAECLZZGL-RCBQFDQVSA-N 1 0 262.372 3.103 20 70 CGIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccnc1 ZINC000218075060 376183240 /nfs/dbraw/zinc/18/32/40/376183240.db2.gz VOFPRPURJAZXOW-GFCCVEGCSA-N 1 0 251.333 3.414 20 70 CGIDRO Cc1cnn(CC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)c1 ZINC000218268602 376187591 /nfs/dbraw/zinc/18/75/91/376187591.db2.gz ODGJQAWGQGIIKE-LLVKDONJSA-N 1 0 281.762 3.335 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000160094624 542153313 /nfs/dbraw/zinc/15/33/13/542153313.db2.gz AULGRGLOFXVWKW-AWEZNQCLSA-N 1 0 257.381 3.452 20 70 CGIDRO C[N@H+](C[C@@H](O)C1CC1)C1c2ccccc2-c2ccccc21 ZINC000160808708 542156500 /nfs/dbraw/zinc/15/65/00/542156500.db2.gz YKHHOTITQBAGSP-GOSISDBHSA-N 1 0 279.383 3.459 20 70 CGIDRO C[C@H](c1cccc(Br)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160774575 542156737 /nfs/dbraw/zinc/15/67/37/542156737.db2.gz RJRIDLRRQPUELS-YGRLFVJLSA-N 1 0 298.224 3.213 20 70 CGIDRO CC(C)Oc1ccccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000216987753 542286007 /nfs/dbraw/zinc/28/60/07/542286007.db2.gz NKJIDKUANYBCFU-HKUYNNGSSA-N 1 0 297.398 3.222 20 70 CGIDRO COc1ccc(CC[C@@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160080785 533505722 /nfs/dbraw/zinc/50/57/22/533505722.db2.gz YHRAAHGBMOLMDP-OAHLLOKOSA-N 1 0 291.435 3.159 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc(OC(C)C)c1 ZINC000217395015 392993896 /nfs/dbraw/zinc/99/38/96/392993896.db2.gz NDOGJNGJDSQRHF-HNNXBMFYSA-N 1 0 278.440 3.294 20 70 CGIDRO Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161479905 292010158 /nfs/dbraw/zinc/01/01/58/292010158.db2.gz DIHDOXMHYAYRCR-QGZVFWFLSA-N 1 0 288.435 3.201 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(OC(C)C)cc1 ZINC000217389453 270085216 /nfs/dbraw/zinc/08/52/16/270085216.db2.gz WMDUZPNULQCJFZ-HNNXBMFYSA-N 1 0 278.440 3.294 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)NCC1(CC(C)C)CCC1 ZINC000161230745 282069929 /nfs/dbraw/zinc/06/99/29/282069929.db2.gz DXEQAVXUQGQKRW-UHFFFAOYSA-N 1 0 268.445 3.084 20 70 CGIDRO COc1ccc(C)cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159640106 321838086 /nfs/dbraw/zinc/83/80/86/321838086.db2.gz SRYSPERWAHAZIN-UAGQMJEPSA-N 1 0 287.403 3.051 20 70 CGIDRO Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160569528 321853424 /nfs/dbraw/zinc/85/34/24/321853424.db2.gz VOALWFNMCUFDAN-UAGQMJEPSA-N 1 0 261.409 3.067 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000160616501 321854893 /nfs/dbraw/zinc/85/48/93/321854893.db2.gz BKWVWIVAEUTYKV-CYBMUJFWSA-N 1 0 259.349 3.480 20 70 CGIDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCOCC(C)C ZINC000160701736 321856209 /nfs/dbraw/zinc/85/62/09/321856209.db2.gz KCZMRBLMNQKVCF-ZDUSSCGKSA-N 1 0 281.444 3.270 20 70 CGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1C ZINC000160772219 321857603 /nfs/dbraw/zinc/85/76/03/321857603.db2.gz LAPZIIWLZBZDOU-HZPDHXFCSA-N 1 0 290.451 3.163 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C2CCOCC2)C1(CC)CC ZINC000161320068 321866106 /nfs/dbraw/zinc/86/61/06/321866106.db2.gz FEPRIGWIABDATH-CWRNSKLLSA-N 1 0 283.456 3.375 20 70 CGIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000216859579 329307607 /nfs/dbraw/zinc/30/76/07/329307607.db2.gz LVXQLQLYPLWLCS-PBHICJAKSA-N 1 0 292.467 3.431 20 70 CGIDRO CCCC[C@@H](CC)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161215809 521034416 /nfs/dbraw/zinc/03/44/16/521034416.db2.gz UNZGYYWYGIAOQX-QQFBHYJXSA-N 1 0 268.445 3.240 20 70 CGIDRO C[C@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876044 525404364 /nfs/dbraw/zinc/40/43/64/525404364.db2.gz LCEKSWFGMVROKQ-GJZGRUSLSA-N 1 0 272.392 3.451 20 70 CGIDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCc3ccccc3C2)O1 ZINC000160270490 529043786 /nfs/dbraw/zinc/04/37/86/529043786.db2.gz ACNDCFSSOGHNIU-HZPDHXFCSA-N 1 0 259.393 3.091 20 70 CGIDRO [NH3+]C1CCC(NC(=O)c2cc3ccc(F)cc3s2)CC1 ZINC000161124226 572337609 /nfs/dbraw/zinc/33/76/09/572337609.db2.gz ZSCQBZNMDOEOHN-UHFFFAOYSA-N 1 0 292.379 3.040 20 70 CGIDRO CC(C)c1ccc(C[N@H+](C)CCCCS(C)(=O)=O)cc1 ZINC000161147533 572883275 /nfs/dbraw/zinc/88/32/75/572883275.db2.gz BDRCVEPOPPRYTC-UHFFFAOYSA-N 1 0 297.464 3.067 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)cn1 ZINC000161317911 572883905 /nfs/dbraw/zinc/88/39/05/572883905.db2.gz BZVSFPHFIYNVTR-ZDUSSCGKSA-N 1 0 258.369 3.018 20 70 CGIDRO CC[C@@](C)(O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000160687208 529509453 /nfs/dbraw/zinc/50/94/53/529509453.db2.gz GRQQLXPVJATEBL-GOSISDBHSA-N 1 0 291.435 3.308 20 70 CGIDRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccc2c(c1)OCCO2 ZINC000159556888 346167749 /nfs/dbraw/zinc/16/77/49/346167749.db2.gz YGBSUAIOLFGNOK-UONOGXRCSA-N 1 0 293.432 3.394 20 70 CGIDRO O=C(CC/C=C/c1ccccc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000159487600 346168073 /nfs/dbraw/zinc/16/80/73/346168073.db2.gz FCUXPFYVHLLQLR-PYJQOMOHSA-N 1 0 298.430 3.081 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C1(C)C ZINC000217901650 346291795 /nfs/dbraw/zinc/29/17/95/346291795.db2.gz GODVSDLYNRIAQT-QWHCGFSZSA-N 1 0 269.335 3.258 20 70 CGIDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2cccnc2)cc1 ZINC000161415246 188526791 /nfs/dbraw/zinc/52/67/91/188526791.db2.gz ARMYPTJEPOGATI-AWEZNQCLSA-N 1 0 268.360 3.314 20 70 CGIDRO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161480045 188529845 /nfs/dbraw/zinc/52/98/45/188529845.db2.gz CVJXWBVQPOYOHK-RDJZCZTQSA-N 1 0 299.414 3.430 20 70 CGIDRO Cc1nccn1CCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783068 372180167 /nfs/dbraw/zinc/18/01/67/372180167.db2.gz BSMVIEBNYCTMIF-KRWDZBQOSA-N 1 0 269.392 3.071 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000159451899 372144023 /nfs/dbraw/zinc/14/40/23/372144023.db2.gz NXOHMMIVWODTET-KCQAQPDRSA-N 1 0 293.480 3.451 20 70 CGIDRO c1cnc2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2c1 ZINC000159478157 372148072 /nfs/dbraw/zinc/14/80/72/372148072.db2.gz YAPOJXIEQDOQEW-SZMVWBNQSA-N 1 0 294.398 3.282 20 70 CGIDRO Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCCC2=O)cc1C ZINC000159578653 372157264 /nfs/dbraw/zinc/15/72/64/372157264.db2.gz LSMOSXHQNNYTMD-INIZCTEOSA-N 1 0 288.435 3.275 20 70 CGIDRO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCSC2)cn1 ZINC000159640212 372164594 /nfs/dbraw/zinc/16/45/94/372164594.db2.gz DUUCOPYVURJWQW-DGCLKSJQSA-N 1 0 253.415 3.010 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@H](C)[NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000159686400 372168691 /nfs/dbraw/zinc/16/86/91/372168691.db2.gz FOTRFUYDDSBBKO-MKVSYHDVSA-N 1 0 288.435 3.326 20 70 CGIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000159695041 372169297 /nfs/dbraw/zinc/16/92/97/372169297.db2.gz VDQSLSZIXTUOHB-HOTGVXAUSA-N 1 0 276.424 3.182 20 70 CGIDRO CC[C@@H]([NH2+]CCC(C)(C)O)c1nc(C(F)(F)F)cs1 ZINC000159741841 372175151 /nfs/dbraw/zinc/17/51/51/372175151.db2.gz ALBGKCCOPSRQTK-MRVPVSSYSA-N 1 0 296.358 3.364 20 70 CGIDRO CC(C)[N@H+](Cc1cc(C(N)=O)cs1)C1CCCCC1 ZINC000159772069 372177541 /nfs/dbraw/zinc/17/75/41/372177541.db2.gz LMLDHLRHLGCWFT-UHFFFAOYSA-N 1 0 280.437 3.390 20 70 CGIDRO CN(CCCn1ccnc1)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000160067001 372208600 /nfs/dbraw/zinc/20/86/00/372208600.db2.gz JGTQPLDFPACBOK-HNNXBMFYSA-N 1 0 291.439 3.338 20 70 CGIDRO CCc1nc(C)c([C@H](C)NCC[N@@H+](C)[C@@H](C)CC)s1 ZINC000160063760 372208714 /nfs/dbraw/zinc/20/87/14/372208714.db2.gz BEJHYBTZCUTQLF-RYUDHWBXSA-N 1 0 283.485 3.395 20 70 CGIDRO Cc1cccc(C2(C(=O)NCC(C)(C)[NH3+])CCCCC2)c1 ZINC000160090836 372212148 /nfs/dbraw/zinc/21/21/48/372212148.db2.gz DVJSTTLFKIRYOM-UHFFFAOYSA-N 1 0 288.435 3.050 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000160118388 372214584 /nfs/dbraw/zinc/21/45/84/372214584.db2.gz WUJDHRVYFBXOND-KGLIPLIRSA-N 1 0 299.418 3.448 20 70 CGIDRO CC[C@H]([NH2+][C@@H](C)c1ccco1)c1c(C)nn(C)c1C ZINC000160226676 372227476 /nfs/dbraw/zinc/22/74/76/372227476.db2.gz KTIYWMZWVSGKIP-GWCFXTLKSA-N 1 0 261.369 3.432 20 70 CGIDRO CC(C)CCOc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160307834 372235531 /nfs/dbraw/zinc/23/55/31/372235531.db2.gz NRKGPHSAYZIGNO-HNNXBMFYSA-N 1 0 290.407 3.192 20 70 CGIDRO CCOc1cccc(C[N@H+](C)Cc2ccc(OC)cc2)n1 ZINC000159861302 372188508 /nfs/dbraw/zinc/18/85/08/372188508.db2.gz FHWSBNBLPDRGKT-UHFFFAOYSA-N 1 0 286.375 3.121 20 70 CGIDRO COc1cc(NC(=O)CC2(C[NH3+])CCCCC2)ccc1F ZINC000160360435 372241044 /nfs/dbraw/zinc/24/10/44/372241044.db2.gz DNNUSDHJQBJPEG-UHFFFAOYSA-N 1 0 294.370 3.072 20 70 CGIDRO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000160036497 372205045 /nfs/dbraw/zinc/20/50/45/372205045.db2.gz GBYKQMUPMINFLI-AWEZNQCLSA-N 1 0 292.389 3.429 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000160525024 372253126 /nfs/dbraw/zinc/25/31/26/372253126.db2.gz GZEMYMWINIGUCX-ZDUSSCGKSA-N 1 0 258.365 3.215 20 70 CGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533714 372255683 /nfs/dbraw/zinc/25/56/83/372255683.db2.gz VSDJBDBUBOBFBQ-RBZYPMLTSA-N 1 0 287.325 3.306 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC(F)F)cc2)CCO1 ZINC000160546077 372256164 /nfs/dbraw/zinc/25/61/64/372256164.db2.gz SZPNNLIVNCVQSQ-ZDUSSCGKSA-N 1 0 299.361 3.378 20 70 CGIDRO CCSCC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000160574903 372259834 /nfs/dbraw/zinc/25/98/34/372259834.db2.gz GLKJVXXTXRQWDY-UHFFFAOYSA-N 1 0 298.427 3.228 20 70 CGIDRO Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000160632856 372264771 /nfs/dbraw/zinc/26/47/71/372264771.db2.gz RPGIQZCPLOIIDQ-INIZCTEOSA-N 1 0 299.418 3.432 20 70 CGIDRO CC[C@@H]([NH2+]CCCCc1nc(C)cs1)c1cnn(C)c1 ZINC000160643514 372265304 /nfs/dbraw/zinc/26/53/04/372265304.db2.gz FTADXGYYKBWIHS-CQSZACIVSA-N 1 0 292.452 3.249 20 70 CGIDRO Cc1ccc(C)c([C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC000160708029 372269880 /nfs/dbraw/zinc/26/98/80/372269880.db2.gz VLNCECZCBDPQGM-QGZVFWFLSA-N 1 0 288.435 3.307 20 70 CGIDRO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000160762773 372273720 /nfs/dbraw/zinc/27/37/20/372273720.db2.gz WBBFIBXCEMNCEU-HOTGVXAUSA-N 1 0 288.435 3.001 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)c1ccoc1 ZINC000160806851 372277392 /nfs/dbraw/zinc/27/73/92/372277392.db2.gz BLEAEGFZVVNGGR-XJKSGUPXSA-N 1 0 284.359 3.126 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160869588 372283984 /nfs/dbraw/zinc/28/39/84/372283984.db2.gz FTWZWVQXPCCTMM-AWEZNQCLSA-N 1 0 293.773 3.380 20 70 CGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccs1 ZINC000161125474 372304472 /nfs/dbraw/zinc/30/44/72/372304472.db2.gz VHNUHZJNVAVXKT-LLVKDONJSA-N 1 0 275.373 3.370 20 70 CGIDRO CC[C@@H]([NH2+]CCCOc1c(C)cccc1C)[C@H]1CCOC1 ZINC000161237463 372310844 /nfs/dbraw/zinc/31/08/44/372310844.db2.gz XWXNVRIGADZVLK-DLBZAZTESA-N 1 0 291.435 3.477 20 70 CGIDRO CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](C)C[NH2+]C ZINC000161247313 372312830 /nfs/dbraw/zinc/31/28/30/372312830.db2.gz FHXLJQVYNDMKQC-RDJZCZTQSA-N 1 0 290.451 3.020 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2cncs2)c1 ZINC000161416064 372321669 /nfs/dbraw/zinc/32/16/69/372321669.db2.gz AUELWJVTXRMQGG-NSHDSACASA-N 1 0 292.404 3.054 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2cncs2)c1 ZINC000161416184 372321956 /nfs/dbraw/zinc/32/19/56/372321956.db2.gz AUELWJVTXRMQGG-LLVKDONJSA-N 1 0 292.404 3.054 20 70 CGIDRO OC[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000161420317 372324291 /nfs/dbraw/zinc/32/42/91/372324291.db2.gz BDIZDCBSMMMQSS-UXHICEINSA-N 1 0 295.426 3.373 20 70 CGIDRO CCOC(=O)N(C)C1CC[NH+](CCC2CCCC2)CC1 ZINC000160318986 321849979 /nfs/dbraw/zinc/84/99/79/321849979.db2.gz QPNNVKHJFZYZIB-UHFFFAOYSA-N 1 0 282.428 3.119 20 70 CGIDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000216875866 376168334 /nfs/dbraw/zinc/16/83/34/376168334.db2.gz SFTOUFHEBXJTMI-TZMCWYRMSA-N 1 0 259.349 3.341 20 70 CGIDRO Cc1nc(CC[NH2+]Cc2cccc3[nH]ccc32)cs1 ZINC000218098751 376184751 /nfs/dbraw/zinc/18/47/51/376184751.db2.gz AAAOZXPBTNWSJJ-UHFFFAOYSA-N 1 0 271.389 3.265 20 70 CGIDRO COc1cc(C)ccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130104 376184987 /nfs/dbraw/zinc/18/49/87/376184987.db2.gz JUXKBJODIHYYCZ-UAGQMJEPSA-N 1 0 288.435 3.281 20 70 CGIDRO COc1cc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000218230728 376187304 /nfs/dbraw/zinc/18/73/04/376187304.db2.gz IERJTQQBSFKHBI-MAZHCROVSA-N 1 0 292.398 3.112 20 70 CGIDRO CC(C)(CO)C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000160126601 542152523 /nfs/dbraw/zinc/15/25/23/542152523.db2.gz ULIZRFAKRAIKJY-OAHLLOKOSA-N 1 0 272.392 3.153 20 70 CGIDRO CCc1ccc([C@H](C)CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161244883 542157950 /nfs/dbraw/zinc/15/79/50/542157950.db2.gz KBKBTMAJQGNAIQ-COXVUDFISA-N 1 0 288.435 3.129 20 70 CGIDRO CC(=O)NC1CCC([NH2+]CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000161482911 392584852 /nfs/dbraw/zinc/58/48/52/392584852.db2.gz YTEFYUIYANPFJG-DFULUXCASA-N 1 0 280.456 3.240 20 70 CGIDRO c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572862 392997681 /nfs/dbraw/zinc/99/76/81/392997681.db2.gz VBGZPOZSATUDMU-AEFFLSMTSA-N 1 0 270.420 3.207 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCCCC2 ZINC000160100719 165475155 /nfs/dbraw/zinc/47/51/55/165475155.db2.gz RFFKCYZCHQYASM-JKSUJKDBSA-N 1 0 295.467 3.257 20 70 CGIDRO CC1(C)CC[C@@H](C[NH2+]Cc2cccc3cccnc32)O1 ZINC000160328010 165480996 /nfs/dbraw/zinc/48/09/96/165480996.db2.gz WUKUJCYCYRUFBN-HNNXBMFYSA-N 1 0 270.376 3.282 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)[C@@H](C)C1CCCCC1)CC2 ZINC000160441545 279143721 /nfs/dbraw/zinc/14/37/21/279143721.db2.gz BQENCKNXTBQGPR-DVOMOZLQSA-N 1 0 290.455 3.096 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCCCC2 ZINC000160101151 279919045 /nfs/dbraw/zinc/91/90/45/279919045.db2.gz RFFKCYZCHQYASM-CVEARBPZSA-N 1 0 295.467 3.257 20 70 CGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159503646 321835883 /nfs/dbraw/zinc/83/58/83/321835883.db2.gz GAVWSIFNDHVNJQ-MRXNPFEDSA-N 1 0 290.451 3.083 20 70 CGIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]([NH3+])C(C)C ZINC000159694733 321839050 /nfs/dbraw/zinc/83/90/50/321839050.db2.gz VDQSLSZIXTUOHB-JKSUJKDBSA-N 1 0 276.424 3.182 20 70 CGIDRO Cc1c(C[NH2+]CCc2ccc(C(C)(C)C)cc2)cnn1C ZINC000160006201 321845182 /nfs/dbraw/zinc/84/51/82/321845182.db2.gz REGXMYHKXCJVDT-UHFFFAOYSA-N 1 0 285.435 3.358 20 70 CGIDRO CCC(CC)CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000160564537 321853716 /nfs/dbraw/zinc/85/37/16/321853716.db2.gz DJINOISOIGNFFX-MRXNPFEDSA-N 1 0 295.471 3.083 20 70 CGIDRO C[C@H]([NH2+]Cc1ccc(Cn2ccccc2=O)cc1)C(C)(C)C ZINC000161074424 321861985 /nfs/dbraw/zinc/86/19/85/321861985.db2.gz QQUCIIDDXHUOEE-HNNXBMFYSA-N 1 0 298.430 3.421 20 70 CGIDRO OCC1(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CCCC1 ZINC000160104910 534344738 /nfs/dbraw/zinc/34/47/38/534344738.db2.gz UHOZYIOWBGBACK-MRXNPFEDSA-N 1 0 277.383 3.419 20 70 CGIDRO Cc1noc(C)c1C[N@@H+](CCc1nccs1)C(C)C ZINC000159838553 534352224 /nfs/dbraw/zinc/35/22/24/534352224.db2.gz YJVGFPYKNQCISS-UHFFFAOYSA-N 1 0 279.409 3.201 20 70 CGIDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1F ZINC000160927919 522717168 /nfs/dbraw/zinc/71/71/68/522717168.db2.gz OTYCPFVNTOXFEB-LSDHHAIUSA-N 1 0 296.361 3.015 20 70 CGIDRO CC[C@@H]([NH2+]CCCCc1nc(C)cs1)[C@H]1CCOC1 ZINC000160695527 522827528 /nfs/dbraw/zinc/82/75/28/522827528.db2.gz FEPDJTVHCHHRAS-UONOGXRCSA-N 1 0 282.453 3.179 20 70 CGIDRO Cc1ncc(C[NH2+][C@@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000160528317 534743818 /nfs/dbraw/zinc/74/38/18/534743818.db2.gz YWRNETGYBYIWNZ-OAHLLOKOSA-N 1 0 299.418 3.228 20 70 CGIDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447348 524038986 /nfs/dbraw/zinc/03/89/86/524038986.db2.gz DWQFSSQNMJAIFQ-UKRRQHHQSA-N 1 0 295.810 3.350 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)N(C)Cc1ccccc1 ZINC000160883739 524748546 /nfs/dbraw/zinc/74/85/46/524748546.db2.gz BHLILOHZNXTQLV-GJZGRUSLSA-N 1 0 260.425 3.285 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000160406371 525642372 /nfs/dbraw/zinc/64/23/72/525642372.db2.gz OXUFSHUUFPSHBI-LSDHHAIUSA-N 1 0 281.465 3.376 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]CC[S@@](=O)c2ccccc2)cc1 ZINC000160789386 525728771 /nfs/dbraw/zinc/72/87/71/525728771.db2.gz GMLBGOZYYAODNF-QRWLVFNGSA-N 1 0 287.428 3.453 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000160361021 528652287 /nfs/dbraw/zinc/65/22/87/528652287.db2.gz RNKUWDJHQZQBRR-BPUTZDHNSA-N 1 0 280.456 3.238 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000160136776 529689827 /nfs/dbraw/zinc/68/98/27/529689827.db2.gz CNUONRHGRRMYSV-KBPBESRZSA-N 1 0 294.439 3.085 20 70 CGIDRO C[N@H+](CCNCc1ccc(Cl)cc1F)C1CCCC1 ZINC000160822142 529917478 /nfs/dbraw/zinc/91/74/78/529917478.db2.gz PTBQRANIXMZNCE-UHFFFAOYSA-N 1 0 284.806 3.443 20 70 CGIDRO CC(C)Cc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159582113 346167696 /nfs/dbraw/zinc/16/76/96/346167696.db2.gz WBBCNWOGKCZEED-STQMWFEESA-N 1 0 263.385 3.033 20 70 CGIDRO CC(=O)NC1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000159871635 346169123 /nfs/dbraw/zinc/16/91/23/346169123.db2.gz WIZISGRWUKQKGB-UHFFFAOYSA-N 1 0 294.483 3.439 20 70 CGIDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160489290 346170835 /nfs/dbraw/zinc/17/08/35/346170835.db2.gz DGRDXXGYDLLMOM-OTRWWLKZSA-N 1 0 261.409 3.319 20 70 CGIDRO CC[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000160931581 346173662 /nfs/dbraw/zinc/17/36/62/346173662.db2.gz GJDTVMSJFDOIQE-HOTGVXAUSA-N 1 0 281.371 3.062 20 70 CGIDRO Fc1ccc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606517 188434215 /nfs/dbraw/zinc/43/42/15/188434215.db2.gz HOAVZTVNKSFAQD-YUELXQCFSA-N 1 0 279.330 3.012 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000161415425 188526780 /nfs/dbraw/zinc/52/67/80/188526780.db2.gz TWWAXJLJVDUFDO-ZBFHGGJFSA-N 1 0 274.408 3.105 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@H+]2CCCOC(C)C)n1 ZINC000159779780 372179886 /nfs/dbraw/zinc/17/98/86/372179886.db2.gz GJUPFSHPUVWLCB-MRXNPFEDSA-N 1 0 262.397 3.342 20 70 CGIDRO CCOc1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000159388738 372137208 /nfs/dbraw/zinc/13/72/08/372137208.db2.gz WKOUFPHJSPUCGF-LBPRGKRZSA-N 1 0 285.391 3.343 20 70 CGIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159551048 372153982 /nfs/dbraw/zinc/15/39/82/372153982.db2.gz ZRBVJNHBLCXATQ-HNNXBMFYSA-N 1 0 294.483 3.439 20 70 CGIDRO C[N@H+](CCc1c(F)cccc1Cl)C[C@H]1CCC[C@@H]1O ZINC000159590667 372158971 /nfs/dbraw/zinc/15/89/71/372158971.db2.gz NAMGFTUIAMHPBJ-ABAIWWIYSA-N 1 0 285.790 3.114 20 70 CGIDRO CC[C@H]([NH2+]CCOc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000159640739 372164474 /nfs/dbraw/zinc/16/44/74/372164474.db2.gz ICGRTQACGUZEDM-WFASDCNBSA-N 1 0 283.799 3.124 20 70 CGIDRO CN(Cc1ccc2ccccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159759137 372176733 /nfs/dbraw/zinc/17/67/33/372176733.db2.gz DDINKPDVGBARGP-QGZVFWFLSA-N 1 0 254.377 3.009 20 70 CGIDRO CC1(C)CCC(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160083863 372210180 /nfs/dbraw/zinc/21/01/80/372210180.db2.gz MILZXVYURLWPKM-HNNXBMFYSA-N 1 0 292.467 3.336 20 70 CGIDRO CC[C@@]1(C)C[C@@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160165960 372219802 /nfs/dbraw/zinc/21/98/02/372219802.db2.gz NBCCMSJCMOHLHE-AEFFLSMTSA-N 1 0 288.435 3.061 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000159946163 372196298 /nfs/dbraw/zinc/19/62/98/372196298.db2.gz CBCAGXTXMOBTMI-UMVBOHGHSA-N 1 0 293.407 3.170 20 70 CGIDRO CC(C)CC[C@H](C)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160044346 372206607 /nfs/dbraw/zinc/20/66/07/372206607.db2.gz VZNINDIATOILJZ-JSGCOSHPSA-N 1 0 255.427 3.370 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCc2ccccc21 ZINC000161005968 372294039 /nfs/dbraw/zinc/29/40/39/372294039.db2.gz NCABOFDQVJZGCC-YOEHRIQHSA-N 1 0 281.403 3.117 20 70 CGIDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cncs1 ZINC000160399934 372244720 /nfs/dbraw/zinc/24/47/20/372244720.db2.gz DFBNFTWJTUHQSE-JSGCOSHPSA-N 1 0 281.469 3.304 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2[nH]ccc2c1 ZINC000160422331 372245792 /nfs/dbraw/zinc/24/57/92/372245792.db2.gz IEDWPNDTUWYAAH-MRXNPFEDSA-N 1 0 299.418 3.018 20 70 CGIDRO FC(F)(F)c1cccc(OCC[NH2+][C@@H]2CCSC2)c1 ZINC000160492530 372251341 /nfs/dbraw/zinc/25/13/41/372251341.db2.gz DOKRADRJXCFDFE-LLVKDONJSA-N 1 0 291.338 3.179 20 70 CGIDRO CC(=O)Nc1ccccc1C[NH2+]CC1(C(C)C)CC1 ZINC000160541789 372255996 /nfs/dbraw/zinc/25/59/96/372255996.db2.gz LOMXLAJGKJHBHL-UHFFFAOYSA-N 1 0 260.381 3.171 20 70 CGIDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCOC(C)(C)C2)o1 ZINC000160647039 372264693 /nfs/dbraw/zinc/26/46/93/372264693.db2.gz VPCJSXQAFJSQDD-ZDUSSCGKSA-N 1 0 289.379 3.025 20 70 CGIDRO CCCCCN(Cc1nncn1C)Cc1ccc(F)cc1 ZINC000160762869 372273203 /nfs/dbraw/zinc/27/32/03/372273203.db2.gz HGOKZLKFDIZMOW-UHFFFAOYSA-N 1 0 290.386 3.147 20 70 CGIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160817414 372279287 /nfs/dbraw/zinc/27/92/87/372279287.db2.gz DIMDMRUWEPYQRJ-OAHLLOKOSA-N 1 0 294.483 3.393 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000160838415 372281858 /nfs/dbraw/zinc/28/18/58/372281858.db2.gz WKCSIBLVRXHVTJ-QGZVFWFLSA-N 1 0 277.408 3.380 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862018 372284228 /nfs/dbraw/zinc/28/42/28/372284228.db2.gz DRPAJBUKHALZNH-KBPBESRZSA-N 1 0 289.448 3.314 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(C(F)F)c1 ZINC000161207566 372309350 /nfs/dbraw/zinc/30/93/50/372309350.db2.gz JWXWOFDKRQBWDF-UHFFFAOYSA-N 1 0 270.323 3.328 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1(CC)CC ZINC000161302449 372315667 /nfs/dbraw/zinc/31/56/67/372315667.db2.gz RKPDDOUQKJGONY-AEGPPILISA-N 1 0 279.428 3.055 20 70 CGIDRO Cc1cc(N[C@H](CO)CC(C)(C)C)nc(C(C)C)n1 ZINC000161430119 372323073 /nfs/dbraw/zinc/32/30/73/372323073.db2.gz CZXGJFRQFZOJGG-LBPRGKRZSA-N 1 0 265.401 3.117 20 70 CGIDRO CC[C@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000161479981 372327259 /nfs/dbraw/zinc/32/72/59/372327259.db2.gz VNQCNNNUMDJNMV-SKDRFNHKSA-N 1 0 259.752 3.291 20 70 CGIDRO CSC[C@](C)(O)C[NH2+]Cc1ccc2ccccc2c1 ZINC000217847555 376179452 /nfs/dbraw/zinc/17/94/52/376179452.db2.gz JSVQKDWKZOYLFG-MRXNPFEDSA-N 1 0 275.417 3.043 20 70 CGIDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218129288 376184964 /nfs/dbraw/zinc/18/49/64/376184964.db2.gz GRDZHIMHAJTXTR-IRXDYDNUSA-N 1 0 258.409 3.020 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cscn1 ZINC000218266549 376187453 /nfs/dbraw/zinc/18/74/53/376187453.db2.gz WWISMQYEQSGLAH-SNVBAGLBSA-N 1 0 299.440 3.097 20 70 CGIDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159435653 542149233 /nfs/dbraw/zinc/14/92/33/542149233.db2.gz YVDCCJKIBQXXMM-JKSUJKDBSA-N 1 0 270.376 3.282 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCc2ccc(F)cc21 ZINC000160112072 542152789 /nfs/dbraw/zinc/15/27/89/542152789.db2.gz FERMXAPMNNCQQN-MLGOLLRUSA-N 1 0 264.388 3.133 20 70 CGIDRO CCn1nccc1C[NH2+][C@H](c1ccc(OC)cc1)C(C)C ZINC000159907542 542151507 /nfs/dbraw/zinc/15/15/07/542151507.db2.gz RVOPVWMDPDCIHC-KRWDZBQOSA-N 1 0 287.407 3.399 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000161043531 542157496 /nfs/dbraw/zinc/15/74/96/542157496.db2.gz FCMYFEHSUUOOIN-BBRMVZONSA-N 1 0 292.398 3.123 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](CC(C)C)c1ccccn1 ZINC000160064799 392580582 /nfs/dbraw/zinc/58/05/82/392580582.db2.gz YVKNTNYZBIPXCX-RDJZCZTQSA-N 1 0 277.456 3.489 20 70 CGIDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC2CCCC2)C[C@@H](C)O1 ZINC000159637739 392580634 /nfs/dbraw/zinc/58/06/34/392580634.db2.gz FKKDDIHVPQFLIU-NUJGCVRESA-N 1 0 294.483 3.140 20 70 CGIDRO CCC(CC)CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160549504 392582268 /nfs/dbraw/zinc/58/22/68/392582268.db2.gz PVHJGJCTBSASDG-INIZCTEOSA-N 1 0 295.471 3.083 20 70 CGIDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(OC)cc1 ZINC000217659843 392995000 /nfs/dbraw/zinc/99/50/00/392995000.db2.gz CULWOIYAUWPDEH-BZSNNMDCSA-N 1 0 288.435 3.363 20 70 CGIDRO CC1CC[NH+](CCNc2cc(Cl)nc(C3CC3)n2)CC1 ZINC000217972863 392996317 /nfs/dbraw/zinc/99/63/17/392996317.db2.gz QMOREIIWILRHIE-UHFFFAOYSA-N 1 0 294.830 3.151 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000217637929 287067807 /nfs/dbraw/zinc/06/78/07/287067807.db2.gz UJUWNYJPDNEJPZ-NFAWXSAZSA-N 1 0 295.448 3.319 20 70 CGIDRO C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217727209 270085210 /nfs/dbraw/zinc/08/52/10/270085210.db2.gz FTISYVBWNJAWQR-UKRRQHHQSA-N 1 0 275.392 3.206 20 70 CGIDRO CCC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200412 270085358 /nfs/dbraw/zinc/08/53/58/270085358.db2.gz JEMCQWUWHDNCMA-GOEBONIOSA-N 1 0 280.456 3.146 20 70 CGIDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc2c1OCO2 ZINC000218379471 270085584 /nfs/dbraw/zinc/08/55/84/270085584.db2.gz RHGGXJFATZRDEY-MBNYWOFBSA-N 1 0 291.391 3.338 20 70 CGIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159693953 302125103 /nfs/dbraw/zinc/12/51/03/302125103.db2.gz WXYLECHYZVPIEA-DOTOQJQBSA-N 1 0 288.435 3.198 20 70 CGIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159385719 321834472 /nfs/dbraw/zinc/83/44/72/321834472.db2.gz QFTKZPVZQZNBML-MSOLQXFVSA-N 1 0 293.451 3.021 20 70 CGIDRO OC[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000161420446 321866995 /nfs/dbraw/zinc/86/69/95/321866995.db2.gz BDIZDCBSMMMQSS-WOJBJXKFSA-N 1 0 295.426 3.373 20 70 CGIDRO CC[C@H]([NH2+]CCCCC(=O)OC)c1ccc(F)cc1 ZINC000160832674 500606080 /nfs/dbraw/zinc/60/60/80/500606080.db2.gz TURNVEOILSBVNE-AWEZNQCLSA-N 1 0 267.344 3.210 20 70 CGIDRO COc1ccccc1CC[NH2+]Cc1cc(F)cc(F)c1 ZINC000159586196 534046288 /nfs/dbraw/zinc/04/62/88/534046288.db2.gz AMSGEKDOQHUZOW-UHFFFAOYSA-N 1 0 277.314 3.306 20 70 CGIDRO CCC[N@@H+]1CCCN(C(=O)c2cc(Cl)ccc2F)CC1 ZINC000160361388 519850963 /nfs/dbraw/zinc/85/09/63/519850963.db2.gz YRVKHQIPJNQVPQ-UHFFFAOYSA-N 1 0 298.789 3.037 20 70 CGIDRO C[C@@H](Nc1nc(C(C)(C)C)ns1)C(C)(C)C[NH+](C)C ZINC000159635801 525726325 /nfs/dbraw/zinc/72/63/25/525726325.db2.gz PREBWVITUDLKNO-SNVBAGLBSA-N 1 0 284.473 3.224 20 70 CGIDRO c1oc2ccccc2c1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000161065895 526627960 /nfs/dbraw/zinc/62/79/60/526627960.db2.gz IIOZUQOVNRVXIE-UHFFFAOYSA-N 1 0 281.311 3.451 20 70 CGIDRO CC(C)(C)C[C@@H](CO)Nc1cc[nH+]c2ccccc12 ZINC000161466513 527692454 /nfs/dbraw/zinc/69/24/54/527692454.db2.gz BIUGXSWWYHUZPV-LBPRGKRZSA-N 1 0 258.365 3.444 20 70 CGIDRO CC1(C)Cc2cccc(C[NH2+][C@H]3CCOC(C)(C)C3)c2O1 ZINC000160500791 527776888 /nfs/dbraw/zinc/77/68/88/527776888.db2.gz CCBRFXVYAFUQIH-HNNXBMFYSA-N 1 0 289.419 3.447 20 70 CGIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000159824768 527874920 /nfs/dbraw/zinc/87/49/20/527874920.db2.gz TUDAGEOOXDEBMR-ZNMIVQPWSA-N 1 0 275.392 3.377 20 70 CGIDRO Cc1c2cccc(C)c2oc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161063554 572337663 /nfs/dbraw/zinc/33/76/63/572337663.db2.gz MSWIBFBJDRVHHY-OLZOCXBDSA-N 1 0 286.375 3.049 20 70 CGIDRO Cc1cccc(CC[C@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160122982 232242853 /nfs/dbraw/zinc/24/28/53/232242853.db2.gz CVHCLUPRPLEOMP-INIZCTEOSA-N 1 0 275.436 3.458 20 70 CGIDRO CCOCCC[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000159932837 346169237 /nfs/dbraw/zinc/16/92/37/346169237.db2.gz VRRXECZAYPQMRS-UHFFFAOYSA-N 1 0 298.224 3.454 20 70 CGIDRO COc1ccc(CNc2cc[nH+]c(C)c2)cc1OC ZINC000160912599 188498232 /nfs/dbraw/zinc/49/82/32/188498232.db2.gz MOPBKIAHXSTPKE-UHFFFAOYSA-N 1 0 258.321 3.019 20 70 CGIDRO CCN(CC[NH2+][C@H](C)c1ccco1)C(=O)OC(C)(C)C ZINC000159485404 372148639 /nfs/dbraw/zinc/14/86/39/372148639.db2.gz HBDJSFAKFJEYLR-GFCCVEGCSA-N 1 0 282.384 3.187 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1coc2ccccc12)c1ccco1 ZINC000159795568 372181826 /nfs/dbraw/zinc/18/18/26/372181826.db2.gz ZDGCYPHWHXKKRL-OAHLLOKOSA-N 1 0 284.359 3.418 20 70 CGIDRO OCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000159709621 372172410 /nfs/dbraw/zinc/17/24/10/372172410.db2.gz QLVYREVPDVNWIF-INIZCTEOSA-N 1 0 275.779 3.206 20 70 CGIDRO CC(C)(C)[C@H](CC1CCCCC1)NC(=O)CCC[NH3+] ZINC000160073880 372208251 /nfs/dbraw/zinc/20/82/51/372208251.db2.gz ZNMHERXUQYOKLS-AWEZNQCLSA-N 1 0 268.445 3.227 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccnc1Cl ZINC000160084487 372210751 /nfs/dbraw/zinc/21/07/51/372210751.db2.gz OOJJWFFSVGMKGE-RYUDHWBXSA-N 1 0 269.820 3.116 20 70 CGIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1cnc2ccsc2c1 ZINC000160078484 372210859 /nfs/dbraw/zinc/21/08/59/372210859.db2.gz PGWUTIAHLNIPCC-LBPRGKRZSA-N 1 0 290.432 3.500 20 70 CGIDRO CCc1ccc([C@@H](C)NCC[N@@H+](C)[C@@H](C)CC)o1 ZINC000160151854 372217818 /nfs/dbraw/zinc/21/78/18/372217818.db2.gz BFPGGAYQOHXYJC-QWHCGFSZSA-N 1 0 252.402 3.223 20 70 CGIDRO CCC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160185435 372221931 /nfs/dbraw/zinc/22/19/31/372221931.db2.gz UWYSVYIDRQKBMT-GDBMZVCRSA-N 1 0 297.464 3.240 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000160279576 372234267 /nfs/dbraw/zinc/23/42/67/372234267.db2.gz VPOFZSNYURWSEA-JQWIXIFHSA-N 1 0 285.478 3.001 20 70 CGIDRO Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159913348 372192987 /nfs/dbraw/zinc/19/29/87/372192987.db2.gz WJYFXUMTEXSULR-SJORKVTESA-N 1 0 286.419 3.048 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2ccccc21 ZINC000159927634 372194105 /nfs/dbraw/zinc/19/41/05/372194105.db2.gz NOOMFIRROKXLNW-KGLIPLIRSA-N 1 0 270.376 3.381 20 70 CGIDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000159951655 372197622 /nfs/dbraw/zinc/19/76/22/372197622.db2.gz ZLNOQLNXFQLCRW-HIFRSBDPSA-N 1 0 277.408 3.173 20 70 CGIDRO CCCC[N@H+](C)CCNC(=O)CC/C=C/c1ccccc1 ZINC000159948839 372197673 /nfs/dbraw/zinc/19/76/73/372197673.db2.gz PNJGPZZWZOCCAN-XYOKQWHBSA-N 1 0 288.435 3.328 20 70 CGIDRO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(F)cc1 ZINC000159982085 372201638 /nfs/dbraw/zinc/20/16/38/372201638.db2.gz SNGWEZVIXUDTMB-HNNXBMFYSA-N 1 0 280.387 3.029 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000160011752 372203548 /nfs/dbraw/zinc/20/35/48/372203548.db2.gz OQMSDBNEAOQKSZ-STQMWFEESA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@H](CNCc1cc(F)cc(Cl)c1)C[NH+]1CCCC1 ZINC000160935157 372289385 /nfs/dbraw/zinc/28/93/85/372289385.db2.gz PKHYUGFEQOCRFF-GFCCVEGCSA-N 1 0 284.806 3.301 20 70 CGIDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160988614 372292075 /nfs/dbraw/zinc/29/20/75/372292075.db2.gz PDMJOGAOQKUYLA-UFBFGSQYSA-N 1 0 289.206 3.154 20 70 CGIDRO FC(F)(F)c1ccc(OCC[NH2+][C@H]2CCSC2)cc1 ZINC000160505674 372254102 /nfs/dbraw/zinc/25/41/02/372254102.db2.gz KNFHFLGRBBMXBL-NSHDSACASA-N 1 0 291.338 3.179 20 70 CGIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000160604829 372261543 /nfs/dbraw/zinc/26/15/43/372261543.db2.gz PUNHSQUMXIOFAK-JTQLQIEISA-N 1 0 273.323 3.018 20 70 CGIDRO C[C@H](NC(=O)c1ccc(C[NH3+])cc1)[C@@H](C)c1ccccc1 ZINC000160891894 372285681 /nfs/dbraw/zinc/28/56/81/372285681.db2.gz DOSNZMNVYZZPQH-KGLIPLIRSA-N 1 0 282.387 3.067 20 70 CGIDRO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(F)cc2)cc1 ZINC000161145749 372305688 /nfs/dbraw/zinc/30/56/88/372305688.db2.gz AZRKQOHHWOZCPO-UHFFFAOYSA-N 1 0 286.350 3.416 20 70 CGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CCCC1 ZINC000161147032 372305997 /nfs/dbraw/zinc/30/59/97/372305997.db2.gz IRNBQRHDCQRUHJ-GFCCVEGCSA-N 1 0 261.365 3.126 20 70 CGIDRO Cc1cc(C)n2c(CN(C)Cc3ccc(F)cc3)cnc2n1 ZINC000161146823 372306329 /nfs/dbraw/zinc/30/63/29/372306329.db2.gz GQKAHZQUDJLLPB-UHFFFAOYSA-N 1 0 298.365 3.117 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000161294904 372314753 /nfs/dbraw/zinc/31/47/53/372314753.db2.gz FXUINKBGIIXIHI-LWWSYDQCSA-N 1 0 294.826 3.009 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000161269053 372314863 /nfs/dbraw/zinc/31/48/63/372314863.db2.gz FWMDAZDAAJMDJR-WMLDXEAASA-N 1 0 288.435 3.217 20 70 CGIDRO CCOC[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000161378279 372320423 /nfs/dbraw/zinc/32/04/23/372320423.db2.gz AAJPCVMATXGNCY-RDJZCZTQSA-N 1 0 279.424 3.069 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccs1 ZINC000161448190 372324865 /nfs/dbraw/zinc/32/48/65/372324865.db2.gz RZLILCFDWMACQZ-GXTWGEPZSA-N 1 0 261.390 3.175 20 70 CGIDRO Cc1ccsc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161482500 372329601 /nfs/dbraw/zinc/32/96/01/372329601.db2.gz YQQBIYXUFMRHJK-DZGCQCFKSA-N 1 0 275.417 3.483 20 70 CGIDRO CC(C)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000217022083 376171342 /nfs/dbraw/zinc/17/13/42/376171342.db2.gz SLRSPJPVBCOFMP-UHFFFAOYSA-N 1 0 269.410 3.449 20 70 CGIDRO CC(C)Oc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218117126 376185303 /nfs/dbraw/zinc/18/53/03/376185303.db2.gz QVMRBZNTWHHGBZ-ROUUACIJSA-N 1 0 288.435 3.190 20 70 CGIDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159436037 542149450 /nfs/dbraw/zinc/14/94/50/542149450.db2.gz YVDCCJKIBQXXMM-CVEARBPZSA-N 1 0 270.376 3.282 20 70 CGIDRO Cc1ccccc1[C@@H](NC(=O)[C@H](C)[NH3+])C1CCC(C)CC1 ZINC000159685833 542150436 /nfs/dbraw/zinc/15/04/36/542150436.db2.gz QGYNQURWIBDXHI-RZUWBANKSA-N 1 0 288.435 3.326 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)Cc1ccccc1C ZINC000160099167 542152670 /nfs/dbraw/zinc/15/26/70/542152670.db2.gz HXTQDMUREBMTOO-OAHLLOKOSA-N 1 0 271.408 3.322 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000160022789 542153378 /nfs/dbraw/zinc/15/33/78/542153378.db2.gz MDIYJDZJZWUKHR-AWEZNQCLSA-N 1 0 287.407 3.461 20 70 CGIDRO CCC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161267294 542158014 /nfs/dbraw/zinc/15/80/14/542158014.db2.gz NSQVCJOOVTUOOU-OWCLPIDISA-N 1 0 280.456 3.369 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000161043134 542157482 /nfs/dbraw/zinc/15/74/82/542157482.db2.gz FCMYFEHSUUOOIN-CZUORRHYSA-N 1 0 292.398 3.123 20 70 CGIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(OC(F)F)cc1 ZINC000160079787 533359744 /nfs/dbraw/zinc/35/97/44/533359744.db2.gz HYEOKBJGORYJGV-GFCCVEGCSA-N 1 0 299.361 3.491 20 70 CGIDRO C[C@H]([NH3+])C(=O)Nc1cc(C2CCC(C(C)(C)C)CC2)[nH]n1 ZINC000161068829 397658024 /nfs/dbraw/zinc/65/80/24/397658024.db2.gz BIPFJSXBZMLSSY-UNXYVOJBSA-N 1 0 292.427 3.015 20 70 CGIDRO C[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1(C)CC1 ZINC000160026518 165470745 /nfs/dbraw/zinc/47/07/45/165470745.db2.gz YDDHBXVSNNGOOJ-GFCCVEGCSA-N 1 0 292.389 3.429 20 70 CGIDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)cc2c1OCO2 ZINC000218379640 270085475 /nfs/dbraw/zinc/08/54/75/270085475.db2.gz RHGGXJFATZRDEY-SGMGOOAPSA-N 1 0 291.391 3.338 20 70 CGIDRO COC[C@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293301 274050852 /nfs/dbraw/zinc/05/08/52/274050852.db2.gz YIKFNCQHBLIJKL-KBPBESRZSA-N 1 0 281.783 3.178 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000161172033 276364228 /nfs/dbraw/zinc/36/42/28/276364228.db2.gz WXMHBYPVRRBNJZ-CRAIPNDOSA-N 1 0 288.435 3.147 20 70 CGIDRO [NH3+]CCC(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000160982044 295224977 /nfs/dbraw/zinc/22/49/77/295224977.db2.gz VBJKNBZLTUWLNG-AWEZNQCLSA-N 1 0 280.799 3.133 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCSC1)CCCO2 ZINC000159531530 295272560 /nfs/dbraw/zinc/27/25/60/295272560.db2.gz VGDPNMCNYTXHBR-WFASDCNBSA-N 1 0 293.432 3.394 20 70 CGIDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159562198 321836674 /nfs/dbraw/zinc/83/66/74/321836674.db2.gz JZALNQYAUUNECA-ZACQAIPSSA-N 1 0 271.404 3.351 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869834 321842524 /nfs/dbraw/zinc/84/25/24/321842524.db2.gz HPLJIANFRVANDR-ZIAGYGMSSA-N 1 0 293.374 3.074 20 70 CGIDRO CC[C@H](C[NH2+][C@H](C)C1CCOCC1)Oc1ccccc1F ZINC000160341484 321850390 /nfs/dbraw/zinc/85/03/90/321850390.db2.gz MKOUXRHNUAAZLC-UKRRQHHQSA-N 1 0 295.398 3.388 20 70 CGIDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CC2 ZINC000160584428 321854079 /nfs/dbraw/zinc/85/40/79/321854079.db2.gz FGVIPIKAZAHIBE-PVAVHDDUSA-N 1 0 259.393 3.123 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CC[NH2+]C(C)C)C1 ZINC000161289996 321866103 /nfs/dbraw/zinc/86/61/03/321866103.db2.gz PXTLFUZGHCQTJU-JKSUJKDBSA-N 1 0 288.435 3.088 20 70 CGIDRO C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160887399 533821525 /nfs/dbraw/zinc/82/15/25/533821525.db2.gz SSZVSMOFDOHXKW-LBPRGKRZSA-N 1 0 284.806 3.443 20 70 CGIDRO OCC1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CCCC1 ZINC000160112441 534346412 /nfs/dbraw/zinc/34/64/12/534346412.db2.gz FUVIGRVHLZEIJQ-UHFFFAOYSA-N 1 0 277.383 3.214 20 70 CGIDRO COC[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000160749633 522626670 /nfs/dbraw/zinc/62/66/70/522626670.db2.gz QTWNCBJVPZUDCP-AWEZNQCLSA-N 1 0 287.407 3.120 20 70 CGIDRO C[N@H+](CC1CC1)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388394 522633499 /nfs/dbraw/zinc/63/34/99/522633499.db2.gz VQJRVEMHSYMNIN-OAHLLOKOSA-N 1 0 292.810 3.177 20 70 CGIDRO COC[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C(C)C ZINC000160623277 522736493 /nfs/dbraw/zinc/73/64/93/522736493.db2.gz CLSRVWWGEKOYCZ-AWEZNQCLSA-N 1 0 296.480 3.215 20 70 CGIDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1OC ZINC000160598627 522817423 /nfs/dbraw/zinc/81/74/23/522817423.db2.gz SEFWVFFLPZWYGP-GFCCVEGCSA-N 1 0 271.788 3.160 20 70 CGIDRO COc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cn1 ZINC000160823598 524072909 /nfs/dbraw/zinc/07/29/09/524072909.db2.gz VQXFPOXFMAZOGL-UHFFFAOYSA-N 1 0 280.730 3.173 20 70 CGIDRO COc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016437 525335810 /nfs/dbraw/zinc/33/58/10/525335810.db2.gz YQRBXJWLMRNFDO-IHRRRGAJSA-N 1 0 294.414 3.358 20 70 CGIDRO C[C@@H]([NH2+]Cc1noc(-c2ccsc2)n1)C(C)(C)C ZINC000160882005 525566933 /nfs/dbraw/zinc/56/69/33/525566933.db2.gz ODOPFFZDLZMQAJ-SECBINFHSA-N 1 0 265.382 3.322 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131584 525638135 /nfs/dbraw/zinc/63/81/35/525638135.db2.gz DBSLORBFQDQLEA-BNOWGMLFSA-N 1 0 282.378 3.488 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1cccc(C)c1)C1CC1 ZINC000160394224 525642218 /nfs/dbraw/zinc/64/22/18/525642218.db2.gz VMADDRGWTZAAHE-IAGOWNOFSA-N 1 0 293.476 3.020 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000160367242 525700655 /nfs/dbraw/zinc/70/06/55/525700655.db2.gz LVKNOJHVTZAOLE-DYVFJYSZSA-N 1 0 293.476 3.330 20 70 CGIDRO OC[C@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000161103281 527609377 /nfs/dbraw/zinc/60/93/77/527609377.db2.gz KNMGKSLEFLCJFL-INIZCTEOSA-N 1 0 267.328 3.256 20 70 CGIDRO Cc1c2cccc(C)c2oc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161063314 572337804 /nfs/dbraw/zinc/33/78/04/572337804.db2.gz MSWIBFBJDRVHHY-STQMWFEESA-N 1 0 286.375 3.049 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000160408433 282090126 /nfs/dbraw/zinc/09/01/26/282090126.db2.gz DSDYUBKSXXZUMG-OAHLLOKOSA-N 1 0 295.390 3.093 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000160092702 529689902 /nfs/dbraw/zinc/68/99/02/529689902.db2.gz YYMGHTFTTKIXJO-GJZGRUSLSA-N 1 0 278.440 3.385 20 70 CGIDRO C[C@H](C1CC1)[N@H+](CCCN1CCCCC1)C1CC1 ZINC000160578418 232245260 /nfs/dbraw/zinc/24/52/60/232245260.db2.gz CAADLFTYEXUTND-CQSZACIVSA-N 1 0 250.430 3.125 20 70 CGIDRO Cc1c(C[NH2+]C2CCC(C(C)(C)C)CC2)cnn1C ZINC000161306028 232249446 /nfs/dbraw/zinc/24/94/46/232249446.db2.gz XHXGJWTYMHOQKU-UHFFFAOYSA-N 1 0 263.429 3.423 20 70 CGIDRO COc1cccc(CCC[N@H+](C)C[C@@H]2CCCCO2)c1 ZINC000159536509 346167592 /nfs/dbraw/zinc/16/75/92/346167592.db2.gz AVUPPYLGXRSSII-KRWDZBQOSA-N 1 0 277.408 3.129 20 70 CGIDRO Cc1cccc2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)cn21 ZINC000159732418 346168376 /nfs/dbraw/zinc/16/83/76/346168376.db2.gz QELMOJQBDMZRGN-HOCLYGCPSA-N 1 0 269.392 3.407 20 70 CGIDRO CN(C(=O)C(C)(C)C[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000161082437 346174219 /nfs/dbraw/zinc/17/42/19/346174219.db2.gz FPNBDHBVNIRENL-UHFFFAOYSA-N 1 0 282.387 3.301 20 70 CGIDRO CC[C@@H](C(=O)Nc1ccc(OC(C)C)c(C)c1)[NH+](C)C ZINC000159812259 188442999 /nfs/dbraw/zinc/44/29/99/188442999.db2.gz ILZOMTIDFBBAKH-AWEZNQCLSA-N 1 0 278.396 3.061 20 70 CGIDRO CC(C)[NH+](CCS[C@H](C(N)=O)c1ccccc1)C(C)C ZINC000161071205 188506428 /nfs/dbraw/zinc/50/64/28/188506428.db2.gz ZMNKSLAVPKZTTH-HNNXBMFYSA-N 1 0 294.464 3.065 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000161222975 188515551 /nfs/dbraw/zinc/51/55/51/188515551.db2.gz SMQPDHJQFQVRCY-CVEARBPZSA-N 1 0 288.435 3.204 20 70 CGIDRO CCOCCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000159366284 372136471 /nfs/dbraw/zinc/13/64/71/372136471.db2.gz IIACLUWEBSKXDM-LLVKDONJSA-N 1 0 257.324 3.384 20 70 CGIDRO CC(C)(Cc1ccccc1)C(=O)NCC1([NH3+])CCCCC1 ZINC000159545489 372153899 /nfs/dbraw/zinc/15/38/99/372153899.db2.gz LNLZHMWHEHOYGE-UHFFFAOYSA-N 1 0 288.435 3.033 20 70 CGIDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159623978 372162494 /nfs/dbraw/zinc/16/24/94/372162494.db2.gz DBVYQEKDSRCQCF-NEPJUHHUSA-N 1 0 296.484 3.002 20 70 CGIDRO CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@@H]3CCO)c2O1 ZINC000159720151 372171664 /nfs/dbraw/zinc/17/16/64/372171664.db2.gz MSTYRFMFDMFMLK-MRXNPFEDSA-N 1 0 289.419 3.137 20 70 CGIDRO OCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1Cl ZINC000159716621 372172373 /nfs/dbraw/zinc/17/23/73/372172373.db2.gz YUYLHZAZPKFSTB-INIZCTEOSA-N 1 0 293.769 3.345 20 70 CGIDRO Cn1cc(CC[NH2+]C2c3ccccc3-c3ccccc32)cn1 ZINC000159751637 372175454 /nfs/dbraw/zinc/17/54/54/372175454.db2.gz ABGYDHSLUULKRI-UHFFFAOYSA-N 1 0 289.382 3.322 20 70 CGIDRO CC[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159749667 372176196 /nfs/dbraw/zinc/17/61/96/372176196.db2.gz JCSDLHQDZNKTPA-UHFFFAOYSA-N 1 0 263.772 3.059 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C1CCC1 ZINC000160215667 372225793 /nfs/dbraw/zinc/22/57/93/372225793.db2.gz IFLKJHUDSNBEMC-SWLSCSKDSA-N 1 0 290.382 3.099 20 70 CGIDRO Cc1cc2ccccc2nc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160245759 372229072 /nfs/dbraw/zinc/22/90/72/372229072.db2.gz DJIHPHSCTBATIJ-UKRRQHHQSA-N 1 0 269.392 3.438 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cn21 ZINC000160338206 372239812 /nfs/dbraw/zinc/23/98/12/372239812.db2.gz KHIDLMIOBKCTCZ-CQSZACIVSA-N 1 0 287.407 3.078 20 70 CGIDRO Cc1ccc([C@H]2CCCCC[N@@H+]2CCn2ccnc2)o1 ZINC000159844429 372186788 /nfs/dbraw/zinc/18/67/88/372186788.db2.gz BGGZFESWNXZNPX-OAHLLOKOSA-N 1 0 273.380 3.402 20 70 CGIDRO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCn2ccnc2)o1 ZINC000159844316 372187659 /nfs/dbraw/zinc/18/76/59/372187659.db2.gz BGGZFESWNXZNPX-HNNXBMFYSA-N 1 0 273.380 3.402 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000159909332 372192825 /nfs/dbraw/zinc/19/28/25/372192825.db2.gz OWRQUDGDHPQXHF-XZDPQHSOSA-N 1 0 259.393 3.459 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)N2CCc3ccccc32)cn1 ZINC000159924836 372194333 /nfs/dbraw/zinc/19/43/33/372194333.db2.gz PYRBMQQHZQPAJL-GJZGRUSLSA-N 1 0 298.434 3.005 20 70 CGIDRO CCC[N@H+](CCCOCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000159954745 372197710 /nfs/dbraw/zinc/19/77/10/372197710.db2.gz AOTODQCXEQGFTI-OAHLLOKOSA-N 1 0 292.423 3.152 20 70 CGIDRO CC(C)[NH+](CCSCc1ccccn1)C(C)C ZINC000160961629 372291219 /nfs/dbraw/zinc/29/12/19/372291219.db2.gz YIVULPHTWQUEGY-UHFFFAOYSA-N 1 0 252.427 3.434 20 70 CGIDRO C[N@H+](Cc1cnc2ccccn12)[C@H]1CCc2ccccc2C1 ZINC000160416914 372245467 /nfs/dbraw/zinc/24/54/67/372245467.db2.gz QZPNTHWDFYLTOK-KRWDZBQOSA-N 1 0 291.398 3.324 20 70 CGIDRO CCc1cc(=O)[nH]c(CN(C)Cc2ccc(Cl)cc2)n1 ZINC000160525876 372254376 /nfs/dbraw/zinc/25/43/76/372254376.db2.gz UABSTCUXPFVYBC-UHFFFAOYSA-N 1 0 291.782 3.030 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000160561974 372257585 /nfs/dbraw/zinc/25/75/85/372257585.db2.gz BGBICACBSSKXMJ-CQSZACIVSA-N 1 0 285.391 3.124 20 70 CGIDRO COc1cccc(C[C@@H]([NH2+]CC(C)(C)O)c2ccccc2)c1 ZINC000160603743 372261257 /nfs/dbraw/zinc/26/12/57/372261257.db2.gz LOWQUFCRNMVZBU-GOSISDBHSA-N 1 0 299.414 3.340 20 70 CGIDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000160814247 372278024 /nfs/dbraw/zinc/27/80/24/372278024.db2.gz YNGMOFCIWXUJIS-UHFFFAOYSA-N 1 0 263.772 3.312 20 70 CGIDRO CC[C@@H]([NH2+]C1CCN(C(=O)OC)CC1)c1ccc(F)cc1 ZINC000160819680 372278973 /nfs/dbraw/zinc/27/89/73/372278973.db2.gz RDUHRSZGXLVKEI-OAHLLOKOSA-N 1 0 294.370 3.097 20 70 CGIDRO Fc1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000160854596 372281224 /nfs/dbraw/zinc/28/12/24/372281224.db2.gz ARXZNLDXHZWMDA-HUUCEWRRSA-N 1 0 282.790 3.196 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)C1CC[NH+](C)CC1 ZINC000160904411 372288007 /nfs/dbraw/zinc/28/80/07/372288007.db2.gz WOUWFCMXPQXHFF-UHFFFAOYSA-N 1 0 292.448 3.467 20 70 CGIDRO COc1ccc2cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc2c1 ZINC000161145061 372306135 /nfs/dbraw/zinc/30/61/35/372306135.db2.gz HVWGGHGOSDYGOG-GFCCVEGCSA-N 1 0 273.376 3.097 20 70 CGIDRO CC[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000161235716 372311418 /nfs/dbraw/zinc/31/14/18/372311418.db2.gz YSVBYXLBMKNCOI-CWRNSKLLSA-N 1 0 274.408 3.032 20 70 CGIDRO CCC[C@H](CC)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000161252483 372313269 /nfs/dbraw/zinc/31/32/69/372313269.db2.gz CHAJRUWVQRVWIL-INIZCTEOSA-N 1 0 297.487 3.329 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455260 372325335 /nfs/dbraw/zinc/32/53/35/372325335.db2.gz XBKQJBSIWDNBIE-OCCSQVGLSA-N 1 0 291.341 3.392 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNc1nc2ccccc2s1 ZINC000217366004 376172713 /nfs/dbraw/zinc/17/27/13/376172713.db2.gz YVOGEXMUXZHCHU-NSHDSACASA-N 1 0 263.410 3.439 20 70 CGIDRO Cc1ccccc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217675296 376176401 /nfs/dbraw/zinc/17/64/01/376176401.db2.gz SRZUNUYAHIYJPN-XIRDDKMYSA-N 1 0 258.409 3.272 20 70 CGIDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000217843313 376178696 /nfs/dbraw/zinc/17/86/96/376178696.db2.gz SOYNPRXTWNNQBS-RYUDHWBXSA-N 1 0 279.380 3.030 20 70 CGIDRO CCCn1c(C[NH2+]CCCCCOC)nc2ccccc21 ZINC000218240965 376186620 /nfs/dbraw/zinc/18/66/20/376186620.db2.gz FQOSJMFPSFLDRJ-UHFFFAOYSA-N 1 0 289.423 3.353 20 70 CGIDRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000159595823 542150966 /nfs/dbraw/zinc/15/09/66/542150966.db2.gz QGPBOZWJPDDPJN-GXTWGEPZSA-N 1 0 251.370 3.298 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)CCc1ccccc1 ZINC000159984082 542151748 /nfs/dbraw/zinc/15/17/48/542151748.db2.gz GYJWCUGUKHGLGE-HNNXBMFYSA-N 1 0 271.408 3.404 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000160171819 542153240 /nfs/dbraw/zinc/15/32/40/542153240.db2.gz YGVSTHFAANEQJW-ZDUSSCGKSA-N 1 0 273.380 3.153 20 70 CGIDRO C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160868149 542156308 /nfs/dbraw/zinc/15/63/08/542156308.db2.gz PPMOFXBYUXIAKP-YGRLFVJLSA-N 1 0 253.773 3.104 20 70 CGIDRO COCC[C@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000159553564 285164304 /nfs/dbraw/zinc/16/43/04/285164304.db2.gz LEXDIIYUYZRMOT-NHYWBVRUSA-N 1 0 251.345 3.218 20 70 CGIDRO CC[N@@H+]1CCCN(C(=O)NC(CC(C)C)CC(C)C)CC1 ZINC000159819757 285209101 /nfs/dbraw/zinc/20/91/01/285209101.db2.gz BDZUEOJDKZODJB-UHFFFAOYSA-N 1 0 297.487 3.184 20 70 CGIDRO COC(=O)CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000217223734 392994619 /nfs/dbraw/zinc/99/46/19/392994619.db2.gz JUTFOXNJCPJYDA-CQSZACIVSA-N 1 0 295.810 3.300 20 70 CGIDRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000217237932 392995079 /nfs/dbraw/zinc/99/50/79/392995079.db2.gz GKTANAVMOBXBAI-YOEHRIQHSA-N 1 0 292.398 3.125 20 70 CGIDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cncc(F)c1 ZINC000160412595 287030726 /nfs/dbraw/zinc/03/07/26/287030726.db2.gz IHODBVOJARANFT-DYVFJYSZSA-N 1 0 293.430 3.382 20 70 CGIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000217784788 270085586 /nfs/dbraw/zinc/08/55/86/270085586.db2.gz ZCQVNXGCWWAJHD-SRABZTEZSA-N 1 0 264.457 3.274 20 70 CGIDRO CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H](C)CCn2cccn2)CCO1 ZINC000159496379 275958116 /nfs/dbraw/zinc/95/81/16/275958116.db2.gz OGOPAYLUYGQQPN-UAGQMJEPSA-N 1 0 293.455 3.235 20 70 CGIDRO CC(C)OCCC[N@H+](CCc1nccs1)C(C)C ZINC000159831538 527937788 /nfs/dbraw/zinc/93/77/88/527937788.db2.gz ONCGAKBMADIXCR-UHFFFAOYSA-N 1 0 270.442 3.211 20 70 CGIDRO CC[C@H](COC)[NH2+]CCSc1ccc(Cl)cc1 ZINC000160085739 321846268 /nfs/dbraw/zinc/84/62/68/321846268.db2.gz LUUMOILHXOBKOO-GFCCVEGCSA-N 1 0 273.829 3.447 20 70 CGIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160427852 321851777 /nfs/dbraw/zinc/85/17/77/321851777.db2.gz ATXFYZGWUQLBEJ-HZPDHXFCSA-N 1 0 290.451 3.043 20 70 CGIDRO CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000161371386 321866398 /nfs/dbraw/zinc/86/63/98/321866398.db2.gz CXMXSOYOHUOPMV-CZUORRHYSA-N 1 0 277.383 3.262 20 70 CGIDRO CCCC[C@@H](CC)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161502475 521021625 /nfs/dbraw/zinc/02/16/25/521021625.db2.gz WKRBIOYJFNVERJ-JZWPEALZSA-N 1 0 280.456 3.334 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000160959524 519708773 /nfs/dbraw/zinc/70/87/73/519708773.db2.gz MNQGCCAWISKCGO-OAHLLOKOSA-N 1 0 294.826 3.222 20 70 CGIDRO CCC[N@@H+]1CCCN(C(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000160391020 519850912 /nfs/dbraw/zinc/85/09/12/519850912.db2.gz MSFCQRLWHBAORO-UHFFFAOYSA-N 1 0 299.418 3.034 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000159685697 525417860 /nfs/dbraw/zinc/41/78/60/525417860.db2.gz QNRQSIJFVYAWBC-JKSUJKDBSA-N 1 0 298.434 3.048 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]CC[S@@](=O)c2ccccc2)cc1 ZINC000160789500 525920420 /nfs/dbraw/zinc/92/04/20/525920420.db2.gz GMLBGOZYYAODNF-YWZLYKJASA-N 1 0 287.428 3.453 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000160878718 527178108 /nfs/dbraw/zinc/17/81/08/527178108.db2.gz QMSXHZACWIOBED-OAHLLOKOSA-N 1 0 289.448 3.216 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCc2ccccc21 ZINC000161006094 527580984 /nfs/dbraw/zinc/58/09/84/527580984.db2.gz NCABOFDQVJZGCC-RHSMWYFYSA-N 1 0 281.403 3.117 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000160300952 528656449 /nfs/dbraw/zinc/65/64/49/528656449.db2.gz GJICRBYSRQSLFN-UONOGXRCSA-N 1 0 272.396 3.034 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000160424273 528661640 /nfs/dbraw/zinc/66/16/40/528661640.db2.gz YSUXPNRGPXXYEB-HNNXBMFYSA-N 1 0 263.381 3.259 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc2c(c1)CCC2 ZINC000217625224 572395386 /nfs/dbraw/zinc/39/53/86/572395386.db2.gz ASLPWZWRGBLTLZ-AFAVFJNCSA-N 1 0 259.393 3.129 20 70 CGIDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)[C@H]1CCOC1 ZINC000160770950 529651195 /nfs/dbraw/zinc/65/11/95/529651195.db2.gz RGAIBWZPPWBVHA-XIRDDKMYSA-N 1 0 261.409 3.331 20 70 CGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000159836813 232241861 /nfs/dbraw/zinc/24/18/61/232241861.db2.gz GMDYPGQBVSVFAT-CZUORRHYSA-N 1 0 299.418 3.004 20 70 CGIDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000160533034 232245990 /nfs/dbraw/zinc/24/59/90/232245990.db2.gz PMNBRNBCFOGFNE-DTWKUNHWSA-N 1 0 272.161 3.334 20 70 CGIDRO C[C@H](CN1CCCCC1)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160887547 232248101 /nfs/dbraw/zinc/24/81/01/232248101.db2.gz SSZVSMOFDOHXKW-GFCCVEGCSA-N 1 0 284.806 3.443 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000160118290 188456257 /nfs/dbraw/zinc/45/62/57/188456257.db2.gz WUJDHRVYFBXOND-UONOGXRCSA-N 1 0 299.418 3.448 20 70 CGIDRO CC(C)CC[C@@H](C)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160044470 188452582 /nfs/dbraw/zinc/45/25/82/188452582.db2.gz VZNINDIATOILJZ-TZMCWYRMSA-N 1 0 255.427 3.370 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1 ZINC000160868424 188495696 /nfs/dbraw/zinc/49/56/96/188495696.db2.gz HGMKREJOFSJIFA-MRXNPFEDSA-N 1 0 275.371 3.233 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccs1 ZINC000161448077 188528557 /nfs/dbraw/zinc/52/85/57/188528557.db2.gz RZLILCFDWMACQZ-OCCSQVGLSA-N 1 0 261.390 3.175 20 70 CGIDRO c1cc([C@H]2CCCN2CCC[NH+]2CCCCC2)ccn1 ZINC000161459915 188529289 /nfs/dbraw/zinc/52/92/89/188529289.db2.gz HLONFDQAUHMAMV-QGZVFWFLSA-N 1 0 273.424 3.095 20 70 CGIDRO C[C@H](C[NH2+]Cc1cccc(C2CC2)c1)N(C)C1CC1 ZINC000217534852 138492841 /nfs/dbraw/zinc/49/28/41/138492841.db2.gz NADOCRHCZKJNIG-CYBMUJFWSA-N 1 0 258.409 3.136 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000159407828 372141209 /nfs/dbraw/zinc/14/12/09/372141209.db2.gz PWVKXXAVUWFKHC-FPMFFAJLSA-N 1 0 267.442 3.135 20 70 CGIDRO CCOc1cccc(C[NH2+][C@H](C)c2cncc(F)c2)c1 ZINC000159407371 372141281 /nfs/dbraw/zinc/14/12/81/372141281.db2.gz NEJCKRFVXSRJMQ-GFCCVEGCSA-N 1 0 274.339 3.470 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1(C)C ZINC000159781196 372180352 /nfs/dbraw/zinc/18/03/52/372180352.db2.gz PNXUNUFADUYYCB-AEGPPILISA-N 1 0 279.428 3.055 20 70 CGIDRO Cc1noc(C2CC[NH+](CCC3CCCC3)CC2)n1 ZINC000159494678 372149458 /nfs/dbraw/zinc/14/94/58/372149458.db2.gz OYNJLDDXTSXTSS-UHFFFAOYSA-N 1 0 263.385 3.138 20 70 CGIDRO Cc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000159532984 372152032 /nfs/dbraw/zinc/15/20/32/372152032.db2.gz HOBOMRSTCUHFCX-BMFZPTHFSA-N 1 0 275.367 3.181 20 70 CGIDRO Cc1ccccc1CCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159552818 372155215 /nfs/dbraw/zinc/15/52/15/372155215.db2.gz CWHDWJHRDVDHIW-SJORKVTESA-N 1 0 261.409 3.020 20 70 CGIDRO Clc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159616057 372161277 /nfs/dbraw/zinc/16/12/77/372161277.db2.gz CLRZQCYUAZTCQO-YUELXQCFSA-N 1 0 277.795 3.387 20 70 CGIDRO Cc1cccc([C@@H](C)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000159654219 372165065 /nfs/dbraw/zinc/16/50/65/372165065.db2.gz MTKUHOBFJLOSKS-MRXNPFEDSA-N 1 0 288.435 3.091 20 70 CGIDRO C[C@H](c1cccc(F)c1)[N@H+](C)CCOCC1CC1 ZINC000159768525 372177489 /nfs/dbraw/zinc/17/74/89/372177489.db2.gz NHYOPQNDOHSOLS-GFCCVEGCSA-N 1 0 251.345 3.245 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159769677 372178110 /nfs/dbraw/zinc/17/81/10/372178110.db2.gz QCTJTFGOBSFXSR-INIZCTEOSA-N 1 0 255.365 3.029 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cn1 ZINC000160095982 372212652 /nfs/dbraw/zinc/21/26/52/372212652.db2.gz IGOHZBRVVPROAM-CQSZACIVSA-N 1 0 292.423 3.305 20 70 CGIDRO CCc1nc2c(s1)[C@H](NCC[N@@H+](C)[C@@H](C)CC)CCC2 ZINC000160106648 372213939 /nfs/dbraw/zinc/21/39/39/372213939.db2.gz LYIZSKMOBMHBLG-QWHCGFSZSA-N 1 0 295.496 3.403 20 70 CGIDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160160264 372219907 /nfs/dbraw/zinc/21/99/07/372219907.db2.gz GSPCNEIQAKJGBN-GFCCVEGCSA-N 1 0 257.381 3.196 20 70 CGIDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160182073 372221843 /nfs/dbraw/zinc/22/18/43/372221843.db2.gz NDNQDPDLFYKMNH-STQMWFEESA-N 1 0 257.381 3.449 20 70 CGIDRO CCC[C@H]([NH2+][C@H](C)CC)C(=O)N1CCc2sccc2C1 ZINC000160186677 372221865 /nfs/dbraw/zinc/22/18/65/372221865.db2.gz GTWFUTKTNDHFMS-OCCSQVGLSA-N 1 0 294.464 3.190 20 70 CGIDRO COC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000159871390 372189057 /nfs/dbraw/zinc/18/90/57/372189057.db2.gz AUEXADVRKQZKJI-MRVPVSSYSA-N 1 0 281.705 3.483 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cnc3ccc(C)cn23)cc1 ZINC000159875201 372190148 /nfs/dbraw/zinc/19/01/48/372190148.db2.gz FWIUMJQCSBJPHE-UHFFFAOYSA-N 1 0 295.386 3.283 20 70 CGIDRO CCSCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000159976700 372200415 /nfs/dbraw/zinc/20/04/15/372200415.db2.gz UYYHPIDHSNEVPD-UHFFFAOYSA-N 1 0 257.443 3.163 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccncc2)C12CCC2 ZINC000160969738 372292541 /nfs/dbraw/zinc/29/25/41/372292541.db2.gz PUKWAYDXSVUILL-BPLDGKMQSA-N 1 0 260.381 3.080 20 70 CGIDRO Cc1cccc(-c2ccc(CNC(=O)[C@@H]([NH3+])C(C)C)cc2)c1 ZINC000161005763 372294490 /nfs/dbraw/zinc/29/44/90/372294490.db2.gz ORCITXNDYIFMKG-SFHVURJKSA-N 1 0 296.414 3.262 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161008661 372294887 /nfs/dbraw/zinc/29/48/87/372294887.db2.gz LPFLHDUTRMZDLR-IAGOWNOFSA-N 1 0 292.467 3.051 20 70 CGIDRO COc1ccccc1[C@@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055241 372298658 /nfs/dbraw/zinc/29/86/58/372298658.db2.gz ARSNRRJLBKMKHQ-KFWWJZLASA-N 1 0 276.424 3.219 20 70 CGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc(F)cc1 ZINC000160535226 372255649 /nfs/dbraw/zinc/25/56/49/372255649.db2.gz XZYSERVHECDZGF-UHFFFAOYSA-N 1 0 295.402 3.411 20 70 CGIDRO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1ccccc1C ZINC000160530396 372255750 /nfs/dbraw/zinc/25/57/50/372255750.db2.gz NLWCJSMZGMRAFC-UHFFFAOYSA-N 1 0 285.435 3.485 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000160599621 372261416 /nfs/dbraw/zinc/26/14/16/372261416.db2.gz VCYLUQRVWHMGJP-NEPJUHHUSA-N 1 0 297.830 3.430 20 70 CGIDRO CC(C)c1ccc(CN(Cc2nncn2C)C2CC2)cc1 ZINC000160715541 372270047 /nfs/dbraw/zinc/27/00/47/372270047.db2.gz OQTFRRBIKJKQNI-UHFFFAOYSA-N 1 0 284.407 3.103 20 70 CGIDRO OCCC[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1 ZINC000160726562 372271669 /nfs/dbraw/zinc/27/16/69/372271669.db2.gz GFGORNVMGZJFEC-MRXNPFEDSA-N 1 0 259.393 3.278 20 70 CGIDRO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccn(C)c1 ZINC000160738179 372271826 /nfs/dbraw/zinc/27/18/26/372271826.db2.gz FPASGPSIOXMTOT-UHFFFAOYSA-N 1 0 299.418 3.184 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000160817750 372279569 /nfs/dbraw/zinc/27/95/69/372279569.db2.gz RRMQXGJXUXDUFP-GDBMZVCRSA-N 1 0 277.408 3.380 20 70 CGIDRO CCC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000160830153 372279845 /nfs/dbraw/zinc/27/98/45/372279845.db2.gz JVBCHCFQKXSEEA-ZIAGYGMSSA-N 1 0 282.815 3.281 20 70 CGIDRO CCCCCC[C@@](C)(CC)C(=O)N1CCC[NH2+]CC1 ZINC000160851571 372281067 /nfs/dbraw/zinc/28/10/67/372281067.db2.gz WPAYWKNDUSUICW-MRXNPFEDSA-N 1 0 268.445 3.195 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1NCc1noc(C(C)(C)C)n1 ZINC000161433818 372322973 /nfs/dbraw/zinc/32/29/73/372322973.db2.gz LHUBTFIMHASTON-VXGBXAGGSA-N 1 0 265.401 3.426 20 70 CGIDRO OC[C@@H](C[NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000161449660 372325980 /nfs/dbraw/zinc/32/59/80/372325980.db2.gz HSAWMQVKAUGQCR-SJLPKXTDSA-N 1 0 267.372 3.040 20 70 CGIDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460722 372327674 /nfs/dbraw/zinc/32/76/74/372327674.db2.gz ZARUKFIPDWAOGU-WFASDCNBSA-N 1 0 262.397 3.146 20 70 CGIDRO CC(C)[C@H](CCc1ccccc1)[NH2+]C1CCN(C)CC1 ZINC000161506719 372330538 /nfs/dbraw/zinc/33/05/38/372330538.db2.gz DTNXRCCOENHOBF-SFHVURJKSA-N 1 0 274.452 3.328 20 70 CGIDRO c1ccc2sc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000217361321 376172376 /nfs/dbraw/zinc/17/23/76/376172376.db2.gz SYTHGFNAZHNRLW-YPMHNXCESA-N 1 0 273.405 3.335 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696621 376179359 /nfs/dbraw/zinc/17/93/59/376179359.db2.gz AUDJPNAJVXHOJZ-RCBQFDQVSA-N 1 0 262.372 3.103 20 70 CGIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000218183767 376184323 /nfs/dbraw/zinc/18/43/23/376184323.db2.gz AVCJGYKELSGNES-AEGPPILISA-N 1 0 291.391 3.066 20 70 CGIDRO CC(C)[C@@H](CNCc1cccc2cc[nH]c21)[NH+]1CCCC1 ZINC000218100486 376184678 /nfs/dbraw/zinc/18/46/78/376184678.db2.gz IMEVKEJHDOLXCB-QGZVFWFLSA-N 1 0 285.435 3.378 20 70 CGIDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159435916 542149863 /nfs/dbraw/zinc/14/98/63/542149863.db2.gz YVDCCJKIBQXXMM-HZPDHXFCSA-N 1 0 270.376 3.282 20 70 CGIDRO CCCn1nccc1C[NH2+]CC(C)(C)c1ccccc1 ZINC000160106008 542152599 /nfs/dbraw/zinc/15/25/99/542152599.db2.gz PPXUZIXBZUEMAC-UHFFFAOYSA-N 1 0 271.408 3.361 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc([S@@](C)=O)cc1 ZINC000160204492 542154115 /nfs/dbraw/zinc/15/41/15/542154115.db2.gz QBXAIQXRPLQNGP-UFYHVXEKSA-N 1 0 277.389 3.429 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000161015540 542157360 /nfs/dbraw/zinc/15/73/60/542157360.db2.gz NSORJZIBHUDLPX-JKSUJKDBSA-N 1 0 292.467 3.073 20 70 CGIDRO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160975311 542157149 /nfs/dbraw/zinc/15/71/49/542157149.db2.gz MWSWJKOKIZPIRW-BXUZGUMPSA-N 1 0 288.416 3.035 20 70 CGIDRO CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000161284836 542157744 /nfs/dbraw/zinc/15/77/44/542157744.db2.gz PGKFSHMIVCRKJR-NWDGAFQWSA-N 1 0 294.826 3.004 20 70 CGIDRO OC[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000161504382 542158843 /nfs/dbraw/zinc/15/88/43/542158843.db2.gz PDWLBHKUADOCMQ-MAUKXSAKSA-N 1 0 285.362 3.179 20 70 CGIDRO Cc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639913 392994480 /nfs/dbraw/zinc/99/44/80/392994480.db2.gz BIRAQLCPVXAGPZ-IRXDYDNUSA-N 1 0 258.409 3.020 20 70 CGIDRO FC(F)(F)c1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654573 392994908 /nfs/dbraw/zinc/99/49/08/392994908.db2.gz VJSSOMRHRWVQMD-GJZGRUSLSA-N 1 0 298.352 3.422 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000159788077 165466015 /nfs/dbraw/zinc/46/60/15/165466015.db2.gz TVZZMDCWINJTOY-HUUCEWRRSA-N 1 0 299.393 3.459 20 70 CGIDRO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1ccc(OC)cc1 ZINC000160118793 165474545 /nfs/dbraw/zinc/47/45/45/165474545.db2.gz XSFJULAVNISIEC-MRXNPFEDSA-N 1 0 277.408 3.289 20 70 CGIDRO C[N@H+](C[C@H](O)Cc1ccccc1)C1CCCCCC1 ZINC000218770687 270085640 /nfs/dbraw/zinc/08/56/40/270085640.db2.gz SXRKMLLXHLWLBV-QGZVFWFLSA-N 1 0 261.409 3.245 20 70 CGIDRO Cc1c(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cnn1C ZINC000161215237 280227415 /nfs/dbraw/zinc/22/74/15/280227415.db2.gz ALEQPCJSYWDNAR-OAHLLOKOSA-N 1 0 275.783 3.159 20 70 CGIDRO C[NH+]1CCC(CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159695217 321838940 /nfs/dbraw/zinc/83/89/40/321838940.db2.gz KWUSLJRERXKHGL-UHFFFAOYSA-N 1 0 280.456 3.051 20 70 CGIDRO CC[C@@H](C)[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160932191 321859854 /nfs/dbraw/zinc/85/98/54/321859854.db2.gz KYWHOEMYZXTCMS-CABCVRRESA-N 1 0 297.487 3.184 20 70 CGIDRO C[C@@H](Cc1ccsc1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160995684 321861452 /nfs/dbraw/zinc/86/14/52/321861452.db2.gz OXWVIEIBTHBLQS-FZMZJTMJSA-N 1 0 288.416 3.035 20 70 CGIDRO CCC(CC)(CO)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000161338556 521454269 /nfs/dbraw/zinc/45/42/69/521454269.db2.gz VUGYBNGVPJWKBD-MRXNPFEDSA-N 1 0 261.409 3.452 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(C)ccc1OC ZINC000160092567 529343828 /nfs/dbraw/zinc/34/38/28/529343828.db2.gz YYMGHTFTTKIXJO-CABCVRRESA-N 1 0 278.440 3.385 20 70 CGIDRO c1cn(CCCC[NH2+]Cc2coc3ccccc23)cn1 ZINC000161098741 572882491 /nfs/dbraw/zinc/88/24/91/572882491.db2.gz HLFFSAWOFSBACJ-UHFFFAOYSA-N 1 0 269.348 3.199 20 70 CGIDRO Cc1ccccc1[C@@H](NC(=O)CC[NH2+]C(C)C)C(C)C ZINC000159689541 346168585 /nfs/dbraw/zinc/16/85/85/346168585.db2.gz DWYKDCKQSIYZLX-KRWDZBQOSA-N 1 0 276.424 3.196 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2F)C1(C)C ZINC000217901748 346291865 /nfs/dbraw/zinc/29/18/65/346291865.db2.gz GODVSDLYNRIAQT-STQMWFEESA-N 1 0 269.335 3.258 20 70 CGIDRO O[C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc2cccnc21 ZINC000159415205 188424988 /nfs/dbraw/zinc/42/49/88/188424988.db2.gz YMDZXGIIYWCBLS-HZPDHXFCSA-N 1 0 270.376 3.018 20 70 CGIDRO CC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000159727133 188439472 /nfs/dbraw/zinc/43/94/72/188439472.db2.gz AYVLEHFBMSYGIZ-GMXABZIVSA-N 1 0 296.361 3.050 20 70 CGIDRO Cc1nn(C)cc1C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000159851443 188445035 /nfs/dbraw/zinc/44/50/35/188445035.db2.gz WDUXNOMYMGJTHU-KRWDZBQOSA-N 1 0 271.408 3.258 20 70 CGIDRO CC[C@@H](C[NH2+][C@H](C)c1cnccn1)Oc1ccccc1F ZINC000160316089 188465150 /nfs/dbraw/zinc/46/51/50/188465150.db2.gz VRFRAQIAKUBHER-OLZOCXBDSA-N 1 0 289.354 3.124 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CCCCc1ccc(C)cc1 ZINC000160437548 188472945 /nfs/dbraw/zinc/47/29/45/188472945.db2.gz GFDLBOIYHONVCH-UHFFFAOYSA-N 1 0 290.451 3.342 20 70 CGIDRO Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1Cl ZINC000160403248 188470810 /nfs/dbraw/zinc/47/08/10/188470810.db2.gz WSYNKAHMDNFPCP-CQSZACIVSA-N 1 0 294.826 3.286 20 70 CGIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1sc2c(c1C)CCCC2 ZINC000160988417 188501437 /nfs/dbraw/zinc/50/14/37/188501437.db2.gz RLOZQVKAOIOORS-TVQRCGJNSA-N 1 0 280.437 3.247 20 70 CGIDRO Cc1ccc(C[NH2+][C@H](C)CSC(C)(C)C)cn1 ZINC000161291703 188519497 /nfs/dbraw/zinc/51/94/97/188519497.db2.gz IYKORIVSQFIEDN-GFCCVEGCSA-N 1 0 252.427 3.400 20 70 CGIDRO Cc1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)nc1 ZINC000159364095 372135654 /nfs/dbraw/zinc/13/56/54/372135654.db2.gz JSANUYKJLKRKRB-UHFFFAOYSA-N 1 0 297.446 3.390 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000159452040 372144436 /nfs/dbraw/zinc/14/44/36/372144436.db2.gz NXOHMMIVWODTET-UMVBOHGHSA-N 1 0 293.480 3.451 20 70 CGIDRO CCOc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159493565 372149322 /nfs/dbraw/zinc/14/93/22/372149322.db2.gz JSKLNQKMMYOZLF-BBWFWOEESA-N 1 0 287.403 3.133 20 70 CGIDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159535102 372154439 /nfs/dbraw/zinc/15/44/39/372154439.db2.gz FTBGFDKLEPDRFT-KGLIPLIRSA-N 1 0 292.448 3.197 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCOC1 ZINC000159796804 372181652 /nfs/dbraw/zinc/18/16/52/372181652.db2.gz PBASLEPGEWHASW-GDBMZVCRSA-N 1 0 265.372 3.163 20 70 CGIDRO Cc1cccc([C@H](C)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000159654354 372164148 /nfs/dbraw/zinc/16/41/48/372164148.db2.gz MTKUHOBFJLOSKS-INIZCTEOSA-N 1 0 288.435 3.091 20 70 CGIDRO CSc1ccc(C(=O)NCC[NH2+]C2CCCCCC2)o1 ZINC000159656817 372166017 /nfs/dbraw/zinc/16/60/17/372166017.db2.gz GBIYSQGMVINWGM-UHFFFAOYSA-N 1 0 296.436 3.044 20 70 CGIDRO c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)OCCO2 ZINC000159702224 372171592 /nfs/dbraw/zinc/17/15/92/372171592.db2.gz ARNNIEVNGIZGGD-GJZGRUSLSA-N 1 0 273.376 3.222 20 70 CGIDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000159719140 372172488 /nfs/dbraw/zinc/17/24/88/372172488.db2.gz VSWMBTYMIZHLRI-QZTJIDSGSA-N 1 0 294.398 3.211 20 70 CGIDRO C[N@H+](CCn1ccnc1)Cc1cccc2ccccc21 ZINC000159757279 372175371 /nfs/dbraw/zinc/17/53/71/372175371.db2.gz KAZINNJLYJRPFD-UHFFFAOYSA-N 1 0 265.360 3.168 20 70 CGIDRO CC(C)[N@H+](CCn1ccnc1)Cc1cccc(Cl)c1 ZINC000159750015 372175561 /nfs/dbraw/zinc/17/55/61/372175561.db2.gz HRTARPALHGGDNT-UHFFFAOYSA-N 1 0 277.799 3.447 20 70 CGIDRO C[C@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccccc1F ZINC000159765644 372178710 /nfs/dbraw/zinc/17/87/10/372178710.db2.gz WIBBLDUSXQMRSU-CYBMUJFWSA-N 1 0 292.398 3.097 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160098766 372212673 /nfs/dbraw/zinc/21/26/73/372212673.db2.gz YBLPIOVGNIWRSF-UHFFFAOYSA-N 1 0 277.408 3.116 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1 ZINC000160094310 372212852 /nfs/dbraw/zinc/21/28/52/372212852.db2.gz KVLCDICXPXCMCD-APHBMKBZSA-N 1 0 263.381 3.303 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cn1 ZINC000160090873 372212984 /nfs/dbraw/zinc/21/29/84/372212984.db2.gz WXEDUNZOJZFPHW-LBPRGKRZSA-N 1 0 250.386 3.393 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)o1 ZINC000160136924 372216025 /nfs/dbraw/zinc/21/60/25/372216025.db2.gz KDJNLKJCEMDYQD-IAQYHMDHSA-N 1 0 279.405 3.462 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@H]3CCc4ccccc43)cn21 ZINC000160301258 372236165 /nfs/dbraw/zinc/23/61/65/372236165.db2.gz WWMZZAIRFQUJFR-KRWDZBQOSA-N 1 0 277.371 3.420 20 70 CGIDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)c1 ZINC000160325132 372238051 /nfs/dbraw/zinc/23/80/51/372238051.db2.gz JDAFLXKXSUYLKJ-IUODEOHRSA-N 1 0 263.381 3.303 20 70 CGIDRO Cc1ccc(C[N@H+](C)CCOc2ccc(F)cc2)nc1 ZINC000160328110 372239954 /nfs/dbraw/zinc/23/99/54/372239954.db2.gz JWSQGCXBBBKZMT-UHFFFAOYSA-N 1 0 274.339 3.040 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)C1(C)CC1)N1CCc2ccccc2C1 ZINC000159829459 372184913 /nfs/dbraw/zinc/18/49/13/372184913.db2.gz JXGOXZHNKCTKGK-HUUCEWRRSA-N 1 0 272.436 3.211 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1(C)CC1 ZINC000159829333 372185045 /nfs/dbraw/zinc/18/50/45/372185045.db2.gz JXGOXZHNKCTKGK-LSDHHAIUSA-N 1 0 272.436 3.211 20 70 CGIDRO CN(C(=O)Nc1cccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000159906226 372193391 /nfs/dbraw/zinc/19/33/91/372193391.db2.gz VOLHBEZPHWGMGH-INIZCTEOSA-N 1 0 283.375 3.041 20 70 CGIDRO CCC[N@H+](CCCOCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159954607 372198598 /nfs/dbraw/zinc/19/85/98/372198598.db2.gz AOTODQCXEQGFTI-HNNXBMFYSA-N 1 0 292.423 3.152 20 70 CGIDRO OCCCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000160957714 372290881 /nfs/dbraw/zinc/29/08/81/372290881.db2.gz SBGRNNLROZQOLT-UHFFFAOYSA-N 1 0 263.337 3.037 20 70 CGIDRO CC(C)[NH+](CCSCC(=O)c1ccc[nH]1)C(C)C ZINC000161040683 372297464 /nfs/dbraw/zinc/29/74/64/372297464.db2.gz IBDKEFDKZZGQFY-UHFFFAOYSA-N 1 0 268.426 3.049 20 70 CGIDRO CCC[N@H+](Cc1cnc2cnccn12)Cc1ccccc1 ZINC000160475863 372250557 /nfs/dbraw/zinc/25/05/57/372250557.db2.gz UREVPPOVRRJWEJ-UHFFFAOYSA-N 1 0 280.375 3.142 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000160566460 372257408 /nfs/dbraw/zinc/25/74/08/372257408.db2.gz QRCVWGDZMUVWEN-ZIAGYGMSSA-N 1 0 276.424 3.351 20 70 CGIDRO c1nc2ccccn2c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000160594407 372261484 /nfs/dbraw/zinc/26/14/84/372261484.db2.gz AAWGCCBWKQVZHT-QGZVFWFLSA-N 1 0 291.398 3.399 20 70 CGIDRO Cc1cccc([C@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]2)c1C ZINC000160723419 372271264 /nfs/dbraw/zinc/27/12/64/372271264.db2.gz RGETZEVAEQYHSL-NVXWUHKLSA-N 1 0 286.419 3.109 20 70 CGIDRO Fc1cc(Cl)ccc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160767307 372273873 /nfs/dbraw/zinc/27/38/73/372273873.db2.gz PYWMDGZXFRPDPM-LLVKDONJSA-N 1 0 282.790 3.053 20 70 CGIDRO C[C@@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CCN1C ZINC000160811218 372276649 /nfs/dbraw/zinc/27/66/49/372276649.db2.gz HWCOVEHGGDJEHN-NVXWUHKLSA-N 1 0 298.430 3.291 20 70 CGIDRO Cn1cnnc1C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000160843143 372280946 /nfs/dbraw/zinc/28/09/46/372280946.db2.gz RTHCVQZEDRLDDP-QGZVFWFLSA-N 1 0 292.386 3.305 20 70 CGIDRO Fc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160892040 372285974 /nfs/dbraw/zinc/28/59/74/372285974.db2.gz FFVZMEULRWDXRV-NSHDSACASA-N 1 0 282.790 3.053 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1F ZINC000161400865 372321378 /nfs/dbraw/zinc/32/13/78/372321378.db2.gz HVIFOBSGSGRACI-DZGCQCFKSA-N 1 0 273.351 3.252 20 70 CGIDRO CN1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445155 372325716 /nfs/dbraw/zinc/32/57/16/372325716.db2.gz CDVUKHMXTYWKAK-OAHLLOKOSA-N 1 0 294.826 3.238 20 70 CGIDRO CC(C)C[C@@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000161474099 372327223 /nfs/dbraw/zinc/32/72/23/372327223.db2.gz YLIKYHWCXPLZIQ-XYTVBORESA-N 1 0 292.467 3.192 20 70 CGIDRO [NH3+][C@H](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011585 376183269 /nfs/dbraw/zinc/18/32/69/376183269.db2.gz CLIQTFBCHMYLNE-GVDBMIGSSA-N 1 0 286.419 3.258 20 70 CGIDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000218133657 376184403 /nfs/dbraw/zinc/18/44/03/376184403.db2.gz RYJVBHJIKYGBKJ-ZIAGYGMSSA-N 1 0 271.408 3.489 20 70 CGIDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000218312548 376186286 /nfs/dbraw/zinc/18/62/86/376186286.db2.gz ZVXPEVPQVBSQLW-UHFFFAOYSA-N 1 0 293.769 3.474 20 70 CGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000218276922 376187190 /nfs/dbraw/zinc/18/71/90/376187190.db2.gz DTHIHADINJYXRV-IAOVAPTHSA-N 1 0 277.408 3.261 20 70 CGIDRO COc1cc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1F ZINC000218230879 376187344 /nfs/dbraw/zinc/18/73/44/376187344.db2.gz IERJTQQBSFKHBI-RCBQFDQVSA-N 1 0 292.398 3.112 20 70 CGIDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000159920790 542151561 /nfs/dbraw/zinc/15/15/61/542151561.db2.gz HJOYJEJRYRHEDC-LLVKDONJSA-N 1 0 295.333 3.355 20 70 CGIDRO CN(C)C1(C[NH2+]Cc2cccc3cnccc32)CCCC1 ZINC000160668684 542154729 /nfs/dbraw/zinc/15/47/29/542154729.db2.gz HBCUGIASRMUABZ-UHFFFAOYSA-N 1 0 283.419 3.199 20 70 CGIDRO CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000160979118 542157543 /nfs/dbraw/zinc/15/75/43/542157543.db2.gz QAPZZORXEIIAOO-CYBMUJFWSA-N 1 0 275.396 3.045 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000159433864 392581124 /nfs/dbraw/zinc/58/11/24/392581124.db2.gz YAOSTAGEFVCFLH-RDBSUJKOSA-N 1 0 259.459 3.311 20 70 CGIDRO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000217224145 392993744 /nfs/dbraw/zinc/99/37/44/392993744.db2.gz IBQHFBGAJMTLGH-CQSZACIVSA-N 1 0 268.445 3.001 20 70 CGIDRO CCCOc1cccc(CNCC[N@H+](C)[C@H](C)CC)c1 ZINC000217397318 392994545 /nfs/dbraw/zinc/99/45/45/392994545.db2.gz GLIWPXVZIIVNGD-OAHLLOKOSA-N 1 0 278.440 3.295 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CCCC2)C12CCCC2 ZINC000160676058 286490647 /nfs/dbraw/zinc/49/06/47/286490647.db2.gz HQVGSEHWRQUIER-CVEARBPZSA-N 1 0 294.483 3.188 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132133 165474578 /nfs/dbraw/zinc/47/45/78/165474578.db2.gz UPPFRQXZZUFBFH-QWRGUYRKSA-N 1 0 290.798 3.370 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000159889326 302223532 /nfs/dbraw/zinc/22/35/32/302223532.db2.gz KQJZQBORIWIDBY-OFQRWUPVSA-N 1 0 288.435 3.073 20 70 CGIDRO Cc1cc(C)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159607864 321837235 /nfs/dbraw/zinc/83/72/35/321837235.db2.gz PKMXEMGIWXPADF-ZACQAIPSSA-N 1 0 271.404 3.351 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000159640610 321837817 /nfs/dbraw/zinc/83/78/17/321837817.db2.gz ICGRTQACGUZEDM-IUODEOHRSA-N 1 0 283.799 3.124 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000160310670 500854914 /nfs/dbraw/zinc/85/49/14/500854914.db2.gz WITLAQFFODSSDJ-IUODEOHRSA-N 1 0 263.381 3.303 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(Cl)c1)c1ccco1 ZINC000160812463 522086027 /nfs/dbraw/zinc/08/60/27/522086027.db2.gz XVQHQPKFVPSBTB-CQSZACIVSA-N 1 0 296.773 3.465 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1ccc(Cl)cc1F)c1ccco1 ZINC000160658662 522086646 /nfs/dbraw/zinc/08/66/46/522086646.db2.gz VATJBBUBVFDUNU-CQSZACIVSA-N 1 0 296.773 3.465 20 70 CGIDRO CC[C@H](COC)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160808671 522257300 /nfs/dbraw/zinc/25/73/00/522257300.db2.gz WJXKHRNNYYLRPM-CYBMUJFWSA-N 1 0 298.814 3.073 20 70 CGIDRO CCc1oc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C ZINC000161035844 522984059 /nfs/dbraw/zinc/98/40/59/522984059.db2.gz OJULMFSKHHUKJO-UHFFFAOYSA-N 1 0 292.423 3.189 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000161117551 524000030 /nfs/dbraw/zinc/00/00/30/524000030.db2.gz LFIYNVCVWHBCRE-UONOGXRCSA-N 1 0 288.435 3.493 20 70 CGIDRO CCc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141623 524027257 /nfs/dbraw/zinc/02/72/57/524027257.db2.gz VOKWHUBYCHUZIT-RDBSUJKOSA-N 1 0 264.413 3.365 20 70 CGIDRO C[C@@H](CC1CC1)[NH2+]Cc1cncc(Br)c1 ZINC000160578261 524428265 /nfs/dbraw/zinc/42/82/65/524428265.db2.gz CCZPHCBUTDNIDU-VIFPVBQESA-N 1 0 269.186 3.122 20 70 CGIDRO COc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016544 525165069 /nfs/dbraw/zinc/16/50/69/525165069.db2.gz YQRBXJWLMRNFDO-RDBSUJKOSA-N 1 0 294.414 3.358 20 70 CGIDRO Cc1n[nH]cc1CCC[NH2+]Cc1coc2ccccc12 ZINC000161099013 525497616 /nfs/dbraw/zinc/49/76/16/525497616.db2.gz WUNJTNQIUVIZGM-UHFFFAOYSA-N 1 0 269.348 3.187 20 70 CGIDRO Cc1csc(CCCC[NH2+][C@@H](C)C2CCOCC2)n1 ZINC000160723069 526338317 /nfs/dbraw/zinc/33/83/17/526338317.db2.gz HQHZLRZHOOWRRM-ZDUSSCGKSA-N 1 0 282.453 3.179 20 70 CGIDRO CC[C@](C)(O)C[NH+]1CCC(Oc2cc(C)ccc2C)CC1 ZINC000160687079 529374173 /nfs/dbraw/zinc/37/41/73/529374173.db2.gz GRQQLXPVJATEBL-SFHVURJKSA-N 1 0 291.435 3.308 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000160493634 282126703 /nfs/dbraw/zinc/12/67/03/282126703.db2.gz RYFXMQOYVGYOPF-DXCKQFNASA-N 1 0 296.418 3.130 20 70 CGIDRO CCc1ccccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000160839399 529566307 /nfs/dbraw/zinc/56/63/07/529566307.db2.gz XPAMADNESKMVKI-UHFFFAOYSA-N 1 0 288.435 3.101 20 70 CGIDRO Cc1cccc([C@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159754782 346168647 /nfs/dbraw/zinc/16/86/47/346168647.db2.gz ZTKPQZHOAUBXHY-HOTGVXAUSA-N 1 0 288.435 3.089 20 70 CGIDRO CC[C@H](CC(=O)NCC[N@H+](C)C(C)C)c1ccc(C)cc1 ZINC000160180372 346170288 /nfs/dbraw/zinc/17/02/88/346170288.db2.gz GKBCTTKREHNKTJ-MRXNPFEDSA-N 1 0 290.451 3.335 20 70 CGIDRO CCOc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000160539814 346171636 /nfs/dbraw/zinc/17/16/36/346171636.db2.gz BLPHMKMXJINTCO-QRTARXTBSA-N 1 0 277.408 3.287 20 70 CGIDRO CC(C)[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000160830868 188493296 /nfs/dbraw/zinc/49/32/96/188493296.db2.gz YSVKFKOYRANXON-SWLSCSKDSA-N 1 0 294.826 3.153 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000159404100 372139384 /nfs/dbraw/zinc/13/93/84/372139384.db2.gz ICDDDQNFMNVTDQ-AVGNSLFASA-N 1 0 265.426 3.192 20 70 CGIDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCCSC1 ZINC000159518265 372152647 /nfs/dbraw/zinc/15/26/47/372152647.db2.gz JKPFASMPMGFWKO-RISCZKNCSA-N 1 0 296.411 3.028 20 70 CGIDRO Clc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159540527 372154529 /nfs/dbraw/zinc/15/45/29/372154529.db2.gz DCBCARBPKXHMRL-DRZSPHRISA-N 1 0 283.824 3.449 20 70 CGIDRO CCCC[NH+]1CCC(NC(=O)[C@H](C)c2cccs2)CC1 ZINC000159628785 372163041 /nfs/dbraw/zinc/16/30/41/372163041.db2.gz OANLQGVWADASNZ-CYBMUJFWSA-N 1 0 294.464 3.232 20 70 CGIDRO C[C@H]1CCC[C@@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000159717240 372171538 /nfs/dbraw/zinc/17/15/38/372171538.db2.gz FICARLJCDKSFRB-WMLDXEAASA-N 1 0 288.435 3.191 20 70 CGIDRO C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC[C@@H]1O ZINC000159746489 372175330 /nfs/dbraw/zinc/17/53/30/372175330.db2.gz HGGDLFJNFZZSSF-OCCSQVGLSA-N 1 0 287.325 3.298 20 70 CGIDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000159740639 372176344 /nfs/dbraw/zinc/17/63/44/372176344.db2.gz PFESBCYOULJRJY-SUMWQHHRSA-N 1 0 273.351 3.252 20 70 CGIDRO CC[C@H](C(=O)Nc1ccc(OC(C)C)c(C)c1)[NH+](C)C ZINC000159812398 372182548 /nfs/dbraw/zinc/18/25/48/372182548.db2.gz ILZOMTIDFBBAKH-CQSZACIVSA-N 1 0 278.396 3.061 20 70 CGIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1(C)C ZINC000159781491 372179273 /nfs/dbraw/zinc/17/92/73/372179273.db2.gz PNXUNUFADUYYCB-NWANDNLSSA-N 1 0 279.428 3.055 20 70 CGIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc(OC(F)F)c1 ZINC000160094203 372212491 /nfs/dbraw/zinc/21/24/91/372212491.db2.gz JOAOKQKVNMCXRT-GFCCVEGCSA-N 1 0 299.361 3.491 20 70 CGIDRO Cc1cccc([C@@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000160143185 372218467 /nfs/dbraw/zinc/21/84/67/372218467.db2.gz BLCMZPHUZURCFN-OEAJRASXSA-N 1 0 259.393 3.459 20 70 CGIDRO COC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000160196798 372223978 /nfs/dbraw/zinc/22/39/78/372223978.db2.gz PSYFVYHHRYWTNH-HIFRSBDPSA-N 1 0 259.349 3.188 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000160240866 372230199 /nfs/dbraw/zinc/23/01/99/372230199.db2.gz WIHWFTPNBXUXLD-DGCLKSJQSA-N 1 0 299.505 3.392 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)n1 ZINC000159827073 372184573 /nfs/dbraw/zinc/18/45/73/372184573.db2.gz GWOKRMQJMBYQOW-GOEBONIOSA-N 1 0 260.381 3.096 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cnc3c(C)cccn23)cc1 ZINC000159863131 372188851 /nfs/dbraw/zinc/18/88/51/372188851.db2.gz SBXGBAAXYVSZRA-UHFFFAOYSA-N 1 0 295.386 3.283 20 70 CGIDRO C[C@@H](c1ccco1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159910850 372192687 /nfs/dbraw/zinc/19/26/87/372192687.db2.gz XCWABVSSHHXMPO-ZDUSSCGKSA-N 1 0 286.375 3.174 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1cncc(F)c1 ZINC000159931150 372194565 /nfs/dbraw/zinc/19/45/65/372194565.db2.gz VWKAXVVKHJLULF-UONOGXRCSA-N 1 0 299.393 3.323 20 70 CGIDRO CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160922494 372289571 /nfs/dbraw/zinc/28/95/71/372289571.db2.gz RUWXZMPQGIAGAV-LLVKDONJSA-N 1 0 296.798 3.065 20 70 CGIDRO CC[N@@H+](Cc1cccnc1C)C[C@H]1COc2ccccc2O1 ZINC000160955311 372290454 /nfs/dbraw/zinc/29/04/54/372290454.db2.gz XXRLRTJSWCWTDS-INIZCTEOSA-N 1 0 298.386 3.052 20 70 CGIDRO COCC[C@@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000160388375 372244756 /nfs/dbraw/zinc/24/47/56/372244756.db2.gz WIJRPKPEKXNWDE-CYBMUJFWSA-N 1 0 290.432 3.367 20 70 CGIDRO CC1(C)C[C@H]1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000160514876 372253531 /nfs/dbraw/zinc/25/35/31/372253531.db2.gz NCWFADIZSVJEFL-LBPRGKRZSA-N 1 0 293.436 3.114 20 70 CGIDRO Cc1cccc([C@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)c1C ZINC000160834768 372279430 /nfs/dbraw/zinc/27/94/30/372279430.db2.gz GUQUXLVFFVUZTM-MAUKXSAKSA-N 1 0 296.414 3.051 20 70 CGIDRO C[N@H+](CCc1cccs1)Cc1cnc2ccccn12 ZINC000160852178 372281559 /nfs/dbraw/zinc/28/15/59/372281559.db2.gz DWDCZXSZBQOYGF-UHFFFAOYSA-N 1 0 271.389 3.070 20 70 CGIDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1ccc(F)cc1F ZINC000160859311 372283104 /nfs/dbraw/zinc/28/31/04/372283104.db2.gz XUXOTXSIMCCAKD-HZMBPMFUSA-N 1 0 257.324 3.431 20 70 CGIDRO CCn1nccc1CN(C)Cc1cccc(Cl)c1 ZINC000161130814 372304551 /nfs/dbraw/zinc/30/45/51/372304551.db2.gz MJDQEMMLDLSYQR-UHFFFAOYSA-N 1 0 263.772 3.188 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000161410279 372321942 /nfs/dbraw/zinc/32/19/42/372321942.db2.gz GPWUUNNEPQUKNL-RDJZCZTQSA-N 1 0 288.435 3.447 20 70 CGIDRO CN1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000161445274 372324777 /nfs/dbraw/zinc/32/47/77/372324777.db2.gz CDVUKHMXTYWKAK-HNNXBMFYSA-N 1 0 294.826 3.238 20 70 CGIDRO CCc1nn(C)c(CC)c1C[NH2+]CCc1cccc(C)c1 ZINC000161450486 372325379 /nfs/dbraw/zinc/32/53/79/372325379.db2.gz LSMYURUORDXRFB-UHFFFAOYSA-N 1 0 285.435 3.186 20 70 CGIDRO COc1ccccc1[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161471720 372327497 /nfs/dbraw/zinc/32/74/97/372327497.db2.gz ZVSFDMHWMXRMNP-GOEBONIOSA-N 1 0 285.387 3.122 20 70 CGIDRO CCOc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217659340 376176971 /nfs/dbraw/zinc/17/69/71/376176971.db2.gz VFEWUDXRCXHVIO-UAGQMJEPSA-N 1 0 288.435 3.363 20 70 CGIDRO Fc1cccc(C2CC([NH2+][C@@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000217691792 376180145 /nfs/dbraw/zinc/18/01/45/376180145.db2.gz DAIWEKBTOAOYMR-SYNTWQANSA-N 1 0 288.410 3.288 20 70 CGIDRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1 ZINC000217688533 376180203 /nfs/dbraw/zinc/18/02/03/376180203.db2.gz QXHIAKIVLZHVSM-BBWFWOEESA-N 1 0 276.399 3.493 20 70 CGIDRO CC(C)[C@H](CNCc1cccc2cc[nH]c21)[NH+]1CCCC1 ZINC000218100556 376184762 /nfs/dbraw/zinc/18/47/62/376184762.db2.gz IMEVKEJHDOLXCB-KRWDZBQOSA-N 1 0 285.435 3.378 20 70 CGIDRO COc1cc([C@@H](C)[NH2+]Cc2cccc(CO)c2)ccc1F ZINC000218244833 376187109 /nfs/dbraw/zinc/18/71/09/376187109.db2.gz PGTSYJBTRQXCLQ-GFCCVEGCSA-N 1 0 289.350 3.177 20 70 CGIDRO COc1cc(C[NH2+][C@@H](C)c2ccsc2)cc2c1OCO2 ZINC000159900809 542151989 /nfs/dbraw/zinc/15/19/89/542151989.db2.gz JEVDFJNVBWSXNB-JTQLQIEISA-N 1 0 291.372 3.336 20 70 CGIDRO CN(C)c1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cn1 ZINC000159853052 542152055 /nfs/dbraw/zinc/15/20/55/542152055.db2.gz PTZRUEWHTGAUBE-UHFFFAOYSA-N 1 0 263.429 3.452 20 70 CGIDRO CCn1nccc1C[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000159944075 542151771 /nfs/dbraw/zinc/15/17/71/542151771.db2.gz YFNVSUBIWWDFKY-KRWDZBQOSA-N 1 0 271.408 3.432 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(F)cc1F ZINC000160079601 392580500 /nfs/dbraw/zinc/58/05/00/392580500.db2.gz QFODEDXSFKEGQS-RYUDHWBXSA-N 1 0 270.367 3.346 20 70 CGIDRO CCc1ccc(C[NH2+]CCc2ccc3c(c2)OCCO3)cc1 ZINC000216725796 392992235 /nfs/dbraw/zinc/99/22/35/392992235.db2.gz PAZAQXNULFTVBA-UHFFFAOYSA-N 1 0 297.398 3.353 20 70 CGIDRO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000218730980 392999923 /nfs/dbraw/zinc/99/99/23/392999923.db2.gz MLBGQFXLJJAMIE-HRCADAONSA-N 1 0 281.346 3.090 20 70 CGIDRO CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000161235832 397658575 /nfs/dbraw/zinc/65/85/75/397658575.db2.gz YSVBYXLBMKNCOI-VNQPRFMTSA-N 1 0 274.408 3.032 20 70 CGIDRO CCOC(CC[NH2+][C@H]1CCCc2ccccc21)OCC ZINC000159534349 285987067 /nfs/dbraw/zinc/98/70/67/285987067.db2.gz FOBMWAUSEAAFMM-INIZCTEOSA-N 1 0 277.408 3.443 20 70 CGIDRO CN(C(=O)Nc1cccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000159906363 165472725 /nfs/dbraw/zinc/47/27/25/165472725.db2.gz VOLHBEZPHWGMGH-MRXNPFEDSA-N 1 0 283.375 3.041 20 70 CGIDRO C[N@@H+](Cc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000218686756 270085634 /nfs/dbraw/zinc/08/56/34/270085634.db2.gz RBEPMXOAZMYTBJ-MRXNPFEDSA-N 1 0 289.806 3.375 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000160326060 278137204 /nfs/dbraw/zinc/13/72/04/278137204.db2.gz JLNPAWSQCBBJRN-DVOMOZLQSA-N 1 0 279.449 3.329 20 70 CGIDRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000160365205 279265900 /nfs/dbraw/zinc/26/59/00/279265900.db2.gz YFODZGJWBNVBLG-HUUCEWRRSA-N 1 0 278.444 3.239 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000160361249 279958500 /nfs/dbraw/zinc/95/85/00/279958500.db2.gz RNKUWDJHQZQBRR-CWRNSKLLSA-N 1 0 280.456 3.238 20 70 CGIDRO CCCc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1 ZINC000160252158 321849133 /nfs/dbraw/zinc/84/91/33/321849133.db2.gz KZJXDDJRNJNGKW-CZUORRHYSA-N 1 0 281.465 3.404 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000161084149 321861794 /nfs/dbraw/zinc/86/17/94/321861794.db2.gz SVIDDJHCLDPNRX-QZTJIDSGSA-N 1 0 294.398 3.034 20 70 CGIDRO CC(C)C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160910769 519270585 /nfs/dbraw/zinc/27/05/85/519270585.db2.gz CCUAVJFZBRJABX-AWEZNQCLSA-N 1 0 257.381 3.202 20 70 CGIDRO CCC[C@@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161061438 520666524 /nfs/dbraw/zinc/66/65/24/520666524.db2.gz JCCFNHOSQADBDR-OAHLLOKOSA-N 1 0 284.403 3.175 20 70 CGIDRO CCC(CC)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161075197 521596633 /nfs/dbraw/zinc/59/66/33/521596633.db2.gz RLUZALWFDUONIC-UHFFFAOYSA-N 1 0 284.403 3.175 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161389954 522059782 /nfs/dbraw/zinc/05/97/82/522059782.db2.gz JYLPKXLCFAOKKN-GFCCVEGCSA-N 1 0 282.815 3.109 20 70 CGIDRO CC[C@]1(C)CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160865021 523560943 /nfs/dbraw/zinc/56/09/43/523560943.db2.gz AGSNQMDWIPYCMN-MRXNPFEDSA-N 1 0 257.381 3.346 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)C1(C)CC1 ZINC000160884007 525490579 /nfs/dbraw/zinc/49/05/79/525490579.db2.gz BHLILOHZNXTQLV-LSDHHAIUSA-N 1 0 260.425 3.285 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000161442784 527175855 /nfs/dbraw/zinc/17/58/55/527175855.db2.gz POIUEOFCZRKTBL-ZDUSSCGKSA-N 1 0 257.381 3.263 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000160424134 528659917 /nfs/dbraw/zinc/65/99/17/528659917.db2.gz YSUXPNRGPXXYEB-OAHLLOKOSA-N 1 0 263.381 3.259 20 70 CGIDRO CCSCc1cccc(NC(=O)C[C@@H]2CCC[NH2+]2)c1 ZINC000160425378 529200005 /nfs/dbraw/zinc/20/00/05/529200005.db2.gz XZWLTFIALMZXMF-ZDUSSCGKSA-N 1 0 278.421 3.020 20 70 CGIDRO CC[C@@H]([NH2+]Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000160848031 346172775 /nfs/dbraw/zinc/17/27/75/346172775.db2.gz BBHDIYNUYBFODU-OAHLLOKOSA-N 1 0 274.339 3.470 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2ccc3ncccc3c2)CCO1 ZINC000160443919 188472782 /nfs/dbraw/zinc/47/27/82/188472782.db2.gz HBJCHMSBGUSAFD-OAHLLOKOSA-N 1 0 270.376 3.282 20 70 CGIDRO CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160443098 188472895 /nfs/dbraw/zinc/47/28/95/188472895.db2.gz AHOVRNWTPCHUQI-CQSZACIVSA-N 1 0 263.381 3.133 20 70 CGIDRO CN(C(=O)[C@]1(C)CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000161301902 188520850 /nfs/dbraw/zinc/52/08/50/188520850.db2.gz OQXPFBREABUUKV-GOSISDBHSA-N 1 0 282.387 3.192 20 70 CGIDRO FC(F)(F)COCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000159363694 372136219 /nfs/dbraw/zinc/13/62/19/372136219.db2.gz CYWROWGMMSMMQR-GFCCVEGCSA-N 1 0 289.297 3.069 20 70 CGIDRO C[C@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccn1 ZINC000159377280 372137087 /nfs/dbraw/zinc/13/70/87/372137087.db2.gz UCBLYRJPGTVDDL-NSHDSACASA-N 1 0 261.756 3.023 20 70 CGIDRO CCN(CC[NH2+][C@@H](C)c1ccco1)C(=O)OC(C)(C)C ZINC000159485239 372148738 /nfs/dbraw/zinc/14/87/38/372148738.db2.gz HBDJSFAKFJEYLR-LBPRGKRZSA-N 1 0 282.384 3.187 20 70 CGIDRO CC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)[C@H]1CCOC1 ZINC000159499132 372150529 /nfs/dbraw/zinc/15/05/29/372150529.db2.gz HXAFESIJJNBSKZ-DLBZAZTESA-N 1 0 261.409 3.251 20 70 CGIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1F ZINC000159531712 372152140 /nfs/dbraw/zinc/15/21/40/372152140.db2.gz OTUBCPOFEGBUEI-HNNXBMFYSA-N 1 0 296.361 3.018 20 70 CGIDRO C[C@H](CC(=O)NCC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000159546891 372153665 /nfs/dbraw/zinc/15/36/65/372153665.db2.gz HHYLXDUXKSLMCM-CYBMUJFWSA-N 1 0 292.398 3.097 20 70 CGIDRO c1ccc2c(c1)C=C(C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)CO2 ZINC000159558536 372156260 /nfs/dbraw/zinc/15/62/60/372156260.db2.gz BEZYUXJZLKTFCM-SZMVWBNQSA-N 1 0 297.398 3.010 20 70 CGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cc2ccccc2o1 ZINC000159576932 372156888 /nfs/dbraw/zinc/15/68/88/372156888.db2.gz WOUHYGCKRMHTRR-ZDUSSCGKSA-N 1 0 286.375 3.096 20 70 CGIDRO COc1ccc(C[NH2+]Cc2coc3ccccc23)cn1 ZINC000159799805 372181720 /nfs/dbraw/zinc/18/17/20/372181720.db2.gz HTVGNMKPJMXRNL-UHFFFAOYSA-N 1 0 268.316 3.126 20 70 CGIDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000159763316 372178092 /nfs/dbraw/zinc/17/80/92/372178092.db2.gz BDEHNURFLMUXKD-IRXDYDNUSA-N 1 0 289.419 3.193 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]CCCc2cccc(F)c2)cn1 ZINC000159785838 372179431 /nfs/dbraw/zinc/17/94/31/372179431.db2.gz PHXBVZKNTPXYAL-CYBMUJFWSA-N 1 0 275.371 3.326 20 70 CGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)C1CCCC1 ZINC000160099453 372212575 /nfs/dbraw/zinc/21/25/75/372212575.db2.gz VZTIHESBASRMNR-FZMZJTMJSA-N 1 0 253.411 3.124 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1NC(C)=O ZINC000160136289 372217111 /nfs/dbraw/zinc/21/71/11/372217111.db2.gz VYYBZBJYMLNHEC-GHMZBOCLSA-N 1 0 276.380 3.103 20 70 CGIDRO C[C@H]1CC[C@H](C)[NH+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160148743 372219072 /nfs/dbraw/zinc/21/90/72/372219072.db2.gz NXHTZBLPDVDNOP-KBPBESRZSA-N 1 0 280.456 3.144 20 70 CGIDRO CCOCCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172693 372220427 /nfs/dbraw/zinc/22/04/27/372220427.db2.gz WVXVXZNAYDPYFB-OWCLPIDISA-N 1 0 294.439 3.067 20 70 CGIDRO Cc1cnc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160230935 372227696 /nfs/dbraw/zinc/22/76/96/372227696.db2.gz NUJNPPSSSDNWSE-WMLDXEAASA-N 1 0 296.418 3.026 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@H](C)C3CCCC3)cn21 ZINC000160339804 372239095 /nfs/dbraw/zinc/23/90/95/372239095.db2.gz MWOFTFBTOWHZSQ-CYBMUJFWSA-N 1 0 257.381 3.311 20 70 CGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccnc1Cl ZINC000159957818 372198640 /nfs/dbraw/zinc/19/86/40/372198640.db2.gz YXWJXRMXHHIWQS-YGRLFVJLSA-N 1 0 296.823 3.355 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccccc1C ZINC000159979240 372199970 /nfs/dbraw/zinc/19/99/70/372199970.db2.gz LVRCEDBOHOOJOG-CQSZACIVSA-N 1 0 257.381 3.452 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@H]2CCCO2)c1 ZINC000160010507 372203051 /nfs/dbraw/zinc/20/30/51/372203051.db2.gz GDQFKXQXFRRANK-VNHYZAJKSA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@H]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000160980351 372293092 /nfs/dbraw/zinc/29/30/92/372293092.db2.gz WFKYAOFPZVPQEM-GOEBONIOSA-N 1 0 288.435 3.304 20 70 CGIDRO CCC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1 ZINC000160520226 372253401 /nfs/dbraw/zinc/25/34/01/372253401.db2.gz QKYGFFCYMRXZQJ-UHFFFAOYSA-N 1 0 297.464 3.112 20 70 CGIDRO COc1cc(C[NH2+][C@@H](C(C)C)C2CC2)cc(OC)c1OC ZINC000160664624 372267069 /nfs/dbraw/zinc/26/70/69/372267069.db2.gz ZFVFRPKGWVUBHR-INIZCTEOSA-N 1 0 293.407 3.237 20 70 CGIDRO CCc1ccc([C@@H](CO)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000160766538 372273015 /nfs/dbraw/zinc/27/30/15/372273015.db2.gz APCRQXJFFRCBDP-DOTOQJQBSA-N 1 0 259.393 3.228 20 70 CGIDRO CCn1cc([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cn1 ZINC000160812840 372277113 /nfs/dbraw/zinc/27/71/13/372277113.db2.gz JMHOHANQQXIYOV-YOEHRIQHSA-N 1 0 287.407 3.067 20 70 CGIDRO Cc1cccc([C@@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)c1C ZINC000160834631 372279606 /nfs/dbraw/zinc/27/96/06/372279606.db2.gz GUQUXLVFFVUZTM-CRAIPNDOSA-N 1 0 296.414 3.051 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000160864727 372282806 /nfs/dbraw/zinc/28/28/06/372282806.db2.gz YLFHKZIZTILLPI-UHFFFAOYSA-N 1 0 297.324 3.417 20 70 CGIDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1ccc(F)cc1F ZINC000160859687 372283971 /nfs/dbraw/zinc/28/39/71/372283971.db2.gz XUXOTXSIMCCAKD-QMTHXVAHSA-N 1 0 257.324 3.431 20 70 CGIDRO CN(Cc1ccnn1C)Cc1ccc(Cl)c(Cl)c1 ZINC000161139688 372304113 /nfs/dbraw/zinc/30/41/13/372304113.db2.gz IAMIDSPPETXZHV-UHFFFAOYSA-N 1 0 284.190 3.359 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171496 372307364 /nfs/dbraw/zinc/30/73/64/372307364.db2.gz LVGRUUAEIDEPQF-DZGCQCFKSA-N 1 0 294.414 3.359 20 70 CGIDRO C[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000161201091 372309357 /nfs/dbraw/zinc/30/93/57/372309357.db2.gz UCYQJILLRKJGOT-ZIAGYGMSSA-N 1 0 280.456 3.192 20 70 CGIDRO COC[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)C(C)C ZINC000161307801 372315922 /nfs/dbraw/zinc/31/59/22/372315922.db2.gz XKGANAGHGNJJOF-DOTOQJQBSA-N 1 0 279.424 3.100 20 70 CGIDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343467 372318370 /nfs/dbraw/zinc/31/83/70/372318370.db2.gz ZUJRCQKRGOEDKR-DNVCBOLYSA-N 1 0 299.414 3.402 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)CC2 ZINC000161459074 372326026 /nfs/dbraw/zinc/32/60/26/372326026.db2.gz BWFWNQPCWZJYAN-LPHOPBHVSA-N 1 0 297.398 3.048 20 70 CGIDRO OC[C@H](C[NH2+][C@@H]1CCc2ccccc21)c1ccccc1 ZINC000161449526 372326075 /nfs/dbraw/zinc/32/60/75/372326075.db2.gz HSAWMQVKAUGQCR-FUHWJXTLSA-N 1 0 267.372 3.040 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccnc1Cl ZINC000161466356 372327371 /nfs/dbraw/zinc/32/73/71/372327371.db2.gz UCCNKIAOSYZKIJ-TZMCWYRMSA-N 1 0 290.794 3.162 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1F ZINC000217679392 376179277 /nfs/dbraw/zinc/17/92/77/376179277.db2.gz NBWGACAECLZZGL-MAZHCROVSA-N 1 0 262.372 3.103 20 70 CGIDRO Fc1cccc(C2CC([NH2+][C@H]3CCN4CCCC[C@@H]34)C2)c1 ZINC000217691870 376179319 /nfs/dbraw/zinc/17/93/19/376179319.db2.gz DAIWEKBTOAOYMR-KXIUCKCTSA-N 1 0 288.410 3.288 20 70 CGIDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)nc2)[C@@H]1C ZINC000159556052 542149219 /nfs/dbraw/zinc/14/92/19/542149219.db2.gz HJYOGWZBOSTKKP-NFAWXSAZSA-N 1 0 261.413 3.062 20 70 CGIDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159410129 542149676 /nfs/dbraw/zinc/14/96/76/542149676.db2.gz AIELEKLITUFMAJ-SJORKVTESA-N 1 0 284.403 3.325 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000159852239 542152118 /nfs/dbraw/zinc/15/21/18/542152118.db2.gz IDJSBQKXACYLBQ-HUUCEWRRSA-N 1 0 261.413 3.206 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](OC)C2)cc1 ZINC000160108360 542152709 /nfs/dbraw/zinc/15/27/09/542152709.db2.gz CQBUVDIMPBWJCJ-DUVNUKRYSA-N 1 0 263.381 3.303 20 70 CGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000160855910 542155758 /nfs/dbraw/zinc/15/57/58/542155758.db2.gz FRGOCIIGAZHECP-ZWKOTPCHSA-N 1 0 296.414 3.159 20 70 CGIDRO C[C@H](CCSc1ccccc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160808255 542156587 /nfs/dbraw/zinc/15/65/87/542156587.db2.gz HQTOBUBYWSMVDZ-CJNGLKHVSA-N 1 0 279.449 3.260 20 70 CGIDRO COc1cccc(CC[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000160183501 533465141 /nfs/dbraw/zinc/46/51/41/533465141.db2.gz IJMALFYVCPCNNJ-UHFFFAOYSA-N 1 0 277.314 3.306 20 70 CGIDRO FC(F)(F)c1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000217359946 392994247 /nfs/dbraw/zinc/99/42/47/392994247.db2.gz BIVVMANDXILWOB-NEPJUHHUSA-N 1 0 285.313 3.139 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc2c1OC(C)(C)C2 ZINC000217798227 270085625 /nfs/dbraw/zinc/08/56/25/270085625.db2.gz FJBADPWZWCCXBK-CQSZACIVSA-N 1 0 290.451 3.220 20 70 CGIDRO CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000160518053 275874932 /nfs/dbraw/zinc/87/49/32/275874932.db2.gz FPYBXADWWRIKNH-SNPRPXQTSA-N 1 0 277.408 3.434 20 70 CGIDRO CC(C)n1cc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000159633870 280768363 /nfs/dbraw/zinc/76/83/63/280768363.db2.gz CLVXDNKQBNQJFG-ZDUSSCGKSA-N 1 0 292.471 3.424 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@H](C)[NH3+])[C@H]1CCC[C@H](C)C1 ZINC000159686657 302196337 /nfs/dbraw/zinc/19/63/37/302196337.db2.gz FOTRFUYDDSBBKO-NZUILWFCSA-N 1 0 288.435 3.326 20 70 CGIDRO CCC[C@@H]([NH2+]CCCN1CCCC1=O)C1CCCCC1 ZINC000159535270 321836878 /nfs/dbraw/zinc/83/68/78/321836878.db2.gz FSDIIVIOZSEHJA-MRXNPFEDSA-N 1 0 280.456 3.338 20 70 CGIDRO Clc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159657088 321838679 /nfs/dbraw/zinc/83/86/79/321838679.db2.gz WWHCFFNCVUZBQT-KFWWJZLASA-N 1 0 277.795 3.387 20 70 CGIDRO COC[C@@H]([NH2+]CCCc1cccc(F)c1)C(C)C ZINC000159796425 321840625 /nfs/dbraw/zinc/84/06/25/321840625.db2.gz WBNMOMKLBWYIGL-OAHLLOKOSA-N 1 0 253.361 3.019 20 70 CGIDRO C[C@H](C[NH2+]C(C1CC1)C1CC1)N1CCc2ccccc2C1 ZINC000159800174 321841330 /nfs/dbraw/zinc/84/13/30/321841330.db2.gz CUBDRCAVJPXJGS-CQSZACIVSA-N 1 0 284.447 3.211 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160157014 321847300 /nfs/dbraw/zinc/84/73/00/321847300.db2.gz OSGKUNZRCXNAGJ-YOEHRIQHSA-N 1 0 286.419 3.271 20 70 CGIDRO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccco1 ZINC000160196681 321847823 /nfs/dbraw/zinc/84/78/23/321847823.db2.gz PSYFVYHHRYWTNH-ZFWWWQNUSA-N 1 0 259.349 3.188 20 70 CGIDRO C[C@H](Cc1ccc(F)cc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161037416 321861137 /nfs/dbraw/zinc/86/11/37/321861137.db2.gz FNUXFWSFOOATGW-RDTXWAMCSA-N 1 0 287.378 3.470 20 70 CGIDRO CC(=O)NC1CCC([NH2+]CCCCC(C)(C)C)CC1 ZINC000161447782 519644914 /nfs/dbraw/zinc/64/49/14/519644914.db2.gz KNJNFIRTQBYJLN-UHFFFAOYSA-N 1 0 268.445 3.240 20 70 CGIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1SC ZINC000160627707 533906184 /nfs/dbraw/zinc/90/61/84/533906184.db2.gz PDIZQXUWPPBOIL-ZDUSSCGKSA-N 1 0 295.448 3.464 20 70 CGIDRO OCC1(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CCCC1 ZINC000160105032 534348551 /nfs/dbraw/zinc/34/85/51/534348551.db2.gz UHOZYIOWBGBACK-INIZCTEOSA-N 1 0 277.383 3.419 20 70 CGIDRO C(CN1CCC(OC2CCCC2)CC1)C[NH+]1CCCCC1 ZINC000160769604 518386437 /nfs/dbraw/zinc/38/64/37/518386437.db2.gz UVZSDTUFTFVXSB-UHFFFAOYSA-N 1 0 294.483 3.286 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000159444675 521706037 /nfs/dbraw/zinc/70/60/37/521706037.db2.gz QGWXMPVVJOTSEI-OAHLLOKOSA-N 1 0 251.345 3.389 20 70 CGIDRO CCSCC[C@@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160904292 521711724 /nfs/dbraw/zinc/71/17/24/521711724.db2.gz NZHPZCRMJWZACM-CYBMUJFWSA-N 1 0 277.437 3.298 20 70 CGIDRO CC[C@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000161437629 522560759 /nfs/dbraw/zinc/56/07/59/522560759.db2.gz BJTYSHNLFQQBMB-HNNXBMFYSA-N 1 0 296.842 3.484 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000161413110 523222432 /nfs/dbraw/zinc/22/24/32/523222432.db2.gz DRJMBMAGCKWTIR-IAGOWNOFSA-N 1 0 288.435 3.203 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1C ZINC000161390083 523921376 /nfs/dbraw/zinc/92/13/76/523921376.db2.gz JYLPKXLCFAOKKN-LBPRGKRZSA-N 1 0 282.815 3.109 20 70 CGIDRO Cc1cccc(C(=O)Nc2cccc(C[NH+](C)C)c2)c1F ZINC000161451109 524221224 /nfs/dbraw/zinc/22/12/24/524221224.db2.gz DZUNLYVSKBCJTC-UHFFFAOYSA-N 1 0 286.350 3.448 20 70 CGIDRO c1sc(C2CC2)nc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000161410551 526631204 /nfs/dbraw/zinc/63/12/04/526631204.db2.gz NJWDCADJQLLJJI-LLVKDONJSA-N 1 0 278.421 3.021 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160790086 282090805 /nfs/dbraw/zinc/09/08/05/282090805.db2.gz NIMCDCMYHBFSNI-CABCVRRESA-N 1 0 269.392 3.407 20 70 CGIDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000161196637 232248739 /nfs/dbraw/zinc/24/87/39/232248739.db2.gz WZRVWNDVFHEKGV-CVEARBPZSA-N 1 0 292.467 3.467 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000160137303 188456937 /nfs/dbraw/zinc/45/69/37/188456937.db2.gz QIVCIKOLBWHXHU-ZIAGYGMSSA-N 1 0 269.392 3.381 20 70 CGIDRO C[N@H+](CC1CC1)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159388548 372137161 /nfs/dbraw/zinc/13/71/61/372137161.db2.gz VQJRVEMHSYMNIN-HNNXBMFYSA-N 1 0 292.810 3.177 20 70 CGIDRO CC[C@H](C(=O)NCC(C)(C)c1ccc(Cl)cc1)[NH+](C)C ZINC000159387295 372138231 /nfs/dbraw/zinc/13/82/31/372138231.db2.gz WYNOCZGMPCJLTI-CQSZACIVSA-N 1 0 296.842 3.074 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000159423170 372143189 /nfs/dbraw/zinc/14/31/89/372143189.db2.gz FKSQFPXMXDZJFE-AWEZNQCLSA-N 1 0 257.381 3.012 20 70 CGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000159503624 372150977 /nfs/dbraw/zinc/15/09/77/372150977.db2.gz VCYQTRXNBNGRJE-OLZOCXBDSA-N 1 0 295.448 3.319 20 70 CGIDRO C[C@@H](CC(=O)NCC1([NH3+])CCCCC1)c1cccc(F)c1 ZINC000159546760 372153479 /nfs/dbraw/zinc/15/34/79/372153479.db2.gz HHYLXDUXKSLMCM-ZDUSSCGKSA-N 1 0 292.398 3.097 20 70 CGIDRO Cc1ncc([C@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC000159608724 372160615 /nfs/dbraw/zinc/16/06/15/372160615.db2.gz FFGHFLCLEAAIQK-LBPRGKRZSA-N 1 0 290.455 3.053 20 70 CGIDRO C[C@@H](c1cc2ccccc2o1)[N@H+](C)CCn1ccnc1 ZINC000159688559 372169844 /nfs/dbraw/zinc/16/98/44/372169844.db2.gz RPFZJVXRWPWTLQ-ZDUSSCGKSA-N 1 0 269.348 3.322 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132504 372216903 /nfs/dbraw/zinc/21/69/03/372216903.db2.gz UPPFRQXZZUFBFH-GHMZBOCLSA-N 1 0 290.798 3.370 20 70 CGIDRO Cc1cccc([C@H](C)[NH2+]Cc2nc(C)ccc2O)c1 ZINC000160193008 372224553 /nfs/dbraw/zinc/22/45/53/372224553.db2.gz GZEZHZRZIOFHAP-ZDUSSCGKSA-N 1 0 256.349 3.255 20 70 CGIDRO Cc1cc2ccccc2nc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000160245876 372229414 /nfs/dbraw/zinc/22/94/14/372229414.db2.gz DJIHPHSCTBATIJ-HIFRSBDPSA-N 1 0 269.392 3.438 20 70 CGIDRO CCCO[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1 ZINC000160275633 372233174 /nfs/dbraw/zinc/23/31/74/372233174.db2.gz ACKFNGMXISEKHO-MRXNPFEDSA-N 1 0 287.407 3.115 20 70 CGIDRO COCCCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159831260 372184347 /nfs/dbraw/zinc/18/43/47/372184347.db2.gz WOVCQNFMTWUFRW-INIZCTEOSA-N 1 0 262.397 3.344 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908998 372192346 /nfs/dbraw/zinc/19/23/46/372192346.db2.gz GZSCWVVCGPBCPX-ZIAGYGMSSA-N 1 0 293.374 3.074 20 70 CGIDRO CCCn1c(C)nnc1C[N@H+](C)C1CCC(C)(C)CC1 ZINC000160943173 372291133 /nfs/dbraw/zinc/29/11/33/372291133.db2.gz RMWMRUGBTNAJIA-UHFFFAOYSA-N 1 0 278.444 3.397 20 70 CGIDRO C[N@H+](Cc1cnc2ccccn12)[C@@H]1CCc2ccccc2C1 ZINC000160416773 372246641 /nfs/dbraw/zinc/24/66/41/372246641.db2.gz QZPNTHWDFYLTOK-QGZVFWFLSA-N 1 0 291.398 3.324 20 70 CGIDRO COc1ccccc1/C=C/C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160438188 372248589 /nfs/dbraw/zinc/24/85/89/372248589.db2.gz YNRHOLGTXWQWRW-VFADXPBXSA-N 1 0 275.392 3.256 20 70 CGIDRO CN(C(=O)[C@]1(C)CC[NH2+]C1)c1ccc(-c2ccccc2)cc1 ZINC000161082307 372300624 /nfs/dbraw/zinc/30/06/24/372300624.db2.gz JPEXADFGXFKQRM-LJQANCHMSA-N 1 0 294.398 3.316 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccc(C(C)C)cc1 ZINC000160551180 372257817 /nfs/dbraw/zinc/25/78/17/372257817.db2.gz OBIRWSZVTBLNOK-UHFFFAOYSA-N 1 0 290.451 3.376 20 70 CGIDRO CCc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000160571378 372259697 /nfs/dbraw/zinc/25/96/97/372259697.db2.gz CKHPOKSOPSPPQK-MRXNPFEDSA-N 1 0 288.435 3.099 20 70 CGIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C1CCC(C)(C)CC1 ZINC000160654664 372266431 /nfs/dbraw/zinc/26/64/31/372266431.db2.gz JMPJPUMRWDLBRD-ZFWWWQNUSA-N 1 0 280.456 3.001 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1F ZINC000160868199 372283954 /nfs/dbraw/zinc/28/39/54/372283954.db2.gz CKPMVUVEQXOOEV-MRXNPFEDSA-N 1 0 293.361 3.372 20 70 CGIDRO CCCCN(Cc1nncn1C)[C@H](C)c1ccccc1 ZINC000160871628 372284247 /nfs/dbraw/zinc/28/42/47/372284247.db2.gz FCVYZLSVIHRDRX-CQSZACIVSA-N 1 0 272.396 3.178 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000161295022 372315028 /nfs/dbraw/zinc/31/50/28/372315028.db2.gz FXUINKBGIIXIHI-BAESOJJISA-N 1 0 294.826 3.009 20 70 CGIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)cnn1C ZINC000161312092 372315691 /nfs/dbraw/zinc/31/56/91/372315691.db2.gz HMMJTNGWEWYCQK-ZDUSSCGKSA-N 1 0 257.381 3.196 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1F ZINC000161400732 372321732 /nfs/dbraw/zinc/32/17/32/372321732.db2.gz HVIFOBSGSGRACI-HIFRSBDPSA-N 1 0 273.351 3.252 20 70 CGIDRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161471624 372326814 /nfs/dbraw/zinc/32/68/14/372326814.db2.gz ZVSFDMHWMXRMNP-ZBFHGGJFSA-N 1 0 285.387 3.122 20 70 CGIDRO CCOc1cc(Cl)ccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000161501885 372328668 /nfs/dbraw/zinc/32/86/68/372328668.db2.gz XMNHZNFAAQDCTG-JQWIXIFHSA-N 1 0 296.798 3.195 20 70 CGIDRO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161482390 372329504 /nfs/dbraw/zinc/32/95/04/372329504.db2.gz YQQBIYXUFMRHJK-UKRRQHHQSA-N 1 0 275.417 3.483 20 70 CGIDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC[C@@H]([NH3+])C1 ZINC000217485345 376174914 /nfs/dbraw/zinc/17/49/14/376174914.db2.gz OBOWQDQHJUIGLS-CMPLNLGQSA-N 1 0 288.313 3.069 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(F)ccc1F ZINC000217672761 376177459 /nfs/dbraw/zinc/17/74/59/376177459.db2.gz CKDMFKCRYLGAIE-XZJROXQQSA-N 1 0 280.362 3.242 20 70 CGIDRO CCc1ncnc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1F ZINC000217985944 376181790 /nfs/dbraw/zinc/18/17/90/376181790.db2.gz BZGIEPJTRBWKCC-LRDDRELGSA-N 1 0 294.418 3.101 20 70 CGIDRO CC[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1OC ZINC000218117937 376185067 /nfs/dbraw/zinc/18/50/67/376185067.db2.gz AGSATQVYNNLVHQ-BBWFWOEESA-N 1 0 288.435 3.363 20 70 CGIDRO c1cc2cccc(C[NH2+]C[C@@H]3Cc4ccccc4O3)c2[nH]1 ZINC000218089620 376185177 /nfs/dbraw/zinc/18/51/77/376185177.db2.gz JKSAADIVVMCOBJ-INIZCTEOSA-N 1 0 278.355 3.261 20 70 CGIDRO CSc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)cc1 ZINC000218136029 376185415 /nfs/dbraw/zinc/18/54/15/376185415.db2.gz MLLWTODQCQDGRB-UHFFFAOYSA-N 1 0 296.436 3.023 20 70 CGIDRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000159595684 542150874 /nfs/dbraw/zinc/15/08/74/542150874.db2.gz QGPBOZWJPDDPJN-OCCSQVGLSA-N 1 0 251.370 3.298 20 70 CGIDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2cccc3cccnc32)C1 ZINC000159409730 542149405 /nfs/dbraw/zinc/14/94/05/542149405.db2.gz AIELEKLITUFMAJ-DLBZAZTESA-N 1 0 284.403 3.325 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000159852119 542152124 /nfs/dbraw/zinc/15/21/24/542152124.db2.gz IDJSBQKXACYLBQ-GJZGRUSLSA-N 1 0 261.413 3.206 20 70 CGIDRO [NH3+]Cc1cccc(NC(=O)C2C3CC4CC(C3)CC2C4)c1 ZINC000160083743 542152533 /nfs/dbraw/zinc/15/25/33/542152533.db2.gz XGGJZLZWKZFRDT-UHFFFAOYSA-N 1 0 284.403 3.156 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)C1CC1 ZINC000160132391 287050517 /nfs/dbraw/zinc/05/05/17/287050517.db2.gz UPPFRQXZZUFBFH-MNOVXSKESA-N 1 0 290.798 3.370 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc21 ZINC000159854077 165472604 /nfs/dbraw/zinc/47/26/04/165472604.db2.gz PHQVGSCIUSTGAY-CQSZACIVSA-N 1 0 285.391 3.132 20 70 CGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000217909253 270085529 /nfs/dbraw/zinc/08/55/29/270085529.db2.gz GGJFKOKBPDAWLA-APHBMKBZSA-N 1 0 265.372 3.304 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)N1CCc2ccccc2C1 ZINC000159829040 274225036 /nfs/dbraw/zinc/22/50/36/274225036.db2.gz JXGOXZHNKCTKGK-GJZGRUSLSA-N 1 0 272.436 3.211 20 70 CGIDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160475752 281270748 /nfs/dbraw/zinc/27/07/48/281270748.db2.gz SPVWKOPEAJEUIS-COXVUDFISA-N 1 0 259.393 3.123 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000159687622 302196126 /nfs/dbraw/zinc/19/61/26/302196126.db2.gz FOTRFUYDDSBBKO-DPAVQSFQSA-N 1 0 288.435 3.326 20 70 CGIDRO CCCCOc1cccc(NC(=O)[C@@H](CC)[NH+](C)C)c1 ZINC000161067418 321861891 /nfs/dbraw/zinc/86/18/91/321861891.db2.gz JZWOGLKDBOQQRX-OAHLLOKOSA-N 1 0 278.396 3.144 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@H]2CCc3ccccc32)n1 ZINC000160776610 519902735 /nfs/dbraw/zinc/90/27/35/519902735.db2.gz IORFQWSRBXBTIC-HNNXBMFYSA-N 1 0 285.391 3.403 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000159389630 521724817 /nfs/dbraw/zinc/72/48/17/521724817.db2.gz PLOSILGSXVRRFR-REWJHTLYSA-N 1 0 257.443 3.065 20 70 CGIDRO CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000160551538 522481059 /nfs/dbraw/zinc/48/10/59/522481059.db2.gz FJQFYMXFLKGGTG-BZPMIXESSA-N 1 0 294.464 3.224 20 70 CGIDRO COCCN(C)CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000159389545 523612623 /nfs/dbraw/zinc/61/26/23/523612623.db2.gz SXAJBVYUQLPQMK-CQSZACIVSA-N 1 0 284.469 3.003 20 70 CGIDRO CC[C@@](C)(NCCC[NH+]1CCCCC1)c1nccs1 ZINC000161433537 523657780 /nfs/dbraw/zinc/65/77/80/523657780.db2.gz ZKXWHELOLMELNX-OAHLLOKOSA-N 1 0 281.469 3.234 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)s1 ZINC000160409557 524047674 /nfs/dbraw/zinc/04/76/74/524047674.db2.gz LQIXCQWRSPEUQE-WDEREUQCSA-N 1 0 273.467 3.075 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)C1(C)CC1)N(C)Cc1ccccc1 ZINC000160884138 524499753 /nfs/dbraw/zinc/49/97/53/524499753.db2.gz BHLILOHZNXTQLV-HUUCEWRRSA-N 1 0 260.425 3.285 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CCOCC1 ZINC000161008568 525485987 /nfs/dbraw/zinc/48/59/87/525485987.db2.gz NVQKNRUSFWQHBB-CJNGLKHVSA-N 1 0 259.393 3.121 20 70 CGIDRO CSCC[C@H](C)[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160508364 525564863 /nfs/dbraw/zinc/56/48/63/525564863.db2.gz JGUCFRIPSKBDEY-LBPRGKRZSA-N 1 0 277.437 3.216 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019829 525637634 /nfs/dbraw/zinc/63/76/34/525637634.db2.gz HASNSYCWBQBDHU-BNOWGMLFSA-N 1 0 282.378 3.488 20 70 CGIDRO Fc1cc(Cl)ccc1CN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000160715238 526301542 /nfs/dbraw/zinc/30/15/42/526301542.db2.gz WSHYMKYYPAIJKK-LSDHHAIUSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+](C(C)C)C1CCC1 ZINC000160566940 527175290 /nfs/dbraw/zinc/17/52/90/527175290.db2.gz GTMVVCQLQUNMLT-UHFFFAOYSA-N 1 0 257.381 3.406 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC(C)(C)C1 ZINC000160384255 527177293 /nfs/dbraw/zinc/17/72/93/527177293.db2.gz GYHYYKXVGJDWRZ-UHFFFAOYSA-N 1 0 257.381 3.265 20 70 CGIDRO CC(C)Cn1ncnc1C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000160365465 528763365 /nfs/dbraw/zinc/76/33/65/528763365.db2.gz YFODZGJWBNVBLG-LSDHHAIUSA-N 1 0 278.444 3.239 20 70 CGIDRO C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159637808 346168798 /nfs/dbraw/zinc/16/87/98/346168798.db2.gz RLEFUELRIVHNNW-AGIUHOORSA-N 1 0 280.412 3.126 20 70 CGIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2ccncc2)C[C@H]1OC ZINC000160102334 282455116 /nfs/dbraw/zinc/45/51/16/282455116.db2.gz CKXOETHGQDDVAP-NWANDNLSSA-N 1 0 262.397 3.326 20 70 CGIDRO c1cnc2ccc(C[NH2+][C@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2c1 ZINC000159478414 188427700 /nfs/dbraw/zinc/42/77/00/188427700.db2.gz YAPOJXIEQDOQEW-NJAFHUGGSA-N 1 0 294.398 3.282 20 70 CGIDRO Cc1cccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000160187807 188459226 /nfs/dbraw/zinc/45/92/26/188459226.db2.gz BLCMZPHUZURCFN-HNKHHVNMSA-N 1 0 259.393 3.459 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@@H]3CCc4ccccc43)cn21 ZINC000160301109 188464481 /nfs/dbraw/zinc/46/44/81/188464481.db2.gz WWMZZAIRFQUJFR-QGZVFWFLSA-N 1 0 277.371 3.420 20 70 CGIDRO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000160763050 188490070 /nfs/dbraw/zinc/49/00/70/188490070.db2.gz WBBFIBXCEMNCEU-CVEARBPZSA-N 1 0 288.435 3.001 20 70 CGIDRO c1coc(C[N@@H+](CCOCC2CC2)C2CCCC2)c1 ZINC000159369044 372135924 /nfs/dbraw/zinc/13/59/24/372135924.db2.gz PKYVAGFKTYMVFO-UHFFFAOYSA-N 1 0 263.381 3.451 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000159423254 372143274 /nfs/dbraw/zinc/14/32/74/372143274.db2.gz NFABLRGULXMWNQ-BBRMVZONSA-N 1 0 271.445 3.109 20 70 CGIDRO c1cnc2c(c1)cccc2C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159541165 372153843 /nfs/dbraw/zinc/15/38/43/372153843.db2.gz PBTNIFNJNDYMIP-NXHRZFHOSA-N 1 0 294.398 3.282 20 70 CGIDRO c1ccc2c(c1)C=C(C[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCC3)CO2 ZINC000159558693 372155105 /nfs/dbraw/zinc/15/51/05/372155105.db2.gz BEZYUXJZLKTFCM-NXHRZFHOSA-N 1 0 297.398 3.010 20 70 CGIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159693819 372169507 /nfs/dbraw/zinc/16/95/07/372169507.db2.gz WXYLECHYZVPIEA-WBVHZDCISA-N 1 0 288.435 3.198 20 70 CGIDRO CC1(C)Cc2cccc(C[N@@H+]3CCCC[C@H]3CCO)c2O1 ZINC000159720272 372171947 /nfs/dbraw/zinc/17/19/47/372171947.db2.gz MSTYRFMFDMFMLK-INIZCTEOSA-N 1 0 289.419 3.137 20 70 CGIDRO C[C@@H]([NH2+]CCO)c1ccc(Oc2ccccc2)cc1 ZINC000159704931 372172596 /nfs/dbraw/zinc/17/25/96/372172596.db2.gz HNTVWMBREBQIPY-CYBMUJFWSA-N 1 0 257.333 3.122 20 70 CGIDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)C1(C)CC1 ZINC000160090165 372211167 /nfs/dbraw/zinc/21/11/67/372211167.db2.gz MATVRJGBSIBKQI-SNVBAGLBSA-N 1 0 255.308 3.122 20 70 CGIDRO CC1(C)CCCC[C@H]1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160133398 372216239 /nfs/dbraw/zinc/21/62/39/372216239.db2.gz XLFABQJVMFXJTB-CABCVRRESA-N 1 0 292.467 3.193 20 70 CGIDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C)c1ccco1 ZINC000160203408 372224622 /nfs/dbraw/zinc/22/46/22/372224622.db2.gz JYMNWOUKGRPDQF-ZOBUZTSGSA-N 1 0 284.403 3.451 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CCC1 ZINC000160216085 372226644 /nfs/dbraw/zinc/22/66/44/372226644.db2.gz IFLKJHUDSNBEMC-DOMZBBRYSA-N 1 0 290.382 3.099 20 70 CGIDRO C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1ccnc1 ZINC000159836289 372185147 /nfs/dbraw/zinc/18/51/47/372185147.db2.gz QZRULECNEIFAHU-ZDUSSCGKSA-N 1 0 277.799 3.100 20 70 CGIDRO C[C@](O)(C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159872090 372189178 /nfs/dbraw/zinc/18/91/78/372189178.db2.gz HVZAXYVJBWLNFH-HOTGVXAUSA-N 1 0 291.391 3.372 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000159873516 372191176 /nfs/dbraw/zinc/19/11/76/372191176.db2.gz JGNYSNGCSVPVJR-UHFFFAOYSA-N 1 0 287.407 3.279 20 70 CGIDRO COC[C@H]([NH2+]Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000159874697 372191365 /nfs/dbraw/zinc/19/13/65/372191365.db2.gz COVYIUIAHDMJPH-SFHVURJKSA-N 1 0 299.418 3.004 20 70 CGIDRO COc1cc(C[NH2+]Cc2cscc2C)cc2c1OCO2 ZINC000159908942 372193026 /nfs/dbraw/zinc/19/30/26/372193026.db2.gz YHQHPFQVAULILQ-UHFFFAOYSA-N 1 0 291.372 3.084 20 70 CGIDRO C[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000159916439 372193212 /nfs/dbraw/zinc/19/32/12/372193212.db2.gz VMBBTFJKJTZVOU-VIFPVBQESA-N 1 0 294.196 3.310 20 70 CGIDRO C[C@H](CCc1ccco1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159976902 372199992 /nfs/dbraw/zinc/19/99/92/372199992.db2.gz RNXVBQCPRHBCIN-IUODEOHRSA-N 1 0 279.405 3.160 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](COC)C(C)C)cc1OC ZINC000159970232 372200557 /nfs/dbraw/zinc/20/05/57/372200557.db2.gz LKIGMUXSXJRFAQ-ZFWWWQNUSA-N 1 0 295.423 3.416 20 70 CGIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160039926 372206389 /nfs/dbraw/zinc/20/63/89/372206389.db2.gz GPRJTOSUJBEQEA-OLZOCXBDSA-N 1 0 250.386 3.393 20 70 CGIDRO Cc1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)s1 ZINC000160920745 372289293 /nfs/dbraw/zinc/28/92/93/372289293.db2.gz BBOFMLSVXWXNCG-SNVBAGLBSA-N 1 0 261.394 3.314 20 70 CGIDRO CC[C@H](C)[C@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160932323 372289467 /nfs/dbraw/zinc/28/94/67/372289467.db2.gz KYWHOEMYZXTCMS-GJZGRUSLSA-N 1 0 297.487 3.184 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CCCCCCC1 ZINC000160956865 372290691 /nfs/dbraw/zinc/29/06/91/372290691.db2.gz FHKSFLMQDCYLPF-OAHLLOKOSA-N 1 0 274.408 3.455 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCc2ccccc21 ZINC000161005878 372294792 /nfs/dbraw/zinc/29/47/92/372294792.db2.gz NCABOFDQVJZGCC-WMLDXEAASA-N 1 0 281.403 3.117 20 70 CGIDRO C[N@H+](Cc1cccc(F)c1)Cc1cccc2c[nH]nc21 ZINC000160461965 372249458 /nfs/dbraw/zinc/24/94/58/372249458.db2.gz TZXJDGLKCHICQQ-UHFFFAOYSA-N 1 0 269.323 3.334 20 70 CGIDRO CC1(C)C[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160492013 372251172 /nfs/dbraw/zinc/25/11/72/372251172.db2.gz LBYZLFHXAJKVRR-INIZCTEOSA-N 1 0 292.467 3.147 20 70 CGIDRO CCCC1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000160562814 372257614 /nfs/dbraw/zinc/25/76/14/372257614.db2.gz LDLWXUUUGIHSTG-UHFFFAOYSA-N 1 0 274.408 3.058 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CCO1 ZINC000160632457 372264042 /nfs/dbraw/zinc/26/40/42/372264042.db2.gz RPVUZJHVYUFHAS-SNVBAGLBSA-N 1 0 273.298 3.151 20 70 CGIDRO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000160762906 372273767 /nfs/dbraw/zinc/27/37/67/372273767.db2.gz WBBFIBXCEMNCEU-JKSUJKDBSA-N 1 0 288.435 3.001 20 70 CGIDRO C[C@H]1C[C@H]([NH2+]CCOc2cccc3ccccc32)CCN1C ZINC000160811345 372277521 /nfs/dbraw/zinc/27/75/21/372277521.db2.gz HWCOVEHGGDJEHN-DOTOQJQBSA-N 1 0 298.430 3.291 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@@H](C(C)C)C2CC2)n1 ZINC000160823444 372279261 /nfs/dbraw/zinc/27/92/61/372279261.db2.gz GYGXUSMCXOLESL-AWEZNQCLSA-N 1 0 265.401 3.150 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862133 372282884 /nfs/dbraw/zinc/28/28/84/372282884.db2.gz DRPAJBUKHALZNH-KGLIPLIRSA-N 1 0 289.448 3.314 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(-c2ccccc2)o1 ZINC000161193058 372309529 /nfs/dbraw/zinc/30/95/29/372309529.db2.gz OSAPIPLUQFYLTB-UHFFFAOYSA-N 1 0 259.349 3.151 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(Cl)c(OC)cc1Cl ZINC000161236893 372311554 /nfs/dbraw/zinc/31/15/54/372311554.db2.gz PHHAIEMYNFYEMY-UHFFFAOYSA-N 1 0 292.206 3.206 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000161414411 372321041 /nfs/dbraw/zinc/32/10/41/372321041.db2.gz HZSPUWKXQZLRID-ZBFHGGJFSA-N 1 0 295.448 3.019 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000161454886 372325833 /nfs/dbraw/zinc/32/58/33/372325833.db2.gz IXQVOHXRHZDMOZ-YNEHKIRRSA-N 1 0 296.842 3.146 20 70 CGIDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161459571 372327925 /nfs/dbraw/zinc/32/79/25/372327925.db2.gz JQNUAWGWIUYOBQ-DOTOQJQBSA-N 1 0 261.409 3.487 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)cc1F ZINC000217658814 376175987 /nfs/dbraw/zinc/17/59/87/376175987.db2.gz MNDHLVASQINRJO-UVBJJODRSA-N 1 0 280.362 3.242 20 70 CGIDRO CCC[N@H+](CC)CCN[C@H]1CCCc2ccc(O)cc21 ZINC000217667265 376176471 /nfs/dbraw/zinc/17/64/71/376176471.db2.gz LVOMQGVXOSQHNP-KRWDZBQOSA-N 1 0 276.424 3.091 20 70 CGIDRO CCC[N@H+](CC)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217667178 376178033 /nfs/dbraw/zinc/17/80/33/376178033.db2.gz LVOMQGVXOSQHNP-QGZVFWFLSA-N 1 0 276.424 3.091 20 70 CGIDRO c1cc2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2[nH]1 ZINC000218063127 376182977 /nfs/dbraw/zinc/18/29/77/376182977.db2.gz NZFSQAZLIZGYPV-UHFFFAOYSA-N 1 0 280.327 3.186 20 70 CGIDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(F)c(OC)c1 ZINC000218248677 376187556 /nfs/dbraw/zinc/18/75/56/376187556.db2.gz UTNIBJGCMXHQTE-IAQYHMDHSA-N 1 0 269.360 3.036 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(N(C)C)nc2)cc1 ZINC000160641159 542154741 /nfs/dbraw/zinc/15/47/41/542154741.db2.gz JXEZDCUGTPRVRV-UHFFFAOYSA-N 1 0 269.392 3.088 20 70 CGIDRO C[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160868007 542155711 /nfs/dbraw/zinc/15/57/11/542155711.db2.gz PPMOFXBYUXIAKP-HZMBPMFUSA-N 1 0 253.773 3.104 20 70 CGIDRO [NH3+]CC1(NC(=O)c2cc3ccc(F)cc3s2)CCCC1 ZINC000161204734 542157935 /nfs/dbraw/zinc/15/79/35/542157935.db2.gz NUOWGZCNGHAWPH-UHFFFAOYSA-N 1 0 292.379 3.042 20 70 CGIDRO C[N@@H+]1CCN(Cc2ccccc2F)[C@@H](c2ccccc2)C1 ZINC000216730933 392992963 /nfs/dbraw/zinc/99/29/63/392992963.db2.gz JXDRQYGBPXSZIZ-GOSISDBHSA-N 1 0 284.378 3.314 20 70 CGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000217951606 285648478 /nfs/dbraw/zinc/64/84/78/285648478.db2.gz HQMQUNBVDHUSKB-JCURWCKSSA-N 1 0 290.407 3.253 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(F)cc1N(C)C ZINC000159623066 287067983 /nfs/dbraw/zinc/06/79/83/287067983.db2.gz LIWNNUSKPUBIRU-YPMHNXCESA-N 1 0 282.428 3.438 20 70 CGIDRO CCc1ccc([C@H](CC)[NH2+][C@H](CCO)CSC)cc1 ZINC000160258814 165475152 /nfs/dbraw/zinc/47/51/52/165475152.db2.gz GNGRHKIVAAAPLY-CVEARBPZSA-N 1 0 281.465 3.404 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC000217377436 270085289 /nfs/dbraw/zinc/08/52/89/270085289.db2.gz KQXWMMFQBAINOT-MRXNPFEDSA-N 1 0 262.441 3.432 20 70 CGIDRO CCN1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876260 270085614 /nfs/dbraw/zinc/08/56/14/270085614.db2.gz HRRWYGIRLRYLBF-IRXDYDNUSA-N 1 0 260.425 3.458 20 70 CGIDRO CCN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)C(C)C ZINC000160901887 279004018 /nfs/dbraw/zinc/00/40/18/279004018.db2.gz DBUKXXIQKBQLMS-CABCVRRESA-N 1 0 295.471 3.079 20 70 CGIDRO CC[C@@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160772345 280193240 /nfs/dbraw/zinc/19/32/40/280193240.db2.gz ZPBDHNKZSDDLTN-SJORKVTESA-N 1 0 286.419 3.128 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1c(C)cccc1C)[C@@H]1CCOC1 ZINC000160277854 321849810 /nfs/dbraw/zinc/84/98/10/321849810.db2.gz MPUCYLAILQVNBC-HZPDHXFCSA-N 1 0 277.408 3.087 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)c3cccnc23)CCO1 ZINC000160532004 321853172 /nfs/dbraw/zinc/85/31/72/321853172.db2.gz VKZJZKFNDJQTDV-ZDUSSCGKSA-N 1 0 288.366 3.421 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160572636 321853747 /nfs/dbraw/zinc/85/37/47/321853747.db2.gz XROTXJYZPHPOHX-JKSUJKDBSA-N 1 0 290.451 3.043 20 70 CGIDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160615353 321855153 /nfs/dbraw/zinc/85/51/53/321855153.db2.gz AXSBDBSICIXUEN-NFAHFFEMSA-N 1 0 291.435 3.323 20 70 CGIDRO COC[C@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160836362 321858964 /nfs/dbraw/zinc/85/89/64/321858964.db2.gz XNXDBTRXWYSOFJ-UONOGXRCSA-N 1 0 280.412 3.020 20 70 CGIDRO CC(C)n1cccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000160906279 321860194 /nfs/dbraw/zinc/86/01/94/321860194.db2.gz CGTXRFVMQFTLGV-UHFFFAOYSA-N 1 0 291.439 3.063 20 70 CGIDRO C[C@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000160121714 533809740 /nfs/dbraw/zinc/80/97/40/533809740.db2.gz YWAWCFSNHFWLNK-AWEZNQCLSA-N 1 0 290.426 3.221 20 70 CGIDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC(C)(C)O ZINC000160625451 533984817 /nfs/dbraw/zinc/98/48/17/533984817.db2.gz PYMJNUXPTFPPDH-LLVKDONJSA-N 1 0 289.341 3.387 20 70 CGIDRO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000161268040 523495442 /nfs/dbraw/zinc/49/54/42/523495442.db2.gz XLEPPQLKAQLLCZ-SJORKVTESA-N 1 0 276.424 3.051 20 70 CGIDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC000161447493 524037956 /nfs/dbraw/zinc/03/79/56/524037956.db2.gz DWQFSSQNMJAIFQ-HIFRSBDPSA-N 1 0 295.810 3.350 20 70 CGIDRO CCc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141509 524047051 /nfs/dbraw/zinc/04/70/51/524047051.db2.gz VOKWHUBYCHUZIT-MJBXVCDLSA-N 1 0 264.413 3.365 20 70 CGIDRO C[C@H](CNCc1ccc(Cl)cc1F)C[NH+]1CCCC1 ZINC000160820393 524488121 /nfs/dbraw/zinc/48/81/21/524488121.db2.gz KQMCGUQBUIGPDL-GFCCVEGCSA-N 1 0 284.806 3.301 20 70 CGIDRO COc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016336 525160683 /nfs/dbraw/zinc/16/06/83/525160683.db2.gz YQRBXJWLMRNFDO-MCIONIFRSA-N 1 0 294.414 3.358 20 70 CGIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cncs1 ZINC000160473665 525402266 /nfs/dbraw/zinc/40/22/66/525402266.db2.gz DXBTYDVUBOZHMX-GFCCVEGCSA-N 1 0 279.453 3.201 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000159669148 525414652 /nfs/dbraw/zinc/41/46/52/525414652.db2.gz JNZRPXWCOAVQNW-JKSUJKDBSA-N 1 0 277.408 3.089 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000159685988 525417144 /nfs/dbraw/zinc/41/71/44/525417144.db2.gz QNRQSIJFVYAWBC-HOTGVXAUSA-N 1 0 298.434 3.048 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)cc(F)c1 ZINC000161080181 525679617 /nfs/dbraw/zinc/67/96/17/525679617.db2.gz JITPDQUFQWLWEL-RLCCDNCMSA-N 1 0 282.378 3.488 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161469354 529689819 /nfs/dbraw/zinc/68/98/19/529689819.db2.gz SASPPOVQAUDPIC-AWEZNQCLSA-N 1 0 299.418 3.003 20 70 CGIDRO [NH3+]C1(CNC(=O)CCc2cccc(Cl)c2)CCCCC1 ZINC000159489498 346168085 /nfs/dbraw/zinc/16/80/85/346168085.db2.gz LEDUFWWDMDREKA-UHFFFAOYSA-N 1 0 294.826 3.050 20 70 CGIDRO CCSCC[C@@H](C)[NH2+]Cc1cnc2ccccc2n1 ZINC000160069041 346170172 /nfs/dbraw/zinc/17/01/72/346170172.db2.gz VXTFPKIYBOIUSH-GFCCVEGCSA-N 1 0 275.421 3.251 20 70 CGIDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000160495648 346170881 /nfs/dbraw/zinc/17/08/81/346170881.db2.gz YTTUAXRVQCSIQX-KBPBESRZSA-N 1 0 289.485 3.006 20 70 CGIDRO CCS(=O)(=O)CCC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000160495883 346170984 /nfs/dbraw/zinc/17/09/84/346170984.db2.gz YTTUAXRVQCSIQX-KGLIPLIRSA-N 1 0 289.485 3.006 20 70 CGIDRO CC(C)[NH2+]CCC(=O)Nc1ccccc1OC(C)(C)C ZINC000160945397 346173743 /nfs/dbraw/zinc/17/37/43/346173743.db2.gz KMEMOZJVYMUKOV-UHFFFAOYSA-N 1 0 278.396 3.191 20 70 CGIDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccccc1Cl ZINC000217813734 346291683 /nfs/dbraw/zinc/29/16/83/346291683.db2.gz DBDNBHVRMKAGAO-BETUJISGSA-N 1 0 263.768 3.078 20 70 CGIDRO CCOC(CC[NH2+][C@@H](C)c1cccc(C)c1)OCC ZINC000160241318 188461068 /nfs/dbraw/zinc/46/10/68/188461068.db2.gz FDROERNPOPMYPM-AWEZNQCLSA-N 1 0 265.397 3.435 20 70 CGIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1cccnc1 ZINC000218075127 138493000 /nfs/dbraw/zinc/49/30/00/138493000.db2.gz VOFPRPURJAZXOW-LBPRGKRZSA-N 1 0 251.333 3.414 20 70 CGIDRO C[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1ccccn1 ZINC000159377413 372138096 /nfs/dbraw/zinc/13/80/96/372138096.db2.gz UCBLYRJPGTVDDL-LLVKDONJSA-N 1 0 261.756 3.023 20 70 CGIDRO Cc1cccc(CC[NH2+]Cc2cccc3c2NCC3)c1 ZINC000159405609 372139835 /nfs/dbraw/zinc/13/98/35/372139835.db2.gz ABERZZIPZPGWOX-UHFFFAOYSA-N 1 0 266.388 3.295 20 70 CGIDRO CSc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159477222 372147977 /nfs/dbraw/zinc/14/79/77/372147977.db2.gz JZDBZMMZYIOQDX-OAGGEKHMSA-N 1 0 289.444 3.456 20 70 CGIDRO CC(C)C[C@@H]([NH2+]CCO)c1cccc(C(F)(F)F)c1 ZINC000159684317 372167602 /nfs/dbraw/zinc/16/76/02/372167602.db2.gz NIFOUBYWFJGKJA-CYBMUJFWSA-N 1 0 275.314 3.375 20 70 CGIDRO C[C@@H]1CCC[C@H](C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000159716838 372172002 /nfs/dbraw/zinc/17/20/02/372172002.db2.gz FICARLJCDKSFRB-PBHICJAKSA-N 1 0 288.435 3.191 20 70 CGIDRO Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159757263 372176040 /nfs/dbraw/zinc/17/60/40/372176040.db2.gz RRMXCRUFBZDPIR-UHFFFAOYSA-N 1 0 286.375 3.133 20 70 CGIDRO [NH3+]C1(CNC(=O)c2cc3c(s2)CCCC3)CCCCC1 ZINC000159744512 372176360 /nfs/dbraw/zinc/17/63/60/372176360.db2.gz NSFHOKHFAANCIB-UHFFFAOYSA-N 1 0 292.448 3.018 20 70 CGIDRO CN(Cc1ncc(-c2ccccc2)s1)[C@H]1CCOC1 ZINC000160067047 372208225 /nfs/dbraw/zinc/20/82/25/372208225.db2.gz VZQYDMHDRZVBTM-ZDUSSCGKSA-N 1 0 274.389 3.031 20 70 CGIDRO COc1cc(C2(C(=O)Nc3ccnc(C)c3)CC2)ccc1C ZINC000160065588 372208339 /nfs/dbraw/zinc/20/83/39/372208339.db2.gz SVHWDALEAUNBHP-UHFFFAOYSA-N 1 0 296.370 3.377 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cn1 ZINC000160096118 372212022 /nfs/dbraw/zinc/21/20/22/372212022.db2.gz IGOHZBRVVPROAM-AWEZNQCLSA-N 1 0 292.423 3.305 20 70 CGIDRO CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160133016 372217165 /nfs/dbraw/zinc/21/71/65/372217165.db2.gz XLFABQJVMFXJTB-LSDHHAIUSA-N 1 0 292.467 3.193 20 70 CGIDRO Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212835 372225579 /nfs/dbraw/zinc/22/55/79/372225579.db2.gz SJPKGPYFKXHQQB-GUYCJALGSA-N 1 0 296.418 3.026 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1cnn(C)c1 ZINC000160250816 372229506 /nfs/dbraw/zinc/22/95/06/372229506.db2.gz YQUZFZBMKHDMAY-OAHLLOKOSA-N 1 0 293.798 3.193 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000160323698 372237800 /nfs/dbraw/zinc/23/78/00/372237800.db2.gz WAJUSBUXIMPIAP-HIFRSBDPSA-N 1 0 297.464 3.238 20 70 CGIDRO COCCOCCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000159908311 372192858 /nfs/dbraw/zinc/19/28/58/372192858.db2.gz LHAYBWLMNZBFIR-WYMLVPIESA-N 1 0 297.826 3.386 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952598 372198580 /nfs/dbraw/zinc/19/85/80/372198580.db2.gz LBGFUWGIIPWTGO-RYUDHWBXSA-N 1 0 281.371 3.443 20 70 CGIDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160014249 372204780 /nfs/dbraw/zinc/20/47/80/372204780.db2.gz JHEIASYAXTUVBF-WBMJQRKESA-N 1 0 293.407 3.316 20 70 CGIDRO Cc1c(NC(=O)C[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000160988698 372292740 /nfs/dbraw/zinc/29/27/40/372292740.db2.gz YKWVSPGCLJIMOI-LLVKDONJSA-N 1 0 278.421 3.016 20 70 CGIDRO CCC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccccc1 ZINC000160476011 372250462 /nfs/dbraw/zinc/25/04/62/372250462.db2.gz BOUKTOXQYDYCCZ-UHFFFAOYSA-N 1 0 299.418 3.129 20 70 CGIDRO Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000160721019 372271124 /nfs/dbraw/zinc/27/11/24/372271124.db2.gz ZKQASOMWHLUKJW-HLLBOEOZSA-N 1 0 286.419 3.094 20 70 CGIDRO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000160855644 372283018 /nfs/dbraw/zinc/28/30/18/372283018.db2.gz ACBQGRXIMKGRGS-UHFFFAOYSA-N 1 0 272.348 3.178 20 70 CGIDRO Cc1ccc(CN(C)Cc2cnc3c(C)cccn23)o1 ZINC000160864358 372284166 /nfs/dbraw/zinc/28/41/66/372284166.db2.gz AZBPFRDQVCUZQA-UHFFFAOYSA-N 1 0 269.348 3.176 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccccc1OC1CCCC1 ZINC000161198002 372309034 /nfs/dbraw/zinc/30/90/34/372309034.db2.gz CHLQEIMHHFGLGP-UHFFFAOYSA-N 1 0 277.408 3.212 20 70 CGIDRO CCCC[NH+]1CCC(NCc2cc(F)cc(F)c2)CC1 ZINC000161242953 372312960 /nfs/dbraw/zinc/31/29/60/372312960.db2.gz AXCZENIYNKDSNR-UHFFFAOYSA-N 1 0 282.378 3.319 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000161433367 372323138 /nfs/dbraw/zinc/32/31/38/372323138.db2.gz KONUQQJQHLLILA-CMPLNLGQSA-N 1 0 289.345 3.497 20 70 CGIDRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161490645 372329516 /nfs/dbraw/zinc/32/95/16/372329516.db2.gz FXHQZZHRPUIBPW-ZFWWWQNUSA-N 1 0 281.465 3.272 20 70 CGIDRO CCc1ccc(CNCc2ccn(C(C)C)n2)cc1 ZINC000217823261 376179409 /nfs/dbraw/zinc/17/94/09/376179409.db2.gz XRPFPDGXWDFFGB-UHFFFAOYSA-N 1 0 257.381 3.316 20 70 CGIDRO CC(C)(C)OC(=O)NCC[NH2+]Cc1cc2ccccc2o1 ZINC000218128487 376185109 /nfs/dbraw/zinc/18/51/09/376185109.db2.gz CMWCFBNWCJAVGC-UHFFFAOYSA-N 1 0 290.363 3.047 20 70 CGIDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@@H](OC)C2(C)C)ccc1F ZINC000218267018 376187498 /nfs/dbraw/zinc/18/74/98/376187498.db2.gz BWMHXVXQXWABQY-NZVBXONLSA-N 1 0 281.371 3.298 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000159981292 542152128 /nfs/dbraw/zinc/15/21/28/542152128.db2.gz QQZFCUAOOZJCAP-MRXNPFEDSA-N 1 0 255.365 3.070 20 70 CGIDRO CCCn1nccc1C[NH2+]C[C@H](C)c1ccccc1 ZINC000159983650 542151671 /nfs/dbraw/zinc/15/16/71/542151671.db2.gz DTEXBDFRZFFVMZ-AWEZNQCLSA-N 1 0 257.381 3.186 20 70 CGIDRO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@@H]1[NH3+] ZINC000160237488 542154432 /nfs/dbraw/zinc/15/44/32/542154432.db2.gz SEBSZUSHLDAIHI-JJTUDDRGSA-N 1 0 292.467 3.179 20 70 CGIDRO CCCOc1cccc(CNCC[N@H+](C)[C@@H](C)CC)c1 ZINC000217397230 392993934 /nfs/dbraw/zinc/99/39/34/392993934.db2.gz GLIWPXVZIIVNGD-HNNXBMFYSA-N 1 0 278.440 3.295 20 70 CGIDRO CCOCCC[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000159550507 286056363 /nfs/dbraw/zinc/05/63/63/286056363.db2.gz GOKBEABJTDMSIE-QGZVFWFLSA-N 1 0 277.408 3.094 20 70 CGIDRO c1ccc2nc(N3CCC[C@H]3C[NH+]3CCCCC3)cnc2c1 ZINC000160437363 296628308 /nfs/dbraw/zinc/62/83/08/296628308.db2.gz AKGRDDODWUYIGO-HNNXBMFYSA-N 1 0 296.418 3.085 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000161172178 276366478 /nfs/dbraw/zinc/36/64/78/276366478.db2.gz WXMHBYPVRRBNJZ-MAUKXSAKSA-N 1 0 288.435 3.147 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159934937 278373429 /nfs/dbraw/zinc/37/34/29/278373429.db2.gz GRMKFTXSBIVWQK-CHWSQXEVSA-N 1 0 287.407 3.182 20 70 CGIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H](C)C(C)C ZINC000160901496 279003446 /nfs/dbraw/zinc/00/34/46/279003446.db2.gz DBUKXXIQKBQLMS-LSDHHAIUSA-N 1 0 295.471 3.079 20 70 CGIDRO C[C@H]1CC[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000159547924 279760356 /nfs/dbraw/zinc/76/03/56/279760356.db2.gz GKAZKGFVJFSAKM-YOEHRIQHSA-N 1 0 286.419 3.227 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCn2ccnc2)C1 ZINC000159838690 281375331 /nfs/dbraw/zinc/37/53/31/281375331.db2.gz HHKRLIPLENNQRG-JKSUJKDBSA-N 1 0 269.392 3.070 20 70 CGIDRO Cc1ccc([C@H]2CCCCN2C(=O)CC[NH2+]C(C)C)cc1 ZINC000159912913 321843310 /nfs/dbraw/zinc/84/33/10/321843310.db2.gz FPAYNZXLWCHXIE-QGZVFWFLSA-N 1 0 288.435 3.437 20 70 CGIDRO C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160615244 321855111 /nfs/dbraw/zinc/85/51/11/321855111.db2.gz AXSBDBSICIXUEN-LLYBFZRZSA-N 1 0 291.435 3.323 20 70 CGIDRO Brc1cncc(C[NH2+]Cc2ccsc2)c1 ZINC000160575699 518230239 /nfs/dbraw/zinc/23/02/39/518230239.db2.gz BLLJZPXUGYRFRI-UHFFFAOYSA-N 1 0 283.194 3.195 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160763276 521820440 /nfs/dbraw/zinc/82/04/40/521820440.db2.gz NUOXPPWNMDAHAT-NWDGAFQWSA-N 1 0 253.390 3.150 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000161412832 523195845 /nfs/dbraw/zinc/19/58/45/523195845.db2.gz DRJMBMAGCKWTIR-SJORKVTESA-N 1 0 288.435 3.203 20 70 CGIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C1CCOCC1 ZINC000161382635 525424395 /nfs/dbraw/zinc/42/43/95/525424395.db2.gz HLWBIRDDLQNQLJ-CYBMUJFWSA-N 1 0 277.383 3.262 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160789951 526609101 /nfs/dbraw/zinc/60/91/01/526609101.db2.gz DNNSBZOSINGDGH-ZFWWWQNUSA-N 1 0 255.365 3.099 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000160878591 527178030 /nfs/dbraw/zinc/17/80/30/527178030.db2.gz QMSXHZACWIOBED-HNNXBMFYSA-N 1 0 289.448 3.216 20 70 CGIDRO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160927178 527404609 /nfs/dbraw/zinc/40/46/09/527404609.db2.gz NXSHJZPUHIOULT-KRWDZBQOSA-N 1 0 294.402 3.400 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000161269569 527650105 /nfs/dbraw/zinc/65/01/05/527650105.db2.gz QRWVKLUXSQTXCL-HZPDHXFCSA-N 1 0 280.456 3.179 20 70 CGIDRO Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161063438 572337706 /nfs/dbraw/zinc/33/77/06/572337706.db2.gz MSWIBFBJDRVHHY-CHWSQXEVSA-N 1 0 286.375 3.049 20 70 CGIDRO Cc1ccc(C)c([C@@H](C)N(C)C(=O)CC2CC[NH2+]CC2)c1 ZINC000159967173 232242369 /nfs/dbraw/zinc/24/23/69/232242369.db2.gz BHRJGAHXTAPZKH-OAHLLOKOSA-N 1 0 288.435 3.213 20 70 CGIDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000161196765 232249043 /nfs/dbraw/zinc/24/90/43/232249043.db2.gz WZRVWNDVFHEKGV-HZPDHXFCSA-N 1 0 292.467 3.467 20 70 CGIDRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC000159629053 346167548 /nfs/dbraw/zinc/16/75/48/346167548.db2.gz LCHUMCWPYMVVHE-ZDUSSCGKSA-N 1 0 294.464 3.232 20 70 CGIDRO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2C)C(C)C)cc1 ZINC000159638844 346168426 /nfs/dbraw/zinc/16/84/26/346168426.db2.gz RENJWQCOJWCJRR-KRWDZBQOSA-N 1 0 287.407 3.224 20 70 CGIDRO CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160931456 346173890 /nfs/dbraw/zinc/17/38/90/346173890.db2.gz LOFGHUJZBDEBGO-CZUORRHYSA-N 1 0 299.361 3.201 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc21 ZINC000159851535 188444648 /nfs/dbraw/zinc/44/46/48/188444648.db2.gz SUDUIBRIYWTBPN-ZIAGYGMSSA-N 1 0 285.391 3.117 20 70 CGIDRO C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160052600 188452451 /nfs/dbraw/zinc/45/24/51/188452451.db2.gz DACSURIMADVIPA-VXGBXAGGSA-N 1 0 285.840 3.447 20 70 CGIDRO C[C@@H](Cc1ccccc1F)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161343571 188522859 /nfs/dbraw/zinc/52/28/59/188522859.db2.gz URGIDLPXHJBQPZ-ZDUSSCGKSA-N 1 0 293.382 3.032 20 70 CGIDRO CCOc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159475494 372147168 /nfs/dbraw/zinc/14/71/68/372147168.db2.gz SOWKZUNPBFZLQG-ULQDDVLXSA-N 1 0 287.403 3.133 20 70 CGIDRO C(=C/c1ccccc1)\C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159481071 372147365 /nfs/dbraw/zinc/14/73/65/372147365.db2.gz MLQNMOQZDIYCDP-QIUZGKPSSA-N 1 0 269.388 3.247 20 70 CGIDRO C[N@@H+](Cc1cccc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159499439 372150665 /nfs/dbraw/zinc/15/06/65/372150665.db2.gz IFQNXTVKQWBXQT-WMZOPIPTSA-N 1 0 269.388 3.433 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCSC1)CCCO2 ZINC000159531255 372152171 /nfs/dbraw/zinc/15/21/71/372152171.db2.gz VGDPNMCNYTXHBR-DOMZBBRYSA-N 1 0 293.432 3.394 20 70 CGIDRO C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCSC1 ZINC000159517869 372152292 /nfs/dbraw/zinc/15/22/92/372152292.db2.gz JKPFASMPMGFWKO-SMDDNHRTSA-N 1 0 296.411 3.028 20 70 CGIDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(C(C)(C)C)s1 ZINC000159804707 372181372 /nfs/dbraw/zinc/18/13/72/372181372.db2.gz YSZCMORYVMLDOL-UHFFFAOYSA-N 1 0 282.453 3.164 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000159792706 372181419 /nfs/dbraw/zinc/18/14/19/372181419.db2.gz WDVYTKXBRRSOCC-INIZCTEOSA-N 1 0 253.349 3.122 20 70 CGIDRO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000159624889 372162829 /nfs/dbraw/zinc/16/28/29/372162829.db2.gz SLORBJDVEBLQOO-RNCFNFMXSA-N 1 0 286.778 3.030 20 70 CGIDRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000159718828 372172401 /nfs/dbraw/zinc/17/24/01/372172401.db2.gz VSWMBTYMIZHLRI-ROUUACIJSA-N 1 0 294.398 3.211 20 70 CGIDRO Cc1n[nH]cc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000159762574 372177789 /nfs/dbraw/zinc/17/77/89/372177789.db2.gz PTCUOQSKLFEEMB-UHFFFAOYSA-N 1 0 253.349 3.007 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000159781855 372179699 /nfs/dbraw/zinc/17/96/99/372179699.db2.gz HBDRCDHCJJYYAE-ZOBUZTSGSA-N 1 0 288.435 3.150 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+]CC1(CO)CCCC1)CCC2 ZINC000160084799 372210215 /nfs/dbraw/zinc/21/02/15/372210215.db2.gz OINYSOYWXPBXCZ-KRWDZBQOSA-N 1 0 289.419 3.215 20 70 CGIDRO CCCCOC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160107200 372214404 /nfs/dbraw/zinc/21/44/04/372214404.db2.gz HHMMRUXCUWXARF-MRXNPFEDSA-N 1 0 290.407 3.260 20 70 CGIDRO CC(C)(CCO)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160154268 372218740 /nfs/dbraw/zinc/21/87/40/372218740.db2.gz UXPBWOVAGHKGOC-UHFFFAOYSA-N 1 0 279.277 3.095 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000160172936 372219921 /nfs/dbraw/zinc/21/99/21/372219921.db2.gz QBJHUOFIIGXGAC-DZGCQCFKSA-N 1 0 281.465 3.056 20 70 CGIDRO Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(C)n1 ZINC000160212676 372226545 /nfs/dbraw/zinc/22/65/45/372226545.db2.gz SJPKGPYFKXHQQB-SUMWQHHRSA-N 1 0 296.418 3.026 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1OC ZINC000160232253 372227777 /nfs/dbraw/zinc/22/77/77/372227777.db2.gz LFEDNCRQJYJLLN-GXTWGEPZSA-N 1 0 293.407 3.312 20 70 CGIDRO O=C(NCCC1=CCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160254628 372230258 /nfs/dbraw/zinc/23/02/58/372230258.db2.gz BIXQDYXQMDXQEX-GOSISDBHSA-N 1 0 298.430 3.268 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1ccc(F)cc1)C(C)C ZINC000160279304 372234203 /nfs/dbraw/zinc/23/42/03/372234203.db2.gz GEWWQTLFNJEYHO-HZPDHXFCSA-N 1 0 299.455 3.096 20 70 CGIDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160305174 372235986 /nfs/dbraw/zinc/23/59/86/372235986.db2.gz FVFNKPBYDYYJQN-OAHLLOKOSA-N 1 0 277.433 3.395 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000160342216 372238964 /nfs/dbraw/zinc/23/89/64/372238964.db2.gz ZLCJJCCPAPGUET-ZDUSSCGKSA-N 1 0 273.380 3.400 20 70 CGIDRO Cc1cccc2nc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cn21 ZINC000160338341 372239395 /nfs/dbraw/zinc/23/93/95/372239395.db2.gz KHIDLMIOBKCTCZ-AWEZNQCLSA-N 1 0 287.407 3.078 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2c[nH]nc2C(C)(C)C)cc1 ZINC000159864983 372189450 /nfs/dbraw/zinc/18/94/50/372189450.db2.gz WXFQNDNFLZJHOM-UHFFFAOYSA-N 1 0 287.407 3.348 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000160937737 372289097 /nfs/dbraw/zinc/28/90/97/372289097.db2.gz SLJLSERVUDJKOS-UHFFFAOYSA-N 1 0 280.437 3.466 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160998928 372294898 /nfs/dbraw/zinc/29/48/98/372294898.db2.gz KGSYORZOLLUYOG-MJBXVCDLSA-N 1 0 264.388 3.349 20 70 CGIDRO COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1Cl ZINC000160429076 372245729 /nfs/dbraw/zinc/24/57/29/372245729.db2.gz IPMOVEIUJJOJHV-GFCCVEGCSA-N 1 0 283.799 3.396 20 70 CGIDRO CC1([NH2+]Cc2cncc(Br)c2)CCCC1 ZINC000160566377 372257545 /nfs/dbraw/zinc/25/75/45/372257545.db2.gz QZODDUXPNSFUDN-UHFFFAOYSA-N 1 0 269.186 3.266 20 70 CGIDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000160554338 372257675 /nfs/dbraw/zinc/25/76/75/372257675.db2.gz PGGWWKGKQBDGKJ-MRXNPFEDSA-N 1 0 299.418 3.432 20 70 CGIDRO COC(C[N@@H+]1CCCCC[C@H]1c1ccccc1)OC ZINC000160622119 372262634 /nfs/dbraw/zinc/26/26/34/372262634.db2.gz RVECDINHOKTEON-HNNXBMFYSA-N 1 0 263.381 3.223 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)CCO1 ZINC000160632584 372265030 /nfs/dbraw/zinc/26/50/30/372265030.db2.gz RPVUZJHVYUFHAS-JTQLQIEISA-N 1 0 273.298 3.151 20 70 CGIDRO CCCC[N@H+](CC)Cc1nnc(-c2ccccc2)n1C ZINC000160762443 372272898 /nfs/dbraw/zinc/27/28/98/372272898.db2.gz QIJDMRYDAXOVIL-UHFFFAOYSA-N 1 0 272.396 3.104 20 70 CGIDRO CC[NH+](CC)[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160825077 372279422 /nfs/dbraw/zinc/27/94/22/372279422.db2.gz NTNPATROZMAAAU-HNNXBMFYSA-N 1 0 280.456 3.146 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2cccnc2)o1 ZINC000160852840 372280985 /nfs/dbraw/zinc/28/09/85/372280985.db2.gz CMVGLBINNISODP-UHFFFAOYSA-N 1 0 296.374 3.016 20 70 CGIDRO Cc1cc(NCCCN(C)c2ccccc2)cc[nH+]1 ZINC000160915360 372287535 /nfs/dbraw/zinc/28/75/35/372287535.db2.gz MCJOAFXPZJWNIX-UHFFFAOYSA-N 1 0 255.365 3.328 20 70 CGIDRO Fc1cc(Cl)cc(CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000161153846 372305406 /nfs/dbraw/zinc/30/54/06/372305406.db2.gz VLCQQWARHQFOGO-UHFFFAOYSA-N 1 0 296.817 3.443 20 70 CGIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@H]21 ZINC000161306480 372316094 /nfs/dbraw/zinc/31/60/94/372316094.db2.gz VOWLTPNTNPWGNG-JKSUJKDBSA-N 1 0 292.467 3.146 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccnc(C3CC3)n2)C1 ZINC000161315785 372316455 /nfs/dbraw/zinc/31/64/55/372316455.db2.gz VULBXRXSKYKIOE-CQSZACIVSA-N 1 0 288.439 3.134 20 70 CGIDRO CC(C)[C@H]([NH2+]Cc1ccccc1N1CCOCC1)C1CC1 ZINC000161472582 372326729 /nfs/dbraw/zinc/32/67/29/372326729.db2.gz NQGNHMIGSRRUQI-SFHVURJKSA-N 1 0 288.435 3.047 20 70 CGIDRO CC(C)C[C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000161471587 372327461 /nfs/dbraw/zinc/32/74/61/372327461.db2.gz XZQKVSJQVPEIFS-HNNXBMFYSA-N 1 0 268.445 3.180 20 70 CGIDRO Fc1ccccc1C1CC([NH2+][C@H]2CCN3CCCC[C@@H]23)C1 ZINC000217692249 376179030 /nfs/dbraw/zinc/17/90/30/376179030.db2.gz YOQSSEMILQAWDN-GNNGFNCTSA-N 1 0 288.410 3.288 20 70 CGIDRO Cc1cc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)o1 ZINC000217699284 376179901 /nfs/dbraw/zinc/17/99/01/376179901.db2.gz JPJGRGKSSMZWDR-RCBQFDQVSA-N 1 0 262.397 3.174 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)c1ccco1 ZINC000218067574 376183025 /nfs/dbraw/zinc/18/30/25/376183025.db2.gz RAHHXUHHAAZKBW-HNNXBMFYSA-N 1 0 283.375 3.153 20 70 CGIDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC000159435775 542149266 /nfs/dbraw/zinc/14/92/66/542149266.db2.gz YVDCCJKIBQXXMM-HOTGVXAUSA-N 1 0 270.376 3.282 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)C1CC1)CC2 ZINC000159554861 542149975 /nfs/dbraw/zinc/14/99/75/542149975.db2.gz FRFMRLAXCUBWIP-BLLLJJGKSA-N 1 0 259.393 3.188 20 70 CGIDRO CCCn1nccc1C[NH2+]CCCOC1CCCCC1 ZINC000159989248 542152066 /nfs/dbraw/zinc/15/20/66/542152066.db2.gz BLHFXXNLEPIHQN-UHFFFAOYSA-N 1 0 279.428 3.122 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H]1CCCc2ccccc21 ZINC000159982475 542151764 /nfs/dbraw/zinc/15/17/64/542151764.db2.gz WJONVPPRQHZCNU-KRWDZBQOSA-N 1 0 269.392 3.460 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2C(=O)CC2([NH3+])CCC2)c1C ZINC000160723550 542154654 /nfs/dbraw/zinc/15/46/54/542154654.db2.gz FBSTWVFVGWREOV-INIZCTEOSA-N 1 0 286.419 3.238 20 70 CGIDRO CC(C)(O)C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000160647670 542154861 /nfs/dbraw/zinc/15/48/61/542154861.db2.gz GQQOTQRYYRJUCI-LLVKDONJSA-N 1 0 271.813 3.237 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000160171953 542153082 /nfs/dbraw/zinc/15/30/82/542153082.db2.gz YGVSTHFAANEQJW-CYBMUJFWSA-N 1 0 273.380 3.153 20 70 CGIDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(OC)cc2)CCO1 ZINC000160086053 392580454 /nfs/dbraw/zinc/58/04/54/392580454.db2.gz BDNIPWZKBZDBLZ-BPLDGKMQSA-N 1 0 263.381 3.303 20 70 CGIDRO CCC[N@H+](CCCC(=O)OC)CCc1cccc(F)c1 ZINC000217223940 392994059 /nfs/dbraw/zinc/99/40/59/392994059.db2.gz YLTRIMQXDCWSGW-UHFFFAOYSA-N 1 0 281.371 3.033 20 70 CGIDRO COCC[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000217258793 392994421 /nfs/dbraw/zinc/99/44/21/392994421.db2.gz AYARBVOCBLYVAM-UHFFFAOYSA-N 1 0 298.224 3.275 20 70 CGIDRO [NH3+]CC1(C(=O)N2CC3(CCCC3)c3ccccc32)CCCC1 ZINC000159367715 287529445 /nfs/dbraw/zinc/52/94/45/287529445.db2.gz VKIIUCHCCLTRKN-UHFFFAOYSA-N 1 0 298.430 3.364 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000159889217 302166726 /nfs/dbraw/zinc/16/67/26/302166726.db2.gz KQJZQBORIWIDBY-SQWLQELKSA-N 1 0 288.435 3.073 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCNC(=O)CC1CCCC1 ZINC000159404477 321834130 /nfs/dbraw/zinc/83/41/30/321834130.db2.gz BSYZHDZLGUEEJR-HNNXBMFYSA-N 1 0 288.435 3.342 20 70 CGIDRO CN(C)c1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159993447 321844291 /nfs/dbraw/zinc/84/42/91/321844291.db2.gz VQERGZUMJSPZOY-UHFFFAOYSA-N 1 0 297.402 3.067 20 70 CGIDRO CC[C@H](COC)[NH2+]CCOc1cccc2ccccc21 ZINC000160816012 321857743 /nfs/dbraw/zinc/85/77/43/321857743.db2.gz XSGYRKNTQXMQDV-OAHLLOKOSA-N 1 0 273.376 3.233 20 70 CGIDRO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161470336 321868201 /nfs/dbraw/zinc/86/82/01/321868201.db2.gz JMUHDYPYLOPQAJ-DKSSEZFCSA-N 1 0 281.399 3.286 20 70 CGIDRO CCC[C@H](C)[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000161061566 521060816 /nfs/dbraw/zinc/06/08/16/521060816.db2.gz JCCFNHOSQADBDR-HNNXBMFYSA-N 1 0 284.403 3.175 20 70 CGIDRO CC[C@@H](NCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000161480517 522826749 /nfs/dbraw/zinc/82/67/49/522826749.db2.gz KNUFYCXHPBIYFA-CYBMUJFWSA-N 1 0 272.795 3.472 20 70 CGIDRO CSCC[C@@H](C)[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000160508502 525525829 /nfs/dbraw/zinc/52/58/29/525525829.db2.gz JGUCFRIPSKBDEY-GFCCVEGCSA-N 1 0 277.437 3.216 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000160509963 529139725 /nfs/dbraw/zinc/13/97/25/529139725.db2.gz WDIVTUVDHUWMRG-LBPRGKRZSA-N 1 0 291.420 3.185 20 70 CGIDRO CC1(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000217856121 535152924 /nfs/dbraw/zinc/15/29/24/535152924.db2.gz TZMVHRIDDIHDRO-UHFFFAOYSA-N 1 0 272.161 3.478 20 70 CGIDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)cn1 ZINC000161297066 572448802 /nfs/dbraw/zinc/44/88/02/572448802.db2.gz UESBJVBTPOXLJT-OAHLLOKOSA-N 1 0 292.386 3.427 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302051 282117532 /nfs/dbraw/zinc/11/75/32/282117532.db2.gz MGQWKLCXWUSOBZ-GUYCJALGSA-N 1 0 298.434 3.376 20 70 CGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000159837058 232241292 /nfs/dbraw/zinc/24/12/92/232241292.db2.gz GMDYPGQBVSVFAT-CJNGLKHVSA-N 1 0 299.418 3.004 20 70 CGIDRO C[NH+](C)CC(=O)N[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000159809095 232242175 /nfs/dbraw/zinc/24/21/75/232242175.db2.gz KKOYIMDJXFOIKN-INIZCTEOSA-N 1 0 294.826 3.249 20 70 CGIDRO CC[C@H]([NH2+]Cc1cccc(OC)n1)c1ccc(F)cc1 ZINC000160847903 346173149 /nfs/dbraw/zinc/17/31/49/346173149.db2.gz BBHDIYNUYBFODU-HNNXBMFYSA-N 1 0 274.339 3.470 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)CC[NH2+]C(C)C)cc21 ZINC000161281682 346175205 /nfs/dbraw/zinc/17/52/05/346175205.db2.gz IKTNOUABNNCEEL-UHFFFAOYSA-N 1 0 287.407 3.378 20 70 CGIDRO CC(C)C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccs1 ZINC000159541187 188431090 /nfs/dbraw/zinc/43/10/90/188431090.db2.gz ANTVERCNMJVHNT-CQSZACIVSA-N 1 0 294.464 3.437 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000160442515 188473189 /nfs/dbraw/zinc/47/31/89/188473189.db2.gz GZOBEPLRWUBJNJ-VIFPVBQESA-N 1 0 288.844 3.139 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2)CCO1 ZINC000160536682 188479172 /nfs/dbraw/zinc/47/91/72/188479172.db2.gz UYLXLRPFAPMPKQ-OAHLLOKOSA-N 1 0 285.391 3.124 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@](C)(O)CCC(C)C)CC2 ZINC000159363089 372136289 /nfs/dbraw/zinc/13/62/89/372136289.db2.gz CPQZKCQQXZCNAC-QZTJIDSGSA-N 1 0 291.435 3.459 20 70 CGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000159456989 372146081 /nfs/dbraw/zinc/14/60/81/372146081.db2.gz HBUNTEIHOBBZTD-IUCAKERBSA-N 1 0 262.180 3.367 20 70 CGIDRO c1ccc(C[C@H]([NH2+][C@H]2CCCSC2)C2CC2)cc1 ZINC000159529492 372152578 /nfs/dbraw/zinc/15/25/78/372152578.db2.gz VHGHKTWWTCYACN-HOTGVXAUSA-N 1 0 261.434 3.493 20 70 CGIDRO Clc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159540647 372154339 /nfs/dbraw/zinc/15/43/39/372154339.db2.gz DCBCARBPKXHMRL-RTXFEEFZSA-N 1 0 283.824 3.449 20 70 CGIDRO CC(=O)N1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000159728420 372173359 /nfs/dbraw/zinc/17/33/59/372173359.db2.gz ZWNIUHGKLKFDJN-UHFFFAOYSA-N 1 0 280.456 3.192 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000159752103 372175338 /nfs/dbraw/zinc/17/53/38/372175338.db2.gz RDRUIIGUJSAPPH-KRWDZBQOSA-N 1 0 267.376 3.165 20 70 CGIDRO CN(Cc1ccc2ccccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159759013 372176574 /nfs/dbraw/zinc/17/65/74/372176574.db2.gz DDINKPDVGBARGP-KRWDZBQOSA-N 1 0 254.377 3.009 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000159774850 372177638 /nfs/dbraw/zinc/17/76/38/372177638.db2.gz FMNUPIAZWZPQGI-STQMWFEESA-N 1 0 257.381 3.406 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](CC(C)C)c1ccccn1 ZINC000160064657 372208389 /nfs/dbraw/zinc/20/83/89/372208389.db2.gz YVKNTNYZBIPXCX-WBVHZDCISA-N 1 0 277.456 3.489 20 70 CGIDRO C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000160153743 372217807 /nfs/dbraw/zinc/21/78/07/372217807.db2.gz KWMKWXOBHNWMSB-ONGXEEELSA-N 1 0 291.288 3.359 20 70 CGIDRO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1ccco1 ZINC000160197096 372223851 /nfs/dbraw/zinc/22/38/51/372223851.db2.gz PSYFVYHHRYWTNH-UKRRQHHQSA-N 1 0 259.349 3.188 20 70 CGIDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160204500 372224651 /nfs/dbraw/zinc/22/46/51/372224651.db2.gz GSPCNEIQAKJGBN-LBPRGKRZSA-N 1 0 257.381 3.196 20 70 CGIDRO CC[C@H]([NH2+][C@H](C)c1ccco1)c1c(C)nn(C)c1C ZINC000160226926 372228068 /nfs/dbraw/zinc/22/80/68/372228068.db2.gz KTIYWMZWVSGKIP-MFKMUULPSA-N 1 0 261.369 3.432 20 70 CGIDRO O=C(c1coc2ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159879464 372191358 /nfs/dbraw/zinc/19/13/58/372191358.db2.gz KNIDGXRHTPMWGE-UHFFFAOYSA-N 1 0 298.386 3.037 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)N2CCc3ccccc32)cn1 ZINC000159924438 372195015 /nfs/dbraw/zinc/19/50/15/372195015.db2.gz PYRBMQQHZQPAJL-HUUCEWRRSA-N 1 0 298.434 3.005 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)cc1OC ZINC000159946296 372195765 /nfs/dbraw/zinc/19/57/65/372195765.db2.gz CBCAGXTXMOBTMI-GZBFAFLISA-N 1 0 293.407 3.170 20 70 CGIDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc(C(C)(C)C)ns2)C1 ZINC000159944420 372196839 /nfs/dbraw/zinc/19/68/39/372196839.db2.gz QLYSEZBPYAFVRT-GFCCVEGCSA-N 1 0 296.484 3.225 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccc(SC(C)C)cc1 ZINC000160966104 372291361 /nfs/dbraw/zinc/29/13/61/372291361.db2.gz OGPJIWBEKNMGJU-ZDUSSCGKSA-N 1 0 294.464 3.362 20 70 CGIDRO COCC[C@H](C)[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000160388254 372244821 /nfs/dbraw/zinc/24/48/21/372244821.db2.gz WIJRPKPEKXNWDE-ZDUSSCGKSA-N 1 0 290.432 3.367 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000160584882 372259401 /nfs/dbraw/zinc/25/94/01/372259401.db2.gz PQOBGWPTMUUGMZ-KBPBESRZSA-N 1 0 292.423 3.390 20 70 CGIDRO c1nc2ccccn2c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000160594303 372260962 /nfs/dbraw/zinc/26/09/62/372260962.db2.gz AAWGCCBWKQVZHT-KRWDZBQOSA-N 1 0 291.398 3.399 20 70 CGIDRO C[C@@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000160658501 372266894 /nfs/dbraw/zinc/26/68/94/372266894.db2.gz MUSNNEZPNJRIOZ-HIFRSBDPSA-N 1 0 280.456 3.144 20 70 CGIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000160710988 372269641 /nfs/dbraw/zinc/26/96/41/372269641.db2.gz XJANPUWJHZPWKP-INIZCTEOSA-N 1 0 296.414 3.384 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)c1ccoc1 ZINC000160807083 372278003 /nfs/dbraw/zinc/27/80/03/372278003.db2.gz BLEAEGFZVVNGGR-BBRMVZONSA-N 1 0 284.359 3.126 20 70 CGIDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1F ZINC000160868061 372282933 /nfs/dbraw/zinc/28/29/33/372282933.db2.gz CKPMVUVEQXOOEV-INIZCTEOSA-N 1 0 293.361 3.372 20 70 CGIDRO CC(=O)Nc1ccccc1CN(C)Cc1ccc(C)o1 ZINC000160872187 372283454 /nfs/dbraw/zinc/28/34/54/372283454.db2.gz FOCDCNTZKHFGGS-UHFFFAOYSA-N 1 0 272.348 3.178 20 70 CGIDRO CC[C@H]([NH2+]CCCc1cnn(C)c1)c1ccc(F)cc1 ZINC000160868331 372283538 /nfs/dbraw/zinc/28/35/38/372283538.db2.gz HGMKREJOFSJIFA-INIZCTEOSA-N 1 0 275.371 3.233 20 70 CGIDRO Cc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127254 372304173 /nfs/dbraw/zinc/30/41/73/372304173.db2.gz BMKJRCPKYKPEMF-IHRRRGAJSA-N 1 0 250.386 3.111 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)cn1 ZINC000161349122 372318297 /nfs/dbraw/zinc/31/82/97/372318297.db2.gz RODXTBXZKCQAEN-ZDUSSCGKSA-N 1 0 287.382 3.425 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+]Cc1cccc2cccnc21 ZINC000217395800 376173866 /nfs/dbraw/zinc/17/38/66/376173866.db2.gz XUYRRUXOEZLFJZ-AWEZNQCLSA-N 1 0 271.408 3.055 20 70 CGIDRO COc1ccc(C)cc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217677821 376179999 /nfs/dbraw/zinc/17/99/99/376179999.db2.gz LPIUWFRFLIXYKC-XIRDDKMYSA-N 1 0 288.435 3.281 20 70 CGIDRO CN(C)C1(C[NH2+]Cc2cccc3cc[nH]c32)CCCC1 ZINC000218079265 376184573 /nfs/dbraw/zinc/18/45/73/376184573.db2.gz UKXYZUMQLHETBF-UHFFFAOYSA-N 1 0 271.408 3.132 20 70 CGIDRO CCn1nccc1C[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000159921755 542151525 /nfs/dbraw/zinc/15/15/25/542151525.db2.gz RDYABDCUSQYKEU-UHFFFAOYSA-N 1 0 295.386 3.355 20 70 CGIDRO O=C([C@H]([NH2+]C1CC=CC1)c1ccccc1)N1CCCCC1 ZINC000160894646 542156366 /nfs/dbraw/zinc/15/63/66/542156366.db2.gz WUYNEDKRCWHQFA-QGZVFWFLSA-N 1 0 284.403 3.048 20 70 CGIDRO CCOCCC1(C[NH2+][C@H](C)c2ccncc2)CCC1 ZINC000159968179 286049625 /nfs/dbraw/zinc/04/96/25/286049625.db2.gz MLNDTXXCWTUMQT-CQSZACIVSA-N 1 0 262.397 3.329 20 70 CGIDRO C[C@@H]([NH2+]CCOc1ccc(F)cc1F)c1cncc(F)c1 ZINC000160088789 165477705 /nfs/dbraw/zinc/47/77/05/165477705.db2.gz JFPFYMQBRCXOME-SNVBAGLBSA-N 1 0 296.292 3.229 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2nc(C)sc21 ZINC000160132070 280100913 /nfs/dbraw/zinc/10/09/13/280100913.db2.gz SLYJTDONJLSXKD-DGCLKSJQSA-N 1 0 281.469 3.149 20 70 CGIDRO Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160475906 281273181 /nfs/dbraw/zinc/27/31/81/281273181.db2.gz SPVWKOPEAJEUIS-XYPHTWIQSA-N 1 0 259.393 3.123 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000160272967 321849818 /nfs/dbraw/zinc/84/98/18/321849818.db2.gz PUNWFMMHCLJTDO-YDHLFZDLSA-N 1 0 273.486 3.295 20 70 CGIDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)c1ccc(F)cc1 ZINC000160335610 321850391 /nfs/dbraw/zinc/85/03/91/321850391.db2.gz CREUOXUYSGCJNT-INIZCTEOSA-N 1 0 294.414 3.120 20 70 CGIDRO CC[C@H](C[NH2+][C@@H](C)C1CCOCC1)Oc1ccccc1F ZINC000160341223 321850394 /nfs/dbraw/zinc/85/03/94/321850394.db2.gz MKOUXRHNUAAZLC-DZGCQCFKSA-N 1 0 295.398 3.388 20 70 CGIDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C ZINC000160560335 321853666 /nfs/dbraw/zinc/85/36/66/321853666.db2.gz IHHNNLGUTWKBTO-CYBMUJFWSA-N 1 0 282.472 3.295 20 70 CGIDRO C[C@H]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000160980098 321860591 /nfs/dbraw/zinc/86/05/91/321860591.db2.gz WFKYAOFPZVPQEM-HOCLYGCPSA-N 1 0 288.435 3.304 20 70 CGIDRO COc1ccccc1[C@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161124742 321862625 /nfs/dbraw/zinc/86/26/25/321862625.db2.gz GLFJOPIQMNIIFV-ZDUSSCGKSA-N 1 0 299.370 3.317 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)C2CC2)c1 ZINC000161136329 321862755 /nfs/dbraw/zinc/86/27/55/321862755.db2.gz VILGSRIAANAANN-DYVFJYSZSA-N 1 0 288.435 3.493 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161237986 321864919 /nfs/dbraw/zinc/86/49/19/321864919.db2.gz IVGOITVVEZOXJD-LBPRGKRZSA-N 1 0 256.434 3.083 20 70 CGIDRO Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC000217540471 329454462 /nfs/dbraw/zinc/45/44/62/329454462.db2.gz HQFDMBCEZROAKB-KYHPRHEASA-N 1 0 291.435 3.149 20 70 CGIDRO CC(C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000160564861 519641910 /nfs/dbraw/zinc/64/19/10/519641910.db2.gz LBLKOFZJOYUYGS-UHFFFAOYSA-N 1 0 271.202 3.370 20 70 CGIDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879553 521733154 /nfs/dbraw/zinc/73/31/54/521733154.db2.gz WHRSHVDZHDFYOC-ZFWWWQNUSA-N 1 0 289.448 3.440 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161019979 525612928 /nfs/dbraw/zinc/61/29/28/525612928.db2.gz HASNSYCWBQBDHU-UBHSHLNASA-N 1 0 282.378 3.488 20 70 CGIDRO Cc1cc(C)n(CCC[NH2+]Cc2ccc(F)c(Cl)c2)n1 ZINC000159600136 232240962 /nfs/dbraw/zinc/24/09/62/232240962.db2.gz ZZWMJJRJBVSZHI-UHFFFAOYSA-N 1 0 295.789 3.472 20 70 CGIDRO C[NH+](C)CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000159809000 232241016 /nfs/dbraw/zinc/24/10/16/232241016.db2.gz KKOYIMDJXFOIKN-MRXNPFEDSA-N 1 0 294.826 3.249 20 70 CGIDRO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2C)C(C)C)cc1 ZINC000159638706 346168347 /nfs/dbraw/zinc/16/83/47/346168347.db2.gz RENJWQCOJWCJRR-QGZVFWFLSA-N 1 0 287.407 3.224 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](CC)C2CC2)c1 ZINC000160635372 188484485 /nfs/dbraw/zinc/48/44/85/188484485.db2.gz HTKVQZMFZTXKSH-MRXNPFEDSA-N 1 0 274.408 3.105 20 70 CGIDRO CN(C(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000161301760 188520580 /nfs/dbraw/zinc/52/05/80/188520580.db2.gz OQXPFBREABUUKV-SFHVURJKSA-N 1 0 282.387 3.192 20 70 CGIDRO Cc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159477879 372147522 /nfs/dbraw/zinc/14/75/22/372147522.db2.gz FIHCJSVEIACDBL-PMPSAXMXSA-N 1 0 257.377 3.042 20 70 CGIDRO COCCCCC[N@H+](CCc1nccs1)C(C)C ZINC000159804959 372181032 /nfs/dbraw/zinc/18/10/32/372181032.db2.gz PPOMMVCFDJIBKJ-UHFFFAOYSA-N 1 0 270.442 3.213 20 70 CGIDRO Cc1cc(C)cc(CC[NH2+][C@H](C)C2CCOCC2)c1 ZINC000159517668 372152694 /nfs/dbraw/zinc/15/26/94/372152694.db2.gz NCXYIRMEVSQOLZ-OAHLLOKOSA-N 1 0 261.409 3.251 20 70 CGIDRO C[C@H]([NH2+]CCCc1cccc(F)c1)C1CCOCC1 ZINC000159819849 372182753 /nfs/dbraw/zinc/18/27/53/372182753.db2.gz WBQRPDRXEFVTBD-ZDUSSCGKSA-N 1 0 265.372 3.163 20 70 CGIDRO Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159561271 372155302 /nfs/dbraw/zinc/15/53/02/372155302.db2.gz XAIJZGSBURXJEG-XHSDSOJGSA-N 1 0 257.377 3.042 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1coc2ccccc12)c1ccco1 ZINC000159795420 372181270 /nfs/dbraw/zinc/18/12/70/372181270.db2.gz ZDGCYPHWHXKKRL-HNNXBMFYSA-N 1 0 284.359 3.418 20 70 CGIDRO CC[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCOC1 ZINC000159797059 372181399 /nfs/dbraw/zinc/18/13/99/372181399.db2.gz PBASLEPGEWHASW-GOEBONIOSA-N 1 0 265.372 3.163 20 70 CGIDRO Clc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159654322 372165094 /nfs/dbraw/zinc/16/50/94/372165094.db2.gz GZMWKZTUVKDPQC-ZNMIVQPWSA-N 1 0 277.795 3.387 20 70 CGIDRO CC(C)(NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000159646556 372165103 /nfs/dbraw/zinc/16/51/03/372165103.db2.gz MOQFGARYTGGKLT-BXUZGUMPSA-N 1 0 294.826 3.209 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)n1 ZINC000159795678 372181802 /nfs/dbraw/zinc/18/18/02/372181802.db2.gz HQIFMNDUXWXJKH-KRWDZBQOSA-N 1 0 295.386 3.166 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCOCC1CCOCC1 ZINC000159667403 372165978 /nfs/dbraw/zinc/16/59/78/372165978.db2.gz MRALDQIZKUMVBF-MRXNPFEDSA-N 1 0 291.435 3.479 20 70 CGIDRO COc1ccccc1C[C@H]([NH2+]CCC(C)(C)O)C(C)C ZINC000159739064 372173841 /nfs/dbraw/zinc/17/38/41/372173841.db2.gz DPKMJKHFYFVNKI-HNNXBMFYSA-N 1 0 279.424 3.013 20 70 CGIDRO CC[NH+](CC)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159745759 372176329 /nfs/dbraw/zinc/17/63/29/372176329.db2.gz GQXGPQMQWARZMJ-LBPRGKRZSA-N 1 0 296.484 3.004 20 70 CGIDRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cnccn2)C1(C)C ZINC000159779873 372179489 /nfs/dbraw/zinc/17/94/89/372179489.db2.gz VGDHVDUZIMSQFN-CFVMTHIKSA-N 1 0 277.412 3.111 20 70 CGIDRO C[C@H]([NH2+]CCOc1ccc(F)cc1F)c1cncc(F)c1 ZINC000160088644 372210428 /nfs/dbraw/zinc/21/04/28/372210428.db2.gz JFPFYMQBRCXOME-JTQLQIEISA-N 1 0 296.292 3.229 20 70 CGIDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160079922 372211059 /nfs/dbraw/zinc/21/10/59/372211059.db2.gz JFSOFDSDZKXYNV-HNNXBMFYSA-N 1 0 280.412 3.164 20 70 CGIDRO C[C@@H]([N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1(C)CC1 ZINC000160097528 372213190 /nfs/dbraw/zinc/21/31/90/372213190.db2.gz QDROGSXWEMHZFT-CQSZACIVSA-N 1 0 294.483 3.392 20 70 CGIDRO Cc1cccc([C@H](C)[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000160187947 372222110 /nfs/dbraw/zinc/22/21/10/372222110.db2.gz BLCMZPHUZURCFN-TUUVXOQKSA-N 1 0 259.393 3.459 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccco1 ZINC000160204356 372224299 /nfs/dbraw/zinc/22/42/99/372224299.db2.gz QBXAIQXRPLQNGP-ZKTNFTSUSA-N 1 0 277.389 3.429 20 70 CGIDRO CC[C@@H]([NH2+][C@H](C)c1ccco1)c1c(C)nn(C)c1C ZINC000160227055 372227569 /nfs/dbraw/zinc/22/75/69/372227569.db2.gz KTIYWMZWVSGKIP-ZWNOBZJWSA-N 1 0 261.369 3.432 20 70 CGIDRO COc1ccccc1CC[N@H+](C)Cc1ccc(C)cn1 ZINC000159859921 372187535 /nfs/dbraw/zinc/18/75/35/372187535.db2.gz LYQBQUFVIYUEMH-UHFFFAOYSA-N 1 0 270.376 3.073 20 70 CGIDRO C[C@@](O)(C[NH2+][C@H]1CCc2ccccc21)c1ccsc1 ZINC000159932426 372195034 /nfs/dbraw/zinc/19/50/34/372195034.db2.gz GTBVZLJXFDFIKW-JKSUJKDBSA-N 1 0 273.401 3.233 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000159934117 372195994 /nfs/dbraw/zinc/19/59/94/372195994.db2.gz JKPFUKNUCVAVFO-ZBFHGGJFSA-N 1 0 299.418 3.481 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCO2)c1 ZINC000160010125 372203117 /nfs/dbraw/zinc/20/31/17/372203117.db2.gz GDQFKXQXFRRANK-YDHLFZDLSA-N 1 0 293.407 3.312 20 70 CGIDRO CCOCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000160027688 372205445 /nfs/dbraw/zinc/20/54/45/372205445.db2.gz OQIIXSRFWSGCDG-ZRDIBKRKSA-N 1 0 253.773 3.369 20 70 CGIDRO Cc1nc2ccccn2c1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160983315 372293079 /nfs/dbraw/zinc/29/30/79/372293079.db2.gz ZRSNSTHBPLQPNC-GASCZTMLSA-N 1 0 269.392 3.265 20 70 CGIDRO COc1ccc(C[N@H+](C)CCOCC2CC2)cc1Cl ZINC000161015427 372294772 /nfs/dbraw/zinc/29/47/72/372294772.db2.gz HWUBOASUVJNRIX-UHFFFAOYSA-N 1 0 283.799 3.207 20 70 CGIDRO COc1ccccc1[C@H](C)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055122 372298112 /nfs/dbraw/zinc/29/81/12/372298112.db2.gz ARSNRRJLBKMKHQ-ZNMIVQPWSA-N 1 0 276.424 3.219 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(C)c2Cl)CC1 ZINC000160401878 372244060 /nfs/dbraw/zinc/24/40/60/372244060.db2.gz UWTHJPFSMUEXKN-UHFFFAOYSA-N 1 0 294.826 3.110 20 70 CGIDRO CC(C)C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466634 372250316 /nfs/dbraw/zinc/25/03/16/372250316.db2.gz TZHUGHWLKYBVSG-OIISXLGYSA-N 1 0 276.424 3.310 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cccc3[nH]ccc32)CCO1 ZINC000160524915 372253511 /nfs/dbraw/zinc/25/35/11/372253511.db2.gz GZEMYMWINIGUCX-CYBMUJFWSA-N 1 0 258.365 3.215 20 70 CGIDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160575967 372259186 /nfs/dbraw/zinc/25/91/86/372259186.db2.gz IZMUYBZAOBSQJD-CABZTGNLSA-N 1 0 269.186 3.122 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)[C@H](C)c1nc2ccccc2s1 ZINC000160621153 372262270 /nfs/dbraw/zinc/26/22/70/372262270.db2.gz WVLZAICZGAWCSA-WDEREUQCSA-N 1 0 278.421 3.149 20 70 CGIDRO C[C@@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000160658254 372266059 /nfs/dbraw/zinc/26/60/59/372266059.db2.gz MUSNNEZPNJRIOZ-UKRRQHHQSA-N 1 0 280.456 3.144 20 70 CGIDRO CC[C@@H]([NH2+]CC1(C)COC1)c1ccc(F)cc1F ZINC000160915280 372287192 /nfs/dbraw/zinc/28/71/92/372287192.db2.gz SCYHUHBFXFFNNT-CYBMUJFWSA-N 1 0 255.308 3.042 20 70 CGIDRO CC[C@H]([NH2+]CCCOc1c(C)cccc1C)[C@H]1CCOC1 ZINC000161237360 372310986 /nfs/dbraw/zinc/31/09/86/372310986.db2.gz XWXNVRIGADZVLK-IRXDYDNUSA-N 1 0 291.435 3.477 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000161222866 372311162 /nfs/dbraw/zinc/31/11/62/372311162.db2.gz SMQPDHJQFQVRCY-HZPDHXFCSA-N 1 0 288.435 3.204 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000161432965 372323636 /nfs/dbraw/zinc/32/36/36/372323636.db2.gz KONUQQJQHLLILA-PWSUYJOCSA-N 1 0 289.345 3.497 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161503917 372329307 /nfs/dbraw/zinc/32/93/07/372329307.db2.gz CDOAYERSMHJHGD-WFASDCNBSA-N 1 0 291.341 3.392 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+]Cc1ccc2ncccc2c1 ZINC000217376794 376172634 /nfs/dbraw/zinc/17/26/34/376172634.db2.gz WMCWAHAGPSKFRC-AWEZNQCLSA-N 1 0 271.408 3.055 20 70 CGIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000218097059 376185040 /nfs/dbraw/zinc/18/50/40/376185040.db2.gz MKNSOIZANVVJNF-FPMFFAJLSA-N 1 0 277.364 3.024 20 70 CGIDRO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000218117985 376185229 /nfs/dbraw/zinc/18/52/29/376185229.db2.gz GNIUMPNSCRORRY-YPMHNXCESA-N 1 0 294.395 3.017 20 70 CGIDRO CCC(C)(CC)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000159485604 542149602 /nfs/dbraw/zinc/14/96/02/542149602.db2.gz XGQGINPOSRKVHY-UHFFFAOYSA-N 1 0 268.445 3.051 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000159852393 542151414 /nfs/dbraw/zinc/15/14/14/542151414.db2.gz IDJSBQKXACYLBQ-LSDHHAIUSA-N 1 0 261.413 3.206 20 70 CGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000160856172 542156348 /nfs/dbraw/zinc/15/63/48/542156348.db2.gz FRGOCIIGAZHECP-QZTJIDSGSA-N 1 0 296.414 3.159 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@H]1CCc2ccccc21 ZINC000160961244 285222141 /nfs/dbraw/zinc/22/21/41/285222141.db2.gz LCWOUQUWYNHDRP-WBVHZDCISA-N 1 0 280.371 3.029 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000159377716 392579022 /nfs/dbraw/zinc/57/90/22/392579022.db2.gz ZERAIUAXYKNGKX-TUVASFSCSA-N 1 0 270.486 3.123 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000159377312 392579303 /nfs/dbraw/zinc/57/93/03/392579303.db2.gz ZERAIUAXYKNGKX-LXTVHRRPSA-N 1 0 270.486 3.123 20 70 CGIDRO Cc1cc(N[C@@H]2CCCc3cc(N)ccc32)cc[nH+]1 ZINC000159495469 392581092 /nfs/dbraw/zinc/58/10/92/392581092.db2.gz NSWRWPLNTSSHIV-MRXNPFEDSA-N 1 0 253.349 3.462 20 70 CGIDRO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccccc1 ZINC000217687954 392993768 /nfs/dbraw/zinc/99/37/68/392993768.db2.gz AJIFWQUCXMDEPG-ULQDDVLXSA-N 1 0 258.409 3.354 20 70 CGIDRO Fc1ccccc1C1CC([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000217692164 392994675 /nfs/dbraw/zinc/99/46/75/392994675.db2.gz YOQSSEMILQAWDN-PCHAPFSGSA-N 1 0 288.410 3.288 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000160495342 296583614 /nfs/dbraw/zinc/58/36/14/296583614.db2.gz YVSVQXVSIQVRRO-WQVCFCJDSA-N 1 0 293.382 3.180 20 70 CGIDRO CCOCCC1(C[NH2+][C@@H](C)c2ccncc2)CCC1 ZINC000159968045 286048571 /nfs/dbraw/zinc/04/85/71/286048571.db2.gz MLNDTXXCWTUMQT-AWEZNQCLSA-N 1 0 262.397 3.329 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCO2)c1 ZINC000160010260 165470702 /nfs/dbraw/zinc/47/07/02/165470702.db2.gz GDQFKXQXFRRANK-IPYPFGDCSA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1cnc2ccsc2c1 ZINC000160078649 165474297 /nfs/dbraw/zinc/47/42/97/165474297.db2.gz PGWUTIAHLNIPCC-GFCCVEGCSA-N 1 0 290.432 3.500 20 70 CGIDRO CCCC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218202860 263088133 /nfs/dbraw/zinc/08/81/33/263088133.db2.gz LVZZMGVXSHNERB-HZPDHXFCSA-N 1 0 275.392 3.208 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)cc1F ZINC000218197755 270085540 /nfs/dbraw/zinc/08/55/40/270085540.db2.gz UGUMBIMBGCDTBJ-HZUKXOBISA-N 1 0 281.371 3.443 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCOc3ccccc32)CCO1 ZINC000159776771 275861023 /nfs/dbraw/zinc/86/10/23/275861023.db2.gz BCXIPPBHZDONRE-KGLIPLIRSA-N 1 0 275.392 3.100 20 70 CGIDRO COc1cccc(Cl)c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000159778556 278014874 /nfs/dbraw/zinc/01/48/74/278014874.db2.gz GNPQELNBHNZHDZ-LLVKDONJSA-N 1 0 283.799 3.396 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+][C@@H]1CCc2ccccc21 ZINC000160961358 280395138 /nfs/dbraw/zinc/39/51/38/280395138.db2.gz LCWOUQUWYNHDRP-NVXWUHKLSA-N 1 0 280.371 3.029 20 70 CGIDRO Cc1c[nH+]ccc1N[C@H]1CCCc2cc(N)ccc21 ZINC000159502645 281669919 /nfs/dbraw/zinc/66/99/19/281669919.db2.gz PCXCGMZGDHHINO-INIZCTEOSA-N 1 0 253.349 3.462 20 70 CGIDRO OC[C@@H](C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000161407693 321867403 /nfs/dbraw/zinc/86/74/03/321867403.db2.gz HHRMPVOPJCMQDK-QAPCUYQASA-N 1 0 285.362 3.179 20 70 CGIDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160476603 519792323 /nfs/dbraw/zinc/79/23/23/519792323.db2.gz FEPHKTFGBJHRMT-OAHLLOKOSA-N 1 0 275.440 3.452 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000159389488 521731900 /nfs/dbraw/zinc/73/19/00/521731900.db2.gz PLOSILGSXVRRFR-CRWXNKLISA-N 1 0 257.443 3.065 20 70 CGIDRO CC[C@H](COC)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160506105 522258336 /nfs/dbraw/zinc/25/83/36/522258336.db2.gz ZBEMYIHVEHXWNJ-CYBMUJFWSA-N 1 0 265.422 3.326 20 70 CGIDRO COc1ccc(COCCC[NH2+][C@@H](C)C2(C)CC2)cc1 ZINC000161095105 524113389 /nfs/dbraw/zinc/11/33/89/524113389.db2.gz UEZCEODITOQQNK-AWEZNQCLSA-N 1 0 277.408 3.380 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)cc1F ZINC000161038131 525560753 /nfs/dbraw/zinc/56/07/53/525560753.db2.gz NFXMAOUGOGQYBE-YUTCNCBUSA-N 1 0 282.378 3.488 20 70 CGIDRO c1sc(C2CC2)nc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000161410425 526631315 /nfs/dbraw/zinc/63/13/15/526631315.db2.gz NJWDCADJQLLJJI-NSHDSACASA-N 1 0 278.421 3.021 20 70 CGIDRO Fc1cc(Cl)cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000161132950 572337854 /nfs/dbraw/zinc/33/78/54/572337854.db2.gz VPGFUDFJOZHUIT-BBRMVZONSA-N 1 0 296.817 3.443 20 70 CGIDRO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000161091624 282194282 /nfs/dbraw/zinc/19/42/82/282194282.db2.gz LEKPSWFVYIVIEN-ZMSDIMECSA-N 1 0 288.435 3.363 20 70 CGIDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000159981265 232242433 /nfs/dbraw/zinc/24/24/33/232242433.db2.gz PYUXLTSCNVWTBE-DOTOQJQBSA-N 1 0 261.409 3.245 20 70 CGIDRO CC[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(C)cc1 ZINC000160130428 346169812 /nfs/dbraw/zinc/16/98/12/346169812.db2.gz GCNNKGGWKZXYNK-DOTOQJQBSA-N 1 0 288.435 3.089 20 70 CGIDRO CC[C@H]([NH2+]CCC(=O)OC(C)C)c1ccc(F)cc1 ZINC000160693536 346172144 /nfs/dbraw/zinc/17/21/44/346172144.db2.gz KSUDAFLEFYGDOX-AWEZNQCLSA-N 1 0 267.344 3.208 20 70 CGIDRO Clc1ccc(CC[NH2+]Cc2nccs2)s1 ZINC000218153135 346292976 /nfs/dbraw/zinc/29/29/76/346292976.db2.gz JUMVOYJUKXFKHE-UHFFFAOYSA-N 1 0 258.799 3.190 20 70 CGIDRO c1cnc2c(c1)cccc2C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159540911 188431286 /nfs/dbraw/zinc/43/12/86/188431286.db2.gz PBTNIFNJNDYMIP-JQHSSLGASA-N 1 0 294.398 3.282 20 70 CGIDRO Cc1nn(C)cc1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000160148547 188457134 /nfs/dbraw/zinc/45/71/34/188457134.db2.gz ZNWRRKINQKCJIU-UHFFFAOYSA-N 1 0 271.408 3.230 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)c1cc2ccccc2o1 ZINC000160482841 188475507 /nfs/dbraw/zinc/47/55/07/188475507.db2.gz HAQUJKNZGZOARB-GFCCVEGCSA-N 1 0 288.391 3.170 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000160817883 188492163 /nfs/dbraw/zinc/49/21/63/188492163.db2.gz RRMQXGJXUXDUFP-HOCLYGCPSA-N 1 0 277.408 3.380 20 70 CGIDRO CC[N@H+](CCc1nccs1)Cc1cnc(Cl)s1 ZINC000159365118 372136341 /nfs/dbraw/zinc/13/63/41/372136341.db2.gz OINAKYOIBBPAKV-UHFFFAOYSA-N 1 0 287.841 3.318 20 70 CGIDRO COCc1cccc(C[NH2+]Cc2cccc3c2NCC3)c1 ZINC000159385193 372137779 /nfs/dbraw/zinc/13/77/79/372137779.db2.gz PFIQQQWHUNVAFR-UHFFFAOYSA-N 1 0 282.387 3.091 20 70 CGIDRO c1ccc(C[C@@H]([NH2+][C@@H]2CCCSC2)C2CC2)cc1 ZINC000159529384 372152160 /nfs/dbraw/zinc/15/21/60/372152160.db2.gz VHGHKTWWTCYACN-HZPDHXFCSA-N 1 0 261.434 3.493 20 70 CGIDRO CCOC(CC[NH2+][C@@H](C)CCc1ccccc1)OCC ZINC000159541009 372153249 /nfs/dbraw/zinc/15/32/49/372153249.db2.gz MTHZKTHAYZSEML-HNNXBMFYSA-N 1 0 279.424 3.387 20 70 CGIDRO CCOC(CC[NH2+][C@H](C)Cc1ccc(F)cc1)OCC ZINC000159545552 372154010 /nfs/dbraw/zinc/15/40/10/372154010.db2.gz JCFTWKZKTPAPRX-CYBMUJFWSA-N 1 0 283.387 3.136 20 70 CGIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000159550898 372154520 /nfs/dbraw/zinc/15/45/20/372154520.db2.gz ZRBVJNHBLCXATQ-OAHLLOKOSA-N 1 0 294.483 3.439 20 70 CGIDRO COc1ccc(C)cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159640249 372164633 /nfs/dbraw/zinc/16/46/33/372164633.db2.gz SRYSPERWAHAZIN-XIRDDKMYSA-N 1 0 287.403 3.051 20 70 CGIDRO CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000159727394 372174261 /nfs/dbraw/zinc/17/42/61/372174261.db2.gz AYVLEHFBMSYGIZ-WBIUFABUSA-N 1 0 296.361 3.050 20 70 CGIDRO C[C@H](C[NH2+]C[C@H](O)c1ccccc1F)c1ccccc1 ZINC000159740504 372176251 /nfs/dbraw/zinc/17/62/51/372176251.db2.gz PFESBCYOULJRJY-DYVFJYSZSA-N 1 0 273.351 3.252 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCc2ccncc2)n1 ZINC000159753844 372176293 /nfs/dbraw/zinc/17/62/93/372176293.db2.gz CSGSNGKLUGMGBF-KRWDZBQOSA-N 1 0 267.376 3.165 20 70 CGIDRO COC(=O)c1cc(C[N@H+](C(C)C)C2CCCCC2)c[nH]1 ZINC000159770707 372178640 /nfs/dbraw/zinc/17/86/40/372178640.db2.gz DNNNPWTUIIQPDW-UHFFFAOYSA-N 1 0 278.396 3.344 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160114084 372213795 /nfs/dbraw/zinc/21/37/95/372213795.db2.gz AMIFLALTFUEZQU-QWRGUYRKSA-N 1 0 272.392 3.365 20 70 CGIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cccnc2)C[C@H]1OC ZINC000160109968 372214277 /nfs/dbraw/zinc/21/42/77/372214277.db2.gz PYSKPZJXSUEWBK-NWANDNLSSA-N 1 0 262.397 3.326 20 70 CGIDRO CCCOc1cccc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000160109228 372214342 /nfs/dbraw/zinc/21/43/42/372214342.db2.gz CXUGFUFUKMESPS-UHFFFAOYSA-N 1 0 277.408 3.118 20 70 CGIDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160136412 372217182 /nfs/dbraw/zinc/21/71/82/372217182.db2.gz NDNQDPDLFYKMNH-OLZOCXBDSA-N 1 0 257.381 3.449 20 70 CGIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(F)n1 ZINC000160221936 372225665 /nfs/dbraw/zinc/22/56/65/372225665.db2.gz FOWFDNXJRLWPLU-ZFWWWQNUSA-N 1 0 285.366 3.153 20 70 CGIDRO O=C(NCCC1=CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000160254779 372232353 /nfs/dbraw/zinc/23/23/53/372232353.db2.gz BIXQDYXQMDXQEX-SFHVURJKSA-N 1 0 298.430 3.268 20 70 CGIDRO CC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(F)cc1F ZINC000160288014 372233606 /nfs/dbraw/zinc/23/36/06/372233606.db2.gz KQWMXDZEFGJFAN-RISCZKNCSA-N 1 0 289.391 3.120 20 70 CGIDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159843189 372187005 /nfs/dbraw/zinc/18/70/05/372187005.db2.gz OJNYJYYGZWTUBJ-KRWDZBQOSA-N 1 0 284.407 3.077 20 70 CGIDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159842348 372187270 /nfs/dbraw/zinc/18/72/70/372187270.db2.gz LHCVIWDVQPDUCX-WDEREUQCSA-N 1 0 282.457 3.120 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869572 372189091 /nfs/dbraw/zinc/18/90/91/372189091.db2.gz HPLJIANFRVANDR-KGLIPLIRSA-N 1 0 293.374 3.074 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cccnc2C)cc1 ZINC000159869643 372189126 /nfs/dbraw/zinc/18/91/26/372189126.db2.gz NVFHMYZDTHNSNR-UHFFFAOYSA-N 1 0 256.349 3.031 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)C(C)C)cc1OC ZINC000159970103 372200473 /nfs/dbraw/zinc/20/04/73/372200473.db2.gz LKIGMUXSXJRFAQ-HIFRSBDPSA-N 1 0 295.423 3.416 20 70 CGIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1sc2c(c1C)CCCC2 ZINC000160988286 372292571 /nfs/dbraw/zinc/29/25/71/372292571.db2.gz RLOZQVKAOIOORS-NOZJJQNGSA-N 1 0 280.437 3.247 20 70 CGIDRO Cc1c(NC(=O)C[C@@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000160988556 372293008 /nfs/dbraw/zinc/29/30/08/372293008.db2.gz YKWVSPGCLJIMOI-NSHDSACASA-N 1 0 278.421 3.016 20 70 CGIDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160998049 372295224 /nfs/dbraw/zinc/29/52/24/372295224.db2.gz DBUXFCJLOPMNBR-UMVBOHGHSA-N 1 0 274.408 3.168 20 70 CGIDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1cncs1 ZINC000160400058 372244780 /nfs/dbraw/zinc/24/47/80/372244780.db2.gz DFBNFTWJTUHQSE-OCCSQVGLSA-N 1 0 281.469 3.304 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000160437231 372247545 /nfs/dbraw/zinc/24/75/45/372247545.db2.gz OZZNLYZFYZSTSM-SJORKVTESA-N 1 0 293.476 3.020 20 70 CGIDRO CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000160517942 372253486 /nfs/dbraw/zinc/25/34/86/372253486.db2.gz FPYBXADWWRIKNH-YUELXQCFSA-N 1 0 277.408 3.434 20 70 CGIDRO Cc1cc(C)n2c(C[N@@H+](C)Cc3ccccc3C)cnc2n1 ZINC000160522761 372253814 /nfs/dbraw/zinc/25/38/14/372253814.db2.gz ROURYOAXGVGQCN-UHFFFAOYSA-N 1 0 294.402 3.287 20 70 CGIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000160830022 372280152 /nfs/dbraw/zinc/28/01/52/372280152.db2.gz JVBCHCFQKXSEEA-UONOGXRCSA-N 1 0 282.815 3.281 20 70 CGIDRO CC[C@H]([NH2+][C@H](C)CCOC)c1ccc(F)cc1F ZINC000160859568 372283036 /nfs/dbraw/zinc/28/30/36/372283036.db2.gz XUXOTXSIMCCAKD-YGRLFVJLSA-N 1 0 257.324 3.431 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccnc2)C12CCC2 ZINC000160897925 372287455 /nfs/dbraw/zinc/28/74/55/372287455.db2.gz KPEPYRNLGIQTJX-VHDGCEQUSA-N 1 0 260.381 3.080 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1(CC)CC ZINC000161292404 372314537 /nfs/dbraw/zinc/31/45/37/372314537.db2.gz SMUUOFWNQHWKHP-LVQVYYBASA-N 1 0 282.472 3.043 20 70 CGIDRO COC(C[N@@H+]1Cc2ccccc2C[C@@H]1c1ccccc1)OC ZINC000161289729 372314651 /nfs/dbraw/zinc/31/46/51/372314651.db2.gz GPSGXLVGFQYTAG-GOSISDBHSA-N 1 0 297.398 3.405 20 70 CGIDRO O[C@H](C1CC[NH+](CCC2CCCC2)CC1)C(F)(F)F ZINC000161321589 372316702 /nfs/dbraw/zinc/31/67/02/372316702.db2.gz PGOGXUBBFKUTHY-CYBMUJFWSA-N 1 0 279.346 3.202 20 70 CGIDRO C[C@@H](c1cccc2ccccc21)N1CCC[C@@H]([NH3+])C1 ZINC000217491878 376174560 /nfs/dbraw/zinc/17/45/60/376174560.db2.gz PNTPXZZIXQNRDM-DZGCQCFKSA-N 1 0 254.377 3.324 20 70 CGIDRO CCc1ncnc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1F ZINC000217985687 376181290 /nfs/dbraw/zinc/18/12/90/376181290.db2.gz BZGIEPJTRBWKCC-MLGOLLRUSA-N 1 0 294.418 3.101 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c(OC)c1 ZINC000218041017 376183422 /nfs/dbraw/zinc/18/34/22/376183422.db2.gz WRIQNYNKHARKAM-APHBMKBZSA-N 1 0 293.407 3.312 20 70 CGIDRO Cc1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cn1 ZINC000218113932 376185020 /nfs/dbraw/zinc/18/50/20/376185020.db2.gz YNUHMTVYWVKELP-UHFFFAOYSA-N 1 0 251.333 3.161 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000160082196 542152408 /nfs/dbraw/zinc/15/24/08/542152408.db2.gz YTIPJIXSPHXGCT-CQSZACIVSA-N 1 0 287.407 3.110 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1 ZINC000160542683 542155464 /nfs/dbraw/zinc/15/54/64/542155464.db2.gz RUSVLTNDLGQQQJ-AWEZNQCLSA-N 1 0 297.464 3.113 20 70 CGIDRO CCC[C@@H](CCc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000160939122 542155887 /nfs/dbraw/zinc/15/58/87/542155887.db2.gz RWGALODEEMSDLN-INIZCTEOSA-N 1 0 288.435 3.176 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000218778325 262346974 /nfs/dbraw/zinc/34/69/74/262346974.db2.gz URMSHROIIAAAJR-CWRNSKLLSA-N 1 0 279.424 3.067 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000159408056 165466172 /nfs/dbraw/zinc/46/61/72/165466172.db2.gz PWVKXXAVUWFKHC-IACUBPJLSA-N 1 0 267.442 3.135 20 70 CGIDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159748238 165468075 /nfs/dbraw/zinc/46/80/75/165468075.db2.gz PZOGHTHCRAQRED-GFCCVEGCSA-N 1 0 296.484 3.004 20 70 CGIDRO Cc1cccc(C[NH2+]Cc2cccc3cc[nH]c32)n1 ZINC000218121368 287628509 /nfs/dbraw/zinc/62/85/09/287628509.db2.gz IGKBYJVUSVKLOI-UHFFFAOYSA-N 1 0 251.333 3.161 20 70 CGIDRO O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000218775145 270085509 /nfs/dbraw/zinc/08/55/09/270085509.db2.gz GJUHIQSCYZDPEW-WOJBJXKFSA-N 1 0 295.426 3.297 20 70 CGIDRO CCC[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000161279299 276021239 /nfs/dbraw/zinc/02/12/39/276021239.db2.gz LFKKIQLLMQCBNK-JSGCOSHPSA-N 1 0 288.391 3.340 20 70 CGIDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)c2cccc(Br)c21 ZINC000160635969 278987338 /nfs/dbraw/zinc/98/73/38/278987338.db2.gz ZBMYGMTYWVCIPS-SKDRFNHKSA-N 1 0 298.224 3.358 20 70 CGIDRO CC(C)C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC000159890208 279163367 /nfs/dbraw/zinc/16/33/67/279163367.db2.gz MMCKEAOYPKBMMH-OAHLLOKOSA-N 1 0 270.367 3.031 20 70 CGIDRO C[C@H]1CC([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C[C@H](C)C1 ZINC000161010284 290353975 /nfs/dbraw/zinc/35/39/75/290353975.db2.gz JFBVRVBVIBTDJQ-LALPHHSUSA-N 1 0 274.408 3.167 20 70 CGIDRO Cn1ccc(C[NH2+]Cc2ccc(Br)c(F)c2)c1 ZINC000159537992 321836570 /nfs/dbraw/zinc/83/65/70/321836570.db2.gz SLZUCHLOKQDORV-UHFFFAOYSA-N 1 0 297.171 3.217 20 70 CGIDRO Cc1cc(C)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159607589 321837283 /nfs/dbraw/zinc/83/72/83/321837283.db2.gz PKMXEMGIWXPADF-BBWFWOEESA-N 1 0 271.404 3.351 20 70 CGIDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000160532891 533726737 /nfs/dbraw/zinc/72/67/37/533726737.db2.gz PMNBRNBCFOGFNE-RKDXNWHRSA-N 1 0 272.161 3.334 20 70 CGIDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000160533203 534029275 /nfs/dbraw/zinc/02/92/75/534029275.db2.gz PMNBRNBCFOGFNE-BDAKNGLRSA-N 1 0 272.161 3.334 20 70 CGIDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160281355 534232001 /nfs/dbraw/zinc/23/20/01/534232001.db2.gz JYHRCMNCFSYWNZ-WFASDCNBSA-N 1 0 265.372 3.304 20 70 CGIDRO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000161291671 520633318 /nfs/dbraw/zinc/63/33/18/520633318.db2.gz NUIXYWMRUPWTHI-JYJNAYRXSA-N 1 0 282.472 3.439 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160960429 522621536 /nfs/dbraw/zinc/62/15/36/522621536.db2.gz KMHLZFFNXUXKSW-YOEHRIQHSA-N 1 0 269.392 3.191 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000161424360 523042910 /nfs/dbraw/zinc/04/29/10/523042910.db2.gz QRJUJLRELVUDKV-QOKNQOGYSA-N 1 0 279.449 3.353 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc32)cn1 ZINC000160982031 523457098 /nfs/dbraw/zinc/45/70/98/523457098.db2.gz ZWYVQYHCWZRUMX-UKRRQHHQSA-N 1 0 269.392 3.284 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000160367489 525642496 /nfs/dbraw/zinc/64/24/96/525642496.db2.gz LVKNOJHVTZAOLE-CXAGYDPISA-N 1 0 293.476 3.330 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]CC[S@](=O)c2ccccc2)cc1 ZINC000160789608 525728441 /nfs/dbraw/zinc/72/84/41/525728441.db2.gz GMLBGOZYYAODNF-FOIQADDNSA-N 1 0 287.428 3.453 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000160509838 527744771 /nfs/dbraw/zinc/74/47/71/527744771.db2.gz WDIVTUVDHUWMRG-GFCCVEGCSA-N 1 0 291.420 3.185 20 70 CGIDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000159986177 529368184 /nfs/dbraw/zinc/36/81/84/529368184.db2.gz LVAFHEKHTLUPFL-IJLUTSLNSA-N 1 0 282.815 3.294 20 70 CGIDRO CCc1noc(C)c1C[N@H+](CCc1nccs1)C(C)C ZINC000159927174 232242539 /nfs/dbraw/zinc/24/25/39/232242539.db2.gz OZDVXEZYNZXOBZ-UHFFFAOYSA-N 1 0 293.436 3.455 20 70 CGIDRO CC(C)[C@H](C)NC(=O)C1CC[NH+](CCC2CCCC2)CC1 ZINC000159964369 346169146 /nfs/dbraw/zinc/16/91/46/346169146.db2.gz LZLMENDVRKWGOJ-HNNXBMFYSA-N 1 0 294.483 3.439 20 70 CGIDRO CC[C@@H]([NH2+]CCC(=O)OC(C)C)c1ccc(F)cc1 ZINC000160693651 346172169 /nfs/dbraw/zinc/17/21/69/346172169.db2.gz KSUDAFLEFYGDOX-CQSZACIVSA-N 1 0 267.344 3.208 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000161046824 346174503 /nfs/dbraw/zinc/17/45/03/346174503.db2.gz VPGNHNTWYRTURJ-XJKSGUPXSA-N 1 0 292.398 3.123 20 70 CGIDRO Cc1ccc(C(=O)CC[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000161436171 188527747 /nfs/dbraw/zinc/52/77/47/188527747.db2.gz DVYZLVURMKITRI-GOSISDBHSA-N 1 0 297.398 3.281 20 70 CGIDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc(C)c2F)CC1 ZINC000161487618 188530802 /nfs/dbraw/zinc/53/08/02/188530802.db2.gz FXOBUSNNBBHIIS-UHFFFAOYSA-N 1 0 292.398 3.081 20 70 CGIDRO Fc1ccc(F)c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606380 372160928 /nfs/dbraw/zinc/16/09/28/372160928.db2.gz HOAVZTVNKSFAQD-QEJZJMRPSA-N 1 0 279.330 3.012 20 70 CGIDRO Cc1ccccc1[C@@H](NC(=O)[C@@H](C)[NH3+])[C@@H]1CCC[C@H](C)C1 ZINC000159687723 372167369 /nfs/dbraw/zinc/16/73/69/372167369.db2.gz FOTRFUYDDSBBKO-CRNXPOROSA-N 1 0 288.435 3.326 20 70 CGIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H]([NH3+])C(C)C ZINC000159694618 372169601 /nfs/dbraw/zinc/16/96/01/372169601.db2.gz VDQSLSZIXTUOHB-HZPDHXFCSA-N 1 0 276.424 3.182 20 70 CGIDRO c1cn(CC[NH+]2CCC(c3c[nH]c4ccccc34)CC2)cn1 ZINC000159710307 372172616 /nfs/dbraw/zinc/17/26/16/372172616.db2.gz SJYPGNOWXFLKCY-UHFFFAOYSA-N 1 0 294.402 3.244 20 70 CGIDRO CC[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000159727262 372173774 /nfs/dbraw/zinc/17/37/74/372173774.db2.gz AYVLEHFBMSYGIZ-IFUGULHKSA-N 1 0 296.361 3.050 20 70 CGIDRO COc1ccccc1C[C@@H]([NH2+]CCC(C)(C)O)C(C)C ZINC000159738941 372174423 /nfs/dbraw/zinc/17/44/23/372174423.db2.gz DPKMJKHFYFVNKI-OAHLLOKOSA-N 1 0 279.424 3.013 20 70 CGIDRO CC(C)[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCCC1 ZINC000159768402 372177398 /nfs/dbraw/zinc/17/73/98/372177398.db2.gz BYOZEBONBLLOBX-UHFFFAOYSA-N 1 0 291.439 3.260 20 70 CGIDRO CC(C)[N@H+](Cc1cnc2cnccn12)C1CCCCC1 ZINC000159768259 372178013 /nfs/dbraw/zinc/17/80/13/372178013.db2.gz VKASEKZHRJESBU-UHFFFAOYSA-N 1 0 272.396 3.272 20 70 CGIDRO C[C@H](c1ccc(F)cc1F)[N@H+](C)CCOCC1CC1 ZINC000159764665 372178065 /nfs/dbraw/zinc/17/80/65/372178065.db2.gz QGDJORUCQICJFE-LLVKDONJSA-N 1 0 269.335 3.384 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1(C)C ZINC000159779473 372179303 /nfs/dbraw/zinc/17/93/03/372179303.db2.gz VGDHVDUZIMSQFN-AEGPPILISA-N 1 0 277.412 3.111 20 70 CGIDRO C[C@H]([N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)C1(C)CC1 ZINC000160097409 372212380 /nfs/dbraw/zinc/21/23/80/372212380.db2.gz QDROGSXWEMHZFT-AWEZNQCLSA-N 1 0 294.483 3.392 20 70 CGIDRO CCNC(=O)C[N@H+](CC)C1c2ccccc2-c2ccccc21 ZINC000160121932 372216120 /nfs/dbraw/zinc/21/61/20/372216120.db2.gz KGEAXIMEFRTOLD-UHFFFAOYSA-N 1 0 294.398 3.214 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1NC(C)=O ZINC000160136038 372217006 /nfs/dbraw/zinc/21/70/06/372217006.db2.gz VYYBZBJYMLNHEC-WDEREUQCSA-N 1 0 276.380 3.103 20 70 CGIDRO C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C)c1ccco1 ZINC000160203274 372223554 /nfs/dbraw/zinc/22/35/54/372223554.db2.gz JYMNWOUKGRPDQF-VYDXJSESSA-N 1 0 284.403 3.451 20 70 CGIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1F ZINC000160315825 372237313 /nfs/dbraw/zinc/23/73/13/372237313.db2.gz VRFRAQIAKUBHER-STQMWFEESA-N 1 0 289.354 3.124 20 70 CGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000160321876 372237380 /nfs/dbraw/zinc/23/73/80/372237380.db2.gz OSYREHNPGAIGSV-AEFFLSMTSA-N 1 0 287.403 3.069 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCc1cccc(F)c1 ZINC000159815880 372183396 /nfs/dbraw/zinc/18/33/96/372183396.db2.gz HFFXBNRBBSWYTI-MRXNPFEDSA-N 1 0 287.382 3.159 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc21 ZINC000159853968 372187279 /nfs/dbraw/zinc/18/72/79/372187279.db2.gz PHQVGSCIUSTGAY-AWEZNQCLSA-N 1 0 285.391 3.132 20 70 CGIDRO C[C@H](c1ccco1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159910957 372193194 /nfs/dbraw/zinc/19/31/94/372193194.db2.gz XCWABVSSHHXMPO-CYBMUJFWSA-N 1 0 286.375 3.174 20 70 CGIDRO COC(=O)c1cc(C[NH2+][C@H]2CCCc3sccc32)c[nH]1 ZINC000160982940 372292096 /nfs/dbraw/zinc/29/20/96/372292096.db2.gz YDQVOGKBJHTAQK-LBPRGKRZSA-N 1 0 290.388 3.030 20 70 CGIDRO Cc1c(C[NH2+]Cc2cc3ccccc3s2)cnn1C ZINC000160975569 372292476 /nfs/dbraw/zinc/29/24/76/372292476.db2.gz ARLKXWSUZAQLEE-UHFFFAOYSA-N 1 0 271.389 3.233 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160572894 372259489 /nfs/dbraw/zinc/25/94/89/372259489.db2.gz XROTXJYZPHPOHX-HOTGVXAUSA-N 1 0 290.451 3.043 20 70 CGIDRO Cc1ccc(C)c([C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC000160707917 372269377 /nfs/dbraw/zinc/26/93/77/372269377.db2.gz VLNCECZCBDPQGM-KRWDZBQOSA-N 1 0 288.435 3.307 20 70 CGIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)c1 ZINC000160710853 372269890 /nfs/dbraw/zinc/26/98/90/372269890.db2.gz XJANPUWJHZPWKP-MRXNPFEDSA-N 1 0 296.414 3.384 20 70 CGIDRO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000161281990 372314180 /nfs/dbraw/zinc/31/41/80/372314180.db2.gz PNKOHYHPXMUWMQ-INIZCTEOSA-N 1 0 286.375 3.086 20 70 CGIDRO CC[C@@](C)(O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000161304517 372316562 /nfs/dbraw/zinc/31/65/62/372316562.db2.gz GEDXKELJIXLUSN-GOEBONIOSA-N 1 0 279.449 3.262 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161379671 372320213 /nfs/dbraw/zinc/32/02/13/372320213.db2.gz HRDWAKZYHRLSEB-MRXNPFEDSA-N 1 0 299.393 3.258 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000161415569 372321787 /nfs/dbraw/zinc/32/17/87/372321787.db2.gz TWWAXJLJVDUFDO-HOCLYGCPSA-N 1 0 274.408 3.105 20 70 CGIDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2cccnc2)cc1 ZINC000161415369 372322092 /nfs/dbraw/zinc/32/20/92/372322092.db2.gz ARMYPTJEPOGATI-CQSZACIVSA-N 1 0 268.360 3.314 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000161410400 372322407 /nfs/dbraw/zinc/32/24/07/372322407.db2.gz GPWUUNNEPQUKNL-NVXWUHKLSA-N 1 0 288.435 3.447 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000161422831 372323505 /nfs/dbraw/zinc/32/35/05/372323505.db2.gz FKYCYLXXFQTKTI-BRWVUGGUSA-N 1 0 261.409 3.148 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000161454642 372325799 /nfs/dbraw/zinc/32/57/99/372325799.db2.gz IXQVOHXRHZDMOZ-XQQFMLRXSA-N 1 0 296.842 3.146 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)c1ccccc1)CC2 ZINC000161459156 372326070 /nfs/dbraw/zinc/32/60/70/372326070.db2.gz BWFWNQPCWZJYAN-VQIMIIECSA-N 1 0 297.398 3.048 20 70 CGIDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161459391 372326797 /nfs/dbraw/zinc/32/67/97/372326797.db2.gz JQNUAWGWIUYOBQ-RDJZCZTQSA-N 1 0 261.409 3.487 20 70 CGIDRO COc1cc([C@@H](C)[NH2+]C2CCN(C)CC2)ccc1SC ZINC000161501912 372329157 /nfs/dbraw/zinc/32/91/57/372329157.db2.gz SBLIWZCXFWNJGJ-GFCCVEGCSA-N 1 0 294.464 3.162 20 70 CGIDRO FC(F)(F)Oc1cccc(C[NH2+]CCc2ccncc2)c1 ZINC000217862001 376181771 /nfs/dbraw/zinc/18/17/71/376181771.db2.gz HRNLANZQQSBDFL-UHFFFAOYSA-N 1 0 296.292 3.313 20 70 CGIDRO COc1cc([C@H](C)[NH2+]Cc2cccc(CO)c2)ccc1F ZINC000218244909 376186313 /nfs/dbraw/zinc/18/63/13/376186313.db2.gz PGTSYJBTRQXCLQ-LBPRGKRZSA-N 1 0 289.350 3.177 20 70 CGIDRO CC(C)(O)C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000160647843 542154820 /nfs/dbraw/zinc/15/48/20/542154820.db2.gz GQQOTQRYYRJUCI-NSHDSACASA-N 1 0 271.813 3.237 20 70 CGIDRO CC[C@@H](C)[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161224156 542157823 /nfs/dbraw/zinc/15/78/23/542157823.db2.gz MYJJHBKOOZRUIN-OAHLLOKOSA-N 1 0 297.464 3.112 20 70 CGIDRO CC(C)[C@H](CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161053625 542157375 /nfs/dbraw/zinc/15/73/75/542157375.db2.gz OUWSCDSPTVHOEJ-ULQDDVLXSA-N 1 0 288.435 3.202 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNc1nc2ccc(N)cc2s1 ZINC000218729135 542286570 /nfs/dbraw/zinc/28/65/70/542286570.db2.gz DTBQJWMCFZLQDA-JTQLQIEISA-N 1 0 278.425 3.021 20 70 CGIDRO CCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160462617 392581949 /nfs/dbraw/zinc/58/19/49/392581949.db2.gz WEHULPRFAGJZPS-CVEARBPZSA-N 1 0 290.455 3.240 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2nc(C)sc21 ZINC000160132204 392582327 /nfs/dbraw/zinc/58/23/27/392582327.db2.gz SLYJTDONJLSXKD-WCQYABFASA-N 1 0 281.469 3.149 20 70 CGIDRO COCC[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000217258804 392993874 /nfs/dbraw/zinc/99/38/74/392993874.db2.gz MUIROYJERRYUEV-UHFFFAOYSA-N 1 0 298.224 3.275 20 70 CGIDRO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c(C)n1C ZINC000218588137 392998546 /nfs/dbraw/zinc/99/85/46/392998546.db2.gz HDYKNLQWWFLFHA-DOMZBBRYSA-N 1 0 276.424 3.335 20 70 CGIDRO COC[C@@H]([NH2+][C@@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293162 277571025 /nfs/dbraw/zinc/57/10/25/277571025.db2.gz YIKFNCQHBLIJKL-ZIAGYGMSSA-N 1 0 281.783 3.178 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000160114210 277625684 /nfs/dbraw/zinc/62/56/84/277625684.db2.gz AMIFLALTFUEZQU-WDEREUQCSA-N 1 0 272.392 3.365 20 70 CGIDRO C[C@@H]([NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C1CC1 ZINC000160121856 278335910 /nfs/dbraw/zinc/33/59/10/278335910.db2.gz YWAWCFSNHFWLNK-CQSZACIVSA-N 1 0 290.426 3.221 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159935068 279543272 /nfs/dbraw/zinc/54/32/72/279543272.db2.gz GRMKFTXSBIVWQK-STQMWFEESA-N 1 0 287.407 3.182 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000160326174 295623253 /nfs/dbraw/zinc/62/32/53/295623253.db2.gz JLNPAWSQCBBJRN-HEHGZKQESA-N 1 0 279.449 3.329 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160660724 321855647 /nfs/dbraw/zinc/85/56/47/321855647.db2.gz IFEFSYCIZQCZMC-UXLLHSPISA-N 1 0 288.435 3.374 20 70 CGIDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2cc(F)cc(F)c2)[C@@H]1C ZINC000217143983 329321617 /nfs/dbraw/zinc/32/16/17/329321617.db2.gz CEXKZUMTIDLHOT-HFAKWTLXSA-N 1 0 296.361 3.318 20 70 CGIDRO OCC1(C[NH2+]Cc2ccc3ccccc3c2)CCCC1 ZINC000160109091 534344962 /nfs/dbraw/zinc/34/49/62/534344962.db2.gz DWYCMUOBDIESPM-UHFFFAOYSA-N 1 0 269.388 3.482 20 70 CGIDRO CC[N@H+](CCCO)C1c2ccccc2-c2ccccc21 ZINC000161434398 521034770 /nfs/dbraw/zinc/03/47/70/521034770.db2.gz GIIQKAIAMLRMCT-UHFFFAOYSA-N 1 0 267.372 3.461 20 70 CGIDRO COc1ccc(C[N@H+](C)CCCCn2ccnc2C)cc1 ZINC000161275814 524002430 /nfs/dbraw/zinc/00/24/30/524002430.db2.gz ZWESFWNSFGUGQC-UHFFFAOYSA-N 1 0 287.407 3.112 20 70 CGIDRO C[C@H](CNC(=O)[C@H]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000161212410 524451255 /nfs/dbraw/zinc/45/12/55/524451255.db2.gz RPSIEGSTCSOSFN-OAGGEKHMSA-N 1 0 280.456 3.051 20 70 CGIDRO Cc1nccn1CCCC[NH+]1CCC(OCC(C)C)CC1 ZINC000161494640 527392234 /nfs/dbraw/zinc/39/22/34/527392234.db2.gz ILBZWMDTFOXAQB-UHFFFAOYSA-N 1 0 293.455 3.109 20 70 CGIDRO Nc1cccc(C[NH2+]C2C3CC4CC(C3)CC2C4)c1 ZINC000216715008 572383083 /nfs/dbraw/zinc/38/30/83/572383083.db2.gz VNSSAJARHJPJLA-UHFFFAOYSA-N 1 0 256.393 3.183 20 70 CGIDRO Cc1nc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629855 572395365 /nfs/dbraw/zinc/39/53/65/572395365.db2.gz DMJATZLQANXLHV-GDLCADMTSA-N 1 0 279.453 3.037 20 70 CGIDRO OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1F ZINC000160821899 232246819 /nfs/dbraw/zinc/24/68/19/232246819.db2.gz XYTAKEJXCWESBR-HNNXBMFYSA-N 1 0 293.769 3.172 20 70 CGIDRO C[NH+](C)C1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000159535118 346168108 /nfs/dbraw/zinc/16/81/08/346168108.db2.gz HNIKGIYCBLGURQ-UXBLZVDNSA-N 1 0 286.419 3.033 20 70 CGIDRO CCOc1cc(C[NH2+][C@@H](C)CCSCC)ccc1O ZINC000160063287 188453806 /nfs/dbraw/zinc/45/38/06/188453806.db2.gz XDLLCAHOYXDCMQ-LBPRGKRZSA-N 1 0 283.437 3.412 20 70 CGIDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(OCc2nccn2C)cc1 ZINC000160118489 188456568 /nfs/dbraw/zinc/45/65/68/188456568.db2.gz WUJDHRVYFBXOND-ZIAGYGMSSA-N 1 0 299.418 3.448 20 70 CGIDRO c1ccc(CSCCc2nc3ccccc3[nH]2)nc1 ZINC000218768010 376189703 /nfs/dbraw/zinc/18/97/03/376189703.db2.gz ZTJODACWHNGTNF-UHFFFAOYSA-N 1 0 269.373 3.434 20 70 CGIDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000159376727 372137700 /nfs/dbraw/zinc/13/77/00/372137700.db2.gz DXPCVFWZIMOAOI-NOZJJQNGSA-N 1 0 291.288 3.228 20 70 CGIDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(Cl)s1 ZINC000159411575 372140906 /nfs/dbraw/zinc/14/09/06/372140906.db2.gz RIQFPYYNNURYSM-LLVKDONJSA-N 1 0 290.860 3.020 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000159423006 372143397 /nfs/dbraw/zinc/14/33/97/372143397.db2.gz NFABLRGULXMWNQ-CJNGLKHVSA-N 1 0 271.445 3.109 20 70 CGIDRO Fc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514538 372150799 /nfs/dbraw/zinc/15/07/99/372150799.db2.gz JJMIWIWAGURYAO-UGFHNGPFSA-N 1 0 279.330 3.012 20 70 CGIDRO c1ccc2c(c1)C=C(C[NH2+][C@H]1[C@H]3CCO[C@@H]3C13CCC3)CO2 ZINC000159558833 372155125 /nfs/dbraw/zinc/15/51/25/372155125.db2.gz BEZYUXJZLKTFCM-NJAFHUGGSA-N 1 0 297.398 3.010 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000159567071 372156383 /nfs/dbraw/zinc/15/63/83/372156383.db2.gz OWCZFDXOQTVKDJ-LSDHHAIUSA-N 1 0 277.433 3.038 20 70 CGIDRO C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000159791945 372181762 /nfs/dbraw/zinc/18/17/62/372181762.db2.gz XYIGSJCPCPJAIX-HUUCEWRRSA-N 1 0 294.483 3.392 20 70 CGIDRO CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159644838 372165229 /nfs/dbraw/zinc/16/52/29/372165229.db2.gz NIBGIYZBMQRZQU-IMJJTQAJSA-N 1 0 265.372 3.370 20 70 CGIDRO C[C@@H]1CC[C@H](C)[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160148601 372218141 /nfs/dbraw/zinc/21/81/41/372218141.db2.gz NXHTZBLPDVDNOP-OKILXGFUSA-N 1 0 280.456 3.144 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc21 ZINC000159851667 372187259 /nfs/dbraw/zinc/18/72/59/372187259.db2.gz SUDUIBRIYWTBPN-UONOGXRCSA-N 1 0 285.391 3.117 20 70 CGIDRO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000159908455 372192415 /nfs/dbraw/zinc/19/24/15/372192415.db2.gz CGHIXZSOPQFFCR-RHSMWYFYSA-N 1 0 288.435 3.399 20 70 CGIDRO C[C@@H]1CC[C@H](C)[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159924779 372195158 /nfs/dbraw/zinc/19/51/58/372195158.db2.gz ZQGRWDCQBJRXKG-CABCVRRESA-N 1 0 294.483 3.392 20 70 CGIDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc(C(C)(C)C)ns2)C1 ZINC000159944558 372196531 /nfs/dbraw/zinc/19/65/31/372196531.db2.gz QLYSEZBPYAFVRT-LBPRGKRZSA-N 1 0 296.484 3.225 20 70 CGIDRO CC(C)Oc1c(Cl)cccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160922617 372288975 /nfs/dbraw/zinc/28/89/75/372288975.db2.gz RUWXZMPQGIAGAV-NSHDSACASA-N 1 0 296.798 3.065 20 70 CGIDRO CC(C)[NH+](CCSCc1cccc(C(N)=O)c1)C(C)C ZINC000161051765 372299044 /nfs/dbraw/zinc/29/90/44/372299044.db2.gz UQNVQWJMTZTKGS-UHFFFAOYSA-N 1 0 294.464 3.138 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC000160404674 372244813 /nfs/dbraw/zinc/24/48/13/372244813.db2.gz ZONWLVHJWGZLNV-UONOGXRCSA-N 1 0 294.464 3.088 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160427965 372246227 /nfs/dbraw/zinc/24/62/27/372246227.db2.gz ATXFYZGWUQLBEJ-JKSUJKDBSA-N 1 0 290.451 3.043 20 70 CGIDRO C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC000160538040 372255443 /nfs/dbraw/zinc/25/54/43/372255443.db2.gz YSJMTDDVYQKWHO-PBHICJAKSA-N 1 0 288.435 3.124 20 70 CGIDRO C[NH2+]CC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000160557738 372257832 /nfs/dbraw/zinc/25/78/32/372257832.db2.gz VDDVHBCSDDBUIK-CYBMUJFWSA-N 1 0 282.815 3.153 20 70 CGIDRO CC[C@](C)(O)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000160734617 372271978 /nfs/dbraw/zinc/27/19/78/372271978.db2.gz XPNSHCLLCINNRR-HNNXBMFYSA-N 1 0 283.437 3.010 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000160824078 372279707 /nfs/dbraw/zinc/27/97/07/372279707.db2.gz HMWKDGHKWVPNGI-CQSZACIVSA-N 1 0 287.407 3.450 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000161170608 372307448 /nfs/dbraw/zinc/30/74/48/372307448.db2.gz WGUMFTYVFWNSOQ-STQMWFEESA-N 1 0 252.427 3.273 20 70 CGIDRO Cc1nccn1CCC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000161367196 372319042 /nfs/dbraw/zinc/31/90/42/372319042.db2.gz IGIGPXAJPGOPOG-UHFFFAOYSA-N 1 0 299.418 3.167 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)s1 ZINC000161406452 372321871 /nfs/dbraw/zinc/32/18/71/372321871.db2.gz CCOSIXNTQKPFGU-DZGCQCFKSA-N 1 0 275.417 3.483 20 70 CGIDRO Cc1cccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1F ZINC000161431678 372324101 /nfs/dbraw/zinc/32/41/01/372324101.db2.gz QQHRNBMOMASISP-UHFFFAOYSA-N 1 0 292.398 3.079 20 70 CGIDRO CCC[C@@H]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000161447683 372325637 /nfs/dbraw/zinc/32/56/37/372325637.db2.gz REJBWALWJCFWFB-LSDHHAIUSA-N 1 0 280.456 3.051 20 70 CGIDRO [NH3+][C@H](CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011748 376183539 /nfs/dbraw/zinc/18/35/39/376183539.db2.gz CLIQTFBCHMYLNE-BRWVUGGUSA-N 1 0 286.419 3.258 20 70 CGIDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)nc2)[C@@H]1C ZINC000159556321 542149824 /nfs/dbraw/zinc/14/98/24/542149824.db2.gz HJYOGWZBOSTKKP-UMVBOHGHSA-N 1 0 261.413 3.062 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccc(Br)cn1)C1CCC1 ZINC000160178280 542152815 /nfs/dbraw/zinc/15/28/15/542152815.db2.gz GTNQHEQNERVARX-SECBINFHSA-N 1 0 269.186 3.122 20 70 CGIDRO Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000160386501 542153949 /nfs/dbraw/zinc/15/39/49/542153949.db2.gz KUZXNEVRVWLPOJ-GFCCVEGCSA-N 1 0 292.810 3.053 20 70 CGIDRO CSc1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000160914664 542156623 /nfs/dbraw/zinc/15/66/23/542156623.db2.gz WDHRYCIVZFAXKI-UHFFFAOYSA-N 1 0 263.406 3.187 20 70 CGIDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(C)cc1 ZINC000159479672 392580416 /nfs/dbraw/zinc/58/04/16/392580416.db2.gz GAWYPWKHLLAQOY-MRXNPFEDSA-N 1 0 274.408 3.048 20 70 CGIDRO COC(=O)CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000217223740 392994943 /nfs/dbraw/zinc/99/49/43/392994943.db2.gz JUTFOXNJCPJYDA-AWEZNQCLSA-N 1 0 295.810 3.300 20 70 CGIDRO Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000159913752 292264011 /nfs/dbraw/zinc/26/40/11/292264011.db2.gz WJYFXUMTEXSULR-DLBZAZTESA-N 1 0 286.419 3.048 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CCCC2)C12CCCC2 ZINC000160675658 286384515 /nfs/dbraw/zinc/38/45/15/286384515.db2.gz HQVGSEHWRQUIER-JKSUJKDBSA-N 1 0 294.483 3.188 20 70 CGIDRO CCOC(CCC[NH2+]Cc1cc(F)cc(F)c1)OCC ZINC000159614297 276306709 /nfs/dbraw/zinc/30/67/09/276306709.db2.gz MLWJCBGQVIGTQL-UHFFFAOYSA-N 1 0 287.350 3.234 20 70 CGIDRO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160426442 276672138 /nfs/dbraw/zinc/67/21/38/276672138.db2.gz NEKDMNKCAZWQDU-SJORKVTESA-N 1 0 298.434 3.205 20 70 CGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@H]21 ZINC000161306243 277066319 /nfs/dbraw/zinc/06/63/19/277066319.db2.gz VOWLTPNTNPWGNG-HZPDHXFCSA-N 1 0 292.467 3.146 20 70 CGIDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)O)c2cccc(Br)c21 ZINC000160636098 280008976 /nfs/dbraw/zinc/00/89/76/280008976.db2.gz ZBMYGMTYWVCIPS-CABZTGNLSA-N 1 0 298.224 3.358 20 70 CGIDRO CC[C@H]([NH2+]CCc1cc(C)cc(C)c1)[C@H]1CCOC1 ZINC000159499012 321835794 /nfs/dbraw/zinc/83/57/94/321835794.db2.gz HXAFESIJJNBSKZ-IRXDYDNUSA-N 1 0 261.409 3.251 20 70 CGIDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159535225 321836577 /nfs/dbraw/zinc/83/65/77/321836577.db2.gz FTBGFDKLEPDRFT-KBPBESRZSA-N 1 0 292.448 3.197 20 70 CGIDRO c1sc(C2CC2)nc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159589202 321837264 /nfs/dbraw/zinc/83/72/64/321837264.db2.gz UFWMHSAFKUIBGK-MJBXVCDLSA-N 1 0 290.432 3.068 20 70 CGIDRO CN(CCc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000159845805 321841988 /nfs/dbraw/zinc/84/19/88/321841988.db2.gz QNGVQYBPNIGTTF-UHFFFAOYSA-N 1 0 296.414 3.063 20 70 CGIDRO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000159982628 321844326 /nfs/dbraw/zinc/84/43/26/321844326.db2.gz XMLFUDFFKPNCMT-OAHLLOKOSA-N 1 0 298.377 3.168 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1=O)C1CCC1 ZINC000160215939 321848543 /nfs/dbraw/zinc/84/85/43/321848543.db2.gz IFLKJHUDSNBEMC-WFASDCNBSA-N 1 0 290.382 3.099 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000160272833 321849080 /nfs/dbraw/zinc/84/90/80/321849080.db2.gz PUNWFMMHCLJTDO-IPYPFGDCSA-N 1 0 273.486 3.295 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000160433721 321851956 /nfs/dbraw/zinc/85/19/56/321851956.db2.gz VZRHHJQWONWNGK-LXTVHRRPSA-N 1 0 273.486 3.151 20 70 CGIDRO Cc1cccc(C)c1OCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000161238496 321864723 /nfs/dbraw/zinc/86/47/23/321864723.db2.gz OKRGGNLNKVARKT-INIZCTEOSA-N 1 0 291.435 3.477 20 70 CGIDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000159981089 534094985 /nfs/dbraw/zinc/09/49/85/534094985.db2.gz PYUXLTSCNVWTBE-RDJZCZTQSA-N 1 0 261.409 3.245 20 70 CGIDRO CCN(CC)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000160947858 520508146 /nfs/dbraw/zinc/50/81/46/520508146.db2.gz JONVSTTVMPNISE-UHFFFAOYSA-N 1 0 295.471 3.081 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1cc(C)cc(C)c1)c1cnn(C)c1 ZINC000161239860 522836005 /nfs/dbraw/zinc/83/60/05/522836005.db2.gz XQLIEQHRSMJVQV-QGZVFWFLSA-N 1 0 287.407 3.157 20 70 CGIDRO Cc1cccc(C(=O)Nc2ccc(C[NH+](C)C)cc2)c1F ZINC000161435073 524216042 /nfs/dbraw/zinc/21/60/42/524216042.db2.gz UOEQSWAZQXHSBC-UHFFFAOYSA-N 1 0 286.350 3.448 20 70 CGIDRO C[C@@H](CNCc1cc(F)cc(Cl)c1)C[NH+]1CCCC1 ZINC000160935056 524741024 /nfs/dbraw/zinc/74/10/24/524741024.db2.gz PKHYUGFEQOCRFF-LBPRGKRZSA-N 1 0 284.806 3.301 20 70 CGIDRO C[C@H]1C[C@H](C)C[NH+](Cc2csc(C3CC3)n2)C1 ZINC000161262187 524885342 /nfs/dbraw/zinc/88/53/42/524885342.db2.gz JBYWRRFYIKGKSB-QWRGUYRKSA-N 1 0 250.411 3.498 20 70 CGIDRO c1ccc2oc(C3CC[NH+](CC4=CCCOC4)CC3)nc2c1 ZINC000161065246 526519760 /nfs/dbraw/zinc/51/97/60/526519760.db2.gz WTQDMNKZAFKLSW-UHFFFAOYSA-N 1 0 298.386 3.354 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000160399823 528661806 /nfs/dbraw/zinc/66/18/06/528661806.db2.gz IPEGTLYPABJPBT-HNNXBMFYSA-N 1 0 291.391 3.021 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000160111923 529689865 /nfs/dbraw/zinc/68/98/65/529689865.db2.gz AQSLFMFPYNQDBF-RYUDHWBXSA-N 1 0 270.367 3.346 20 70 CGIDRO Fc1ccc(F)c2c1CCN(CCC[NH+]1CCCCC1)C2 ZINC000161491779 232250225 /nfs/dbraw/zinc/25/02/25/232250225.db2.gz UHPMEWFZLFFWAB-UHFFFAOYSA-N 1 0 294.389 3.199 20 70 CGIDRO CC[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1C)c1ccc(C)cc1 ZINC000160130552 346170133 /nfs/dbraw/zinc/17/01/33/346170133.db2.gz GCNNKGGWKZXYNK-NVXWUHKLSA-N 1 0 288.435 3.089 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000160422800 346170903 /nfs/dbraw/zinc/17/09/03/346170903.db2.gz DQFOQZKEYCYUIT-KGLIPLIRSA-N 1 0 292.448 3.396 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1(C)C ZINC000217891942 346291919 /nfs/dbraw/zinc/29/19/19/346291919.db2.gz TXMZMXBRQFJCLE-JKSUJKDBSA-N 1 0 272.392 3.461 20 70 CGIDRO c1cnc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2c1 ZINC000159478283 188427315 /nfs/dbraw/zinc/42/73/15/188427315.db2.gz YAPOJXIEQDOQEW-NXHRZFHOSA-N 1 0 294.398 3.282 20 70 CGIDRO C[C@H](NC(=O)CC1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000159628237 188434511 /nfs/dbraw/zinc/43/45/11/188434511.db2.gz FFKLJZMBOAAEIH-JTQLQIEISA-N 1 0 298.789 3.046 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000160462354 188474863 /nfs/dbraw/zinc/47/48/63/188474863.db2.gz LJJXJMMTMKFYRB-CYBMUJFWSA-N 1 0 259.349 3.480 20 70 CGIDRO Brc1cncc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000160584523 188482412 /nfs/dbraw/zinc/48/24/12/188482412.db2.gz NOXPURIOIVHLDX-LBPRGKRZSA-N 1 0 267.170 3.042 20 70 CGIDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccccc1OC ZINC000161323770 188521906 /nfs/dbraw/zinc/52/19/06/188521906.db2.gz BGHCQRRILDECDJ-ZDUSSCGKSA-N 1 0 265.397 3.145 20 70 CGIDRO CCC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccccc1 ZINC000160148421 283568525 /nfs/dbraw/zinc/56/85/25/283568525.db2.gz RYUSPLYNNVEROO-LSDHHAIUSA-N 1 0 267.438 3.231 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccco1 ZINC000159373881 372135786 /nfs/dbraw/zinc/13/57/86/372135786.db2.gz UHSFBAKCIMRGQN-HOCLYGCPSA-N 1 0 267.413 3.378 20 70 CGIDRO COCCC1(C[NH2+][C@H](C)c2ccccn2)CCCC1 ZINC000159376340 372137669 /nfs/dbraw/zinc/13/76/69/372137669.db2.gz PCHLNXRAOJRLCO-CQSZACIVSA-N 1 0 262.397 3.329 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000159433488 372143119 /nfs/dbraw/zinc/14/31/19/372143119.db2.gz YAOSTAGEFVCFLH-MJBXVCDLSA-N 1 0 259.459 3.311 20 70 CGIDRO CCOCCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000159471395 372147100 /nfs/dbraw/zinc/14/71/00/372147100.db2.gz BFARXOWZZZBQQL-UHFFFAOYSA-N 1 0 289.419 3.316 20 70 CGIDRO Cc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159477756 372147984 /nfs/dbraw/zinc/14/79/84/372147984.db2.gz FIHCJSVEIACDBL-OAGGEKHMSA-N 1 0 257.377 3.042 20 70 CGIDRO Cc1cc(C)cc(CC[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000159514263 372151000 /nfs/dbraw/zinc/15/10/00/372151000.db2.gz SZBJJXXUEARTRZ-KRWDZBQOSA-N 1 0 283.419 3.247 20 70 CGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000159503785 372151107 /nfs/dbraw/zinc/15/11/07/372151107.db2.gz GAVWSIFNDHVNJQ-INIZCTEOSA-N 1 0 290.451 3.083 20 70 CGIDRO C[C@@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000159626975 372162417 /nfs/dbraw/zinc/16/24/17/372162417.db2.gz JGFRENDNLQTPKK-SCVCMEIPSA-N 1 0 298.789 3.174 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000159685556 372168193 /nfs/dbraw/zinc/16/81/93/372168193.db2.gz QNRQSIJFVYAWBC-HZPDHXFCSA-N 1 0 298.434 3.048 20 70 CGIDRO CCCCC1CCC(C(=O)N(C)[C@H](C[NH3+])C2CC2)CC1 ZINC000159784681 372179404 /nfs/dbraw/zinc/17/94/04/372179404.db2.gz KELOIDBFZSGMCA-AVVWSFFYSA-N 1 0 280.456 3.179 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000159782003 372179441 /nfs/dbraw/zinc/17/94/41/372179441.db2.gz HBDRCDHCJJYYAE-YQQAZPJKSA-N 1 0 288.435 3.150 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000159788486 372179478 /nfs/dbraw/zinc/17/94/78/372179478.db2.gz TVZZMDCWINJTOY-GJZGRUSLSA-N 1 0 299.393 3.459 20 70 CGIDRO CC1(C)CCCC[C@@H]1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160133272 372216985 /nfs/dbraw/zinc/21/69/85/372216985.db2.gz XLFABQJVMFXJTB-HUUCEWRRSA-N 1 0 292.467 3.193 20 70 CGIDRO CC1(C)CCCC[C@H]1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160133150 372217130 /nfs/dbraw/zinc/21/71/30/372217130.db2.gz XLFABQJVMFXJTB-GJZGRUSLSA-N 1 0 292.467 3.193 20 70 CGIDRO CCc1ccc([C@H](C)NCC[N@@H+](C)[C@@H](C)CC)o1 ZINC000160152000 372218176 /nfs/dbraw/zinc/21/81/76/372218176.db2.gz BFPGGAYQOHXYJC-STQMWFEESA-N 1 0 252.402 3.223 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]C[C@H]2CCC(C)(C)O2)cc1 ZINC000160310536 372238011 /nfs/dbraw/zinc/23/80/11/372238011.db2.gz WITLAQFFODSSDJ-SWLSCSKDSA-N 1 0 263.381 3.303 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc21 ZINC000159851415 372187154 /nfs/dbraw/zinc/18/71/54/372187154.db2.gz SUDUIBRIYWTBPN-KBPBESRZSA-N 1 0 285.391 3.117 20 70 CGIDRO C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CCN(C)CC1 ZINC000159905393 372193074 /nfs/dbraw/zinc/19/30/74/372193074.db2.gz VIMIRTVIUYSMDV-ACCUITESSA-N 1 0 278.827 3.427 20 70 CGIDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160001531 372203528 /nfs/dbraw/zinc/20/35/28/372203528.db2.gz DEXUZCPYTMUGJL-UONOGXRCSA-N 1 0 280.456 3.001 20 70 CGIDRO Cc1cc2cc([C@@H](C)[NH2+]CC(=O)NC(C)C)oc2cc1C ZINC000160923578 372289211 /nfs/dbraw/zinc/28/92/11/372289211.db2.gz ADPTWPNCMDMXAS-CYBMUJFWSA-N 1 0 288.391 3.225 20 70 CGIDRO C[C@H](CC(=O)N1CCCC(C)(C)CC1)C1CC[NH2+]CC1 ZINC000161045023 372298275 /nfs/dbraw/zinc/29/82/75/372298275.db2.gz ANTUQRPDVUGGFI-CQSZACIVSA-N 1 0 280.456 3.051 20 70 CGIDRO CCC[N@@H+](Cc1c(C)nc2ccccn21)CC1CC1 ZINC000160421068 372246099 /nfs/dbraw/zinc/24/60/99/372246099.db2.gz OXUFRASWLHLTNJ-UHFFFAOYSA-N 1 0 257.381 3.265 20 70 CGIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1cncc(F)c1 ZINC000160496226 372251518 /nfs/dbraw/zinc/25/15/18/372251518.db2.gz NFZFCNPGUULXDG-CYBMUJFWSA-N 1 0 291.414 3.278 20 70 CGIDRO CCCN(Cc1ccccc1)Cc1nc(CC)cc(=O)[nH]1 ZINC000160520368 372254047 /nfs/dbraw/zinc/25/40/47/372254047.db2.gz GHPIIXCWPFKHGN-UHFFFAOYSA-N 1 0 285.391 3.157 20 70 CGIDRO Cc1cccc([C@H]2CCCN2C(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000160723182 372271068 /nfs/dbraw/zinc/27/10/68/372271068.db2.gz RGETZEVAEQYHSL-DOTOQJQBSA-N 1 0 286.419 3.109 20 70 CGIDRO C[C@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CCN1C ZINC000160811601 372277807 /nfs/dbraw/zinc/27/78/07/372277807.db2.gz HWCOVEHGGDJEHN-RDJZCZTQSA-N 1 0 298.430 3.291 20 70 CGIDRO CC(C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000160874960 372286032 /nfs/dbraw/zinc/28/60/32/372286032.db2.gz ZEYOFDRMHQTHPY-ZACQAIPSSA-N 1 0 294.483 3.439 20 70 CGIDRO CN(Cc1cncs1)Cc1cccc(Cl)c1 ZINC000161127809 372304652 /nfs/dbraw/zinc/30/46/52/372304652.db2.gz UQDHWRCJTIBYFF-UHFFFAOYSA-N 1 0 252.770 3.429 20 70 CGIDRO Cn1ccc(C[N@H+](C)CCOc2ccc(Cl)cc2)c1 ZINC000161156970 372306021 /nfs/dbraw/zinc/30/60/21/372306021.db2.gz ICQCZXLJQNKNOI-UHFFFAOYSA-N 1 0 278.783 3.189 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000161145172 372306155 /nfs/dbraw/zinc/30/61/55/372306155.db2.gz ALBQLMAPFNMYCN-ZDUSSCGKSA-N 1 0 299.370 3.317 20 70 CGIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000161230293 372310877 /nfs/dbraw/zinc/31/08/77/372310877.db2.gz JZRLBZQNGZUOBV-GXTWGEPZSA-N 1 0 262.397 3.017 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccnc(C3CC3)n2)C1 ZINC000161315924 372316472 /nfs/dbraw/zinc/31/64/72/372316472.db2.gz VULBXRXSKYKIOE-AWEZNQCLSA-N 1 0 288.439 3.134 20 70 CGIDRO Cc1c(C[NH2+]Cc2ccc(C(C)(C)C)cc2)cnn1C ZINC000161306187 372316527 /nfs/dbraw/zinc/31/65/27/372316527.db2.gz AKUUINKZYGJNFC-UHFFFAOYSA-N 1 0 271.408 3.316 20 70 CGIDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000161429214 372323581 /nfs/dbraw/zinc/32/35/81/372323581.db2.gz QYGBAEWPPQIIHA-DZGCQCFKSA-N 1 0 278.444 3.397 20 70 CGIDRO CN1CCC([NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000161461494 372328025 /nfs/dbraw/zinc/32/80/25/372328025.db2.gz ZXBFZSYTKRWLQW-DLBZAZTESA-N 1 0 258.409 3.007 20 70 CGIDRO CCOc1cc(Cl)ccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161501992 372328714 /nfs/dbraw/zinc/32/87/14/372328714.db2.gz XMNHZNFAAQDCTG-ZYHUDNBSSA-N 1 0 296.798 3.195 20 70 CGIDRO C[C@H](CSC(C)(C)C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161490771 372329438 /nfs/dbraw/zinc/32/94/38/372329438.db2.gz FXHQZZHRPUIBPW-HIFRSBDPSA-N 1 0 281.465 3.272 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000160053536 542152661 /nfs/dbraw/zinc/15/26/61/542152661.db2.gz RPHGVPPZSRQERS-LBPRGKRZSA-N 1 0 291.370 3.292 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)CCO1 ZINC000160434785 542153854 /nfs/dbraw/zinc/15/38/54/542153854.db2.gz NPEJGFBNWODNJS-NSHDSACASA-N 1 0 292.404 3.450 20 70 CGIDRO CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000161285068 542157863 /nfs/dbraw/zinc/15/78/63/542157863.db2.gz PGKFSHMIVCRKJR-VXGBXAGGSA-N 1 0 294.826 3.004 20 70 CGIDRO C[C@@H](Cc1cccs1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160975392 542157397 /nfs/dbraw/zinc/15/73/97/542157397.db2.gz MWSWJKOKIZPIRW-FZMZJTMJSA-N 1 0 288.416 3.035 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634213 270085311 /nfs/dbraw/zinc/08/53/11/270085311.db2.gz OEOFXZWPOKCVHF-KYNGSXCRSA-N 1 0 284.447 3.453 20 70 CGIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159385604 321833872 /nfs/dbraw/zinc/83/38/72/321833872.db2.gz QFTKZPVZQZNBML-ZWKOTPCHSA-N 1 0 293.451 3.021 20 70 CGIDRO CCc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159599029 321837097 /nfs/dbraw/zinc/83/70/97/321837097.db2.gz VRBGDFGOPRVHPM-BBWFWOEESA-N 1 0 271.404 3.296 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000160333764 321850374 /nfs/dbraw/zinc/85/03/74/321850374.db2.gz BPBCIGVYODKEDP-CQSZACIVSA-N 1 0 287.407 3.273 20 70 CGIDRO CC(C)c1ncc(C[NH2+][C@H]2CCOC(C)(C)C2)s1 ZINC000160548036 321853754 /nfs/dbraw/zinc/85/37/54/321853754.db2.gz MIWQHBCTSDGDKF-NSHDSACASA-N 1 0 268.426 3.314 20 70 CGIDRO COc1cccc(C[C@H]([NH2+]CC(C)(C)O)c2ccccc2)c1 ZINC000160603618 321854251 /nfs/dbraw/zinc/85/42/51/321854251.db2.gz LOWQUFCRNMVZBU-SFHVURJKSA-N 1 0 299.414 3.340 20 70 CGIDRO CC[C@@H]([NH2+]CCCOCc1ccc(OC)cc1)C1CC1 ZINC000161100482 321861845 /nfs/dbraw/zinc/86/18/45/321861845.db2.gz ZQPXDBMLGBGFKJ-QGZVFWFLSA-N 1 0 277.408 3.380 20 70 CGIDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1 ZINC000159981197 533740256 /nfs/dbraw/zinc/74/02/56/533740256.db2.gz PYUXLTSCNVWTBE-WBVHZDCISA-N 1 0 261.409 3.245 20 70 CGIDRO CC1CCN(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160912174 521013860 /nfs/dbraw/zinc/01/38/60/521013860.db2.gz UFADSIQHOVAGCC-UHFFFAOYSA-N 1 0 284.806 3.301 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876292 525491286 /nfs/dbraw/zinc/49/12/86/525491286.db2.gz LCEKSWFGMVROKQ-LSDHHAIUSA-N 1 0 272.392 3.451 20 70 CGIDRO CCCCOCCC[NH2+]Cc1nn(CC)c2ccccc12 ZINC000160295398 528587304 /nfs/dbraw/zinc/58/73/04/528587304.db2.gz ACIPSGZAQMQJBU-UHFFFAOYSA-N 1 0 289.423 3.353 20 70 CGIDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(OC)c(OC)c1 ZINC000217619510 572394685 /nfs/dbraw/zinc/39/46/85/572394685.db2.gz ZEVJTEFPKDFIMC-KFWWJZLASA-N 1 0 293.407 3.048 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000160898513 282091277 /nfs/dbraw/zinc/09/12/77/282091277.db2.gz PYVQBHRPXWIPKT-STQMWFEESA-N 1 0 257.381 3.263 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)[C@@H](C)C1CCCCC1)CC2 ZINC000160441915 282118623 /nfs/dbraw/zinc/11/86/23/282118623.db2.gz BQENCKNXTBQGPR-IOASZLSFSA-N 1 0 290.455 3.096 20 70 CGIDRO C[N@H+](CCNCc1cc(F)cc(Cl)c1)C1CCCC1 ZINC000160937063 529916872 /nfs/dbraw/zinc/91/68/72/529916872.db2.gz LCDKYCXYMLYWPG-UHFFFAOYSA-N 1 0 284.806 3.443 20 70 CGIDRO CN1CCC[C@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160983103 530063645 /nfs/dbraw/zinc/06/36/45/530063645.db2.gz GPBQNRVHKFDGEB-NSHDSACASA-N 1 0 290.304 3.028 20 70 CGIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)cnn1C ZINC000159713301 232242116 /nfs/dbraw/zinc/24/21/16/232242116.db2.gz YBOFAMQINZVVAS-JTQLQIEISA-N 1 0 295.333 3.181 20 70 CGIDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160281764 232244531 /nfs/dbraw/zinc/24/45/31/232244531.db2.gz JYHRCMNCFSYWNZ-IUODEOHRSA-N 1 0 265.372 3.304 20 70 CGIDRO COCCOCCCCNc1nccc2ccccc21 ZINC000159398093 346167730 /nfs/dbraw/zinc/16/77/30/346167730.db2.gz VYIQMZWDVASMJE-UHFFFAOYSA-N 1 0 274.364 3.090 20 70 CGIDRO Cc1cccc([C@@H](C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000159754629 346168330 /nfs/dbraw/zinc/16/83/30/346168330.db2.gz ZTKPQZHOAUBXHY-JKSUJKDBSA-N 1 0 288.435 3.089 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000161052252 346174575 /nfs/dbraw/zinc/17/45/75/346174575.db2.gz GKPVXQWMNUKJPR-ZDUSSCGKSA-N 1 0 296.842 3.118 20 70 CGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000159503219 188429459 /nfs/dbraw/zinc/42/94/59/188429459.db2.gz VCYQTRXNBNGRJE-QWHCGFSZSA-N 1 0 295.448 3.319 20 70 CGIDRO CC[C@@H](C)[NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1 ZINC000161102291 188507938 /nfs/dbraw/zinc/50/79/38/188507938.db2.gz BDUJJUASKILFTO-OLZOCXBDSA-N 1 0 262.397 3.103 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C ZINC000161338223 188522921 /nfs/dbraw/zinc/52/29/21/188522921.db2.gz OMZIZDFRFQKVRE-WMLDXEAASA-N 1 0 288.435 3.213 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000159389779 372137299 /nfs/dbraw/zinc/13/72/99/372137299.db2.gz PLOSILGSXVRRFR-DGAVXFQQSA-N 1 0 257.443 3.065 20 70 CGIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCCSC1 ZINC000159542852 372154379 /nfs/dbraw/zinc/15/43/79/372154379.db2.gz MWWLRGRWPAGHQV-HOTGVXAUSA-N 1 0 297.439 3.259 20 70 CGIDRO C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159793466 372181633 /nfs/dbraw/zinc/18/16/33/372181633.db2.gz LMPJHIXJUFAJDE-JTQLQIEISA-N 1 0 283.297 3.290 20 70 CGIDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159624115 372163124 /nfs/dbraw/zinc/16/31/24/372163124.db2.gz DBVYQEKDSRCQCF-VXGBXAGGSA-N 1 0 296.484 3.002 20 70 CGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000159654860 372164314 /nfs/dbraw/zinc/16/43/14/372164314.db2.gz OQNYDHUCIGCQDN-UHFFFAOYSA-N 1 0 294.483 3.393 20 70 CGIDRO CCOC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159677298 372167490 /nfs/dbraw/zinc/16/74/90/372167490.db2.gz VRCYKESFRIEUEO-MRXNPFEDSA-N 1 0 289.419 3.316 20 70 CGIDRO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCn1ccnc1 ZINC000159688720 372169792 /nfs/dbraw/zinc/16/97/92/372169792.db2.gz RPFZJVXRWPWTLQ-CYBMUJFWSA-N 1 0 269.348 3.322 20 70 CGIDRO C[N@H+](CCSc1ccc(F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159747068 372175301 /nfs/dbraw/zinc/17/53/01/372175301.db2.gz BQMCOUGTMOBRSY-DOMZBBRYSA-N 1 0 283.412 3.011 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1C ZINC000159753408 372175467 /nfs/dbraw/zinc/17/54/67/372175467.db2.gz NGOBVJMMFNBTSG-UHFFFAOYSA-N 1 0 295.386 3.283 20 70 CGIDRO CCc1nn(C)c(CC)c1C[NH2+]CCCC(C)C ZINC000159745457 372175527 /nfs/dbraw/zinc/17/55/27/372175527.db2.gz YUANFBULALWHKK-UHFFFAOYSA-N 1 0 251.418 3.071 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2ccnc2)c1 ZINC000159769832 372178753 /nfs/dbraw/zinc/17/87/53/372178753.db2.gz QCTJTFGOBSFXSR-MRXNPFEDSA-N 1 0 255.365 3.029 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccccc1OC ZINC000160086523 372210163 /nfs/dbraw/zinc/21/01/63/372210163.db2.gz ZJWNAUMLVQAIBJ-KBPBESRZSA-N 1 0 264.413 3.076 20 70 CGIDRO CCCNC(=O)CC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000160100670 372212457 /nfs/dbraw/zinc/21/24/57/372212457.db2.gz BQFGNJTUFFMCIC-ACCUITESSA-N 1 0 294.826 3.249 20 70 CGIDRO Cc1nc(CN2CCC[C@@H]2c2cccc(C)n2)oc1C ZINC000160148888 372218983 /nfs/dbraw/zinc/21/89/83/372218983.db2.gz CKGVIDSMJYHAIT-OAHLLOKOSA-N 1 0 271.364 3.332 20 70 CGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000160155763 372219067 /nfs/dbraw/zinc/21/90/67/372219067.db2.gz HZNRLFFYDOLXOG-OAHLLOKOSA-N 1 0 296.370 3.042 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)sc1C ZINC000160181671 372222455 /nfs/dbraw/zinc/22/24/55/372222455.db2.gz DASFUPJPJNDKJS-ZYHUDNBSSA-N 1 0 273.467 3.130 20 70 CGIDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)C1CCOCC1 ZINC000160264359 372231285 /nfs/dbraw/zinc/23/12/85/372231285.db2.gz VUSLTZPYWPSPIP-GFCCVEGCSA-N 1 0 283.799 3.124 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)OC(C)(C)C)n1 ZINC000160256158 372231621 /nfs/dbraw/zinc/23/16/21/372231621.db2.gz SDTDUJCOBRYXOF-HNNXBMFYSA-N 1 0 290.407 3.259 20 70 CGIDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)C1CCOCC1 ZINC000160264228 372232383 /nfs/dbraw/zinc/23/23/83/372232383.db2.gz VUSLTZPYWPSPIP-LBPRGKRZSA-N 1 0 283.799 3.124 20 70 CGIDRO CCC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1 ZINC000160296624 372235395 /nfs/dbraw/zinc/23/53/95/372235395.db2.gz VXVWKTKZBDFZRU-CVEARBPZSA-N 1 0 284.407 3.032 20 70 CGIDRO CC(C)CCOc1ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000160304814 372235972 /nfs/dbraw/zinc/23/59/72/372235972.db2.gz ZVKPQFPFFQLUTK-OAHLLOKOSA-N 1 0 292.423 3.423 20 70 CGIDRO CC[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317016 372237999 /nfs/dbraw/zinc/23/79/99/372237999.db2.gz GABHVGVUSGSCKU-GXTWGEPZSA-N 1 0 291.370 3.067 20 70 CGIDRO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2CC(C)C)no1 ZINC000160331075 372239979 /nfs/dbraw/zinc/23/99/79/372239979.db2.gz GWNSUPBOMWGPGV-CQSZACIVSA-N 1 0 293.411 3.212 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000159812953 372183199 /nfs/dbraw/zinc/18/31/99/372183199.db2.gz QDXNAGMVTXFLGW-INIZCTEOSA-N 1 0 277.408 3.129 20 70 CGIDRO C[N@H+](CCSc1ccccc1F)C[C@H]1CCC[C@@H]1O ZINC000159840712 372186329 /nfs/dbraw/zinc/18/63/29/372186329.db2.gz PDGVGYQRFLYYFA-OCCSQVGLSA-N 1 0 283.412 3.011 20 70 CGIDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159842228 372187699 /nfs/dbraw/zinc/18/76/99/372187699.db2.gz LHCVIWDVQPDUCX-GHMZBOCLSA-N 1 0 282.457 3.120 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000159858512 372187762 /nfs/dbraw/zinc/18/77/62/372187762.db2.gz GPUOJGQSJDAMMO-UHFFFAOYSA-N 1 0 287.359 3.041 20 70 CGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000159904450 372192203 /nfs/dbraw/zinc/19/22/03/372192203.db2.gz JVCPKOZYPNFBRE-UHFFFAOYSA-N 1 0 280.456 3.003 20 70 CGIDRO COc1cc(NC2CC[NH+](C(C)C)CC2)ccc1F ZINC000160016497 372205114 /nfs/dbraw/zinc/20/51/14/372205114.db2.gz OMHJTJGRWXWBJG-UHFFFAOYSA-N 1 0 266.360 3.119 20 70 CGIDRO CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cccc(Cl)c1Cl ZINC000160987541 372292613 /nfs/dbraw/zinc/29/26/13/372292613.db2.gz ADHGPSZDZTWJFU-KWQFWETISA-N 1 0 289.206 3.298 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[C@H](C)C2)CC1 ZINC000161088588 372300157 /nfs/dbraw/zinc/30/01/57/372300157.db2.gz UDJCHVAVHMXIDB-HOCLYGCPSA-N 1 0 280.456 3.051 20 70 CGIDRO CCc1ccc([C@@H](C)CC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160440467 372247905 /nfs/dbraw/zinc/24/79/05/372247905.db2.gz MPSFAEDTGWHWCU-AWEZNQCLSA-N 1 0 290.451 3.376 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cnc(C3CCC3)s2)CCO1 ZINC000160504143 372254511 /nfs/dbraw/zinc/25/45/11/372254511.db2.gz DXDJIULNVSXHCO-GFCCVEGCSA-N 1 0 280.437 3.458 20 70 CGIDRO COC(C[N@@H+]1CCCCC[C@@H]1c1ccccc1)OC ZINC000160622010 372262317 /nfs/dbraw/zinc/26/23/17/372262317.db2.gz RVECDINHOKTEON-OAHLLOKOSA-N 1 0 263.381 3.223 20 70 CGIDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CC(C)(C)O ZINC000160609543 372262803 /nfs/dbraw/zinc/26/28/03/372262803.db2.gz KOCCQECKFOORTE-JTQLQIEISA-N 1 0 271.788 3.160 20 70 CGIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@H]1CCc1ccccc1 ZINC000160652656 372264507 /nfs/dbraw/zinc/26/45/07/372264507.db2.gz CIKQNZHMZQZUCZ-HOTGVXAUSA-N 1 0 261.409 3.148 20 70 CGIDRO COc1cc(C)c([C@H](C)[NH2+]CCOCC(C)C)cc1OC ZINC000160665314 372265950 /nfs/dbraw/zinc/26/59/50/372265950.db2.gz JSSGQSDSVZIATQ-AWEZNQCLSA-N 1 0 295.423 3.335 20 70 CGIDRO CC[N@H+](CCNC(=O)c1ccc(F)c(SC)c1)C(C)C ZINC000160811825 372277769 /nfs/dbraw/zinc/27/77/69/372277769.db2.gz JVAQYZSMINUHCQ-UHFFFAOYSA-N 1 0 298.427 3.008 20 70 CGIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000161128959 372303868 /nfs/dbraw/zinc/30/38/68/372303868.db2.gz GCUGNPFMTGKLKV-NSHDSACASA-N 1 0 277.339 3.335 20 70 CGIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000161132382 372304307 /nfs/dbraw/zinc/30/43/07/372304307.db2.gz PJZROXCVJMUZSV-SNVBAGLBSA-N 1 0 294.395 3.198 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(C)c(C)cc1OC(F)F ZINC000161230647 372311430 /nfs/dbraw/zinc/31/14/30/372311430.db2.gz UHQCAUWKKDTKBE-UHFFFAOYSA-N 1 0 287.350 3.109 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CC[NH2+]C(C)C)C1 ZINC000161290232 372314926 /nfs/dbraw/zinc/31/49/26/372314926.db2.gz PXTLFUZGHCQTJU-HZPDHXFCSA-N 1 0 288.435 3.088 20 70 CGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C3CCC(C)(C)CC3)CC[C@@H]21 ZINC000161306358 372316135 /nfs/dbraw/zinc/31/61/35/372316135.db2.gz VOWLTPNTNPWGNG-CVEARBPZSA-N 1 0 292.467 3.146 20 70 CGIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161479911 372327753 /nfs/dbraw/zinc/32/77/53/372327753.db2.gz CVJXWBVQPOYOHK-WBVHZDCISA-N 1 0 299.414 3.430 20 70 CGIDRO CC[C@@](C)(CCO)[NH2+]Cc1ccccc1C(F)(F)F ZINC000218101663 376184668 /nfs/dbraw/zinc/18/46/68/376184668.db2.gz IWFJIYBQOMXWCN-ZDUSSCGKSA-N 1 0 275.314 3.346 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1Br ZINC000218118316 376184985 /nfs/dbraw/zinc/18/49/85/376184985.db2.gz QTKVWQMDZLFENA-LLVKDONJSA-N 1 0 286.238 3.353 20 70 CGIDRO C[C@H]1C[C@H]1c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000218118222 376185480 /nfs/dbraw/zinc/18/54/80/376185480.db2.gz GNIUMPNSCRORRY-WCQYABFASA-N 1 0 294.395 3.017 20 70 CGIDRO CC(C)C[C@H]1CCCCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000159916438 542151602 /nfs/dbraw/zinc/15/16/02/542151602.db2.gz FDIFNDJELQKBTL-CYBMUJFWSA-N 1 0 278.396 3.169 20 70 CGIDRO c1ccc(CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000159898302 542151840 /nfs/dbraw/zinc/15/18/40/542151840.db2.gz MBDZQJDRLZVXAV-ZWKOTPCHSA-N 1 0 272.436 3.226 20 70 CGIDRO CCn1nccc1C[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000159915794 542151893 /nfs/dbraw/zinc/15/18/93/542151893.db2.gz BTSCLNWYLRSQKT-UHFFFAOYSA-N 1 0 295.386 3.355 20 70 CGIDRO CC[C@H](NC(=O)CC1([NH3+])CCC1)C(C)(C)c1ccccc1 ZINC000160763299 542156793 /nfs/dbraw/zinc/15/67/93/542156793.db2.gz NATPMQXODOGDSN-HNNXBMFYSA-N 1 0 288.435 3.131 20 70 CGIDRO CC[C@@H](Cc1ccccc1)N(CC)C(=O)CC1([NH3+])CCC1 ZINC000161437286 542158916 /nfs/dbraw/zinc/15/89/16/542158916.db2.gz GOLAQWFSGGAMGQ-INIZCTEOSA-N 1 0 288.435 3.128 20 70 CGIDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[C@@H](c2ccccc2)C1 ZINC000160659171 533641478 /nfs/dbraw/zinc/64/14/78/533641478.db2.gz OTCWJWWULOBEKU-CWRNSKLLSA-N 1 0 261.409 3.319 20 70 CGIDRO CN1CC[N@H+](CCOc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000216734326 392992346 /nfs/dbraw/zinc/99/23/46/392992346.db2.gz VWPDVFKUJKSRSZ-LJQANCHMSA-N 1 0 296.414 3.054 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)c1 ZINC000218189732 286344146 /nfs/dbraw/zinc/34/41/46/286344146.db2.gz LCQOKWZYZBZUCG-XGWLTEMNSA-N 1 0 293.407 3.312 20 70 CGIDRO CCCCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159767355 165467895 /nfs/dbraw/zinc/46/78/95/165467895.db2.gz HODKWEBKEJUXJY-XHSDSOJGSA-N 1 0 293.455 3.445 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+]CC2(CO)CCCC2)C12CCCCC2 ZINC000160100891 165474327 /nfs/dbraw/zinc/47/43/27/165474327.db2.gz RFFKCYZCHQYASM-HOTGVXAUSA-N 1 0 295.467 3.257 20 70 CGIDRO C[C@H]([NH3+])C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000160981916 289763401 /nfs/dbraw/zinc/76/34/01/289763401.db2.gz PPAXEHUQKMYAGL-FZMZJTMJSA-N 1 0 280.799 3.131 20 70 CGIDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217678582 270085255 /nfs/dbraw/zinc/08/52/55/270085255.db2.gz HXKKLKHUIQDGGZ-NJAFHUGGSA-N 1 0 272.436 3.224 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000218778170 270085402 /nfs/dbraw/zinc/08/54/02/270085402.db2.gz URMSHROIIAAAJR-NUEKZKHPSA-N 1 0 279.424 3.067 20 70 CGIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000217909154 270085417 /nfs/dbraw/zinc/08/54/17/270085417.db2.gz GGJFKOKBPDAWLA-VBNZEHGJSA-N 1 0 265.372 3.304 20 70 CGIDRO Cc1cc(C)c(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000218126899 270085468 /nfs/dbraw/zinc/08/54/68/270085468.db2.gz ODXKAJDQIRXZHV-MSOLQXFVSA-N 1 0 272.436 3.328 20 70 CGIDRO CN1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000161475138 277031559 /nfs/dbraw/zinc/03/15/59/277031559.db2.gz GPCWERTZWQGLLW-HNNXBMFYSA-N 1 0 292.398 3.112 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000159432477 321834916 /nfs/dbraw/zinc/83/49/16/321834916.db2.gz DJGCZHSQJJKVPK-GUYCJALGSA-N 1 0 293.407 3.253 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1cccnc1 ZINC000159869684 321842347 /nfs/dbraw/zinc/84/23/47/321842347.db2.gz HPLJIANFRVANDR-UONOGXRCSA-N 1 0 293.374 3.074 20 70 CGIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000159979164 321844495 /nfs/dbraw/zinc/84/44/95/321844495.db2.gz ZGMOIJMEJLUROC-HNNXBMFYSA-N 1 0 276.424 3.116 20 70 CGIDRO C[C@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000160916722 321859947 /nfs/dbraw/zinc/85/99/47/321859947.db2.gz FIOHJXPGPGGIQJ-GJZGRUSLSA-N 1 0 295.471 3.081 20 70 CGIDRO OCC1(C[NH2+]Cc2cccc3ccccc32)CCCC1 ZINC000160092809 534346619 /nfs/dbraw/zinc/34/66/19/534346619.db2.gz GSHUECCUDGEEJV-UHFFFAOYSA-N 1 0 269.388 3.482 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000161117187 522220775 /nfs/dbraw/zinc/22/07/75/522220775.db2.gz LFIYNVCVWHBCRE-KGLIPLIRSA-N 1 0 288.435 3.493 20 70 CGIDRO CC[C@@H](COC)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161040038 522594776 /nfs/dbraw/zinc/59/47/76/522594776.db2.gz BAZSQRFZQCCWPT-WMLDXEAASA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000218135254 346292964 /nfs/dbraw/zinc/29/29/64/346292964.db2.gz BMJNUCDHDYHWKO-KGLIPLIRSA-N 1 0 271.408 3.489 20 70 CGIDRO Clc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159540757 188430817 /nfs/dbraw/zinc/43/08/17/188430817.db2.gz DCBCARBPKXHMRL-WXHSDQCUSA-N 1 0 283.824 3.449 20 70 CGIDRO CCOC(CC[NH2+][C@H](C)CCc1ccccc1)OCC ZINC000159541154 188431035 /nfs/dbraw/zinc/43/10/35/188431035.db2.gz MTHZKTHAYZSEML-OAHLLOKOSA-N 1 0 279.424 3.387 20 70 CGIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)C1CCCC1 ZINC000160099831 188455579 /nfs/dbraw/zinc/45/55/79/188455579.db2.gz VZTIHESBASRMNR-BXUZGUMPSA-N 1 0 253.411 3.124 20 70 CGIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000160479371 188475396 /nfs/dbraw/zinc/47/53/96/188475396.db2.gz CZGAEOFOKMGWSO-UONOGXRCSA-N 1 0 277.433 3.326 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000161102396 188508108 /nfs/dbraw/zinc/50/81/08/188508108.db2.gz BDUJJUASKILFTO-STQMWFEESA-N 1 0 262.397 3.103 20 70 CGIDRO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000218760772 376190131 /nfs/dbraw/zinc/19/01/31/376190131.db2.gz LESVBULOCRFKJC-IBGZPJMESA-N 1 0 299.389 3.394 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCNC(=O)CC1CCCC1 ZINC000159404320 372139062 /nfs/dbraw/zinc/13/90/62/372139062.db2.gz BSYZHDZLGUEEJR-OAHLLOKOSA-N 1 0 288.435 3.342 20 70 CGIDRO Fc1ccc(C[NH2+]Cc2cccc3c2NCC3)c(F)c1 ZINC000159404052 372139671 /nfs/dbraw/zinc/13/96/71/372139671.db2.gz HGVMLUYQAZBDRA-UHFFFAOYSA-N 1 0 274.314 3.223 20 70 CGIDRO C(=C/c1ccccc1)\C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159480868 372147484 /nfs/dbraw/zinc/14/74/84/372147484.db2.gz MLQNMOQZDIYCDP-TYNQKIBBSA-N 1 0 269.388 3.247 20 70 CGIDRO CCOc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159493686 372149590 /nfs/dbraw/zinc/14/95/90/372149590.db2.gz JSKLNQKMMYOZLF-ULQDDVLXSA-N 1 0 287.403 3.133 20 70 CGIDRO CCOC(CC[NH2+][C@@H](C)Cc1ccc(F)cc1)OCC ZINC000159545433 372154460 /nfs/dbraw/zinc/15/44/60/372154460.db2.gz JCFTWKZKTPAPRX-ZDUSSCGKSA-N 1 0 283.387 3.136 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCSC1)CC2 ZINC000159567340 372156228 /nfs/dbraw/zinc/15/62/28/372156228.db2.gz OWCZFDXOQTVKDJ-GJZGRUSLSA-N 1 0 277.433 3.038 20 70 CGIDRO CC(C)[C@H](C)[NH2+]C[C@@H](C)N1CCc2ccccc2C1 ZINC000159801059 372181392 /nfs/dbraw/zinc/18/13/92/372181392.db2.gz AIEPUUANOAXRBC-CABCVRRESA-N 1 0 260.425 3.067 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000159640881 372164526 /nfs/dbraw/zinc/16/45/26/372164526.db2.gz ICGRTQACGUZEDM-SWLSCSKDSA-N 1 0 283.799 3.124 20 70 CGIDRO C[C@H]([NH2+]CCSc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000160052475 372207264 /nfs/dbraw/zinc/20/72/64/372207264.db2.gz DACSURIMADVIPA-NWDGAFQWSA-N 1 0 285.840 3.447 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cncs2)cn1 ZINC000160054540 372208408 /nfs/dbraw/zinc/20/84/08/372208408.db2.gz JMCPDTFFBKQSOU-LLVKDONJSA-N 1 0 277.393 3.176 20 70 CGIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000160110089 372215040 /nfs/dbraw/zinc/21/50/40/372215040.db2.gz PYSKPZJXSUEWBK-AEGPPILISA-N 1 0 262.397 3.326 20 70 CGIDRO Cc1cccc([C@H](C)[NH2+]Cc2cc(C(N)=O)cs2)c1 ZINC000160202323 372224176 /nfs/dbraw/zinc/22/41/76/372224176.db2.gz KAPSTUAYAPQFCS-NSHDSACASA-N 1 0 274.389 3.006 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000160232122 372227355 /nfs/dbraw/zinc/22/73/55/372227355.db2.gz LFEDNCRQJYJLLN-OCCSQVGLSA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@@H]1SCC[N@H+](CCn2ccnc2)[C@H]1c1ccccc1 ZINC000159834584 372185175 /nfs/dbraw/zinc/18/51/75/372185175.db2.gz YXFMJZNZDCUPCO-GOEBONIOSA-N 1 0 287.432 3.062 20 70 CGIDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159841965 372187502 /nfs/dbraw/zinc/18/75/02/372187502.db2.gz LHCVIWDVQPDUCX-MNOVXSKESA-N 1 0 282.457 3.120 20 70 CGIDRO COCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159857135 372187641 /nfs/dbraw/zinc/18/76/41/372187641.db2.gz VFTZVMOIFGYKEK-UHFFFAOYSA-N 1 0 285.387 3.474 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc(-n2ccnn2)cc1 ZINC000159908728 372193255 /nfs/dbraw/zinc/19/32/55/372193255.db2.gz GZSCWVVCGPBCPX-KGLIPLIRSA-N 1 0 293.374 3.074 20 70 CGIDRO C[C@H]1CC[C@H](C)[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159924926 372194475 /nfs/dbraw/zinc/19/44/75/372194475.db2.gz ZQGRWDCQBJRXKG-GJZGRUSLSA-N 1 0 294.483 3.392 20 70 CGIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000160360801 372240978 /nfs/dbraw/zinc/24/09/78/372240978.db2.gz TVOPIPWXJYMMAR-BFHYXJOUSA-N 1 0 268.445 3.094 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]C2CC(c3ccccc3)C2)CCO1 ZINC000159972067 372199373 /nfs/dbraw/zinc/19/93/73/372199373.db2.gz NFYXNYUAAQLJJU-PCKAHOCUSA-N 1 0 259.393 3.480 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@H](COC)C2CC2)cc1OC ZINC000159979041 372200569 /nfs/dbraw/zinc/20/05/69/372200569.db2.gz CFSKSFKGYVVIQV-SWLSCSKDSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160014361 372205479 /nfs/dbraw/zinc/20/54/79/372205479.db2.gz JHEIASYAXTUVBF-BLLLJJGKSA-N 1 0 293.407 3.316 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccc(SC(C)C)cc1 ZINC000160966216 372291095 /nfs/dbraw/zinc/29/10/95/372291095.db2.gz OGPJIWBEKNMGJU-CYBMUJFWSA-N 1 0 294.464 3.362 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000160983432 372292284 /nfs/dbraw/zinc/29/22/84/372292284.db2.gz ZRSNSTHBPLQPNC-HUUCEWRRSA-N 1 0 269.392 3.265 20 70 CGIDRO C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000160980234 372293118 /nfs/dbraw/zinc/29/31/18/372293118.db2.gz WFKYAOFPZVPQEM-GDBMZVCRSA-N 1 0 288.435 3.304 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C(C)C)c1 ZINC000161067022 372298125 /nfs/dbraw/zinc/29/81/25/372298125.db2.gz NFFNWOZCWADXCV-KGLIPLIRSA-N 1 0 276.424 3.349 20 70 CGIDRO CCCCOc1cccc(NC(=O)[C@H](CC)[NH+](C)C)c1 ZINC000161067502 372298910 /nfs/dbraw/zinc/29/89/10/372298910.db2.gz JZWOGLKDBOQQRX-HNNXBMFYSA-N 1 0 278.396 3.144 20 70 CGIDRO COCC[N@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC000160444000 372247915 /nfs/dbraw/zinc/24/79/15/372247915.db2.gz MNOJVNWYWUFHRY-UHFFFAOYSA-N 1 0 295.386 3.212 20 70 CGIDRO COCc1ccc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000160516734 372254129 /nfs/dbraw/zinc/25/41/29/372254129.db2.gz YJGFBXAOYZVZSK-UHFFFAOYSA-N 1 0 259.349 3.366 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CCCc1cc(C)sc1C ZINC000160560953 372257731 /nfs/dbraw/zinc/25/77/31/372257731.db2.gz PLQMJVQIBNRBQY-UHFFFAOYSA-N 1 0 296.480 3.321 20 70 CGIDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160575855 372259326 /nfs/dbraw/zinc/25/93/26/372259326.db2.gz IZMUYBZAOBSQJD-SKDRFNHKSA-N 1 0 269.186 3.122 20 70 CGIDRO Cc1cc2cc([C@@H](C)[NH2+]CC(C)(C)O)oc2cc1C ZINC000160599289 372261215 /nfs/dbraw/zinc/26/12/15/372261215.db2.gz GWSIENCUJZDHBU-GFCCVEGCSA-N 1 0 261.365 3.471 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)sc1Cl ZINC000160614561 372262823 /nfs/dbraw/zinc/26/28/23/372262823.db2.gz KLKNERVOQUIMQT-LURJTMIESA-N 1 0 268.209 3.476 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)sc1Cl ZINC000160614695 372263289 /nfs/dbraw/zinc/26/32/89/372263289.db2.gz KLKNERVOQUIMQT-ZCFIWIBFSA-N 1 0 268.209 3.476 20 70 CGIDRO C[C@H](c1ccco1)N(C)Cc1nnc(-c2ccccc2)n1C ZINC000160869012 372283817 /nfs/dbraw/zinc/28/38/17/372283817.db2.gz BTDLQJLZODMBMY-CYBMUJFWSA-N 1 0 296.374 3.268 20 70 CGIDRO CCC[N@H+](CCO)Cc1cc(Cl)cc(Cl)c1OC ZINC000161219109 372311308 /nfs/dbraw/zinc/31/13/08/372311308.db2.gz VKNACOKVXWPWQI-UHFFFAOYSA-N 1 0 292.206 3.206 20 70 CGIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@@H](C)C[NH2+]C ZINC000161247430 372313008 /nfs/dbraw/zinc/31/30/08/372313008.db2.gz FHXLJQVYNDMKQC-DOTOQJQBSA-N 1 0 290.451 3.020 20 70 CGIDRO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000161282103 372314997 /nfs/dbraw/zinc/31/49/97/372314997.db2.gz PNKOHYHPXMUWMQ-MRXNPFEDSA-N 1 0 286.375 3.086 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1(CC)CC ZINC000161319950 372316030 /nfs/dbraw/zinc/31/60/30/372316030.db2.gz FEPRIGWIABDATH-NUEKZKHPSA-N 1 0 283.456 3.375 20 70 CGIDRO CCc1nn(C)c(CC)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000161328782 372318691 /nfs/dbraw/zinc/31/86/91/372318691.db2.gz ADKYKVQHSHCMHV-UHFFFAOYSA-N 1 0 296.418 3.316 20 70 CGIDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000161428984 372323474 /nfs/dbraw/zinc/32/34/74/372323474.db2.gz QYGBAEWPPQIIHA-ZFWWWQNUSA-N 1 0 278.444 3.397 20 70 CGIDRO C[C@H](CSC(C)(C)C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161491013 372329472 /nfs/dbraw/zinc/32/94/72/372329472.db2.gz FXHQZZHRPUIBPW-UKRRQHHQSA-N 1 0 281.465 3.272 20 70 CGIDRO CC(C)CC[C@@H]([NH2+]CCO)c1ccc(Cl)cc1 ZINC000159698653 321838931 /nfs/dbraw/zinc/83/89/31/321838931.db2.gz BTOKDCCWPKOUMR-CQSZACIVSA-N 1 0 255.789 3.399 20 70 CGIDRO Clc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc(C2CC2)n1 ZINC000217455682 376174251 /nfs/dbraw/zinc/17/42/51/376174251.db2.gz FPQMQVIUYGKRGX-NEPJUHHUSA-N 1 0 292.814 3.046 20 70 CGIDRO C[N@@H+]1CCC[C@@H](CN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569855 376178077 /nfs/dbraw/zinc/17/80/77/376178077.db2.gz ZMMUNDYXXKULLU-MAUKXSAKSA-N 1 0 284.403 3.300 20 70 CGIDRO C[C@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccn1 ZINC000218063780 376183356 /nfs/dbraw/zinc/18/33/56/376183356.db2.gz QAWZNFMUGAHRPV-LBPRGKRZSA-N 1 0 251.333 3.414 20 70 CGIDRO COc1cc(C)ccc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218130286 376185089 /nfs/dbraw/zinc/18/50/89/376185089.db2.gz JUXKBJODIHYYCZ-XIRDDKMYSA-N 1 0 288.435 3.281 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H]1CCCc2occc21 ZINC000159991418 542152137 /nfs/dbraw/zinc/15/21/37/542152137.db2.gz BUWLAJVVIINWNJ-AWEZNQCLSA-N 1 0 259.353 3.053 20 70 CGIDRO CCn1c2ccccc2nc1C[NH2+][C@@H](C)C1CCC1 ZINC000160173680 542152442 /nfs/dbraw/zinc/15/24/42/542152442.db2.gz MBSLSMISZPAQKP-LBPRGKRZSA-N 1 0 257.381 3.334 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000218775285 270085498 /nfs/dbraw/zinc/08/54/98/270085498.db2.gz OHMRFHGWGATGCT-YNEHKIRRSA-N 1 0 285.815 3.104 20 70 CGIDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(C)cc1 ZINC000159479546 288039737 /nfs/dbraw/zinc/03/97/37/288039737.db2.gz GAWYPWKHLLAQOY-INIZCTEOSA-N 1 0 274.408 3.048 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000159432821 321834695 /nfs/dbraw/zinc/83/46/95/321834695.db2.gz DJGCZHSQJJKVPK-CXAGYDPISA-N 1 0 293.407 3.253 20 70 CGIDRO CC[C@H]([NH2+]Cc1ccc(OC(C)C)nc1)C(C)C ZINC000160082554 321846209 /nfs/dbraw/zinc/84/62/09/321846209.db2.gz INSPMDUPHPQQKD-AWEZNQCLSA-N 1 0 250.386 3.393 20 70 CGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc2c(s1)CCC2 ZINC000160556146 321853743 /nfs/dbraw/zinc/85/37/43/321853743.db2.gz ZEKYLBDJEWMXRU-YUTCNCBUSA-N 1 0 279.449 3.439 20 70 CGIDRO CC(C)S(=O)(=O)CCC[NH2+]C(C)(C)CC(C)(C)C ZINC000160899994 321859361 /nfs/dbraw/zinc/85/93/61/321859361.db2.gz FBHNJEBFLMYZQT-UHFFFAOYSA-N 1 0 277.474 3.004 20 70 CGIDRO CC[C@@H](C)[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161124524 321862660 /nfs/dbraw/zinc/86/26/60/321862660.db2.gz QMFLNIHMWWORPC-OLZOCXBDSA-N 1 0 282.378 3.317 20 70 CGIDRO O[C@@H](C1CC[NH+](CCC2CCCC2)CC1)C(F)(F)F ZINC000161321461 321865697 /nfs/dbraw/zinc/86/56/97/321865697.db2.gz PGOGXUBBFKUTHY-ZDUSSCGKSA-N 1 0 279.346 3.202 20 70 CGIDRO CC(C)C[C@H]1CCCCCN1C(=O)CC[NH2+]C(C)C ZINC000161298233 321865966 /nfs/dbraw/zinc/86/59/66/321865966.db2.gz DRDOUUOEMPCQBZ-OAHLLOKOSA-N 1 0 268.445 3.192 20 70 CGIDRO CCCCOc1ccc(CC[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000161388090 321866394 /nfs/dbraw/zinc/86/63/94/321866394.db2.gz QBFHLDJGZGCMIJ-NVXWUHKLSA-N 1 0 291.435 3.423 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@H]([NH3+])CC(C)C)c1 ZINC000160421586 521718513 /nfs/dbraw/zinc/71/85/13/521718513.db2.gz DNUQDJVPLUCLFQ-CQSZACIVSA-N 1 0 280.437 3.252 20 70 CGIDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879810 521732684 /nfs/dbraw/zinc/73/26/84/521732684.db2.gz WHRSHVDZHDFYOC-HIFRSBDPSA-N 1 0 289.448 3.440 20 70 CGIDRO CC[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160960697 522635736 /nfs/dbraw/zinc/63/57/36/522635736.db2.gz KMHLZFFNXUXKSW-PBHICJAKSA-N 1 0 269.392 3.191 20 70 CGIDRO C[N@H+](CCC1CC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160928646 522705708 /nfs/dbraw/zinc/70/57/08/522705708.db2.gz BNINTDZPOGRKRL-UHFFFAOYSA-N 1 0 280.456 3.003 20 70 CGIDRO COc1ccc([C@@H]2CC[N@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000160896729 525255980 /nfs/dbraw/zinc/25/59/80/525255980.db2.gz NDWPMAZYECRMGJ-MRXNPFEDSA-N 1 0 299.418 3.462 20 70 CGIDRO COc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC000161016250 525331418 /nfs/dbraw/zinc/33/14/18/525331418.db2.gz YQRBXJWLMRNFDO-MJBXVCDLSA-N 1 0 294.414 3.358 20 70 CGIDRO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000161441494 526676701 /nfs/dbraw/zinc/67/67/01/526676701.db2.gz WFIMRLDEBCNMQR-LLVKDONJSA-N 1 0 281.469 3.320 20 70 CGIDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCc3ccccc3C2)O1 ZINC000160270686 529043819 /nfs/dbraw/zinc/04/38/19/529043819.db2.gz ACNDCFSSOGHNIU-JKSUJKDBSA-N 1 0 259.393 3.091 20 70 CGIDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000217665708 572869223 /nfs/dbraw/zinc/86/92/23/572869223.db2.gz LMPHKVODNGAGTR-CQSZACIVSA-N 1 0 286.419 3.378 20 70 CGIDRO CCSCC[C@H](C)[NH2+]Cc1cnc2ccccc2n1 ZINC000160069176 346169972 /nfs/dbraw/zinc/16/99/72/346169972.db2.gz VXTFPKIYBOIUSH-LBPRGKRZSA-N 1 0 275.421 3.251 20 70 CGIDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000217937311 346291672 /nfs/dbraw/zinc/29/16/72/346291672.db2.gz VVELMJUFCUENGZ-PBHICJAKSA-N 1 0 286.419 3.271 20 70 CGIDRO c1cnc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2c1 ZINC000159478024 188427586 /nfs/dbraw/zinc/42/75/86/188427586.db2.gz YAPOJXIEQDOQEW-JQHSSLGASA-N 1 0 294.398 3.282 20 70 CGIDRO CCCC[C@@H](NC(=O)c1ccc(C[NH3+])cc1)C1CCC1 ZINC000160780298 188490532 /nfs/dbraw/zinc/49/05/32/188490532.db2.gz WQZMECHSXKMQQQ-MRXNPFEDSA-N 1 0 274.408 3.234 20 70 CGIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccco2)c1 ZINC000161426396 188527103 /nfs/dbraw/zinc/52/71/03/188527103.db2.gz XZZKJKKQGFVCJR-LBPRGKRZSA-N 1 0 275.348 3.190 20 70 CGIDRO C[C@H]1SCC[N@H+](CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834724 291260367 /nfs/dbraw/zinc/26/03/67/291260367.db2.gz YXFMJZNZDCUPCO-ZBFHGGJFSA-N 1 0 287.432 3.062 20 70 CGIDRO CC(C)[N@H+](CCC(=O)OC(C)(C)C)CCc1nccs1 ZINC000159777172 372180317 /nfs/dbraw/zinc/18/03/17/372180317.db2.gz QOJXYBUQLCRZHY-UHFFFAOYSA-N 1 0 298.452 3.128 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000159423025 372143073 /nfs/dbraw/zinc/14/30/73/372143073.db2.gz FKSQFPXMXDZJFE-CQSZACIVSA-N 1 0 257.381 3.012 20 70 CGIDRO CN(C(=O)CC1CCCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000159421909 372143170 /nfs/dbraw/zinc/14/31/70/372143170.db2.gz BGXMDUYGEOYWHH-XYPWUTKMSA-N 1 0 278.440 3.088 20 70 CGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000159532551 372152726 /nfs/dbraw/zinc/15/27/26/372152726.db2.gz OQIBSOMDFGUUGV-NSHDSACASA-N 1 0 298.789 3.142 20 70 CGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159555223 372155909 /nfs/dbraw/zinc/15/59/09/372155909.db2.gz XZZDYNYAHSJPIO-UKRRQHHQSA-N 1 0 295.448 3.258 20 70 CGIDRO Fc1ccc(F)c(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159606644 372160600 /nfs/dbraw/zinc/16/06/00/372160600.db2.gz HOAVZTVNKSFAQD-SNPRPXQTSA-N 1 0 279.330 3.012 20 70 CGIDRO Cc1ncc([C@@H](C)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(C)n1 ZINC000159608584 372161149 /nfs/dbraw/zinc/16/11/49/372161149.db2.gz FFGHFLCLEAAIQK-GFCCVEGCSA-N 1 0 290.455 3.053 20 70 CGIDRO c1coc(-c2noc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000159697448 372170621 /nfs/dbraw/zinc/17/06/21/372170621.db2.gz BYKLWIFSRKLICH-RYUDHWBXSA-N 1 0 273.336 3.094 20 70 CGIDRO CC(C)(C)OCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159721761 372172046 /nfs/dbraw/zinc/17/20/46/372172046.db2.gz DQPOOVBFROOGDF-QGZVFWFLSA-N 1 0 290.451 3.056 20 70 CGIDRO CCSCC[C@@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000160067737 372207870 /nfs/dbraw/zinc/20/78/70/372207870.db2.gz RLOJBCKPHOYDKG-LLVKDONJSA-N 1 0 299.436 3.031 20 70 CGIDRO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)s1 ZINC000160078845 372210334 /nfs/dbraw/zinc/21/03/34/372210334.db2.gz XIUQKYXLPWNBLB-OAHLLOKOSA-N 1 0 273.405 3.492 20 70 CGIDRO C[C@@H]([NH2+]CC1(CO)CCCC1)c1ccccc1OC(F)F ZINC000160083681 372210353 /nfs/dbraw/zinc/21/03/53/372210353.db2.gz ZCINWXLAWHQOTE-GFCCVEGCSA-N 1 0 299.361 3.491 20 70 CGIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)C1CCCC1 ZINC000160099701 372212235 /nfs/dbraw/zinc/21/22/35/372212235.db2.gz VZTIHESBASRMNR-SMDDNHRTSA-N 1 0 253.411 3.124 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000160310377 372237879 /nfs/dbraw/zinc/23/78/79/372237879.db2.gz WITLAQFFODSSDJ-DOMZBBRYSA-N 1 0 263.381 3.303 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000160323788 372237908 /nfs/dbraw/zinc/23/79/08/372237908.db2.gz WAJUSBUXIMPIAP-ZFWWWQNUSA-N 1 0 297.464 3.238 20 70 CGIDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(OC)cc2)c1C ZINC000159857747 372186429 /nfs/dbraw/zinc/18/64/29/372186429.db2.gz RDUDGIAFLODEGD-UHFFFAOYSA-N 1 0 287.407 3.160 20 70 CGIDRO c1cn(CC[N@H+](Cc2ccoc2)C2CCCCC2)cn1 ZINC000159849397 372186865 /nfs/dbraw/zinc/18/68/65/372186865.db2.gz YGKLMBGWFVRIJH-UHFFFAOYSA-N 1 0 273.380 3.311 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOC(C)(C)C)n1 ZINC000159842214 372187551 /nfs/dbraw/zinc/18/75/51/372187551.db2.gz IZPDSJBKULLAGD-OAHLLOKOSA-N 1 0 262.397 3.342 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)cc1OC ZINC000159946069 372196487 /nfs/dbraw/zinc/19/64/87/372196487.db2.gz CBCAGXTXMOBTMI-KCQAQPDRSA-N 1 0 293.407 3.170 20 70 CGIDRO Cc1c2ccc3ccccc3c2oc1C(=O)NCC(C)(C)[NH3+] ZINC000159980230 372200063 /nfs/dbraw/zinc/20/00/63/372200063.db2.gz CSWAWDRUZJODHN-UHFFFAOYSA-N 1 0 296.370 3.362 20 70 CGIDRO CCOc1ccccc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160442969 372248622 /nfs/dbraw/zinc/24/86/22/372248622.db2.gz CFVPTTRRYYTILW-AWEZNQCLSA-N 1 0 263.381 3.133 20 70 CGIDRO C[NH2+]CC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1 ZINC000160557621 372257887 /nfs/dbraw/zinc/25/78/87/372257887.db2.gz VDDVHBCSDDBUIK-ZDUSSCGKSA-N 1 0 282.815 3.153 20 70 CGIDRO C[C@@H](C1CC1)[N@H+](CCCN1CCCCC1)C1CC1 ZINC000160578303 372259857 /nfs/dbraw/zinc/25/98/57/372259857.db2.gz CAADLFTYEXUTND-AWEZNQCLSA-N 1 0 250.430 3.125 20 70 CGIDRO CCc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccccc2)C(C)C)n1 ZINC000160586304 372261105 /nfs/dbraw/zinc/26/11/05/372261105.db2.gz WCPJKCXBTFCFLI-QGZVFWFLSA-N 1 0 285.391 3.232 20 70 CGIDRO Fc1cc(Cl)ccc1C[NH2+]CCCCn1ccnc1 ZINC000160805551 372276951 /nfs/dbraw/zinc/27/69/51/372276951.db2.gz AVOSETNKPMLSAE-UHFFFAOYSA-N 1 0 281.762 3.246 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)c1cncs1)N(C)Cc1ccccc1 ZINC000160862319 372284002 /nfs/dbraw/zinc/28/40/02/372284002.db2.gz DRPAJBUKHALZNH-ZIAGYGMSSA-N 1 0 289.448 3.314 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)s1 ZINC000160920617 372288747 /nfs/dbraw/zinc/28/87/47/372288747.db2.gz BBOFMLSVXWXNCG-JTQLQIEISA-N 1 0 261.394 3.314 20 70 CGIDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161130933 372303998 /nfs/dbraw/zinc/30/39/98/372303998.db2.gz VKCUTKFNFXFQDW-QMMMGPOBSA-N 1 0 279.277 3.094 20 70 CGIDRO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000161244571 372313067 /nfs/dbraw/zinc/31/30/67/372313067.db2.gz YZGBCRNIEQUFAD-AWEZNQCLSA-N 1 0 299.418 3.440 20 70 CGIDRO OC[C@@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000161407431 372321246 /nfs/dbraw/zinc/32/12/46/372321246.db2.gz HHRMPVOPJCMQDK-CRAIPNDOSA-N 1 0 285.362 3.179 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000161415694 372322319 /nfs/dbraw/zinc/32/23/19/372322319.db2.gz TWWAXJLJVDUFDO-GDBMZVCRSA-N 1 0 274.408 3.105 20 70 CGIDRO CCC[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000161447425 372325543 /nfs/dbraw/zinc/32/55/43/372325543.db2.gz REJBWALWJCFWFB-HUUCEWRRSA-N 1 0 280.456 3.051 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455133 372325900 /nfs/dbraw/zinc/32/59/00/372325900.db2.gz XBKQJBSIWDNBIE-JSGCOSHPSA-N 1 0 291.341 3.392 20 70 CGIDRO CC(C)C[C@H]1CCCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000161474229 372328045 /nfs/dbraw/zinc/32/80/45/372328045.db2.gz YLIKYHWCXPLZIQ-MGNMYUMUSA-N 1 0 292.467 3.192 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc21 ZINC000159850495 542151910 /nfs/dbraw/zinc/15/19/10/542151910.db2.gz HTEJFUXCPALNKF-CABCVRRESA-N 1 0 285.391 3.117 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)C(C)C)cc1OC ZINC000159970374 165472538 /nfs/dbraw/zinc/47/25/38/165472538.db2.gz LKIGMUXSXJRFAQ-UKRRQHHQSA-N 1 0 295.423 3.416 20 70 CGIDRO Cc1ccccc1C1CC([NH2+][C@@H]2CCN3CCCC[C@@H]23)C1 ZINC000217693400 270085282 /nfs/dbraw/zinc/08/52/82/270085282.db2.gz OCXXZHFVXSMTEP-HWMSQKFYSA-N 1 0 284.447 3.457 20 70 CGIDRO COc1ccccc1CC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000218413790 270085533 /nfs/dbraw/zinc/08/55/33/270085533.db2.gz HMWQVHRUFAGTAR-UHFFFAOYSA-N 1 0 285.387 3.350 20 70 CGIDRO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000218731461 270085587 /nfs/dbraw/zinc/08/55/87/270085587.db2.gz MHBFZEZINYUMQO-YESZJQIVSA-N 1 0 295.373 3.480 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNCc1cccc2c1OC(C)(C)C2 ZINC000217798306 270085620 /nfs/dbraw/zinc/08/56/20/270085620.db2.gz FJBADPWZWCCXBK-AWEZNQCLSA-N 1 0 290.451 3.220 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccncc2)C12CCC2 ZINC000160969455 279880031 /nfs/dbraw/zinc/88/00/31/279880031.db2.gz PUKWAYDXSVUILL-VHDGCEQUSA-N 1 0 260.381 3.080 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+]CC2(N(C)C)CCCC2)C12CCCC2 ZINC000160675793 279933684 /nfs/dbraw/zinc/93/36/84/279933684.db2.gz HQVGSEHWRQUIER-HOTGVXAUSA-N 1 0 294.483 3.188 20 70 CGIDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCCSC1)CCC2 ZINC000159619554 321837357 /nfs/dbraw/zinc/83/73/57/321837357.db2.gz PYIPMHCGDRCGQQ-ZYHUDNBSSA-N 1 0 268.451 3.314 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1)c1ccncc1 ZINC000159908541 321842976 /nfs/dbraw/zinc/84/29/76/321842976.db2.gz GZSCWVVCGPBCPX-KBPBESRZSA-N 1 0 293.374 3.074 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000160561159 321853670 /nfs/dbraw/zinc/85/36/70/321853670.db2.gz UPRKJHUAHCKIIR-HNNXBMFYSA-N 1 0 288.366 3.421 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@@H]1CCOC1 ZINC000160993936 321861238 /nfs/dbraw/zinc/86/12/38/321861238.db2.gz URQMWVYICJHHHU-UXLLHSPISA-N 1 0 259.393 3.121 20 70 CGIDRO CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000159573403 533959432 /nfs/dbraw/zinc/95/94/32/533959432.db2.gz WGSAMKJZZSQODN-YJNKXOJESA-N 1 0 298.496 3.075 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(Cl)c1)c1ccco1 ZINC000160812341 522031872 /nfs/dbraw/zinc/03/18/72/522031872.db2.gz XVQHQPKFVPSBTB-AWEZNQCLSA-N 1 0 296.773 3.465 20 70 CGIDRO CC[C@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1 ZINC000160734874 522600390 /nfs/dbraw/zinc/60/03/90/522600390.db2.gz GBOBZOLVQIWSBN-KRWDZBQOSA-N 1 0 289.398 3.459 20 70 CGIDRO CC[C@@H]([NH2+]CCc1c(C)nn(C)c1C)c1ccc(F)cc1 ZINC000160735002 522843225 /nfs/dbraw/zinc/84/32/25/522843225.db2.gz GBOBZOLVQIWSBN-QGZVFWFLSA-N 1 0 289.398 3.459 20 70 CGIDRO CN(C(=O)CCCC1CCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161483824 523799513 /nfs/dbraw/zinc/79/95/13/523799513.db2.gz ZWPJVYQFNRWBPQ-XYPWUTKMSA-N 1 0 278.440 3.088 20 70 CGIDRO COc1ccc(COCCC[NH2+][C@H](C)C(C)C)cc1 ZINC000161070818 524114283 /nfs/dbraw/zinc/11/42/83/524114283.db2.gz DKLFGDOWGXLPSC-CQSZACIVSA-N 1 0 265.397 3.236 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159623404 524600817 /nfs/dbraw/zinc/60/08/17/524600817.db2.gz GQVJJKYAFWSDKV-MCIONIFRSA-N 1 0 263.406 3.104 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000160405989 525700008 /nfs/dbraw/zinc/70/00/08/525700008.db2.gz OXUFSHUUFPSHBI-CABCVRRESA-N 1 0 281.465 3.376 20 70 CGIDRO Cc1nccn1CCCC[N@@H+](C)Cc1ccoc1C ZINC000161475280 527391629 /nfs/dbraw/zinc/39/16/29/527391629.db2.gz RSQPYXDHCKPVJZ-UHFFFAOYSA-N 1 0 261.369 3.005 20 70 CGIDRO OC[C@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000160935740 527609422 /nfs/dbraw/zinc/60/94/22/527609422.db2.gz NSSSZNNBDOCDQE-HNNXBMFYSA-N 1 0 279.742 3.302 20 70 CGIDRO CC(C)(C)C[C@H](CO)Nc1cc[nH+]c2ccccc12 ZINC000161466635 527701121 /nfs/dbraw/zinc/70/11/21/527701121.db2.gz BIUGXSWWYHUZPV-GFCCVEGCSA-N 1 0 258.365 3.444 20 70 CGIDRO CCCCN(C(=O)[C@H]1CCC[NH2+]C1)[C@H](C)c1ccccc1 ZINC000161356413 528308602 /nfs/dbraw/zinc/30/86/02/528308602.db2.gz OBMJBXNLNYGPIX-WBVHZDCISA-N 1 0 288.435 3.376 20 70 CGIDRO CCOc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000160470456 528462619 /nfs/dbraw/zinc/46/26/19/528462619.db2.gz XPTIUVVVOZXVEU-CQSZACIVSA-N 1 0 293.407 3.141 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000160627002 528464882 /nfs/dbraw/zinc/46/48/82/528464882.db2.gz GJYFPTSORMNMME-CYBMUJFWSA-N 1 0 276.424 3.351 20 70 CGIDRO CC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000161350048 529158404 /nfs/dbraw/zinc/15/84/04/529158404.db2.gz YYHPPZRUWWVEFB-MRXNPFEDSA-N 1 0 287.382 3.332 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1OC ZINC000160136630 529343726 /nfs/dbraw/zinc/34/37/26/529343726.db2.gz CNUONRHGRRMYSV-KGLIPLIRSA-N 1 0 294.439 3.085 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000160493985 282119271 /nfs/dbraw/zinc/11/92/71/282119271.db2.gz RYFXMQOYVGYOPF-JDFRZJQESA-N 1 0 296.418 3.130 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000160423052 346170912 /nfs/dbraw/zinc/17/09/12/346170912.db2.gz DQFOQZKEYCYUIT-ZIAGYGMSSA-N 1 0 292.448 3.396 20 70 CGIDRO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(Cl)cc2F)C1 ZINC000160789342 346172126 /nfs/dbraw/zinc/17/21/26/346172126.db2.gz HMPWKSGEPQQEEE-LBPRGKRZSA-N 1 0 284.806 3.299 20 70 CGIDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000160931725 346173687 /nfs/dbraw/zinc/17/36/87/346173687.db2.gz GJDTVMSJFDOIQE-JKSUJKDBSA-N 1 0 281.371 3.062 20 70 CGIDRO C[C@@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccccc1F ZINC000159765562 188440236 /nfs/dbraw/zinc/44/02/36/188440236.db2.gz WIBBLDUSXQMRSU-ZDUSSCGKSA-N 1 0 292.398 3.097 20 70 CGIDRO Cc1nn(C)cc1C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000159851305 188444636 /nfs/dbraw/zinc/44/46/36/188444636.db2.gz WDUXNOMYMGJTHU-QGZVFWFLSA-N 1 0 271.408 3.258 20 70 CGIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC2(C1)CCCCC2 ZINC000161197382 188514402 /nfs/dbraw/zinc/51/44/02/188514402.db2.gz GHFMKULLPVKVEA-MQVJKMGUSA-N 1 0 290.451 3.090 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000161414540 188526450 /nfs/dbraw/zinc/52/64/50/188526450.db2.gz HZSPUWKXQZLRID-HOCLYGCPSA-N 1 0 295.448 3.019 20 70 CGIDRO COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccccn2)C1 ZINC000159362612 372135300 /nfs/dbraw/zinc/13/53/00/372135300.db2.gz HQQRKJRDNSEWID-CABCVRRESA-N 1 0 297.402 3.020 20 70 CGIDRO Cc1nc(CC[NH2+][C@H](C)c2ccccn2)sc1C ZINC000159388027 372138243 /nfs/dbraw/zinc/13/82/43/372138243.db2.gz CCIAKGXZFZUJJO-LLVKDONJSA-N 1 0 261.394 3.048 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000159403977 372139514 /nfs/dbraw/zinc/13/95/14/372139514.db2.gz ICDDDQNFMNVTDQ-RWMBFGLXSA-N 1 0 265.426 3.192 20 70 CGIDRO CCOCCC[N@H+](Cc1ccccc1OC)C1CC1 ZINC000159409242 372141436 /nfs/dbraw/zinc/14/14/36/372141436.db2.gz WROMULDKMKATDU-UHFFFAOYSA-N 1 0 263.381 3.086 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000159423386 372142847 /nfs/dbraw/zinc/14/28/47/372142847.db2.gz NFABLRGULXMWNQ-XJKSGUPXSA-N 1 0 271.445 3.109 20 70 CGIDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCOc3ccccc32)CCO1 ZINC000159776661 372180410 /nfs/dbraw/zinc/18/04/10/372180410.db2.gz BCXIPPBHZDONRE-ZIAGYGMSSA-N 1 0 275.392 3.100 20 70 CGIDRO O=C1C[C@@H](c2ccccc2)[N@H+](CCC2CCCC2)CCN1 ZINC000159483423 372147238 /nfs/dbraw/zinc/14/72/38/372147238.db2.gz XUYHCQIMZKGUHM-KRWDZBQOSA-N 1 0 286.419 3.130 20 70 CGIDRO C[C@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1O ZINC000159470094 372147847 /nfs/dbraw/zinc/14/78/47/372147847.db2.gz TUHUCALVAAKYBR-GUYCJALGSA-N 1 0 255.361 3.043 20 70 CGIDRO c1c2ccccc2oc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159491353 372149540 /nfs/dbraw/zinc/14/95/40/372149540.db2.gz CXRWXOHYHUXGQJ-OIISXLGYSA-N 1 0 283.371 3.480 20 70 CGIDRO Cc1c[nH+]ccc1N[C@@H]1CCCc2cc(N)ccc21 ZINC000159502553 372150408 /nfs/dbraw/zinc/15/04/08/372150408.db2.gz PCXCGMZGDHHINO-MRXNPFEDSA-N 1 0 253.349 3.462 20 70 CGIDRO CCCc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159512330 372150878 /nfs/dbraw/zinc/15/08/78/372150878.db2.gz ZAPNBGIURDBQQQ-HNNXBMFYSA-N 1 0 288.435 3.302 20 70 CGIDRO Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159527212 372152614 /nfs/dbraw/zinc/15/26/14/372152614.db2.gz NXCQMLNLKVSQCY-STQMWFEESA-N 1 0 294.826 3.043 20 70 CGIDRO CCC[C@H]([NH2+]CCCN1CCCC1=O)C1CCCCC1 ZINC000159535133 372153634 /nfs/dbraw/zinc/15/36/34/372153634.db2.gz FSDIIVIOZSEHJA-INIZCTEOSA-N 1 0 280.456 3.338 20 70 CGIDRO Cc1ccsc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159580787 372156934 /nfs/dbraw/zinc/15/69/34/372156934.db2.gz XTAPOQGAOIEESW-UBHSHLNASA-N 1 0 263.406 3.104 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)c1cccs1 ZINC000159593013 372159069 /nfs/dbraw/zinc/15/90/69/372159069.db2.gz KPNUYFINRUUDRK-AWEZNQCLSA-N 1 0 296.386 3.419 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000159791430 372181613 /nfs/dbraw/zinc/18/16/13/372181613.db2.gz KCTAHZVAXFHAQA-INIZCTEOSA-N 1 0 253.349 3.122 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000159670710 372166439 /nfs/dbraw/zinc/16/64/39/372166439.db2.gz TXQCYTICPFSNTI-UHFFFAOYSA-N 1 0 276.428 3.153 20 70 CGIDRO [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000159719032 372172350 /nfs/dbraw/zinc/17/23/50/372172350.db2.gz VSWMBTYMIZHLRI-ZWKOTPCHSA-N 1 0 294.398 3.211 20 70 CGIDRO CCCCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C2CCOCC2)C1(C)C ZINC000159807572 372182825 /nfs/dbraw/zinc/18/28/25/372182825.db2.gz JNNRRCRXVFXYGT-NUEKZKHPSA-N 1 0 283.456 3.375 20 70 CGIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccccc1OC(F)F ZINC000160083582 372210590 /nfs/dbraw/zinc/21/05/90/372210590.db2.gz ZCINWXLAWHQOTE-LBPRGKRZSA-N 1 0 299.361 3.491 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(CO)CCCC2)C12CCCCC2 ZINC000160101025 372212593 /nfs/dbraw/zinc/21/25/93/372212593.db2.gz RFFKCYZCHQYASM-HZPDHXFCSA-N 1 0 295.467 3.257 20 70 CGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](CC)C2CC2)cc1 ZINC000160117592 372214265 /nfs/dbraw/zinc/21/42/65/372214265.db2.gz NLBDISMVZFUHGL-KRWDZBQOSA-N 1 0 288.435 3.495 20 70 CGIDRO Cc1c2ccc3ccccc3c2oc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160222669 372226319 /nfs/dbraw/zinc/22/63/19/372226319.db2.gz GMVASHYEONGZHK-CYBMUJFWSA-N 1 0 294.354 3.068 20 70 CGIDRO C[N@H+](Cc1nc2cc(Br)ccc2[nH]1)C1CCC1 ZINC000159826522 372184056 /nfs/dbraw/zinc/18/40/56/372184056.db2.gz ISRNNYIDDILTGP-UHFFFAOYSA-N 1 0 294.196 3.310 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cnc3cc(C)ccn23)cc1 ZINC000159858058 372186276 /nfs/dbraw/zinc/18/62/76/372186276.db2.gz NCOOFGMPXVIMSX-UHFFFAOYSA-N 1 0 295.386 3.283 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000159851175 372187397 /nfs/dbraw/zinc/18/73/97/372187397.db2.gz OAPZORJLKJHYKP-OAHLLOKOSA-N 1 0 288.435 3.303 20 70 CGIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCCNC(=O)C(C)C)c1 ZINC000159979046 372199694 /nfs/dbraw/zinc/19/96/94/372199694.db2.gz ZGMOIJMEJLUROC-OAHLLOKOSA-N 1 0 276.424 3.116 20 70 CGIDRO CC[C@@H](COC)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161040242 372296815 /nfs/dbraw/zinc/29/68/15/372296815.db2.gz BAZSQRFZQCCWPT-YOEHRIQHSA-N 1 0 293.407 3.170 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 ZINC000161059142 372298831 /nfs/dbraw/zinc/29/88/31/372298831.db2.gz IBURZCOXEAFLCW-HNNXBMFYSA-N 1 0 288.435 3.028 20 70 CGIDRO CC(C)C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466289 372249583 /nfs/dbraw/zinc/24/95/83/372249583.db2.gz TZHUGHWLKYBVSG-XIRDDKMYSA-N 1 0 276.424 3.310 20 70 CGIDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2C)n1 ZINC000160518726 372254206 /nfs/dbraw/zinc/25/42/06/372254206.db2.gz KTXWUOKKQCGBMI-UHFFFAOYSA-N 1 0 256.349 3.036 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2csc(C3CC3)n2)CCO1 ZINC000160543415 372255556 /nfs/dbraw/zinc/25/55/56/372255556.db2.gz NFCSGYDVVYAUAQ-NSHDSACASA-N 1 0 266.410 3.068 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000160527126 372256364 /nfs/dbraw/zinc/25/63/64/372256364.db2.gz NVLLLRQATRQASO-OLZOCXBDSA-N 1 0 287.407 3.352 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000160661012 372266746 /nfs/dbraw/zinc/26/67/46/372266746.db2.gz IFEFSYCIZQCZMC-ZOBUZTSGSA-N 1 0 288.435 3.374 20 70 CGIDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160811060 372276752 /nfs/dbraw/zinc/27/67/52/372276752.db2.gz YDFSEGBCYOMVJE-HNNXBMFYSA-N 1 0 294.483 3.393 20 70 CGIDRO CCn1cc([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)cn1 ZINC000160813104 372277555 /nfs/dbraw/zinc/27/75/55/372277555.db2.gz JMHOHANQQXIYOV-WMLDXEAASA-N 1 0 287.407 3.067 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(CSC)cc1 ZINC000161209527 372309598 /nfs/dbraw/zinc/30/95/98/372309598.db2.gz JJPUBHXDKZAYMS-UHFFFAOYSA-N 1 0 280.437 3.253 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000161268918 372314161 /nfs/dbraw/zinc/31/41/61/372314161.db2.gz FWMDAZDAAJMDJR-PBHICJAKSA-N 1 0 288.435 3.217 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000161269170 372314774 /nfs/dbraw/zinc/31/47/74/372314774.db2.gz FWMDAZDAAJMDJR-RHSMWYFYSA-N 1 0 288.435 3.217 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1(CC)CC ZINC000161301046 372315951 /nfs/dbraw/zinc/31/59/51/372315951.db2.gz OYONRWVISDMMML-AEGPPILISA-N 1 0 277.412 3.111 20 70 CGIDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000161428898 372324317 /nfs/dbraw/zinc/32/43/17/372324317.db2.gz QYGBAEWPPQIIHA-HIFRSBDPSA-N 1 0 278.444 3.397 20 70 CGIDRO CC[C@H]([NH2+]CCn1ccnc1)c1cccc(Cl)c1F ZINC000161495805 372329033 /nfs/dbraw/zinc/32/90/33/372329033.db2.gz UQHUZGACLDEPLE-ZDUSSCGKSA-N 1 0 281.762 3.417 20 70 CGIDRO Cc1cccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1F ZINC000161482496 372329609 /nfs/dbraw/zinc/32/96/09/372329609.db2.gz FECZXVYJIZLKTI-UHFFFAOYSA-N 1 0 292.398 3.127 20 70 CGIDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000216933228 376170463 /nfs/dbraw/zinc/17/04/63/376170463.db2.gz FSBVGTICQUBAQH-TZMCWYRMSA-N 1 0 261.365 3.443 20 70 CGIDRO Cc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217639833 376176698 /nfs/dbraw/zinc/17/66/98/376176698.db2.gz BIRAQLCPVXAGPZ-SJORKVTESA-N 1 0 258.409 3.020 20 70 CGIDRO Cc1nc(CC[NH2+]Cc2cccc3cc[nH]c32)cs1 ZINC000218098126 376185011 /nfs/dbraw/zinc/18/50/11/376185011.db2.gz WPSJWIVGLMHQHM-UHFFFAOYSA-N 1 0 271.389 3.265 20 70 CGIDRO Cc1noc(C)c1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218138113 376185289 /nfs/dbraw/zinc/18/52/89/376185289.db2.gz DONIZKPNEPIYCL-UHFFFAOYSA-N 1 0 255.321 3.063 20 70 CGIDRO O=C(CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1 ZINC000159732711 542150975 /nfs/dbraw/zinc/15/09/75/542150975.db2.gz BCCLOBBAKFODAG-BBRMVZONSA-N 1 0 290.382 3.419 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000160094766 542152486 /nfs/dbraw/zinc/15/24/86/542152486.db2.gz AULGRGLOFXVWKW-CQSZACIVSA-N 1 0 257.381 3.452 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccccc1OC ZINC000159974658 542151737 /nfs/dbraw/zinc/15/17/37/542151737.db2.gz ZZJCQCKMFPDWGF-CYBMUJFWSA-N 1 0 273.380 3.153 20 70 CGIDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000160421552 532984940 /nfs/dbraw/zinc/98/49/40/532984940.db2.gz MHHXCQNZUJXMPH-INIZCTEOSA-N 1 0 275.392 3.259 20 70 CGIDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCSC2)CN1Cc1ccccc1 ZINC000159548936 533659212 /nfs/dbraw/zinc/65/92/12/533659212.db2.gz JIOMBDOBIXAZEI-DJIMGWMZSA-N 1 0 290.476 3.135 20 70 CGIDRO COC(=O)CCC[N@H+](CCc1ccccc1)C1CCCC1 ZINC000217223760 392993818 /nfs/dbraw/zinc/99/38/18/392993818.db2.gz ISNUEPWIDQHCPU-UHFFFAOYSA-N 1 0 289.419 3.427 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000159788213 165468025 /nfs/dbraw/zinc/46/80/25/165468025.db2.gz TVZZMDCWINJTOY-LSDHHAIUSA-N 1 0 299.393 3.459 20 70 CGIDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000218083512 262947216 /nfs/dbraw/zinc/94/72/16/262947216.db2.gz UAEPORKRZBBUAT-CYBMUJFWSA-N 1 0 296.436 3.314 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)CC2 ZINC000159926614 277983880 /nfs/dbraw/zinc/98/38/80/277983880.db2.gz XFNHYXJLUSFEMZ-CJNGLKHVSA-N 1 0 275.392 3.230 20 70 CGIDRO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161507572 301211607 /nfs/dbraw/zinc/21/16/07/301211607.db2.gz GMOJZGXBYXOOJS-QGZVFWFLSA-N 1 0 288.435 3.201 20 70 CGIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160039721 321845534 /nfs/dbraw/zinc/84/55/34/321845534.db2.gz GPRJTOSUJBEQEA-CHWSQXEVSA-N 1 0 250.386 3.393 20 70 CGIDRO CC[C@H]([NH3+])C(=O)N(C)[C@H](c1ccccc1Cl)C(C)C ZINC000160078980 321846254 /nfs/dbraw/zinc/84/62/54/321846254.db2.gz JDDJQUSKQSJOMC-KBPBESRZSA-N 1 0 282.815 3.233 20 70 CGIDRO CC[C@]1(C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000160133226 321846893 /nfs/dbraw/zinc/84/68/93/321846893.db2.gz DCHQENAWTSJNPV-FUHWJXTLSA-N 1 0 288.435 3.013 20 70 CGIDRO CC(C)c1ncc(C[NH2+][C@@H]2CCOC(C)(C)C2)s1 ZINC000160547915 321853511 /nfs/dbraw/zinc/85/35/11/321853511.db2.gz MIWQHBCTSDGDKF-LLVKDONJSA-N 1 0 268.426 3.314 20 70 CGIDRO CCC(CC)CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160575615 321854349 /nfs/dbraw/zinc/85/43/49/321854349.db2.gz GNIJVZQINYXWJH-INIZCTEOSA-N 1 0 295.471 3.083 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000160632432 321854998 /nfs/dbraw/zinc/85/49/98/321854998.db2.gz HMYXBJOTDBMGRW-AWEZNQCLSA-N 1 0 288.435 3.495 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1ccoc1)C(=O)N1c2ccccc2C[C@H]1C ZINC000160826813 321858144 /nfs/dbraw/zinc/85/81/44/321858144.db2.gz YFGDYERMCBJCFY-RDBSUJKOSA-N 1 0 298.386 3.297 20 70 CGIDRO C[C@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000160916906 321860072 /nfs/dbraw/zinc/86/00/72/321860072.db2.gz FIOHJXPGPGGIQJ-LSDHHAIUSA-N 1 0 295.471 3.081 20 70 CGIDRO Cc1cccc(C)c1OCCC[NH2+][C@H](C)C1CCOCC1 ZINC000161238633 321864716 /nfs/dbraw/zinc/86/47/16/321864716.db2.gz OKRGGNLNKVARKT-MRXNPFEDSA-N 1 0 291.435 3.477 20 70 CGIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(OC(F)F)cc1 ZINC000160079657 533832906 /nfs/dbraw/zinc/83/29/06/533832906.db2.gz HYEOKBJGORYJGV-LBPRGKRZSA-N 1 0 299.361 3.491 20 70 CGIDRO CCC(CC)(CO)C[NH2+][C@H]1CCCc2ccccc21 ZINC000161338690 521455497 /nfs/dbraw/zinc/45/54/97/521455497.db2.gz VUGYBNGVPJWKBD-INIZCTEOSA-N 1 0 261.409 3.452 20 70 CGIDRO COC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)C ZINC000161371145 522733461 /nfs/dbraw/zinc/73/34/61/522733461.db2.gz FPHZLNADJZFPII-HNNXBMFYSA-N 1 0 265.372 3.118 20 70 CGIDRO Cc1csc(C[N@@H+](CCc2nccs2)C(C)C)n1 ZINC000159874780 534804516 /nfs/dbraw/zinc/80/45/16/534804516.db2.gz IYHMYXKNARQRDD-UHFFFAOYSA-N 1 0 281.450 3.361 20 70 CGIDRO Oc1ccc(CC[NH2+]Cc2coc3ccccc23)cc1 ZINC000161096096 526343091 /nfs/dbraw/zinc/34/30/91/526343091.db2.gz CNUCTDMSCPIWEI-UHFFFAOYSA-N 1 0 267.328 3.471 20 70 CGIDRO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000161441634 526680168 /nfs/dbraw/zinc/68/01/68/526680168.db2.gz WFIMRLDEBCNMQR-NSHDSACASA-N 1 0 281.469 3.320 20 70 CGIDRO CCSCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000160377678 529180170 /nfs/dbraw/zinc/18/01/70/529180170.db2.gz QZEKUSKSJRZKPB-DZGCQCFKSA-N 1 0 265.422 3.202 20 70 CGIDRO C([NH2+]CC1C2CC3CC(C2)CC1C3)C1CCOCC1 ZINC000216846456 572384565 /nfs/dbraw/zinc/38/45/65/572384565.db2.gz QAXFJGAXEYHFIJ-UHFFFAOYSA-N 1 0 263.425 3.075 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)c(C)cc1C)CC2 ZINC000160555870 282118448 /nfs/dbraw/zinc/11/84/48/282118448.db2.gz FCJZLQSKWLULOW-ZBFHGGJFSA-N 1 0 298.434 3.177 20 70 CGIDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1C)[C@@H]1CCOC1 ZINC000160770704 529650988 /nfs/dbraw/zinc/65/09/88/529650988.db2.gz RGAIBWZPPWBVHA-UAGQMJEPSA-N 1 0 261.409 3.331 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000160111641 529689654 /nfs/dbraw/zinc/68/96/54/529689654.db2.gz QYCIOMHYPJIESW-KBPBESRZSA-N 1 0 266.404 3.077 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)cc1F ZINC000160066805 529689782 /nfs/dbraw/zinc/68/97/82/529689782.db2.gz ZOKMGTOWKQLAEN-STQMWFEESA-N 1 0 282.403 3.215 20 70 CGIDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC2(C1)CCCCC2 ZINC000161196871 232249516 /nfs/dbraw/zinc/24/95/16/232249516.db2.gz WZRVWNDVFHEKGV-HOTGVXAUSA-N 1 0 292.467 3.467 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cc(F)ccc1F ZINC000159664586 346168630 /nfs/dbraw/zinc/16/86/30/346168630.db2.gz IHFQEPQXXKDXNM-NHYWBVRUSA-N 1 0 294.345 3.168 20 70 CGIDRO Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159561624 188432542 /nfs/dbraw/zinc/43/25/42/188432542.db2.gz XAIJZGSBURXJEG-PMPSAXMXSA-N 1 0 257.377 3.042 20 70 CGIDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161139219 188509970 /nfs/dbraw/zinc/50/99/70/188509970.db2.gz WVUUHHDAANODJG-QMMMGPOBSA-N 1 0 279.277 3.094 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccs1 ZINC000161447946 188528027 /nfs/dbraw/zinc/52/80/27/188528027.db2.gz RZLILCFDWMACQZ-JSGCOSHPSA-N 1 0 261.390 3.175 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccccc1 ZINC000161446845 188528387 /nfs/dbraw/zinc/52/83/87/188528387.db2.gz OODIOTLDUUPYQL-RHSMWYFYSA-N 1 0 255.361 3.113 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CCC(=O)N1CCCCCC1 ZINC000159366749 372136514 /nfs/dbraw/zinc/13/65/14/372136514.db2.gz PHXWYHZZFYSDTE-INIZCTEOSA-N 1 0 288.435 3.438 20 70 CGIDRO C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCOCC(F)(F)F ZINC000159377143 372137950 /nfs/dbraw/zinc/13/79/50/372137950.db2.gz DXPCVFWZIMOAOI-ZANVPECISA-N 1 0 291.288 3.228 20 70 CGIDRO CC(C)CCOCC[N@H+](CCc1nccs1)C(C)C ZINC000159784132 372180422 /nfs/dbraw/zinc/18/04/22/372180422.db2.gz ANAFAOJOOICZPU-UHFFFAOYSA-N 1 0 284.469 3.459 20 70 CGIDRO Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159477518 372147426 /nfs/dbraw/zinc/14/74/26/372147426.db2.gz FIHCJSVEIACDBL-XHSDSOJGSA-N 1 0 257.377 3.042 20 70 CGIDRO C[N@H+](C[C@@H]1CCC[C@@H]1O)[C@@H]1CCCc2ccccc21 ZINC000159477012 372147886 /nfs/dbraw/zinc/14/78/86/372147886.db2.gz FIAGCPOQJISONY-UAGQMJEPSA-N 1 0 259.393 3.157 20 70 CGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)CC2CC2)cc1 ZINC000159503339 372150478 /nfs/dbraw/zinc/15/04/78/372150478.db2.gz VCYQTRXNBNGRJE-STQMWFEESA-N 1 0 295.448 3.319 20 70 CGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000159573909 372157390 /nfs/dbraw/zinc/15/73/90/372157390.db2.gz BZQVMKMNEIMKKZ-UHFFFAOYSA-N 1 0 297.402 3.101 20 70 CGIDRO C[C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C ZINC000159805146 372181483 /nfs/dbraw/zinc/18/14/83/372181483.db2.gz MEALMHGEGHETOD-HUUCEWRRSA-N 1 0 294.483 3.392 20 70 CGIDRO C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000159626694 372162963 /nfs/dbraw/zinc/16/29/63/372162963.db2.gz JGFRENDNLQTPKK-FOGDFJRCSA-N 1 0 298.789 3.174 20 70 CGIDRO C[C@H](C[NH2+]C[C@@H](O)c1ccccc1F)c1ccccc1 ZINC000159740764 372175898 /nfs/dbraw/zinc/17/58/98/372175898.db2.gz PFESBCYOULJRJY-CXAGYDPISA-N 1 0 273.351 3.252 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160096968 372212779 /nfs/dbraw/zinc/21/27/79/372212779.db2.gz BRBQDXIMXXLKPL-AWEZNQCLSA-N 1 0 277.408 3.289 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)C(C)(C)C)cn1 ZINC000160091016 372213179 /nfs/dbraw/zinc/21/31/79/372213179.db2.gz WXEDUNZOJZFPHW-GFCCVEGCSA-N 1 0 250.386 3.393 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccccc21 ZINC000160123956 372216540 /nfs/dbraw/zinc/21/65/40/372216540.db2.gz AJACHZJGYRVYPG-GDBMZVCRSA-N 1 0 276.424 3.220 20 70 CGIDRO CC[C@@H]([NH2+]CCOc1c(C)cccc1C)[C@H]1CCOC1 ZINC000160278107 372233707 /nfs/dbraw/zinc/23/37/07/372233707.db2.gz MPUCYLAILQVNBC-JKSUJKDBSA-N 1 0 277.408 3.087 20 70 CGIDRO CCc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])o2)cc1 ZINC000160298682 372235896 /nfs/dbraw/zinc/23/58/96/372235896.db2.gz VFABDYLRQFITAM-HNNXBMFYSA-N 1 0 298.386 3.072 20 70 CGIDRO COCCC[NH2+]C/C(C)=C/c1ccc(Cl)cc1 ZINC000159877098 372190324 /nfs/dbraw/zinc/19/03/24/372190324.db2.gz AGNJIDHFSBMYNP-ZRDIBKRKSA-N 1 0 253.773 3.369 20 70 CGIDRO Cc1cc(C(=O)NCC(C)(C)[NH3+])c(C)n1C1CCCCC1 ZINC000159990663 372201220 /nfs/dbraw/zinc/20/12/20/372201220.db2.gz VIQYZNQZADCLBZ-UHFFFAOYSA-N 1 0 291.439 3.077 20 70 CGIDRO CN(C(=O)C[NH2+]CC1CC1)c1ccc(-c2ccccc2)cc1 ZINC000161082814 372300710 /nfs/dbraw/zinc/30/07/10/372300710.db2.gz MZBUGAHJIXVEJZ-UHFFFAOYSA-N 1 0 294.398 3.316 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]CC2=Cc3ccccc3OC2)CCO1 ZINC000160516518 372254114 /nfs/dbraw/zinc/25/41/14/372254114.db2.gz CYZUZFYQHDSCDC-HNNXBMFYSA-N 1 0 273.376 3.010 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000161088851 372300922 /nfs/dbraw/zinc/30/09/22/372300922.db2.gz UDJCHVAVHMXIDB-ZBFHGGJFSA-N 1 0 280.456 3.051 20 70 CGIDRO CCOc1ccc([C@@H](CC)[NH2+]CC(C)(C)O)cc1OCC ZINC000160645590 372264587 /nfs/dbraw/zinc/26/45/87/372264587.db2.gz KWQNHUAGEOTELJ-CQSZACIVSA-N 1 0 295.423 3.296 20 70 CGIDRO CCC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160830263 372280123 /nfs/dbraw/zinc/28/01/23/372280123.db2.gz JVBCHCFQKXSEEA-KBPBESRZSA-N 1 0 282.815 3.281 20 70 CGIDRO Cc1nc2ccccn2c1C[N@H+](C)CCc1cccs1 ZINC000160852316 372281578 /nfs/dbraw/zinc/28/15/78/372281578.db2.gz IDAOGXNUXQBDPU-UHFFFAOYSA-N 1 0 285.416 3.379 20 70 CGIDRO Cc1c([C@@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)cnn1C ZINC000160890077 372285438 /nfs/dbraw/zinc/28/54/38/372285438.db2.gz QZGQMBUECJDAKU-SECBINFHSA-N 1 0 281.762 3.372 20 70 CGIDRO Cc1c([C@H](C)[NH2+]Cc2cc(F)cc(Cl)c2)cnn1C ZINC000160890207 372286196 /nfs/dbraw/zinc/28/61/96/372286196.db2.gz QZGQMBUECJDAKU-VIFPVBQESA-N 1 0 281.762 3.372 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccnc2)C12CCC2 ZINC000160898203 372287331 /nfs/dbraw/zinc/28/73/31/372287331.db2.gz KPEPYRNLGIQTJX-BPLDGKMQSA-N 1 0 260.381 3.080 20 70 CGIDRO CCC1(CO)CC[NH+](CCC(=O)c2ccc(C)cc2)CC1 ZINC000161304961 372316232 /nfs/dbraw/zinc/31/62/32/372316232.db2.gz FMZMYSZEHKKLDM-UHFFFAOYSA-N 1 0 289.419 3.052 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)cn1 ZINC000161311187 372316444 /nfs/dbraw/zinc/31/64/44/372316444.db2.gz JSPHGWYBHRTTRS-ZDUSSCGKSA-N 1 0 287.382 3.446 20 70 CGIDRO CCOc1ccc(Cl)cc1[C@H](C)NC1CC[NH+](C)CC1 ZINC000161455534 372325157 /nfs/dbraw/zinc/32/51/57/372325157.db2.gz ZJCBGBWPQOGQBU-LBPRGKRZSA-N 1 0 296.842 3.484 20 70 CGIDRO CSC[C@](C)(O)C[NH2+]Cc1cccc2ccccc21 ZINC000217867100 376181692 /nfs/dbraw/zinc/18/16/92/376181692.db2.gz INFDIORLHNDVPM-MRXNPFEDSA-N 1 0 275.417 3.043 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)C1CC1)CC2 ZINC000159555247 542149749 /nfs/dbraw/zinc/14/97/49/542149749.db2.gz FRFMRLAXCUBWIP-WBMJQRKESA-N 1 0 259.393 3.188 20 70 CGIDRO CCCn1nccc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000159975911 542151978 /nfs/dbraw/zinc/15/19/78/542151978.db2.gz ZGOVIJWHSHPQTC-UHFFFAOYSA-N 1 0 282.391 3.107 20 70 CGIDRO CCCn1nccc1C[NH2+]Cc1cccc2cccnc21 ZINC000160184774 542152515 /nfs/dbraw/zinc/15/25/15/542152515.db2.gz DGCVILGCQKWOLD-UHFFFAOYSA-N 1 0 280.375 3.131 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000160082128 542152622 /nfs/dbraw/zinc/15/26/22/542152622.db2.gz YTIPJIXSPHXGCT-AWEZNQCLSA-N 1 0 287.407 3.110 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)Cc1ccc(C)s1 ZINC000160153989 542153093 /nfs/dbraw/zinc/15/30/93/542153093.db2.gz SDYBEPWSSPQYLA-GFCCVEGCSA-N 1 0 277.437 3.384 20 70 CGIDRO CCC[C@H](CCc1ccccc1)NC(=O)CC1([NH3+])CCC1 ZINC000160939250 542155970 /nfs/dbraw/zinc/15/59/70/542155970.db2.gz RWGALODEEMSDLN-MRXNPFEDSA-N 1 0 288.435 3.176 20 70 CGIDRO O=C([C@@H]([NH2+]C1CC=CC1)c1ccccc1)N1CCCCC1 ZINC000160894516 542156156 /nfs/dbraw/zinc/15/61/56/542156156.db2.gz WUYNEDKRCWHQFA-KRWDZBQOSA-N 1 0 284.403 3.048 20 70 CGIDRO CC[C@H](C)[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1 ZINC000161224274 542157839 /nfs/dbraw/zinc/15/78/39/542157839.db2.gz MYJJHBKOOZRUIN-HNNXBMFYSA-N 1 0 297.464 3.112 20 70 CGIDRO COC[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)C1CC1 ZINC000161495988 542158910 /nfs/dbraw/zinc/15/89/10/542158910.db2.gz QGWYEWNYWDCUSU-OAHLLOKOSA-N 1 0 288.416 3.325 20 70 CGIDRO OCC1(C[NH2+]Cc2ccccc2C(F)(F)F)CCCC1 ZINC000160076177 285247708 /nfs/dbraw/zinc/24/77/08/285247708.db2.gz KUTQATKDYGGLDW-UHFFFAOYSA-N 1 0 287.325 3.348 20 70 CGIDRO [NH3+][C@@H](CC(=O)N1CCC[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000218011667 130764911 /nfs/dbraw/zinc/76/49/11/130764911.db2.gz CLIQTFBCHMYLNE-IXDOHACOSA-N 1 0 286.419 3.258 20 70 CGIDRO C[C@@H](NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1cscn1 ZINC000218232619 287628505 /nfs/dbraw/zinc/62/85/05/287628505.db2.gz IYTSANPQXFTSAU-NFAWXSAZSA-N 1 0 281.469 3.304 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC000217377510 270085124 /nfs/dbraw/zinc/08/51/24/270085124.db2.gz KQXWMMFQBAINOT-INIZCTEOSA-N 1 0 262.441 3.432 20 70 CGIDRO C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC2 ZINC000217634365 270085188 /nfs/dbraw/zinc/08/51/88/270085188.db2.gz OEOFXZWPOKCVHF-JVPBZIDWSA-N 1 0 284.447 3.453 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000159851039 275515849 /nfs/dbraw/zinc/51/58/49/275515849.db2.gz OAPZORJLKJHYKP-HNNXBMFYSA-N 1 0 288.435 3.303 20 70 CGIDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)CC2 ZINC000159976328 277438449 /nfs/dbraw/zinc/43/84/49/277438449.db2.gz PVZBAYRNGIKKMV-HOTGVXAUSA-N 1 0 289.419 3.100 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCO2)c1 ZINC000160010379 277920374 /nfs/dbraw/zinc/92/03/74/277920374.db2.gz GDQFKXQXFRRANK-KCQAQPDRSA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC2CCCC2)C[C@H](C)O1 ZINC000159637484 288191943 /nfs/dbraw/zinc/19/19/43/288191943.db2.gz FKKDDIHVPQFLIU-JZXOWHBKSA-N 1 0 294.483 3.140 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)cc3cccnc32)CCO1 ZINC000160561046 321853458 /nfs/dbraw/zinc/85/34/58/321853458.db2.gz UPRKJHUAHCKIIR-OAHLLOKOSA-N 1 0 288.366 3.421 20 70 CGIDRO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160995804 321861028 /nfs/dbraw/zinc/86/10/28/321861028.db2.gz OXWVIEIBTHBLQS-RISCZKNCSA-N 1 0 288.416 3.035 20 70 CGIDRO CC[C@@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161124288 321862453 /nfs/dbraw/zinc/86/24/53/321862453.db2.gz QMFLNIHMWWORPC-CHWSQXEVSA-N 1 0 282.378 3.317 20 70 CGIDRO CC[C@H]([NH2+]CCCOc1c(C)cccc1C)[C@@H]1CCOC1 ZINC000161237163 321864618 /nfs/dbraw/zinc/86/46/18/321864618.db2.gz XWXNVRIGADZVLK-SJORKVTESA-N 1 0 291.435 3.477 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)C1CCOCC1)COCc1ccccc1 ZINC000161315848 321866063 /nfs/dbraw/zinc/86/60/63/321866063.db2.gz PHKNNEDZLWMLMS-HZPDHXFCSA-N 1 0 291.435 3.244 20 70 CGIDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000160361540 519850711 /nfs/dbraw/zinc/85/07/11/519850711.db2.gz MNUWYYVORFQIMV-UHFFFAOYSA-N 1 0 298.789 3.037 20 70 CGIDRO COC[C@H]([NH2+]CCCCc1nc(C)cs1)C(C)C ZINC000160694837 522737370 /nfs/dbraw/zinc/73/73/70/522737370.db2.gz CPEWONKPEREBBM-ZDUSSCGKSA-N 1 0 270.442 3.035 20 70 CGIDRO CCn1cc([C@@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160389815 523456707 /nfs/dbraw/zinc/45/67/07/523456707.db2.gz CZBUOVKLKNHOGS-RHSMWYFYSA-N 1 0 292.471 3.064 20 70 CGIDRO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[C@@H]1c1ccccc1 ZINC000161234816 524531050 /nfs/dbraw/zinc/53/10/50/524531050.db2.gz BRVHSNXLLHAUJA-BBRMVZONSA-N 1 0 298.386 3.004 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1cccc(C)c1)C1CC1 ZINC000160394102 525641687 /nfs/dbraw/zinc/64/16/87/525641687.db2.gz VMADDRGWTZAAHE-SJORKVTESA-N 1 0 293.476 3.020 20 70 CGIDRO Cc1nc(C(C)(C)NCCC[NH+]2CCCCC2)sc1C ZINC000161437802 526663446 /nfs/dbraw/zinc/66/34/46/526663446.db2.gz MNMQVIJAUAJXAO-UHFFFAOYSA-N 1 0 295.496 3.461 20 70 CGIDRO CC(C)(C)c1nc(C[NH2+][C@H]2CCOC(C)(C)C2)cs1 ZINC000159779268 526867194 /nfs/dbraw/zinc/86/71/94/526867194.db2.gz CJFZKPIMYUUQIG-NSHDSACASA-N 1 0 282.453 3.488 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)ccc1F ZINC000160068185 529343982 /nfs/dbraw/zinc/34/39/82/529343982.db2.gz WPPCYSYMAWDNQY-NEPJUHHUSA-N 1 0 270.367 3.346 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)[C@@H](C)C1CCCCC1)CC2 ZINC000160441789 282127020 /nfs/dbraw/zinc/12/70/20/282127020.db2.gz BQENCKNXTBQGPR-XJKCOSOUSA-N 1 0 290.455 3.096 20 70 CGIDRO COc1ccc(CC[C@H](C)[NH2+]CC2(CO)CCCC2)cc1 ZINC000160080640 232242669 /nfs/dbraw/zinc/24/26/69/232242669.db2.gz YHRAAHGBMOLMDP-HNNXBMFYSA-N 1 0 291.435 3.159 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]CC2(c3ccc(F)cc3)CC2)cn1 ZINC000161349011 232249219 /nfs/dbraw/zinc/24/92/19/232249219.db2.gz RODXTBXZKCQAEN-CYBMUJFWSA-N 1 0 287.382 3.425 20 70 CGIDRO COc1cccc(CCC[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000159536663 346167660 /nfs/dbraw/zinc/16/76/60/346167660.db2.gz AVUPPYLGXRSSII-QGZVFWFLSA-N 1 0 277.408 3.129 20 70 CGIDRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccc2c(c1)OCCO2 ZINC000159556469 346167691 /nfs/dbraw/zinc/16/76/91/346167691.db2.gz YGBSUAIOLFGNOK-KGLIPLIRSA-N 1 0 293.432 3.394 20 70 CGIDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000218135180 346292909 /nfs/dbraw/zinc/29/29/09/346292909.db2.gz BMJNUCDHDYHWKO-UONOGXRCSA-N 1 0 271.408 3.489 20 70 CGIDRO CCOC(CC[NH2+][C@H](C)c1ccc(C)cc1)OCC ZINC000159917709 188447898 /nfs/dbraw/zinc/44/78/98/188447898.db2.gz ILQDGERVUFKTMS-CQSZACIVSA-N 1 0 265.397 3.435 20 70 CGIDRO Cc1ccsc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159581054 188433170 /nfs/dbraw/zinc/43/31/70/188433170.db2.gz XTAPOQGAOIEESW-XBFCOCLRSA-N 1 0 263.406 3.104 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000160136928 188457073 /nfs/dbraw/zinc/45/70/73/188457073.db2.gz QIVCIKOLBWHXHU-KBPBESRZSA-N 1 0 269.392 3.381 20 70 CGIDRO Cc1c(C[NH2+]Cc2csc3ccccc23)cnn1C ZINC000160220043 188460156 /nfs/dbraw/zinc/46/01/56/188460156.db2.gz SXEAZAGFQDVBLD-UHFFFAOYSA-N 1 0 271.389 3.233 20 70 CGIDRO CC(C)[NH+](CCSCc1cccnc1)C(C)C ZINC000161010650 188502754 /nfs/dbraw/zinc/50/27/54/188502754.db2.gz BYLANURGELKNTC-UHFFFAOYSA-N 1 0 252.427 3.434 20 70 CGIDRO CC(C)C[C@@H](C[NH2+]Cc1cccc2cc[nH]c21)N(C)C ZINC000218099754 138493087 /nfs/dbraw/zinc/49/30/87/138493087.db2.gz MWBNMMNQPOSUBI-INIZCTEOSA-N 1 0 273.424 3.234 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccco1 ZINC000159374011 372136367 /nfs/dbraw/zinc/13/63/67/372136367.db2.gz UHSFBAKCIMRGQN-GOEBONIOSA-N 1 0 267.413 3.378 20 70 CGIDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(Cl)s1 ZINC000159411440 372140719 /nfs/dbraw/zinc/14/07/19/372140719.db2.gz RIQFPYYNNURYSM-NSHDSACASA-N 1 0 290.860 3.020 20 70 CGIDRO Fc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514102 372150787 /nfs/dbraw/zinc/15/07/87/372150787.db2.gz JJMIWIWAGURYAO-GLQYFDAESA-N 1 0 279.330 3.012 20 70 CGIDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159805280 372181047 /nfs/dbraw/zinc/18/10/47/372181047.db2.gz MEALMHGEGHETOD-LSDHHAIUSA-N 1 0 294.483 3.392 20 70 CGIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCSC1 ZINC000159542716 372153622 /nfs/dbraw/zinc/15/36/22/372153622.db2.gz MWWLRGRWPAGHQV-HZPDHXFCSA-N 1 0 297.439 3.259 20 70 CGIDRO c1cc2c(cccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH]1 ZINC000159571892 372155872 /nfs/dbraw/zinc/15/58/72/372155872.db2.gz WVOHFQQIMWZUEM-XIRDDKMYSA-N 1 0 282.387 3.215 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1F ZINC000159675117 372167647 /nfs/dbraw/zinc/16/76/47/372167647.db2.gz SDHKUNVPHOLTJH-WFASDCNBSA-N 1 0 276.355 3.029 20 70 CGIDRO [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000159718939 372172166 /nfs/dbraw/zinc/17/21/66/372172166.db2.gz VSWMBTYMIZHLRI-MSOLQXFVSA-N 1 0 294.398 3.211 20 70 CGIDRO C[C@@H](c1ccccc1Cl)[N@H+](C)CCn1ccnc1 ZINC000159763009 372177510 /nfs/dbraw/zinc/17/75/10/372177510.db2.gz AGQJQPDKWKTKJL-LBPRGKRZSA-N 1 0 263.772 3.230 20 70 CGIDRO CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)CCC[NH3+] ZINC000160073749 372208118 /nfs/dbraw/zinc/20/81/18/372208118.db2.gz ZNMHERXUQYOKLS-CQSZACIVSA-N 1 0 268.445 3.227 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)c(F)c1 ZINC000160074523 372210604 /nfs/dbraw/zinc/21/06/04/372210604.db2.gz BACMMHKKYQECEW-LBPRGKRZSA-N 1 0 281.371 3.038 20 70 CGIDRO CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCC[NH3+] ZINC000160079790 372210949 /nfs/dbraw/zinc/21/09/49/372210949.db2.gz NJVXHSVMRBEYIU-OAHLLOKOSA-N 1 0 282.815 3.234 20 70 CGIDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000160102467 372211888 /nfs/dbraw/zinc/21/18/88/372211888.db2.gz CKXOETHGQDDVAP-AEGPPILISA-N 1 0 262.397 3.326 20 70 CGIDRO OCC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCCC1 ZINC000160116351 372214216 /nfs/dbraw/zinc/21/42/16/372214216.db2.gz YYRSQGFATOGYAT-UHFFFAOYSA-N 1 0 287.325 3.348 20 70 CGIDRO CCc1nc2c(s1)[C@@H](NCC[N@@H+](C)[C@@H](C)CC)CCC2 ZINC000160106795 372214745 /nfs/dbraw/zinc/21/47/45/372214745.db2.gz LYIZSKMOBMHBLG-STQMWFEESA-N 1 0 295.496 3.403 20 70 CGIDRO CCC[C@H]([NH2+][C@@H](CCO)CSC)c1ccccc1 ZINC000160148296 372217773 /nfs/dbraw/zinc/21/77/73/372217773.db2.gz RYUSPLYNNVEROO-GJZGRUSLSA-N 1 0 267.438 3.231 20 70 CGIDRO CCC[C@@H]([NH2+][C@H](C)CC)C(=O)N1CCc2sccc2C1 ZINC000160186816 372222164 /nfs/dbraw/zinc/22/21/64/372222164.db2.gz GTWFUTKTNDHFMS-TZMCWYRMSA-N 1 0 294.464 3.190 20 70 CGIDRO Cc1cnc(C)c(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160234223 372227505 /nfs/dbraw/zinc/22/75/05/372227505.db2.gz QSRHQNNJDWTUEK-GUYCJALGSA-N 1 0 296.418 3.026 20 70 CGIDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)cc1 ZINC000159951401 372198080 /nfs/dbraw/zinc/19/80/80/372198080.db2.gz ZLNOQLNXFQLCRW-UKRRQHHQSA-N 1 0 277.408 3.173 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](COC)C2CC2)cc1OC ZINC000159978914 372199948 /nfs/dbraw/zinc/19/99/48/372199948.db2.gz CFSKSFKGYVVIQV-IUODEOHRSA-N 1 0 293.407 3.170 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)COC)cc1OC ZINC000159975068 372200707 /nfs/dbraw/zinc/20/07/07/372200707.db2.gz HZEZJPUVOLJNFB-GXTWGEPZSA-N 1 0 281.396 3.170 20 70 CGIDRO Cc1cccc(C)c1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000160413376 372244505 /nfs/dbraw/zinc/24/45/05/372244505.db2.gz RYXFHZRONMCDPV-UHFFFAOYSA-N 1 0 260.425 3.266 20 70 CGIDRO C[C@@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccco1 ZINC000160415674 372246662 /nfs/dbraw/zinc/24/66/62/372246662.db2.gz KDDYVOPJAXXMKB-HIFRSBDPSA-N 1 0 264.413 3.441 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc3ccccc3o2)CCO1 ZINC000160462492 372249783 /nfs/dbraw/zinc/24/97/83/372249783.db2.gz LJJXJMMTMKFYRB-ZDUSSCGKSA-N 1 0 259.349 3.480 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H](C)CC)c1 ZINC000160566184 372257702 /nfs/dbraw/zinc/25/77/02/372257702.db2.gz QRCVWGDZMUVWEN-UONOGXRCSA-N 1 0 276.424 3.351 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)CCO1 ZINC000160561848 372257802 /nfs/dbraw/zinc/25/78/02/372257802.db2.gz SKFBCUJMJGTOAE-JTQLQIEISA-N 1 0 273.298 3.151 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160575671 372259736 /nfs/dbraw/zinc/25/97/36/372259736.db2.gz JWZJAHJVXUFHQX-KBPBESRZSA-N 1 0 287.411 3.091 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](CC)C(C)C)c1 ZINC000160616813 372263140 /nfs/dbraw/zinc/26/31/40/372263140.db2.gz JLCOHJPJEAWPFY-INIZCTEOSA-N 1 0 276.424 3.351 20 70 CGIDRO CCc1ccc([C@H](CO)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000160766661 372273316 /nfs/dbraw/zinc/27/33/16/372273316.db2.gz APCRQXJFFRCBDP-RDJZCZTQSA-N 1 0 259.393 3.228 20 70 CGIDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccc(Cl)cc2)n1 ZINC000160806899 372277976 /nfs/dbraw/zinc/27/79/76/372277976.db2.gz HVJGDTOJFRJUQB-UHFFFAOYSA-N 1 0 276.767 3.381 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccn2)C12CCC2 ZINC000160833054 372279577 /nfs/dbraw/zinc/27/95/77/372279577.db2.gz UWJVLICHGSEJOZ-BPLDGKMQSA-N 1 0 260.381 3.080 20 70 CGIDRO Cc1ccc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127035 372303937 /nfs/dbraw/zinc/30/39/37/372303937.db2.gz BMKJRCPKYKPEMF-MJBXVCDLSA-N 1 0 250.386 3.111 20 70 CGIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@H]([NH3+])c1ccccc1 ZINC000161230401 372311148 /nfs/dbraw/zinc/31/11/48/372311148.db2.gz JZRLBZQNGZUOBV-TZMCWYRMSA-N 1 0 262.397 3.017 20 70 CGIDRO CC[C@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)cc1 ZINC000161307916 372316042 /nfs/dbraw/zinc/31/60/42/372316042.db2.gz DRIGCPZXFOUJCC-HNNXBMFYSA-N 1 0 261.344 3.109 20 70 CGIDRO CC[C@H](C(=O)Nc1ccc(Oc2ccccc2)nc1)[NH+](C)C ZINC000161333443 372317804 /nfs/dbraw/zinc/31/78/04/372317804.db2.gz DMVMPWUSUMGRMA-OAHLLOKOSA-N 1 0 299.374 3.153 20 70 CGIDRO CCOC[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000161378528 372318993 /nfs/dbraw/zinc/31/89/93/372318993.db2.gz AAJPCVMATXGNCY-DOTOQJQBSA-N 1 0 279.424 3.069 20 70 CGIDRO Cc1cccn2cc(C[NH2+][C@H](C)CCc3ccco3)nc12 ZINC000161461718 372326931 /nfs/dbraw/zinc/32/69/31/372326931.db2.gz YVTBPJAKLZQQIC-CQSZACIVSA-N 1 0 283.375 3.347 20 70 CGIDRO C(CN1CCS[C@H]2CCCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161493870 372329728 /nfs/dbraw/zinc/32/97/28/372329728.db2.gz MODAYSVFLKEXHH-HOTGVXAUSA-N 1 0 282.497 3.222 20 70 CGIDRO O=C(NCCC[NH+]1CCCCC1)NCCC1=CCCCC1 ZINC000217445084 376174087 /nfs/dbraw/zinc/17/40/87/376174087.db2.gz BKGUBAFBAMJNCF-UHFFFAOYSA-N 1 0 293.455 3.052 20 70 CGIDRO C[N@@H+]1CCC[C@H](CN[C@@H](c2ccco2)c2ccccc2)C1 ZINC000217569928 376177849 /nfs/dbraw/zinc/17/78/49/376177849.db2.gz ZMMUNDYXXKULLU-CRAIPNDOSA-N 1 0 284.403 3.300 20 70 CGIDRO C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000218118038 376184868 /nfs/dbraw/zinc/18/48/68/376184868.db2.gz GNIUMPNSCRORRY-AAEUAGOBSA-N 1 0 294.395 3.017 20 70 CGIDRO c1cc2cccc(C[NH2+]C[C@H]3Cc4ccccc4O3)c2[nH]1 ZINC000218089699 376184960 /nfs/dbraw/zinc/18/49/60/376184960.db2.gz JKSAADIVVMCOBJ-MRXNPFEDSA-N 1 0 278.355 3.261 20 70 CGIDRO CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160847496 542156571 /nfs/dbraw/zinc/15/65/71/542156571.db2.gz BNBMNBZDQGKYCD-GJZGRUSLSA-N 1 0 267.800 3.494 20 70 CGIDRO C[C@H](Cc1cccs1)[NH2+][C@H]1CCCc2[nH]c(=O)ccc21 ZINC000160975560 542157463 /nfs/dbraw/zinc/15/74/63/542157463.db2.gz MWSWJKOKIZPIRW-RISCZKNCSA-N 1 0 288.416 3.035 20 70 CGIDRO CC(C)[C@H](CC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000161053426 542157574 /nfs/dbraw/zinc/15/75/74/542157574.db2.gz OUWSCDSPTVHOEJ-BBWFWOEESA-N 1 0 288.435 3.202 20 70 CGIDRO Cc1ncc(-c2cccc(OCC[NH+](C)C)c2)s1 ZINC000218054008 542286437 /nfs/dbraw/zinc/28/64/37/542286437.db2.gz KJRGWYOFFPWFID-UHFFFAOYSA-N 1 0 262.378 3.059 20 70 CGIDRO CC(C)(NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000159646395 165467952 /nfs/dbraw/zinc/46/79/52/165467952.db2.gz MOQFGARYTGGKLT-FZMZJTMJSA-N 1 0 294.826 3.209 20 70 CGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1N(C)C ZINC000160599199 278264158 /nfs/dbraw/zinc/26/41/58/278264158.db2.gz YUHCRGJAHCLAIT-AHIWAGSCSA-N 1 0 294.414 3.093 20 70 CGIDRO C[C@@H]1SCC[N@H+](CCn2ccnc2)[C@@H]1c1ccccc1 ZINC000159834871 279072574 /nfs/dbraw/zinc/07/25/74/279072574.db2.gz YXFMJZNZDCUPCO-HOCLYGCPSA-N 1 0 287.432 3.062 20 70 CGIDRO CCSCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000159584579 280036097 /nfs/dbraw/zinc/03/60/97/280036097.db2.gz HVBNTVMYQCCIIW-CQSZACIVSA-N 1 0 269.410 3.014 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)C1(C)CC1)N1CCc2ccccc2C1 ZINC000159829190 298777197 /nfs/dbraw/zinc/77/71/97/298777197.db2.gz JXGOXZHNKCTKGK-CABCVRRESA-N 1 0 272.436 3.211 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1=O)C1CCC1 ZINC000160215805 321848746 /nfs/dbraw/zinc/84/87/46/321848746.db2.gz IFLKJHUDSNBEMC-IUODEOHRSA-N 1 0 290.382 3.099 20 70 CGIDRO C[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000160916811 321860133 /nfs/dbraw/zinc/86/01/33/321860133.db2.gz FIOHJXPGPGGIQJ-HUUCEWRRSA-N 1 0 295.471 3.081 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)CCC(C)(C)C ZINC000161238123 321864757 /nfs/dbraw/zinc/86/47/57/321864757.db2.gz IVGOITVVEZOXJD-GFCCVEGCSA-N 1 0 256.434 3.083 20 70 CGIDRO CC[NH+]1CCC(CCNc2nc(C(C)(C)C)ns2)CC1 ZINC000159659647 521549464 /nfs/dbraw/zinc/54/94/64/521549464.db2.gz HBGKNSMCMHSWNB-UHFFFAOYSA-N 1 0 296.484 3.370 20 70 CGIDRO CC[C@H](NCCC[NH+](C)C)c1cccc(Cl)c1F ZINC000161480379 522580589 /nfs/dbraw/zinc/58/05/89/522580589.db2.gz KNUFYCXHPBIYFA-ZDUSSCGKSA-N 1 0 272.795 3.472 20 70 CGIDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)[C@@H]1CCOC1 ZINC000160695102 522581239 /nfs/dbraw/zinc/58/12/39/522581239.db2.gz FEPDJTVHCHHRAS-KGLIPLIRSA-N 1 0 282.453 3.179 20 70 CGIDRO CC[C@@H]([NH2+]CCCCc1nc(C)cs1)[C@@H]1CCOC1 ZINC000160695248 522825674 /nfs/dbraw/zinc/82/56/74/522825674.db2.gz FEPDJTVHCHHRAS-ZIAGYGMSSA-N 1 0 282.453 3.179 20 70 CGIDRO CC[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160960576 522855357 /nfs/dbraw/zinc/85/53/57/522855357.db2.gz KMHLZFFNXUXKSW-WMLDXEAASA-N 1 0 269.392 3.191 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+]C1CC(c2cccc(Cl)c2)C1 ZINC000159864208 526311713 /nfs/dbraw/zinc/31/17/13/526311713.db2.gz ILOIXXJOKBOLSP-UHFFFAOYSA-N 1 0 294.826 3.090 20 70 CGIDRO CCOCCC[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000160656408 346171711 /nfs/dbraw/zinc/17/17/11/346171711.db2.gz OVXQJZFUYFIKJW-CQSZACIVSA-N 1 0 257.324 3.432 20 70 CGIDRO CCOc1cccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159493840 188428652 /nfs/dbraw/zinc/42/86/52/188428652.db2.gz JSKLNQKMMYOZLF-ZACQAIPSSA-N 1 0 287.403 3.133 20 70 CGIDRO FC(F)(F)COCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000159363841 372135256 /nfs/dbraw/zinc/13/52/56/372135256.db2.gz CYWROWGMMSMMQR-LBPRGKRZSA-N 1 0 289.297 3.069 20 70 CGIDRO COC[C@@H](Cc1ccccc1)[NH2+]C[C@](C)(O)CCC(C)C ZINC000159385797 372137529 /nfs/dbraw/zinc/13/75/29/372137529.db2.gz QFTKZPVZQZNBML-QZTJIDSGSA-N 1 0 293.451 3.021 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cnccn2)C1 ZINC000159404247 372139132 /nfs/dbraw/zinc/13/91/32/372139132.db2.gz ICDDDQNFMNVTDQ-YNEHKIRRSA-N 1 0 265.426 3.192 20 70 CGIDRO CCN(CC[NH2+][C@H](C)c1cncs1)C(=O)OC(C)(C)C ZINC000159457939 372145544 /nfs/dbraw/zinc/14/55/44/372145544.db2.gz AIKKRARVGJRXTK-LLVKDONJSA-N 1 0 299.440 3.051 20 70 CGIDRO c1c2ccccc2oc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159491100 372148896 /nfs/dbraw/zinc/14/88/96/372148896.db2.gz CXRWXOHYHUXGQJ-UAGQMJEPSA-N 1 0 283.371 3.480 20 70 CGIDRO CC[C@H]([NH2+]CCc1cc(C)cc(C)c1)[C@@H]1CCOC1 ZINC000159498724 372150833 /nfs/dbraw/zinc/15/08/33/372150833.db2.gz HXAFESIJJNBSKZ-SJORKVTESA-N 1 0 261.409 3.251 20 70 CGIDRO COc1ccc(C[NH+](C)C)cc1NCc1ccc(C)nc1 ZINC000159569530 372155960 /nfs/dbraw/zinc/15/59/60/372155960.db2.gz UBEROHQHHVQCPJ-UHFFFAOYSA-N 1 0 285.391 3.072 20 70 CGIDRO Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159561496 372156148 /nfs/dbraw/zinc/15/61/48/372156148.db2.gz XAIJZGSBURXJEG-OAGGEKHMSA-N 1 0 257.377 3.042 20 70 CGIDRO c1sc(C2CC2)nc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159589476 372159030 /nfs/dbraw/zinc/15/90/30/372159030.db2.gz UFWMHSAFKUIBGK-MCIONIFRSA-N 1 0 290.432 3.068 20 70 CGIDRO C[C@H](Nc1nc(C(C)(C)C)ns1)C(C)(C)C[NH+](C)C ZINC000159635656 372162817 /nfs/dbraw/zinc/16/28/17/372162817.db2.gz PREBWVITUDLKNO-JTQLQIEISA-N 1 0 284.473 3.224 20 70 CGIDRO Cc1ccccc1[C@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000159624268 372163082 /nfs/dbraw/zinc/16/30/82/372163082.db2.gz RDGATUGYZXVSLU-HNNXBMFYSA-N 1 0 288.435 3.294 20 70 CGIDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[C@@H]1O ZINC000159662721 372166683 /nfs/dbraw/zinc/16/66/83/372166683.db2.gz MYXOBCSGNRSRLO-JSGCOSHPSA-N 1 0 287.325 3.298 20 70 CGIDRO C[C@H]([NH2+]CCO)c1ccc(Oc2ccccc2)c(F)c1 ZINC000159688208 372170470 /nfs/dbraw/zinc/17/04/70/372170470.db2.gz PHIZKWMFRPHXAB-LBPRGKRZSA-N 1 0 275.323 3.261 20 70 CGIDRO C[C@@H]([NH2+]CCO)c1ccc(SC2CCCC2)cc1 ZINC000159720484 372171328 /nfs/dbraw/zinc/17/13/28/372171328.db2.gz KIVOSRXPXNZULG-GFCCVEGCSA-N 1 0 265.422 3.364 20 70 CGIDRO CSCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159712507 372172183 /nfs/dbraw/zinc/17/21/83/372172183.db2.gz FMQQSWGUVUWLRX-AWEZNQCLSA-N 1 0 250.411 3.280 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094962 372213208 /nfs/dbraw/zinc/21/32/08/372213208.db2.gz RIJRMVUQWGXSCQ-QWRGUYRKSA-N 1 0 288.357 3.485 20 70 CGIDRO CC(C)Oc1ccccc1C[NH2+]CC1(CO)CCCC1 ZINC000160117096 372214954 /nfs/dbraw/zinc/21/49/54/372214954.db2.gz WAHUNHLZFIWICQ-UHFFFAOYSA-N 1 0 277.408 3.116 20 70 CGIDRO CC[C@@]1(C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000160133361 372216675 /nfs/dbraw/zinc/21/66/75/372216675.db2.gz DCHQENAWTSJNPV-WMZOPIPTSA-N 1 0 288.435 3.013 20 70 CGIDRO C[C@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000160153463 372218040 /nfs/dbraw/zinc/21/80/40/372218040.db2.gz KWMKWXOBHNWMSB-GXSJLCMTSA-N 1 0 291.288 3.359 20 70 CGIDRO CCc1ccc([C@@H](CC)[NH2+][C@H](CCO)CSC)cc1 ZINC000160258687 372231397 /nfs/dbraw/zinc/23/13/97/372231397.db2.gz GNGRHKIVAAAPLY-HZPDHXFCSA-N 1 0 281.465 3.404 20 70 CGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000160321753 372237113 /nfs/dbraw/zinc/23/71/13/372237113.db2.gz OSYREHNPGAIGSV-SJLPKXTDSA-N 1 0 287.403 3.069 20 70 CGIDRO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160340996 372239687 /nfs/dbraw/zinc/23/96/87/372239687.db2.gz IMMZDYXMSYKPQD-GOSISDBHSA-N 1 0 294.398 3.112 20 70 CGIDRO CC(C)[N@H+](CCc1nccs1)CCc1ccccn1 ZINC000159914420 372192649 /nfs/dbraw/zinc/19/26/49/372192649.db2.gz QIZAZCGQFKQLHF-UHFFFAOYSA-N 1 0 275.421 3.034 20 70 CGIDRO OC[C@@H]([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000160935610 372289139 /nfs/dbraw/zinc/28/91/39/372289139.db2.gz NSSSZNNBDOCDQE-OAHLLOKOSA-N 1 0 279.742 3.302 20 70 CGIDRO CC(C)(C)[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000160979368 372292604 /nfs/dbraw/zinc/29/26/04/372292604.db2.gz FQYCZVHVMQDYJU-CYBMUJFWSA-N 1 0 275.396 3.045 20 70 CGIDRO COC(=O)c1cc(C[NH2+][C@@H]2CCCc3sccc32)c[nH]1 ZINC000160982805 372293044 /nfs/dbraw/zinc/29/30/44/372293044.db2.gz YDQVOGKBJHTAQK-GFCCVEGCSA-N 1 0 290.388 3.030 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)C[C@H](c1ccccc1)C(C)C ZINC000160419824 372246431 /nfs/dbraw/zinc/24/64/31/372246431.db2.gz JDPFXPKDHOQLDI-INIZCTEOSA-N 1 0 290.451 3.450 20 70 CGIDRO CC(C)C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466541 372250379 /nfs/dbraw/zinc/25/03/79/372250379.db2.gz TZHUGHWLKYBVSG-PVAVHDDUSA-N 1 0 276.424 3.310 20 70 CGIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnccn1 ZINC000160486521 372252449 /nfs/dbraw/zinc/25/24/49/372252449.db2.gz BBNDWIYKPGFKDI-ZDUSSCGKSA-N 1 0 285.416 3.452 20 70 CGIDRO CCCn1cc(C[N@H+](C)Cc2ccccc2C)cn1 ZINC000160522626 372254231 /nfs/dbraw/zinc/25/42/31/372254231.db2.gz YRBOYIZVFFEQOC-UHFFFAOYSA-N 1 0 257.381 3.234 20 70 CGIDRO Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160569394 372259595 /nfs/dbraw/zinc/25/95/95/372259595.db2.gz VOALWFNMCUFDAN-OIISXLGYSA-N 1 0 261.409 3.067 20 70 CGIDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1C ZINC000160603243 372260940 /nfs/dbraw/zinc/26/09/40/372260940.db2.gz KLNOOCZOAQEJTA-MRXNPFEDSA-N 1 0 288.435 3.154 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000160604151 372261303 /nfs/dbraw/zinc/26/13/03/372261303.db2.gz TWFUEGLLNQATSB-OIISXLGYSA-N 1 0 291.460 3.158 20 70 CGIDRO CCSc1ccccc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160610192 372262149 /nfs/dbraw/zinc/26/21/49/372262149.db2.gz YABIAYASEDYSRJ-LLVKDONJSA-N 1 0 253.411 3.220 20 70 CGIDRO C[C@@H](N[C@H](C)c1cn(-c2ccccc2)nn1)c1ccoc1 ZINC000160755096 372272648 /nfs/dbraw/zinc/27/26/48/372272648.db2.gz SNVAPDMLFWNOJY-CHWSQXEVSA-N 1 0 282.347 3.272 20 70 CGIDRO C[N@@H+](Cc1ccc(Br)cc1)CC1=CCCOC1 ZINC000160802218 372278062 /nfs/dbraw/zinc/27/80/62/372278062.db2.gz VOZAYSGLQCVIDV-UHFFFAOYSA-N 1 0 296.208 3.228 20 70 CGIDRO COCc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000160854055 372282028 /nfs/dbraw/zinc/28/20/28/372282028.db2.gz KSVIDXFSXICJHY-UHFFFAOYSA-N 1 0 259.349 3.366 20 70 CGIDRO Cc1c(C[NH2+][C@@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000160870644 372283247 /nfs/dbraw/zinc/28/32/47/372283247.db2.gz FAHXRGCKQWWKIL-VIFPVBQESA-N 1 0 281.762 3.372 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(F)cc1C(F)(F)F ZINC000161236743 372311015 /nfs/dbraw/zinc/31/10/15/372311015.db2.gz DHKWBAQTSKIZNN-UHFFFAOYSA-N 1 0 279.277 3.049 20 70 CGIDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161343213 372317266 /nfs/dbraw/zinc/31/72/66/372317266.db2.gz ZUJRCQKRGOEDKR-HNAYVOBHSA-N 1 0 299.414 3.402 20 70 CGIDRO COc1ccccc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161471525 372327355 /nfs/dbraw/zinc/32/73/55/372327355.db2.gz ZVSFDMHWMXRMNP-HOCLYGCPSA-N 1 0 285.387 3.122 20 70 CGIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C1CC1)C1CCCC1 ZINC000216859622 376168531 /nfs/dbraw/zinc/16/85/31/376168531.db2.gz LVXQLQLYPLWLCS-RHSMWYFYSA-N 1 0 292.467 3.431 20 70 CGIDRO C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C1CC1 ZINC000217555976 376177806 /nfs/dbraw/zinc/17/78/06/376177806.db2.gz CYGIKOPXIDKUIM-ZDUSSCGKSA-N 1 0 258.409 3.136 20 70 CGIDRO CCCn1nccc1C[NH2+]Cc1ccccc1COCC ZINC000160092661 542152780 /nfs/dbraw/zinc/15/27/80/542152780.db2.gz IRCSXASDVKODAQ-UHFFFAOYSA-N 1 0 287.407 3.119 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000159991299 542151697 /nfs/dbraw/zinc/15/16/97/542151697.db2.gz BUWLAJVVIINWNJ-CQSZACIVSA-N 1 0 259.353 3.053 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1cccc(OC)c1 ZINC000160095033 542153114 /nfs/dbraw/zinc/15/31/14/542153114.db2.gz LLCHPDQNZCLMBH-CYBMUJFWSA-N 1 0 273.380 3.153 20 70 CGIDRO CCC(CC)(C[NH3+])NC(=O)c1cc2ccc(F)cc2s1 ZINC000161204594 542157756 /nfs/dbraw/zinc/15/77/56/542157756.db2.gz UVBZPCJWBWQYRB-UHFFFAOYSA-N 1 0 294.395 3.288 20 70 CGIDRO Cc1cc2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)oc2cc1C ZINC000161447607 542159102 /nfs/dbraw/zinc/15/91/02/542159102.db2.gz ZXNLHVKIXXBZPE-KBPBESRZSA-N 1 0 286.375 3.049 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCc2cc(F)ccc21 ZINC000160060110 392580750 /nfs/dbraw/zinc/58/07/50/392580750.db2.gz RFHPJYWLPZOFDA-MLGOLLRUSA-N 1 0 264.388 3.133 20 70 CGIDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)COC)cc1OC ZINC000159974935 165472102 /nfs/dbraw/zinc/47/21/02/165472102.db2.gz HZEZJPUVOLJNFB-JSGCOSHPSA-N 1 0 281.396 3.170 20 70 CGIDRO CC(C)[C@H](C[NH2+]CC1(O)CCCC1)c1ccccc1 ZINC000218211129 270085452 /nfs/dbraw/zinc/08/54/52/270085452.db2.gz TYTFCKNONHHHPE-INIZCTEOSA-N 1 0 261.409 3.321 20 70 CGIDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)ccc1F ZINC000218258926 270085542 /nfs/dbraw/zinc/08/55/42/270085542.db2.gz QZAVRCVNMRSIJK-SGMGOOAPSA-N 1 0 281.371 3.036 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000159889585 281396792 /nfs/dbraw/zinc/39/67/92/281396792.db2.gz KQJZQBORIWIDBY-IJEWVQPXSA-N 1 0 288.435 3.073 20 70 CGIDRO C[C@H](C1CC1)[N@H+](Cc1ccnn1C)Cc1ccccc1 ZINC000159681206 298260554 /nfs/dbraw/zinc/26/05/54/298260554.db2.gz BZJJJVFNBAPWNY-CQSZACIVSA-N 1 0 269.392 3.221 20 70 CGIDRO CC(C)C[C@H]([NH2+]CCO)c1cccc(C(F)(F)F)c1 ZINC000159684188 321838524 /nfs/dbraw/zinc/83/85/24/321838524.db2.gz NIFOUBYWFJGKJA-ZDUSSCGKSA-N 1 0 275.314 3.375 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCc1cnn(C)c1 ZINC000160059152 321845414 /nfs/dbraw/zinc/84/54/14/321845414.db2.gz RHRMAQNGOSONJI-LCYFTJDESA-N 1 0 289.810 3.309 20 70 CGIDRO CCCC1(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000160771791 321857379 /nfs/dbraw/zinc/85/73/79/321857379.db2.gz LDJFGOPLTVXLOI-INIZCTEOSA-N 1 0 286.419 3.176 20 70 CGIDRO CC(C)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160910906 519415981 /nfs/dbraw/zinc/41/59/81/519415981.db2.gz CCUAVJFZBRJABX-CQSZACIVSA-N 1 0 257.381 3.202 20 70 CGIDRO Fc1cc(Cl)ccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000160661034 534446096 /nfs/dbraw/zinc/44/60/96/534446096.db2.gz ADLMKQVLXXIRLT-UHFFFAOYSA-N 1 0 293.725 3.498 20 70 CGIDRO CCc1nnc(C[NH2+][C@H](CC)C(C)(C)c2ccccc2)[nH]1 ZINC000160625599 522355347 /nfs/dbraw/zinc/35/53/47/522355347.db2.gz YUCFMCCFPHYRLW-CQSZACIVSA-N 1 0 286.423 3.213 20 70 CGIDRO CC[C@@H](C)[C@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160763397 522359658 /nfs/dbraw/zinc/35/96/58/522359658.db2.gz NUOXPPWNMDAHAT-NEPJUHHUSA-N 1 0 253.390 3.150 20 70 CGIDRO C[C@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[C@H]1c1ccccc1 ZINC000161235040 524531031 /nfs/dbraw/zinc/53/10/31/524531031.db2.gz BRVHSNXLLHAUJA-XJKSGUPXSA-N 1 0 298.386 3.004 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]CCOCCOc2ccccc2)o1 ZINC000160750709 525920095 /nfs/dbraw/zinc/92/00/95/525920095.db2.gz AWMJRJBDDBBFDU-HNNXBMFYSA-N 1 0 289.375 3.334 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000160627269 526609248 /nfs/dbraw/zinc/60/92/48/526609248.db2.gz WQODGMMXMYSAQV-UHFFFAOYSA-N 1 0 269.392 3.491 20 70 CGIDRO CCN(CC)c1ncc(C[NH2+][C@H]2CCOC(C)(C)C2)s1 ZINC000160478783 528318452 /nfs/dbraw/zinc/31/84/52/528318452.db2.gz DMBKLQXZDUPMQE-LBPRGKRZSA-N 1 0 297.468 3.037 20 70 CGIDRO CCCC[C@H](CCC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159947749 528922149 /nfs/dbraw/zinc/92/21/49/528922149.db2.gz FIIUCRQFLVGGAG-HNNXBMFYSA-N 1 0 283.460 3.083 20 70 CGIDRO CCCc1sc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1CC ZINC000161145201 572337899 /nfs/dbraw/zinc/33/78/99/572337899.db2.gz KEXNEZSAUUMOTL-OLZOCXBDSA-N 1 0 294.464 3.263 20 70 CGIDRO CC[C@@H](C)[NH2+]Cc1c(F)cccc1Br ZINC000160260640 529374326 /nfs/dbraw/zinc/37/43/26/529374326.db2.gz WLVXJRABLYCDNW-MRVPVSSYSA-N 1 0 260.150 3.476 20 70 CGIDRO Cc1cc(OCC[NH+]2CCC(C)(O)CC2)ccc1C(C)C ZINC000161229192 232248939 /nfs/dbraw/zinc/24/89/39/232248939.db2.gz XONCGEFNQAWEQD-UHFFFAOYSA-N 1 0 291.435 3.344 20 70 CGIDRO CCSCc1cccc(NC(=O)CC[NH2+]C(C)C)c1 ZINC000161480505 346175621 /nfs/dbraw/zinc/17/56/21/346175621.db2.gz VFRGJTROTDJSME-UHFFFAOYSA-N 1 0 280.437 3.266 20 70 CGIDRO CCCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000217375210 346291063 /nfs/dbraw/zinc/29/10/63/346291063.db2.gz LHYKWRRUMUQMFU-HNNXBMFYSA-N 1 0 278.440 3.295 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)(C)C ZINC000160488504 188476784 /nfs/dbraw/zinc/47/67/84/188476784.db2.gz MNAWCJGPJZMSAO-OAHLLOKOSA-N 1 0 290.451 3.043 20 70 CGIDRO CC1CCC([N@H+](C)C[C@H](O)Cc2ccccc2)CC1 ZINC000218757774 376190298 /nfs/dbraw/zinc/19/02/98/376190298.db2.gz VFYCVQDXOZULII-BDVYOWHSSA-N 1 0 261.409 3.101 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)CCc1ccco1 ZINC000159374153 372136562 /nfs/dbraw/zinc/13/65/62/372136562.db2.gz UHSFBAKCIMRGQN-ZBFHGGJFSA-N 1 0 267.413 3.378 20 70 CGIDRO Cc1nccn1CCCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783480 372180104 /nfs/dbraw/zinc/18/01/04/372180104.db2.gz IXOPFFQXFLJLRZ-GOSISDBHSA-N 1 0 283.419 3.461 20 70 CGIDRO CCOc1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000159388877 372138040 /nfs/dbraw/zinc/13/80/40/372138040.db2.gz WKOUFPHJSPUCGF-GFCCVEGCSA-N 1 0 285.391 3.343 20 70 CGIDRO c1cnc2c(c1)cccc2C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159541030 372154312 /nfs/dbraw/zinc/15/43/12/372154312.db2.gz PBTNIFNJNDYMIP-SZMVWBNQSA-N 1 0 294.398 3.282 20 70 CGIDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[C@@H]1O ZINC000159662870 372165907 /nfs/dbraw/zinc/16/59/07/372165907.db2.gz MYXOBCSGNRSRLO-OCCSQVGLSA-N 1 0 287.325 3.298 20 70 CGIDRO C[C@@H](c1cccc(F)c1)[N@H+](C)CCOCC1CC1 ZINC000159768408 372178290 /nfs/dbraw/zinc/17/82/90/372178290.db2.gz NHYOPQNDOHSOLS-LBPRGKRZSA-N 1 0 251.345 3.245 20 70 CGIDRO OCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159783881 372179726 /nfs/dbraw/zinc/17/97/26/372179726.db2.gz AXHGNAOJIOLRPQ-UHFFFAOYSA-N 1 0 295.741 3.353 20 70 CGIDRO C[C@H]([NH2+]CC1(CO)CCCC1)c1ccc2c(c1)CCC2 ZINC000160091066 372212840 /nfs/dbraw/zinc/21/28/40/372212840.db2.gz WJLKIOHIXKZXJL-AWEZNQCLSA-N 1 0 273.420 3.379 20 70 CGIDRO CCCOc1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000160109624 372213926 /nfs/dbraw/zinc/21/39/26/372213926.db2.gz GRIHZHIDGKAQLN-UHFFFAOYSA-N 1 0 277.408 3.118 20 70 CGIDRO CCCCNC(=O)c1ccc(C[NH2+][C@@H](C)CC)cc1 ZINC000160113838 372214206 /nfs/dbraw/zinc/21/42/06/372214206.db2.gz ZHLPAMQSVIGOMR-ZDUSSCGKSA-N 1 0 262.397 3.105 20 70 CGIDRO CC1(C)CCC(CC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000160140473 372216160 /nfs/dbraw/zinc/21/61/60/372216160.db2.gz UCFBIFDYXKADPC-OAHLLOKOSA-N 1 0 292.467 3.193 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(s1)CCCC2 ZINC000160240468 372229523 /nfs/dbraw/zinc/22/95/23/372229523.db2.gz WIHWFTPNBXUXLD-AAEUAGOBSA-N 1 0 299.505 3.392 20 70 CGIDRO CC[C@@H](C[NH2+][C@H](C)C1CCOCC1)Oc1ccccc1F ZINC000160341354 372240019 /nfs/dbraw/zinc/24/00/19/372240019.db2.gz MKOUXRHNUAAZLC-HIFRSBDPSA-N 1 0 295.398 3.388 20 70 CGIDRO CCCCOCC[N@H+](CCc1nccs1)C(C)C ZINC000159807641 372183024 /nfs/dbraw/zinc/18/30/24/372183024.db2.gz KLJZBXQEMHXVSW-UHFFFAOYSA-N 1 0 270.442 3.213 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccccc2NC(C)=O)cc1 ZINC000159869792 372189620 /nfs/dbraw/zinc/18/96/20/372189620.db2.gz PLKZOQSGGCZDFK-UHFFFAOYSA-N 1 0 298.386 3.286 20 70 CGIDRO Cc1nc(C2CC[NH+](CCC3CCCC3)CC2)no1 ZINC000159993743 372201834 /nfs/dbraw/zinc/20/18/34/372201834.db2.gz YUYANLTUVWSQAY-UHFFFAOYSA-N 1 0 263.385 3.138 20 70 CGIDRO CN(C)c1ccncc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160993678 372292169 /nfs/dbraw/zinc/29/21/69/372292169.db2.gz MOIBMSTVEDDBGQ-CQSZACIVSA-N 1 0 287.432 3.376 20 70 CGIDRO CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C2CCOCC2)C1 ZINC000161026867 372296619 /nfs/dbraw/zinc/29/66/19/372296619.db2.gz LOMOWIFEAYZLBE-HOTGVXAUSA-N 1 0 296.499 3.292 20 70 CGIDRO COCC[N@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000160450021 372248384 /nfs/dbraw/zinc/24/83/84/372248384.db2.gz NVPNEVNARVQDPB-UHFFFAOYSA-N 1 0 271.360 3.041 20 70 CGIDRO c1ccc2oc(N3CCC[C@@H]3C[NH+]3CCCCC3)nc2c1 ZINC000160449446 372248433 /nfs/dbraw/zinc/24/84/33/372248433.db2.gz CYMPSCRCDGWSHC-CQSZACIVSA-N 1 0 285.391 3.283 20 70 CGIDRO CCC(CC)CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000160564407 372257978 /nfs/dbraw/zinc/25/79/78/372257978.db2.gz DJINOISOIGNFFX-INIZCTEOSA-N 1 0 295.471 3.083 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587534 372261468 /nfs/dbraw/zinc/26/14/68/372261468.db2.gz JIYAGYNTDVSSEU-OLZOCXBDSA-N 1 0 256.434 3.048 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000161084530 372301023 /nfs/dbraw/zinc/30/10/23/372301023.db2.gz SVIDDJHCLDPNRX-ROUUACIJSA-N 1 0 294.398 3.034 20 70 CGIDRO C[C@@H]1C[C@@H]([NH2+]CCOc2cccc3ccccc32)CCN1C ZINC000160811465 372276785 /nfs/dbraw/zinc/27/67/85/372276785.db2.gz HWCOVEHGGDJEHN-WBVHZDCISA-N 1 0 298.430 3.291 20 70 CGIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160817289 372278932 /nfs/dbraw/zinc/27/89/32/372278932.db2.gz DIMDMRUWEPYQRJ-HNNXBMFYSA-N 1 0 294.483 3.393 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000160823934 372280140 /nfs/dbraw/zinc/28/01/40/372280140.db2.gz HMWKDGHKWVPNGI-AWEZNQCLSA-N 1 0 287.407 3.450 20 70 CGIDRO COCCOc1ccccc1CN(C)Cc1ccc(C)o1 ZINC000160868212 372282825 /nfs/dbraw/zinc/28/28/25/372282825.db2.gz WBCYXDKANDXJLB-UHFFFAOYSA-N 1 0 289.375 3.245 20 70 CGIDRO C[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000160916652 372287438 /nfs/dbraw/zinc/28/74/38/372287438.db2.gz FIOHJXPGPGGIQJ-CABCVRRESA-N 1 0 295.471 3.081 20 70 CGIDRO CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000161371257 372319236 /nfs/dbraw/zinc/31/92/36/372319236.db2.gz CXMXSOYOHUOPMV-CJNGLKHVSA-N 1 0 277.383 3.262 20 70 CGIDRO Cc1ccc(NC(=O)[C@H](C)[NH3+])cc1OCC1CCCCC1 ZINC000161378893 372320222 /nfs/dbraw/zinc/32/02/22/372320222.db2.gz UOVKXZICMOYLKN-ZDUSSCGKSA-N 1 0 290.407 3.240 20 70 CGIDRO CC1(C)CC(NC(=O)C2(C)CCCCC2)CC(C)(C)[NH2+]1 ZINC000161287717 321865686 /nfs/dbraw/zinc/86/56/86/321865686.db2.gz ZDZIFWDRQITXMC-UHFFFAOYSA-N 1 0 280.456 3.382 20 70 CGIDRO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000217611067 376177439 /nfs/dbraw/zinc/17/74/39/376177439.db2.gz NYYGHBMGIISFCN-OLZOCXBDSA-N 1 0 261.365 3.094 20 70 CGIDRO c1ccc(C2CC([NH2+][C@H]3CCN4CCCC[C@@H]34)C2)cc1 ZINC000217690544 376179746 /nfs/dbraw/zinc/17/97/46/376179746.db2.gz SXXYVJRSMPFUPQ-FOIPXRHGSA-N 1 0 270.420 3.149 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc2cc[nH]c21 ZINC000218104883 376184881 /nfs/dbraw/zinc/18/48/81/376184881.db2.gz WEADTBLHMSYGLR-HNNXBMFYSA-N 1 0 280.375 3.069 20 70 CGIDRO CO[C@]1(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CCOC1 ZINC000160101941 392581814 /nfs/dbraw/zinc/58/18/14/392581814.db2.gz NWOBYKQKTQAEMM-AEFFLSMTSA-N 1 0 289.419 3.194 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000160279709 165476092 /nfs/dbraw/zinc/47/60/92/165476092.db2.gz VPOFZSNYURWSEA-PWSUYJOCSA-N 1 0 285.478 3.001 20 70 CGIDRO CCN1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000217876150 270085396 /nfs/dbraw/zinc/08/53/96/270085396.db2.gz HRRWYGIRLRYLBF-SJORKVTESA-N 1 0 260.425 3.458 20 70 CGIDRO COc1ccc(Cl)c(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000218052174 270085446 /nfs/dbraw/zinc/08/54/46/270085446.db2.gz DIUICAGOWFFMNE-MISXGVKJSA-N 1 0 282.815 3.489 20 70 CGIDRO Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC[C@H]2C)c1 ZINC000218442631 270085618 /nfs/dbraw/zinc/08/56/18/270085618.db2.gz QRPXNXQEEHYSOP-BRWVUGGUSA-N 1 0 291.435 3.151 20 70 CGIDRO CC1(C)Cc2cc(C[NH2+][C@H]3CCOC(C)(C)C3)ccc2O1 ZINC000160633107 275871587 /nfs/dbraw/zinc/87/15/87/275871587.db2.gz FDXWRKKZULRYNZ-HNNXBMFYSA-N 1 0 289.419 3.447 20 70 CGIDRO CCN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H](C)C(C)C ZINC000160901627 279003496 /nfs/dbraw/zinc/00/34/96/279003496.db2.gz DBUKXXIQKBQLMS-HUUCEWRRSA-N 1 0 295.471 3.079 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)NC1CCC(C)CC1 ZINC000218720541 279533921 /nfs/dbraw/zinc/53/39/21/279533921.db2.gz LDUUURGAHNAECK-ABSNHQIMSA-N 1 0 280.456 3.238 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000159433610 280060113 /nfs/dbraw/zinc/06/01/13/280060113.db2.gz YAOSTAGEFVCFLH-IHRRRGAJSA-N 1 0 259.459 3.311 20 70 CGIDRO Cc1ccc2c(c1)N(C(=O)c1ccc(C[NH3+])cc1)CCC2 ZINC000159748598 281076616 /nfs/dbraw/zinc/07/66/16/281076616.db2.gz QQQBIXDJFIIDKQ-UHFFFAOYSA-N 1 0 280.371 3.047 20 70 CGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000159432713 321834657 /nfs/dbraw/zinc/83/46/57/321834657.db2.gz DJGCZHSQJJKVPK-DYVFJYSZSA-N 1 0 293.407 3.253 20 70 CGIDRO CC[C@H](COC)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161166491 321863116 /nfs/dbraw/zinc/86/31/16/321863116.db2.gz SMUVJZYCJVCBFD-GFCCVEGCSA-N 1 0 291.313 3.142 20 70 CGIDRO Cc1ccccc1C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161493201 321868158 /nfs/dbraw/zinc/86/81/58/321868158.db2.gz OHDZUEQXDKUUPZ-AWEZNQCLSA-N 1 0 287.325 3.130 20 70 CGIDRO Cc1ccc(CN(C)CCC[NH+]2CCCCC2)s1 ZINC000160880365 533872273 /nfs/dbraw/zinc/87/22/73/533872273.db2.gz QIKZIDDETTZGDP-UHFFFAOYSA-N 1 0 266.454 3.364 20 70 CGIDRO CC(C)(O)C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000160623834 519362142 /nfs/dbraw/zinc/36/21/42/519362142.db2.gz JPGVPHBLNPHSGQ-CQSZACIVSA-N 1 0 267.800 3.468 20 70 CGIDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCc1nc(C(C)C)no1 ZINC000160763159 522296030 /nfs/dbraw/zinc/29/60/30/522296030.db2.gz NUOXPPWNMDAHAT-VXGBXAGGSA-N 1 0 253.390 3.150 20 70 CGIDRO COC(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)OC ZINC000160619009 522533899 /nfs/dbraw/zinc/53/38/99/522533899.db2.gz KZILWRQRDLSFGI-CYBMUJFWSA-N 1 0 269.772 3.096 20 70 CGIDRO CC[C@@H](COC)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160808534 522591328 /nfs/dbraw/zinc/59/13/28/522591328.db2.gz WJXKHRNNYYLRPM-ZDUSSCGKSA-N 1 0 298.814 3.073 20 70 CGIDRO CCc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141381 524027044 /nfs/dbraw/zinc/02/70/44/524027044.db2.gz VOKWHUBYCHUZIT-MCIONIFRSA-N 1 0 264.413 3.365 20 70 CGIDRO C[C@H]1CCC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160635045 524126854 /nfs/dbraw/zinc/12/68/54/524126854.db2.gz JVNILEALBWWLID-YESZJQIVSA-N 1 0 294.483 3.441 20 70 CGIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000161212764 524441354 /nfs/dbraw/zinc/44/13/54/524441354.db2.gz RPSIEGSTCSOSFN-ARFHVFGLSA-N 1 0 280.456 3.051 20 70 CGIDRO Cc1ccccc1C[N@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000160526448 525129044 /nfs/dbraw/zinc/12/90/44/525129044.db2.gz SGTKPBWPOODRFY-UHFFFAOYSA-N 1 0 292.386 3.412 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000159624124 525359728 /nfs/dbraw/zinc/35/97/28/525359728.db2.gz RDGATUGYZXVSLU-OAHLLOKOSA-N 1 0 288.435 3.294 20 70 CGIDRO Cn1c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nnc1-c1ccccc1 ZINC000160889748 527056960 /nfs/dbraw/zinc/05/69/60/527056960.db2.gz IYKRZYVBLJBCGK-HOCLYGCPSA-N 1 0 296.418 3.247 20 70 CGIDRO [NH3+]C1(CNC(=O)c2csc3ccccc23)CCCCC1 ZINC000159608014 527133278 /nfs/dbraw/zinc/13/32/78/527133278.db2.gz MJHDTBHWZRBZCV-UHFFFAOYSA-N 1 0 288.416 3.293 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000161269452 527651437 /nfs/dbraw/zinc/65/14/37/527651437.db2.gz QRWVKLUXSQTXCL-HOTGVXAUSA-N 1 0 280.456 3.179 20 70 CGIDRO CC(C)c1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cn1 ZINC000161097316 528069079 /nfs/dbraw/zinc/06/90/79/528069079.db2.gz NXFQGVRRFJJHLT-UHFFFAOYSA-N 1 0 291.439 3.054 20 70 CGIDRO Cc1c2cccc(C)c2oc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161063208 572337917 /nfs/dbraw/zinc/33/79/17/572337917.db2.gz MSWIBFBJDRVHHY-QWHCGFSZSA-N 1 0 286.375 3.049 20 70 CGIDRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccc2c(c1)OCCO2 ZINC000159556776 346167772 /nfs/dbraw/zinc/16/77/72/346167772.db2.gz YGBSUAIOLFGNOK-KBPBESRZSA-N 1 0 293.432 3.394 20 70 CGIDRO C(CN1CCC[N@H+](CC2CCCCC2)CC1)OCC1CC1 ZINC000159471831 346167888 /nfs/dbraw/zinc/16/78/88/346167888.db2.gz AHRNPFCTWKMBMH-UHFFFAOYSA-N 1 0 294.483 3.001 20 70 CGIDRO Fc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616485 188434713 /nfs/dbraw/zinc/43/47/13/188434713.db2.gz GZVXXRXIBPUTRW-QEJZJMRPSA-N 1 0 279.330 3.012 20 70 CGIDRO CC(C)[NH+](CCS[C@@H](C(N)=O)c1ccccc1)C(C)C ZINC000161071317 188506406 /nfs/dbraw/zinc/50/64/06/188506406.db2.gz ZMNKSLAVPKZTTH-OAHLLOKOSA-N 1 0 294.464 3.065 20 70 CGIDRO C[C@H](Cc1ccccc1F)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161343700 188522340 /nfs/dbraw/zinc/52/23/40/188522340.db2.gz URGIDLPXHJBQPZ-CYBMUJFWSA-N 1 0 293.382 3.032 20 70 CGIDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H](OC)C2(C)C)ccc1F ZINC000218266902 138493437 /nfs/dbraw/zinc/49/34/37/138493437.db2.gz BWMHXVXQXWABQY-COLVAYQJSA-N 1 0 281.371 3.298 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1 ZINC000159389342 372137993 /nfs/dbraw/zinc/13/79/93/372137993.db2.gz PLOSILGSXVRRFR-RFQIPJPRSA-N 1 0 257.443 3.065 20 70 CGIDRO Cc1cc(C)cc(CC[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000159479691 372147840 /nfs/dbraw/zinc/14/78/40/372147840.db2.gz ACIZLEJAPWFBEA-UHFFFAOYSA-N 1 0 296.405 3.165 20 70 CGIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506203 372151197 /nfs/dbraw/zinc/15/11/97/372151197.db2.gz RZCUJCREVFGCRX-UKRRQHHQSA-N 1 0 298.386 3.032 20 70 CGIDRO C[C@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1 ZINC000159553952 372156250 /nfs/dbraw/zinc/15/62/50/372156250.db2.gz SBJZZYHILOCSIO-HNNXBMFYSA-N 1 0 274.408 3.130 20 70 CGIDRO CCc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159599291 372159743 /nfs/dbraw/zinc/15/97/43/372159743.db2.gz VRBGDFGOPRVHPM-ZACQAIPSSA-N 1 0 271.404 3.296 20 70 CGIDRO CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159611477 372160733 /nfs/dbraw/zinc/16/07/33/372160733.db2.gz BWJLUZPRLIQKFT-AWEZNQCLSA-N 1 0 282.472 3.249 20 70 CGIDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159623287 372162521 /nfs/dbraw/zinc/16/25/21/372162521.db2.gz GQVJJKYAFWSDKV-IHRRRGAJSA-N 1 0 263.406 3.104 20 70 CGIDRO C[C@H](C1CC1)N(Cc1csnn1)Cc1ccccc1 ZINC000159682387 372168154 /nfs/dbraw/zinc/16/81/54/372168154.db2.gz JQJKLVVBMZQMRR-GFCCVEGCSA-N 1 0 273.405 3.339 20 70 CGIDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000159687452 372168493 /nfs/dbraw/zinc/16/84/93/372168493.db2.gz UYCSPBKSJZDODX-CYBMUJFWSA-N 1 0 271.360 3.005 20 70 CGIDRO Cc1ccc(-n2ccnc2SCCn2ccnc2)c(C)c1 ZINC000159693741 372170588 /nfs/dbraw/zinc/17/05/88/372170588.db2.gz IRTLVJRCYDNFQY-UHFFFAOYSA-N 1 0 298.415 3.478 20 70 CGIDRO CC[C@H]([NH2+]CCC(C)(C)O)c1nc(C(F)(F)F)cs1 ZINC000159741699 372175612 /nfs/dbraw/zinc/17/56/12/372175612.db2.gz ALBGKCCOPSRQTK-QMMMGPOBSA-N 1 0 296.358 3.364 20 70 CGIDRO CN(Cc1ccc(Cl)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159765214 372178315 /nfs/dbraw/zinc/17/83/15/372178315.db2.gz QMQRBXKWSLPQLV-HNNXBMFYSA-N 1 0 289.810 3.057 20 70 CGIDRO Cc1ccc(C[N@@H+]2CCCc3ccccc3C2)nc1 ZINC000160069246 372209086 /nfs/dbraw/zinc/20/90/86/372209086.db2.gz KRDFSFONMZEJNG-UHFFFAOYSA-N 1 0 252.361 3.338 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+]CC1(CO)CCCC1)CCC2 ZINC000160084669 372210148 /nfs/dbraw/zinc/21/01/48/372210148.db2.gz OINYSOYWXPBXCZ-QGZVFWFLSA-N 1 0 289.419 3.215 20 70 CGIDRO CC[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000160110906 372214995 /nfs/dbraw/zinc/21/49/95/372214995.db2.gz LUAXXWBHRJLASZ-CQSZACIVSA-N 1 0 280.456 3.003 20 70 CGIDRO CCc1ccc([C@H](CC)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160258552 372232016 /nfs/dbraw/zinc/23/20/16/372232016.db2.gz GNGRHKIVAAAPLY-HOTGVXAUSA-N 1 0 281.465 3.404 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCn2ccnc2)C1 ZINC000159838944 372185270 /nfs/dbraw/zinc/18/52/70/372185270.db2.gz HHKRLIPLENNQRG-HZPDHXFCSA-N 1 0 269.392 3.070 20 70 CGIDRO Cc1cccc([C@H](C)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000159897664 372193108 /nfs/dbraw/zinc/19/31/08/372193108.db2.gz VZYBKLUUKLDWSF-HOTGVXAUSA-N 1 0 288.435 3.089 20 70 CGIDRO CCC[C@@H](CCc1ccccc1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000160938582 372288944 /nfs/dbraw/zinc/28/89/44/372288944.db2.gz IDAMUDZHLPROPH-IRXDYDNUSA-N 1 0 288.435 3.046 20 70 CGIDRO CC(C)n1cccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160923003 372288963 /nfs/dbraw/zinc/28/89/63/372288963.db2.gz JLOOFEZIBVNLDJ-KRWDZBQOSA-N 1 0 299.418 3.102 20 70 CGIDRO CC(C)n1cccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160923126 372289502 /nfs/dbraw/zinc/28/95/02/372289502.db2.gz JLOOFEZIBVNLDJ-QGZVFWFLSA-N 1 0 299.418 3.102 20 70 CGIDRO C[C@@H](CCc1ccco1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161009461 372294456 /nfs/dbraw/zinc/29/44/56/372294456.db2.gz IAPUNRRYCQLFQT-WMLDXEAASA-N 1 0 273.376 3.314 20 70 CGIDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cncs1 ZINC000160400326 372243578 /nfs/dbraw/zinc/24/35/78/372243578.db2.gz DFBNFTWJTUHQSE-TZMCWYRMSA-N 1 0 281.469 3.304 20 70 CGIDRO C[C@H](NC[C@@H](C1CCCCC1)[NH+](C)C)c1ccco1 ZINC000160415560 372245742 /nfs/dbraw/zinc/24/57/42/372245742.db2.gz KDDYVOPJAXXMKB-ZFWWWQNUSA-N 1 0 264.413 3.441 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000161084286 372300745 /nfs/dbraw/zinc/30/07/45/372300745.db2.gz SVIDDJHCLDPNRX-MSOLQXFVSA-N 1 0 294.398 3.034 20 70 CGIDRO CCSCC[NH2+]C(C)(C)c1ccccc1OC ZINC000160550603 372257921 /nfs/dbraw/zinc/25/79/21/372257921.db2.gz CBIBRTLXSGFYOI-UHFFFAOYSA-N 1 0 253.411 3.273 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000160636428 372264478 /nfs/dbraw/zinc/26/44/78/372264478.db2.gz USLXPFHTXZVAJZ-KRWDZBQOSA-N 1 0 288.435 3.351 20 70 CGIDRO CCCC[C@H](NC(=O)c1ccc(C[NH3+])cc1)C1CCC1 ZINC000160780173 372274937 /nfs/dbraw/zinc/27/49/37/372274937.db2.gz WQZMECHSXKMQQQ-INIZCTEOSA-N 1 0 274.408 3.234 20 70 CGIDRO Fc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000160854724 372281378 /nfs/dbraw/zinc/28/13/78/372281378.db2.gz ARXZNLDXHZWMDA-LSDHHAIUSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1ccc([C@H](C)N(C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870963 372283054 /nfs/dbraw/zinc/28/30/54/372283054.db2.gz BQIITGYLEMCLOJ-HNNXBMFYSA-N 1 0 297.464 3.201 20 70 CGIDRO C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000160892009 372284938 /nfs/dbraw/zinc/28/49/38/372284938.db2.gz DOSNZMNVYZZPQH-KBPBESRZSA-N 1 0 282.387 3.067 20 70 CGIDRO C[C@H](c1ccco1)N(C)CCC[NH+]1CCCCC1 ZINC000161299517 372315570 /nfs/dbraw/zinc/31/55/70/372315570.db2.gz WQHFHYROCGHYGM-CQSZACIVSA-N 1 0 250.386 3.148 20 70 CGIDRO CC[C@@H](C(=O)Nc1ccc(Oc2ccccc2)nc1)[NH+](C)C ZINC000161333354 372317868 /nfs/dbraw/zinc/31/78/68/372317868.db2.gz DMVMPWUSUMGRMA-HNNXBMFYSA-N 1 0 299.374 3.153 20 70 CGIDRO CCCCN(C(=O)C1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000161355159 372318032 /nfs/dbraw/zinc/31/80/32/372318032.db2.gz BKSMJMLDVFIYIK-OAHLLOKOSA-N 1 0 288.435 3.376 20 70 CGIDRO CN1CCC([NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161422990 372324129 /nfs/dbraw/zinc/32/41/29/372324129.db2.gz ZNBPCWHSTUKEQM-OAHLLOKOSA-N 1 0 294.826 3.238 20 70 CGIDRO O=C(CC1CC[NH2+]CC1)N(CC1CCC1)c1ccccc1 ZINC000161438106 372326051 /nfs/dbraw/zinc/32/60/51/372326051.db2.gz SCPFDIIVSZIURQ-UHFFFAOYSA-N 1 0 286.419 3.209 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cccc2cccnc21 ZINC000217395724 376172669 /nfs/dbraw/zinc/17/26/69/376172669.db2.gz XUYRRUXOEZLFJZ-CQSZACIVSA-N 1 0 271.408 3.055 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@@H](C)[NH3+])C1CCC(C)CC1 ZINC000159685957 542150928 /nfs/dbraw/zinc/15/09/28/542150928.db2.gz QGYNQURWIBDXHI-LXDKRTHCSA-N 1 0 288.435 3.326 20 70 CGIDRO CCCn1nccc1C[NH2+]CC(C)(C)c1cccs1 ZINC000160180033 542152462 /nfs/dbraw/zinc/15/24/62/542152462.db2.gz CUVGIORQPRGHIQ-UHFFFAOYSA-N 1 0 277.437 3.422 20 70 CGIDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c(C)s1 ZINC000160442553 542153718 /nfs/dbraw/zinc/15/37/18/542153718.db2.gz CQFKGCNVESBXDD-CQSZACIVSA-N 1 0 294.464 3.215 20 70 CGIDRO CSc1ccc(C[N@H+](C)Cc2c[nH]nc2C)cc1 ZINC000160918220 542155688 /nfs/dbraw/zinc/15/56/88/542155688.db2.gz HDCCGIGPZSVHBB-UHFFFAOYSA-N 1 0 261.394 3.072 20 70 CGIDRO CSCCC[N@H+](CCc1nccs1)C(C)C ZINC000159742988 533564961 /nfs/dbraw/zinc/56/49/61/533564961.db2.gz BQTVVWHHENVKFR-UHFFFAOYSA-N 1 0 258.456 3.149 20 70 CGIDRO c1cc2cccc(C[NH2+]CCCOCC3CC3)c2[nH]1 ZINC000218080324 130765820 /nfs/dbraw/zinc/76/58/20/130765820.db2.gz GGDWMNROTUVXDJ-UHFFFAOYSA-N 1 0 258.365 3.074 20 70 CGIDRO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000217224151 392994646 /nfs/dbraw/zinc/99/46/46/392994646.db2.gz IBQHFBGAJMTLGH-AWEZNQCLSA-N 1 0 268.445 3.001 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CCCC2)C12CCCC2 ZINC000160675913 286279061 /nfs/dbraw/zinc/27/90/61/286279061.db2.gz HQVGSEHWRQUIER-HZPDHXFCSA-N 1 0 294.483 3.188 20 70 CGIDRO CCC(CC)[C@H](O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217804355 270085476 /nfs/dbraw/zinc/08/54/76/270085476.db2.gz WPAFGOFSVSNEIP-MRXNPFEDSA-N 1 0 291.435 3.287 20 70 CGIDRO O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000218775070 270085530 /nfs/dbraw/zinc/08/55/30/270085530.db2.gz GJUHIQSCYZDPEW-UXHICEINSA-N 1 0 295.426 3.297 20 70 CGIDRO CCC[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000161279690 276039106 /nfs/dbraw/zinc/03/91/06/276039106.db2.gz LFKKIQLLMQCBNK-TZMCWYRMSA-N 1 0 288.391 3.340 20 70 CGIDRO CCC(CC)CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160549613 276210086 /nfs/dbraw/zinc/21/00/86/276210086.db2.gz PVHJGJCTBSASDG-MRXNPFEDSA-N 1 0 295.471 3.083 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160464183 321852263 /nfs/dbraw/zinc/85/22/63/321852263.db2.gz RALDWDOTXLBUNP-SQNIBIBYSA-N 1 0 273.420 3.148 20 70 CGIDRO CC(C)(O)C[NH2+][C@H]1CCC[C@@H]1CCc1ccccc1 ZINC000160652388 321855613 /nfs/dbraw/zinc/85/56/13/321855613.db2.gz CIKQNZHMZQZUCZ-CVEARBPZSA-N 1 0 261.409 3.148 20 70 CGIDRO COc1ccc(COCCC[NH2+][C@@H](C)C(C)C)cc1 ZINC000161070935 524113589 /nfs/dbraw/zinc/11/35/89/524113589.db2.gz DKLFGDOWGXLPSC-AWEZNQCLSA-N 1 0 265.397 3.236 20 70 CGIDRO C[C@@H]1CCC[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000160634904 524266874 /nfs/dbraw/zinc/26/68/74/524266874.db2.gz JVNILEALBWWLID-IXDOHACOSA-N 1 0 294.483 3.441 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000160406271 525642071 /nfs/dbraw/zinc/64/20/71/525642071.db2.gz OXUFSHUUFPSHBI-HUUCEWRRSA-N 1 0 281.465 3.376 20 70 CGIDRO CC(C)CCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1 ZINC000161131912 527776633 /nfs/dbraw/zinc/77/66/33/527776633.db2.gz KRTFZLMENOLRKQ-AWEZNQCLSA-N 1 0 279.424 3.361 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)c2sccc2C(C)C)CC1 ZINC000161030338 528290121 /nfs/dbraw/zinc/29/01/21/528290121.db2.gz VUIFYGYRBPPYGU-UHFFFAOYSA-N 1 0 294.464 3.333 20 70 CGIDRO CCSCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000160377831 529180097 /nfs/dbraw/zinc/18/00/97/529180097.db2.gz QZEKUSKSJRZKPB-ZFWWWQNUSA-N 1 0 265.422 3.202 20 70 CGIDRO C[NH+](C)[C@H]1CCC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000161092030 282258460 /nfs/dbraw/zinc/25/84/60/282258460.db2.gz LEKPSWFVYIVIEN-HLLBOEOZSA-N 1 0 288.435 3.363 20 70 CGIDRO CN(C)[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000159599362 232242184 /nfs/dbraw/zinc/24/21/84/232242184.db2.gz YADZHQWMZISGHS-KRWDZBQOSA-N 1 0 290.357 3.357 20 70 CGIDRO C[C@H]1CCC[C@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000218135341 346292714 /nfs/dbraw/zinc/29/27/14/346292714.db2.gz BMJNUCDHDYHWKO-KBPBESRZSA-N 1 0 271.408 3.489 20 70 CGIDRO Cc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159476851 188427523 /nfs/dbraw/zinc/42/75/23/188427523.db2.gz RKYRNDDVDVYYLP-PMPSAXMXSA-N 1 0 257.377 3.042 20 70 CGIDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1cncc(F)c1 ZINC000160412715 188470975 /nfs/dbraw/zinc/47/09/75/188470975.db2.gz IHODBVOJARANFT-SUMWQHHRSA-N 1 0 293.430 3.382 20 70 CGIDRO C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000161230525 188516775 /nfs/dbraw/zinc/51/67/75/188516775.db2.gz JZRLBZQNGZUOBV-JSGCOSHPSA-N 1 0 262.397 3.017 20 70 CGIDRO Fc1cccc(C[N@H+](CCOCC2CC2)C2CC2)c1 ZINC000159400397 372138806 /nfs/dbraw/zinc/13/88/06/372138806.db2.gz RMFLHMGNEMBJCM-UHFFFAOYSA-N 1 0 263.356 3.217 20 70 CGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000159407941 372141244 /nfs/dbraw/zinc/14/12/44/372141244.db2.gz PWVKXXAVUWFKHC-UBHSHLNASA-N 1 0 267.442 3.135 20 70 CGIDRO CC[N@H+](CCOc1ccccc1)CCc1nccs1 ZINC000159431207 372142942 /nfs/dbraw/zinc/14/29/42/372142942.db2.gz PDCPWUDBPAKISL-UHFFFAOYSA-N 1 0 276.405 3.087 20 70 CGIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000159429304 372142994 /nfs/dbraw/zinc/14/29/94/372142994.db2.gz UEGOPLZXMGZRKD-INIZCTEOSA-N 1 0 299.418 3.231 20 70 CGIDRO C(=C/c1ccccc1)\C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159481200 372147230 /nfs/dbraw/zinc/14/72/30/372147230.db2.gz MLQNMOQZDIYCDP-AKIIIIIDSA-N 1 0 269.388 3.247 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cccnc2)n1 ZINC000159791587 372181282 /nfs/dbraw/zinc/18/12/82/372181282.db2.gz KCTAHZVAXFHAQA-MRXNPFEDSA-N 1 0 253.349 3.122 20 70 CGIDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1 ZINC000159555353 372156190 /nfs/dbraw/zinc/15/61/90/372156190.db2.gz XZZDYNYAHSJPIO-ZFWWWQNUSA-N 1 0 295.448 3.258 20 70 CGIDRO Fc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616623 372161504 /nfs/dbraw/zinc/16/15/04/372161504.db2.gz GZVXXRXIBPUTRW-YUELXQCFSA-N 1 0 279.330 3.012 20 70 CGIDRO CN(C)c1ccc(C[NH2+]CCc2cccc(Cl)c2)cn1 ZINC000159605127 372161832 /nfs/dbraw/zinc/16/18/32/372161832.db2.gz FFBVUDKZASOJJR-UHFFFAOYSA-N 1 0 289.810 3.133 20 70 CGIDRO [NH3+]C1(C(=O)N[C@H]2CCC[C@@H]2c2ccccc2)CCCCC1 ZINC000159723688 372174481 /nfs/dbraw/zinc/17/44/81/372174481.db2.gz MYLYGCXPLDNEJD-CVEARBPZSA-N 1 0 286.419 3.101 20 70 CGIDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159748061 372176554 /nfs/dbraw/zinc/17/65/54/372176554.db2.gz PZOGHTHCRAQRED-LBPRGKRZSA-N 1 0 296.484 3.004 20 70 CGIDRO Clc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159774120 372177560 /nfs/dbraw/zinc/17/75/60/372177560.db2.gz YFVDANGYSNKYQN-HNNXBMFYSA-N 1 0 289.810 3.244 20 70 CGIDRO CCOC(=O)CCCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160064465 372207962 /nfs/dbraw/zinc/20/79/62/372207962.db2.gz MSACRAGSMSXECY-INIZCTEOSA-N 1 0 290.407 3.260 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1NC(C)=O ZINC000160136170 372216051 /nfs/dbraw/zinc/21/60/51/372216051.db2.gz VYYBZBJYMLNHEC-MNOVXSKESA-N 1 0 276.380 3.103 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1)C1CC1 ZINC000160137167 372216257 /nfs/dbraw/zinc/21/62/57/372216257.db2.gz QIVCIKOLBWHXHU-KGLIPLIRSA-N 1 0 269.392 3.381 20 70 CGIDRO CCC[C@@H]([NH2+][C@H](CCO)CSC)c1ccccc1 ZINC000160148613 372218977 /nfs/dbraw/zinc/21/89/77/372218977.db2.gz RYUSPLYNNVEROO-HUUCEWRRSA-N 1 0 267.438 3.231 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000160279857 372233445 /nfs/dbraw/zinc/23/34/45/372233445.db2.gz VPOFZSNYURWSEA-CMPLNLGQSA-N 1 0 285.478 3.001 20 70 CGIDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)c1 ZINC000160325024 372237368 /nfs/dbraw/zinc/23/73/68/372237368.db2.gz JDAFLXKXSUYLKJ-DOMZBBRYSA-N 1 0 263.381 3.303 20 70 CGIDRO Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2CC(C)C)no1 ZINC000160331213 372239129 /nfs/dbraw/zinc/23/91/29/372239129.db2.gz GWNSUPBOMWGPGV-AWEZNQCLSA-N 1 0 293.411 3.212 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000159812829 372183377 /nfs/dbraw/zinc/18/33/77/372183377.db2.gz QDXNAGMVTXFLGW-MRXNPFEDSA-N 1 0 277.408 3.129 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCn2ccnc2)C1 ZINC000159838811 372184716 /nfs/dbraw/zinc/18/47/16/372184716.db2.gz HHKRLIPLENNQRG-HOTGVXAUSA-N 1 0 269.392 3.070 20 70 CGIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccnc1Cl ZINC000159958062 372198474 /nfs/dbraw/zinc/19/84/74/372198474.db2.gz YXWJXRMXHHIWQS-QMTHXVAHSA-N 1 0 296.823 3.355 20 70 CGIDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000160014112 372204987 /nfs/dbraw/zinc/20/49/87/372204987.db2.gz JHEIASYAXTUVBF-LRDDRELGSA-N 1 0 293.407 3.316 20 70 CGIDRO C[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1(C)CC1 ZINC000160026385 372205201 /nfs/dbraw/zinc/20/52/01/372205201.db2.gz YDDHBXVSNNGOOJ-LBPRGKRZSA-N 1 0 292.389 3.429 20 70 CGIDRO Cc1cc2cc([C@H](C)[NH2+]CC(=O)NC(C)C)oc2cc1C ZINC000160923672 372289006 /nfs/dbraw/zinc/28/90/06/372289006.db2.gz ADPTWPNCMDMXAS-ZDUSSCGKSA-N 1 0 288.391 3.225 20 70 CGIDRO CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCc3ccccc32)[C@H](C)C1 ZINC000160968042 372291369 /nfs/dbraw/zinc/29/13/69/372291369.db2.gz PNQCOINVQSHCMY-HFTRVMKXSA-N 1 0 272.436 3.036 20 70 CGIDRO COc1ccccc1C[N@H+](C)Cc1cccc2c[nH]nc21 ZINC000160417633 372245294 /nfs/dbraw/zinc/24/52/94/372245294.db2.gz DEXYIOSVVDWGNU-UHFFFAOYSA-N 1 0 281.359 3.204 20 70 CGIDRO Cc1cccc(C)c1C[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000160415831 372246063 /nfs/dbraw/zinc/24/60/63/372246063.db2.gz RFDOVUAGMIMATK-AWEZNQCLSA-N 1 0 280.375 3.197 20 70 CGIDRO C[C@@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccco1 ZINC000160415905 372246327 /nfs/dbraw/zinc/24/63/27/372246327.db2.gz KDDYVOPJAXXMKB-UKRRQHHQSA-N 1 0 264.413 3.441 20 70 CGIDRO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160421902 372246392 /nfs/dbraw/zinc/24/63/92/372246392.db2.gz HLWCDFBZXVHGLH-SUMWQHHRSA-N 1 0 298.434 3.205 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2ccc3ncccc3c2)CCO1 ZINC000160444058 372247105 /nfs/dbraw/zinc/24/71/05/372247105.db2.gz HBJCHMSBGUSAFD-HNNXBMFYSA-N 1 0 270.376 3.282 20 70 CGIDRO CC(C)C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccn1 ZINC000160466404 372249650 /nfs/dbraw/zinc/24/96/50/372249650.db2.gz TZHUGHWLKYBVSG-UAGQMJEPSA-N 1 0 276.424 3.310 20 70 CGIDRO CC1(C)Cc2cccc(C[NH2+][C@@H]3CCOC(C)(C)C3)c2O1 ZINC000160500656 372251501 /nfs/dbraw/zinc/25/15/01/372251501.db2.gz CCBRFXVYAFUQIH-OAHLLOKOSA-N 1 0 289.419 3.447 20 70 CGIDRO C[C@H]([NH2+]CC1(Sc2ccccc2)CC1)[C@H]1CCOC1 ZINC000160479599 372252039 /nfs/dbraw/zinc/25/20/39/372252039.db2.gz CZGAEOFOKMGWSO-KBPBESRZSA-N 1 0 277.433 3.326 20 70 CGIDRO CCOc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000160552632 372257522 /nfs/dbraw/zinc/25/75/22/372257522.db2.gz QFMILKFTYVLCJB-CQSZACIVSA-N 1 0 293.407 3.141 20 70 CGIDRO CCC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1CCCCC1 ZINC000160581913 372259567 /nfs/dbraw/zinc/25/95/67/372259567.db2.gz BTPVGIKLYFWDQG-GFCCVEGCSA-N 1 0 294.361 3.004 20 70 CGIDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000161083369 372300981 /nfs/dbraw/zinc/30/09/81/372300981.db2.gz OJMOYLYMCUMURU-KRWDZBQOSA-N 1 0 294.398 3.459 20 70 CGIDRO CC[C@@H]([NH2+]CCC(=O)OC(C)C)c1ccc(F)cc1F ZINC000160693395 372268305 /nfs/dbraw/zinc/26/83/05/372268305.db2.gz KZQORHVPJPKGTH-CQSZACIVSA-N 1 0 285.334 3.347 20 70 CGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000160772087 372275062 /nfs/dbraw/zinc/27/50/62/372275062.db2.gz LAPZIIWLZBZDOU-HOTGVXAUSA-N 1 0 290.451 3.163 20 70 CGIDRO CC(C)[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000160830642 372279416 /nfs/dbraw/zinc/27/94/16/372279416.db2.gz YSVKFKOYRANXON-IUODEOHRSA-N 1 0 294.826 3.153 20 70 CGIDRO Cc1c(C[NH2+][C@H](C)c2ccc(F)c(Cl)c2)cnn1C ZINC000160870779 372284192 /nfs/dbraw/zinc/28/41/92/372284192.db2.gz FAHXRGCKQWWKIL-SECBINFHSA-N 1 0 281.762 3.372 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(COC(C)C)cc1 ZINC000161189861 372309508 /nfs/dbraw/zinc/30/95/08/372309508.db2.gz CZBBXCFARNUGLN-UHFFFAOYSA-N 1 0 292.423 3.315 20 70 CGIDRO CCC[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000161279442 372314824 /nfs/dbraw/zinc/31/48/24/372314824.db2.gz LFKKIQLLMQCBNK-GXTWGEPZSA-N 1 0 288.391 3.340 20 70 CGIDRO CC[C@](C)(O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000161304397 372316583 /nfs/dbraw/zinc/31/65/83/372316583.db2.gz GEDXKELJIXLUSN-HOCLYGCPSA-N 1 0 279.449 3.262 20 70 CGIDRO Cc1ccc(C[NH2+]C2CCN(c3ccccc3)CC2)cn1 ZINC000161298145 372316664 /nfs/dbraw/zinc/31/66/64/372316664.db2.gz ZKQISMKADNHIIL-UHFFFAOYSA-N 1 0 281.403 3.149 20 70 CGIDRO CCOC[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000161378392 372320085 /nfs/dbraw/zinc/32/00/85/372320085.db2.gz AAJPCVMATXGNCY-NVXWUHKLSA-N 1 0 279.424 3.069 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)s1 ZINC000161406076 372321700 /nfs/dbraw/zinc/32/17/00/372321700.db2.gz CCOSIXNTQKPFGU-HIFRSBDPSA-N 1 0 275.417 3.483 20 70 CGIDRO Cc1cccn2cc(C[NH2+][C@@H](C)CCc3ccco3)nc12 ZINC000161461583 372327912 /nfs/dbraw/zinc/32/79/12/372327912.db2.gz YVTBPJAKLZQQIC-AWEZNQCLSA-N 1 0 283.375 3.347 20 70 CGIDRO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161480169 372327939 /nfs/dbraw/zinc/32/79/39/372327939.db2.gz CVJXWBVQPOYOHK-NVXWUHKLSA-N 1 0 299.414 3.430 20 70 CGIDRO C[C@H](CC1CCCCC1)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161509734 372331628 /nfs/dbraw/zinc/33/16/28/372331628.db2.gz LVQMRWNLTBDWEH-KTFSGNIMSA-N 1 0 292.467 3.334 20 70 CGIDRO C/C(=C/c1ccccc1)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000216986772 376170206 /nfs/dbraw/zinc/17/02/06/376170206.db2.gz NQAXULMPMZHTCQ-UDLNKVAWSA-N 1 0 272.436 3.411 20 70 CGIDRO c1c2ccccc2oc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217631556 376177364 /nfs/dbraw/zinc/17/73/64/376177364.db2.gz KLWNHHHVIAAOIX-CVEARBPZSA-N 1 0 270.376 3.149 20 70 CGIDRO COc1ccc(N[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000217908729 376181113 /nfs/dbraw/zinc/18/11/13/376181113.db2.gz AGBJNBBLWXURNR-COPLHBTASA-N 1 0 282.815 3.489 20 70 CGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000218097146 376185404 /nfs/dbraw/zinc/18/54/04/376185404.db2.gz MKNSOIZANVVJNF-IACUBPJLSA-N 1 0 277.364 3.024 20 70 CGIDRO [NH3+]C1(CC(=O)Nc2cc(C3CCCCCC3)[nH]n2)CCC1 ZINC000159480362 542149770 /nfs/dbraw/zinc/14/97/70/542149770.db2.gz SSVJWAVNJOIUJH-UHFFFAOYSA-N 1 0 290.411 3.058 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000160108224 542152894 /nfs/dbraw/zinc/15/28/94/542152894.db2.gz CQBUVDIMPBWJCJ-JGGQBBKZSA-N 1 0 263.381 3.303 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000159377615 392579553 /nfs/dbraw/zinc/57/95/53/392579553.db2.gz ZERAIUAXYKNGKX-KBUPBQIOSA-N 1 0 270.486 3.123 20 70 CGIDRO CO[C@]1(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CCOC1 ZINC000160101806 392581975 /nfs/dbraw/zinc/58/19/75/392581975.db2.gz NWOBYKQKTQAEMM-WMZOPIPTSA-N 1 0 289.419 3.194 20 70 CGIDRO C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000217727110 270085276 /nfs/dbraw/zinc/08/52/76/270085276.db2.gz FTISYVBWNJAWQR-DZGCQCFKSA-N 1 0 275.392 3.206 20 70 CGIDRO CCC[C@](C)(O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217805762 270085577 /nfs/dbraw/zinc/08/55/77/270085577.db2.gz AQWZEFCTOUCRAN-KRWDZBQOSA-N 1 0 277.408 3.041 20 70 CGIDRO CC(C)C[C@H]([NH2+]CCCN1CCCC1=O)c1cccs1 ZINC000159541095 279192339 /nfs/dbraw/zinc/19/23/39/279192339.db2.gz ANTVERCNMJVHNT-AWEZNQCLSA-N 1 0 294.464 3.437 20 70 CGIDRO Fc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514240 279462827 /nfs/dbraw/zinc/46/28/27/279462827.db2.gz JJMIWIWAGURYAO-CQDKDKBSSA-N 1 0 279.330 3.012 20 70 CGIDRO CC(C)c1nc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159553467 321836651 /nfs/dbraw/zinc/83/66/51/321836651.db2.gz ZNQKKUAJOGHBOM-MJBXVCDLSA-N 1 0 292.448 3.314 20 70 CGIDRO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)C1CC1 ZINC000160036604 321844907 /nfs/dbraw/zinc/84/49/07/321844907.db2.gz GBYKQMUPMINFLI-CQSZACIVSA-N 1 0 292.389 3.429 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](CCc1ccccc1)C(C)C ZINC000160350649 321850366 /nfs/dbraw/zinc/85/03/66/321850366.db2.gz AORYMRAEGVOEQO-DLBZAZTESA-N 1 0 295.492 3.347 20 70 CGIDRO CC[C@H](CO)[NH2+][C@H](CC)c1cccc(Cl)c1F ZINC000161480212 321868126 /nfs/dbraw/zinc/86/81/26/321868126.db2.gz VNQCNNNUMDJNMV-BXKDBHETSA-N 1 0 259.752 3.291 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291576 520552121 /nfs/dbraw/zinc/55/21/21/520552121.db2.gz RUYHKXVJQVEZOE-XHSDSOJGSA-N 1 0 293.455 3.445 20 70 CGIDRO Cc1cccc(OCC[NH2+]Cc2cccc3c2NCC3)c1 ZINC000159397442 524750274 /nfs/dbraw/zinc/75/02/74/524750274.db2.gz IDWLDCRQSMUXGE-UHFFFAOYSA-N 1 0 282.387 3.132 20 70 CGIDRO Cc1cc(F)ccc1CC[NH2+]Cc1cccc2c1NCC2 ZINC000159439237 524970260 /nfs/dbraw/zinc/97/02/60/524970260.db2.gz XKTMEUCORJEOSD-UHFFFAOYSA-N 1 0 284.378 3.434 20 70 CGIDRO Cc1ccc([C@@H](C)[NH2+]CCOCCOc2ccccc2)o1 ZINC000160750602 525726364 /nfs/dbraw/zinc/72/63/64/525726364.db2.gz AWMJRJBDDBBFDU-OAHLLOKOSA-N 1 0 289.375 3.334 20 70 CGIDRO CC(C)[C@@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160581188 528397287 /nfs/dbraw/zinc/39/72/87/528397287.db2.gz GUCNMKSOFLDCGP-JTQLQIEISA-N 1 0 271.202 3.226 20 70 CGIDRO CC(C)[C@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000160581291 528949870 /nfs/dbraw/zinc/94/98/70/528949870.db2.gz GUCNMKSOFLDCGP-SNVBAGLBSA-N 1 0 271.202 3.226 20 70 CGIDRO CCSCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000160502839 529178753 /nfs/dbraw/zinc/17/87/53/529178753.db2.gz QSFVNCMJMHPPLJ-UHFFFAOYSA-N 1 0 253.411 3.189 20 70 CGIDRO CCCc1sc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1CC ZINC000161144902 572432384 /nfs/dbraw/zinc/43/23/84/572432384.db2.gz KEXNEZSAUUMOTL-QWHCGFSZSA-N 1 0 294.464 3.263 20 70 CGIDRO CCc1ccccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000161378894 529566799 /nfs/dbraw/zinc/56/67/99/529566799.db2.gz UBCQFVRFLDAYNM-UHFFFAOYSA-N 1 0 288.435 3.243 20 70 CGIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)CC2CC[NH2+]CC2)c1 ZINC000159967300 232243070 /nfs/dbraw/zinc/24/30/70/232243070.db2.gz BHRJGAHXTAPZKH-HNNXBMFYSA-N 1 0 288.435 3.213 20 70 CGIDRO COc1ccc([C@H](C)[N@H+](C)CC[C@@H]2CCC[NH+]2C)cc1 ZINC000161354037 232249119 /nfs/dbraw/zinc/24/91/19/232249119.db2.gz PMJDHARPNLZKLB-HOCLYGCPSA-N 1 0 276.424 3.172 20 70 CGIDRO O=C(NCc1ncc[nH]1)c1cccc(OC2CCCCC2)c1 ZINC000159863771 346169465 /nfs/dbraw/zinc/16/94/65/346169465.db2.gz URZNEVAFQSHTDI-UHFFFAOYSA-N 1 0 299.374 3.051 20 70 CGIDRO CCS(=O)(=O)CCC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000160495774 346170756 /nfs/dbraw/zinc/17/07/56/346170756.db2.gz YTTUAXRVQCSIQX-ZIAGYGMSSA-N 1 0 289.485 3.006 20 70 CGIDRO CC[C@H]([NH2+]CCCCC(=O)OC)c1ccc(F)cc1F ZINC000160832375 346172729 /nfs/dbraw/zinc/17/27/29/346172729.db2.gz MZMACCDUPWDGFU-AWEZNQCLSA-N 1 0 285.334 3.349 20 70 CGIDRO CC[C@H](c1ccc(F)cc1)N(C)Cc1nccn1C ZINC000160869872 346173163 /nfs/dbraw/zinc/17/31/63/346173163.db2.gz QZHITTZGZVOHGW-CQSZACIVSA-N 1 0 261.344 3.142 20 70 CGIDRO Cc1cccc(C(=O)Nc2ccccc2C[NH+](C)C)c1F ZINC000161457946 346175881 /nfs/dbraw/zinc/17/58/81/346175881.db2.gz UUPVCRCVFGSBRX-UHFFFAOYSA-N 1 0 286.350 3.448 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1(C)C ZINC000217892042 346291907 /nfs/dbraw/zinc/29/19/07/346291907.db2.gz TXMZMXBRQFJCLE-HOTGVXAUSA-N 1 0 272.392 3.461 20 70 CGIDRO CCC1(C[NH2+]Cc2ccccc2NC(C)=O)CCC1 ZINC000160541385 188479014 /nfs/dbraw/zinc/47/90/14/188479014.db2.gz KDNALDBJTOBMGQ-UHFFFAOYSA-N 1 0 260.381 3.315 20 70 CGIDRO CC[C@@H]([NH2+][C@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160772597 188490628 /nfs/dbraw/zinc/49/06/28/188490628.db2.gz ZPBDHNKZSDDLTN-IAGOWNOFSA-N 1 0 286.419 3.128 20 70 CGIDRO Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1OC(C)C ZINC000160904202 188497093 /nfs/dbraw/zinc/49/70/93/188497093.db2.gz WIYRUYAEZPJLDF-UHFFFAOYSA-N 1 0 290.407 3.110 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000159781710 283574483 /nfs/dbraw/zinc/57/44/83/283574483.db2.gz HBDRCDHCJJYYAE-HLLBOEOZSA-N 1 0 288.435 3.150 20 70 CGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(F)cc1N(C)C ZINC000160599324 296133155 /nfs/dbraw/zinc/13/31/55/296133155.db2.gz YUHCRGJAHCLAIT-XNJGSVPQSA-N 1 0 294.414 3.093 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C1 ZINC000159433735 372143315 /nfs/dbraw/zinc/14/33/15/372143315.db2.gz YAOSTAGEFVCFLH-MCIONIFRSA-N 1 0 259.459 3.311 20 70 CGIDRO Cc1cc(Cl)cc(C)c1C[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159527068 372152484 /nfs/dbraw/zinc/15/24/84/372152484.db2.gz NXCQMLNLKVSQCY-QWHCGFSZSA-N 1 0 294.826 3.043 20 70 CGIDRO [NH3+]C1(C(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)CCCCC1 ZINC000159723964 372173192 /nfs/dbraw/zinc/17/31/92/372173192.db2.gz MYLYGCXPLDNEJD-HZPDHXFCSA-N 1 0 286.419 3.101 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H](CC)c2cnn(C)c2)C1(C)C ZINC000159766995 372178364 /nfs/dbraw/zinc/17/83/64/372178364.db2.gz HODKWEBKEJUXJY-HRCADAONSA-N 1 0 293.455 3.445 20 70 CGIDRO COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(CO)CCCC1 ZINC000160070914 372209319 /nfs/dbraw/zinc/20/93/19/372209319.db2.gz UBBHVDRDJQMWRL-KRWDZBQOSA-N 1 0 289.419 3.215 20 70 CGIDRO CN(Cc1csc(-c2ccsc2)n1)[C@@H](C[NH3+])C1CC1 ZINC000160086535 372210488 /nfs/dbraw/zinc/21/04/88/372210488.db2.gz ZATIQZSZUCGSGZ-ZDUSSCGKSA-N 1 0 293.461 3.041 20 70 CGIDRO CCCC[C@H](COC)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160080073 372210896 /nfs/dbraw/zinc/21/08/96/372210896.db2.gz JFSOFDSDZKXYNV-OAHLLOKOSA-N 1 0 280.412 3.164 20 70 CGIDRO CC[C@@]1(C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000160133094 372216603 /nfs/dbraw/zinc/21/66/03/372216603.db2.gz DCHQENAWTSJNPV-AEFFLSMTSA-N 1 0 288.435 3.013 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000160138053 372216619 /nfs/dbraw/zinc/21/66/19/372216619.db2.gz RMWMWJKVBOCCGH-KGLIPLIRSA-N 1 0 264.413 3.076 20 70 CGIDRO CCC[C@H](O)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160149006 372218086 /nfs/dbraw/zinc/21/80/86/372218086.db2.gz KTCWSIAOBXIIBA-JTQLQIEISA-N 1 0 279.277 3.095 20 70 CGIDRO CC(C)[N@H+](CCc1nccs1)CCc1ccncc1 ZINC000159947393 372196866 /nfs/dbraw/zinc/19/68/66/372196866.db2.gz WWHIYRKLLLOECD-UHFFFAOYSA-N 1 0 275.421 3.034 20 70 CGIDRO C[NH2+]CCC1CCN(C(=O)c2cccc(C)c2Cl)CC1 ZINC000160393763 372244642 /nfs/dbraw/zinc/24/46/42/372244642.db2.gz WPOCMRVFNBYKEQ-UHFFFAOYSA-N 1 0 294.826 3.110 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2c(Cl)nc3ccccn32)CCO1 ZINC000160432534 372246281 /nfs/dbraw/zinc/24/62/81/372246281.db2.gz LUACBMQTYBMZEW-LLVKDONJSA-N 1 0 293.798 3.035 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccccc2)CCCC1 ZINC000160526983 372255727 /nfs/dbraw/zinc/25/57/27/372255727.db2.gz QVGRWGSGNJVJOX-UHFFFAOYSA-N 1 0 288.435 3.132 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000160604045 372261382 /nfs/dbraw/zinc/26/13/82/372261382.db2.gz TWFUEGLLNQATSB-PVAVHDDUSA-N 1 0 291.460 3.158 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000160639902 372264083 /nfs/dbraw/zinc/26/40/83/372264083.db2.gz JSIOTQXTAXISKZ-UHFFFAOYSA-N 1 0 292.386 3.208 20 70 CGIDRO Cc1n[nH]c(C)c1C[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000160632648 372264432 /nfs/dbraw/zinc/26/44/32/372264432.db2.gz FDBNTSGIBGLKDD-UHFFFAOYSA-N 1 0 295.333 3.260 20 70 CGIDRO Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000160632719 372264838 /nfs/dbraw/zinc/26/48/38/372264838.db2.gz RPGIQZCPLOIIDQ-MRXNPFEDSA-N 1 0 299.418 3.432 20 70 CGIDRO CC(C)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160794597 372275546 /nfs/dbraw/zinc/27/55/46/372275546.db2.gz AWDGEZWDFNHWOJ-UHFFFAOYSA-N 1 0 257.381 3.202 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000161410164 372321437 /nfs/dbraw/zinc/32/14/37/372321437.db2.gz GPWUUNNEPQUKNL-WBVHZDCISA-N 1 0 288.435 3.447 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(F)cc1F ZINC000161455374 372325517 /nfs/dbraw/zinc/32/55/17/372325517.db2.gz XBKQJBSIWDNBIE-GXTWGEPZSA-N 1 0 291.341 3.392 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccccc1OC(C)C ZINC000217375027 376172526 /nfs/dbraw/zinc/17/25/26/376172526.db2.gz NQSZTNCDQADCMN-OAHLLOKOSA-N 1 0 278.440 3.294 20 70 CGIDRO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cscn1 ZINC000218241672 376186506 /nfs/dbraw/zinc/18/65/06/376186506.db2.gz IKTYSULXCXPYDS-LLVKDONJSA-N 1 0 299.440 3.051 20 70 CGIDRO Cc1cnn(CC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)c1 ZINC000218268534 376187162 /nfs/dbraw/zinc/18/71/62/376187162.db2.gz ODGJQAWGQGIIKE-NSHDSACASA-N 1 0 281.762 3.335 20 70 CGIDRO Cc1ccccc1[C@@H](NC(=O)[C@@H](C)[NH3+])C1CCC(C)CC1 ZINC000159686098 542150235 /nfs/dbraw/zinc/15/02/35/542150235.db2.gz QGYNQURWIBDXHI-MAIKSMBNSA-N 1 0 288.435 3.326 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3cnccc32)CCO1 ZINC000159922181 542152182 /nfs/dbraw/zinc/15/21/82/542152182.db2.gz MNGOZBVDNOOODI-HNNXBMFYSA-N 1 0 270.376 3.282 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000159982350 542151443 /nfs/dbraw/zinc/15/14/43/542151443.db2.gz WJONVPPRQHZCNU-QGZVFWFLSA-N 1 0 269.392 3.460 20 70 CGIDRO CCn1nccc1C[NH2+][C@@H](c1ccc(OC)cc1)C(C)C ZINC000159907419 542151596 /nfs/dbraw/zinc/15/15/96/542151596.db2.gz RVOPVWMDPDCIHC-QGZVFWFLSA-N 1 0 287.407 3.399 20 70 CGIDRO C[C@@H](c1cccc(Br)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160774449 542156138 /nfs/dbraw/zinc/15/61/38/542156138.db2.gz RJRIDLRRQPUELS-HZMBPMFUSA-N 1 0 298.224 3.213 20 70 CGIDRO CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000160979213 542157582 /nfs/dbraw/zinc/15/75/82/542157582.db2.gz QAPZZORXEIIAOO-ZDUSSCGKSA-N 1 0 275.396 3.045 20 70 CGIDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)C[C@H](c2ccccc2)C1 ZINC000160659437 533642598 /nfs/dbraw/zinc/64/25/98/533642598.db2.gz OTCWJWWULOBEKU-NUEKZKHPSA-N 1 0 261.409 3.319 20 70 CGIDRO CC[C@H]([NH2+]CCCc1cccc(F)c1)c1cnn(C)c1 ZINC000159747916 165466608 /nfs/dbraw/zinc/46/66/08/165466608.db2.gz VKQJOHGMYBMYAY-INIZCTEOSA-N 1 0 275.371 3.233 20 70 CGIDRO CCC[N@@H+](CC(=O)N(C)[C@H]1CCCC[C@@H]1C)CC1CC1 ZINC000217200418 270085169 /nfs/dbraw/zinc/08/51/69/270085169.db2.gz JEMCQWUWHDNCMA-HOCLYGCPSA-N 1 0 280.456 3.146 20 70 CGIDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217805668 270085435 /nfs/dbraw/zinc/08/54/35/270085435.db2.gz AQWZEFCTOUCRAN-QGZVFWFLSA-N 1 0 277.408 3.041 20 70 CGIDRO CCN1CCC[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000217876393 270085478 /nfs/dbraw/zinc/08/54/78/270085478.db2.gz JRPALIGFNOLCPH-SJORKVTESA-N 1 0 276.399 3.351 20 70 CGIDRO CCOC(CC[NH2+][C@@H]1CCCc2ccccc21)OCC ZINC000159534222 279649192 /nfs/dbraw/zinc/64/91/92/279649192.db2.gz FOBMWAUSEAAFMM-MRXNPFEDSA-N 1 0 277.408 3.443 20 70 CGIDRO OCC[NH2+]C(CCc1ccccc1)CCc1ccccc1 ZINC000159692221 321839040 /nfs/dbraw/zinc/83/90/40/321839040.db2.gz UYVXZYDBVCQAKV-UHFFFAOYSA-N 1 0 283.415 3.203 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159833474 321841806 /nfs/dbraw/zinc/84/18/06/321841806.db2.gz IDAVENHFCABAKH-KDOFPFPSSA-N 1 0 272.436 3.211 20 70 CGIDRO CC[C@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159833760 321841970 /nfs/dbraw/zinc/84/19/70/321841970.db2.gz IDAVENHFCABAKH-KSSFIOAISA-N 1 0 272.436 3.211 20 70 CGIDRO CC(C)[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159972767 321844415 /nfs/dbraw/zinc/84/44/15/321844415.db2.gz IJCBCIQQHYGKDD-GFCCVEGCSA-N 1 0 280.378 3.285 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC(C)C)nc1 ZINC000160039838 321845481 /nfs/dbraw/zinc/84/54/81/321845481.db2.gz GPRJTOSUJBEQEA-QWHCGFSZSA-N 1 0 250.386 3.393 20 70 CGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1C ZINC000160771963 321857243 /nfs/dbraw/zinc/85/72/43/321857243.db2.gz LAPZIIWLZBZDOU-JKSUJKDBSA-N 1 0 290.451 3.163 20 70 CGIDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000161115074 321862500 /nfs/dbraw/zinc/86/25/00/321862500.db2.gz OGOHVKZGAWIZQO-OAHLLOKOSA-N 1 0 280.799 3.303 20 70 CGIDRO OC[C@H](C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccccc1 ZINC000161407297 321866957 /nfs/dbraw/zinc/86/69/57/321866957.db2.gz HHRMPVOPJCMQDK-MAUKXSAKSA-N 1 0 285.362 3.179 20 70 CGIDRO OC[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000161420200 321867164 /nfs/dbraw/zinc/86/71/64/321867164.db2.gz BDIZDCBSMMMQSS-VQTJNVASSA-N 1 0 295.426 3.373 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000161208665 521596887 /nfs/dbraw/zinc/59/68/87/521596887.db2.gz QTNBVCQJUDQTBQ-UONOGXRCSA-N 1 0 250.386 3.113 20 70 CGIDRO CC[C@H](C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000160497997 523914842 /nfs/dbraw/zinc/91/48/42/523914842.db2.gz NGXFMCXJSYTORX-ZDUSSCGKSA-N 1 0 268.445 3.001 20 70 CGIDRO CCc1ccc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161141746 524047466 /nfs/dbraw/zinc/04/74/66/524047466.db2.gz VOKWHUBYCHUZIT-IHRRRGAJSA-N 1 0 264.413 3.365 20 70 CGIDRO CCCCN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000161356319 528309047 /nfs/dbraw/zinc/30/90/47/528309047.db2.gz OBMJBXNLNYGPIX-RDJZCZTQSA-N 1 0 288.435 3.376 20 70 CGIDRO COCC(C)(C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160145526 232244274 /nfs/dbraw/zinc/24/42/74/232244274.db2.gz ROZBYCDODBBIJY-UHFFFAOYSA-N 1 0 279.277 3.359 20 70 CGIDRO O=C(CCCC1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160737069 232247040 /nfs/dbraw/zinc/24/70/40/232247040.db2.gz FLPIBJSQFWBOQW-IYBDPMFKSA-N 1 0 278.440 3.090 20 70 CGIDRO COc1cc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000160040552 188452568 /nfs/dbraw/zinc/45/25/68/188452568.db2.gz LZTAKDPIZFZEMJ-VHDGCEQUSA-N 1 0 278.371 3.167 20 70 CGIDRO CC(C)[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000160830508 188493521 /nfs/dbraw/zinc/49/35/21/188493521.db2.gz YSVKFKOYRANXON-DOMZBBRYSA-N 1 0 294.826 3.153 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000161338104 188522983 /nfs/dbraw/zinc/52/29/83/188522983.db2.gz OMZIZDFRFQKVRE-YOEHRIQHSA-N 1 0 288.435 3.213 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2)C1CC1 ZINC000160114328 296150715 /nfs/dbraw/zinc/15/07/15/296150715.db2.gz AMIFLALTFUEZQU-MNOVXSKESA-N 1 0 272.392 3.365 20 70 CGIDRO C[C@H](c1ccccc1F)[N@H+](C)CCOCC1CC1 ZINC000159361538 372135214 /nfs/dbraw/zinc/13/52/14/372135214.db2.gz NXAAXGNGMDEFIU-GFCCVEGCSA-N 1 0 251.345 3.245 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)CCC(C)C)o1 ZINC000159431769 372143281 /nfs/dbraw/zinc/14/32/81/372143281.db2.gz GESAFYBJTQDDPM-DZGCQCFKSA-N 1 0 253.386 3.426 20 70 CGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000159457130 372146156 /nfs/dbraw/zinc/14/61/56/372146156.db2.gz HBUNTEIHOBBZTD-BDAKNGLRSA-N 1 0 262.180 3.367 20 70 CGIDRO C[C@@H](CCNC(=O)[C@@H]1CC1(C)C)[N@H+](C)Cc1ccccc1 ZINC000159819231 372182725 /nfs/dbraw/zinc/18/27/25/372182725.db2.gz LNZGKCHOVYFSOJ-HOCLYGCPSA-N 1 0 288.435 3.059 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CCCC(C)(C)CC1 ZINC000159583187 372157879 /nfs/dbraw/zinc/15/78/79/372157879.db2.gz GSBRJTZYKKDZPT-UHFFFAOYSA-N 1 0 264.417 3.009 20 70 CGIDRO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cncc(F)c1 ZINC000159627456 372162761 /nfs/dbraw/zinc/16/27/61/372162761.db2.gz WXNHQOLYQLRYFR-LLVKDONJSA-N 1 0 279.403 3.181 20 70 CGIDRO CCCCc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000159698069 372169960 /nfs/dbraw/zinc/16/99/60/372169960.db2.gz DNEHHRVMKPCDCE-STQMWFEESA-N 1 0 263.385 3.177 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000159698130 372170142 /nfs/dbraw/zinc/17/01/42/372170142.db2.gz JTYAXRSUIJBGQD-OAHLLOKOSA-N 1 0 255.365 3.099 20 70 CGIDRO [NH3+]C1(C(=O)N[C@@H]2CCC[C@H]2c2ccccc2)CCCCC1 ZINC000159723828 372174533 /nfs/dbraw/zinc/17/45/33/372174533.db2.gz MYLYGCXPLDNEJD-JKSUJKDBSA-N 1 0 286.419 3.101 20 70 CGIDRO COc1cccc([C@H](C)[N@H+](C)CCOCC2CC2)c1 ZINC000159762991 372177686 /nfs/dbraw/zinc/17/76/86/372177686.db2.gz BXINYBGHCJWFLO-ZDUSSCGKSA-N 1 0 263.381 3.115 20 70 CGIDRO c1cn(CC[N@@H+]2CCC[C@H]2CC2CCCCC2)cn1 ZINC000159784693 372179627 /nfs/dbraw/zinc/17/96/27/372179627.db2.gz WJLZRXSJMPTMGB-INIZCTEOSA-N 1 0 261.413 3.318 20 70 CGIDRO CC(C)Oc1cccc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000160078183 372210701 /nfs/dbraw/zinc/21/07/01/372210701.db2.gz SHDDCZOBNSIKCN-UHFFFAOYSA-N 1 0 277.408 3.116 20 70 CGIDRO CCC[C@@H](O)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160149142 372218548 /nfs/dbraw/zinc/21/85/48/372218548.db2.gz KTCWSIAOBXIIBA-SNVBAGLBSA-N 1 0 279.277 3.095 20 70 CGIDRO CC[N@H+](CCNC(=O)CC/C=C/c1ccccc1)C(C)C ZINC000160174302 372220745 /nfs/dbraw/zinc/22/07/45/372220745.db2.gz BQWZGGIQLITHRJ-XYOKQWHBSA-N 1 0 288.435 3.327 20 70 CGIDRO C[C@]1([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CCOC1 ZINC000160184215 372221946 /nfs/dbraw/zinc/22/19/46/372221946.db2.gz SNSBCBBZMULYDJ-INIZCTEOSA-N 1 0 275.323 3.354 20 70 CGIDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(F)cc1 ZINC000159847771 372187361 /nfs/dbraw/zinc/18/73/61/372187361.db2.gz JHERMPTXLPSZCT-QOWREQOWSA-N 1 0 263.356 3.290 20 70 CGIDRO C[C@@](O)(C[NH2+][C@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871967 372188822 /nfs/dbraw/zinc/18/88/22/372188822.db2.gz HVZAXYVJBWLNFH-JKSUJKDBSA-N 1 0 291.391 3.372 20 70 CGIDRO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC=CCC1 ZINC000159881938 372191210 /nfs/dbraw/zinc/19/12/10/372191210.db2.gz OTRXPVZYJFESFD-AWEZNQCLSA-N 1 0 297.402 3.101 20 70 CGIDRO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(F)cc1F ZINC000159982500 372201189 /nfs/dbraw/zinc/20/11/89/372201189.db2.gz XMLFUDFFKPNCMT-HNNXBMFYSA-N 1 0 298.377 3.168 20 70 CGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000161092301 372299885 /nfs/dbraw/zinc/29/98/85/372299885.db2.gz GAHBWVZRWFAFCD-XJKSGUPXSA-N 1 0 299.370 3.190 20 70 CGIDRO CCc1ccc([C@@H](CC)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160426327 372245642 /nfs/dbraw/zinc/24/56/42/372245642.db2.gz NEKDMNKCAZWQDU-IAGOWNOFSA-N 1 0 298.434 3.205 20 70 CGIDRO C[C@@H]([NH2+]CC1(Sc2ccccc2)CC1)c1cnccn1 ZINC000160486637 372251799 /nfs/dbraw/zinc/25/17/99/372251799.db2.gz BBNDWIYKPGFKDI-CYBMUJFWSA-N 1 0 285.416 3.452 20 70 CGIDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160497584 372251881 /nfs/dbraw/zinc/25/18/81/372251881.db2.gz ZPJJCWBFQAOJLL-AWEZNQCLSA-N 1 0 261.413 3.206 20 70 CGIDRO C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160546886 372258334 /nfs/dbraw/zinc/25/83/34/372258334.db2.gz KXEKXHDTAASVAB-LXZKKBNFSA-N 1 0 279.399 3.288 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2nc(C)ccc2O)cc1 ZINC000160635537 372264883 /nfs/dbraw/zinc/26/48/83/372264883.db2.gz OVECEHJYGQHVIS-UHFFFAOYSA-N 1 0 256.349 3.036 20 70 CGIDRO CC(C)COCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160664017 372265960 /nfs/dbraw/zinc/26/59/60/372265960.db2.gz ONWLISJZBZULCR-KRWDZBQOSA-N 1 0 261.409 3.270 20 70 CGIDRO CC[NH+]1CCC(CCNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000160706052 372269764 /nfs/dbraw/zinc/26/97/64/372269764.db2.gz USCNUWIBUPPUTQ-UHFFFAOYSA-N 1 0 294.483 3.441 20 70 CGIDRO Cc1ccc(SCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000160793965 372275262 /nfs/dbraw/zinc/27/52/62/372275262.db2.gz LOBPMGLTZJHDQF-HOCLYGCPSA-N 1 0 278.465 3.017 20 70 CGIDRO Cc1c2ccccc2oc1CNC(=O)C1([NH3+])CCCCC1 ZINC000160818535 372278744 /nfs/dbraw/zinc/27/87/44/372278744.db2.gz RWNRCNHWURCBIZ-UHFFFAOYSA-N 1 0 286.375 3.019 20 70 CGIDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160829104 372279694 /nfs/dbraw/zinc/27/96/94/372279694.db2.gz REPUKGUPHWKNPY-AWEZNQCLSA-N 1 0 280.456 3.003 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000160911759 372287795 /nfs/dbraw/zinc/28/77/95/372287795.db2.gz MBXCMGGBINHDMM-YOEHRIQHSA-N 1 0 298.434 3.375 20 70 CGIDRO Cc1ccc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161126900 372303904 /nfs/dbraw/zinc/30/39/04/372303904.db2.gz BMKJRCPKYKPEMF-MCIONIFRSA-N 1 0 250.386 3.111 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000161171637 372307519 /nfs/dbraw/zinc/30/75/19/372307519.db2.gz LVGRUUAEIDEPQF-ZFWWWQNUSA-N 1 0 294.414 3.359 20 70 CGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504139 372329527 /nfs/dbraw/zinc/32/95/27/372329527.db2.gz CDOAYERSMHJHGD-SWLSCSKDSA-N 1 0 291.341 3.392 20 70 CGIDRO C[C@@H](NC[C@H]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC000217770320 376178763 /nfs/dbraw/zinc/17/87/63/376178763.db2.gz ZXAAYTKMHIYGBC-YNEHKIRRSA-N 1 0 255.402 3.133 20 70 CGIDRO Cc1cc(C(=O)CN2CCC[C@@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811165 376179611 /nfs/dbraw/zinc/17/96/11/376179611.db2.gz YTHAMVGEDWGTAY-GOEBONIOSA-N 1 0 274.408 3.469 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1F ZINC000218197840 376185459 /nfs/dbraw/zinc/18/54/59/376185459.db2.gz UGUMBIMBGCDTBJ-SGIREYDYSA-N 1 0 281.371 3.443 20 70 CGIDRO CCCn1nccc1C[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000159985674 542151654 /nfs/dbraw/zinc/15/16/54/542151654.db2.gz VDGGRYVBIQNESJ-UHFFFAOYSA-N 1 0 295.333 3.184 20 70 CGIDRO CCCn1nccc1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000159953384 542151675 /nfs/dbraw/zinc/15/16/75/542151675.db2.gz GVRXVSCBKNAVIG-UHFFFAOYSA-N 1 0 273.424 3.352 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1 ZINC000160542610 542155256 /nfs/dbraw/zinc/15/52/56/542155256.db2.gz RUSVLTNDLGQQQJ-CQSZACIVSA-N 1 0 297.464 3.113 20 70 CGIDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccc(C)nc1 ZINC000161476937 542158650 /nfs/dbraw/zinc/15/86/50/542158650.db2.gz CXNYOFRFOYCTDF-UHFFFAOYSA-N 1 0 292.427 3.024 20 70 CGIDRO CCSCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000160032802 392581198 /nfs/dbraw/zinc/58/11/98/392581198.db2.gz DWRWYECFWMZJMU-AWEZNQCLSA-N 1 0 265.422 3.238 20 70 CGIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000159889450 392581218 /nfs/dbraw/zinc/58/12/18/392581218.db2.gz KQJZQBORIWIDBY-IIAWOOMASA-N 1 0 288.435 3.073 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000160360681 392581960 /nfs/dbraw/zinc/58/19/60/392581960.db2.gz TVOPIPWXJYMMAR-MELADBBJSA-N 1 0 268.445 3.094 20 70 CGIDRO Fc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1Cl ZINC000218314954 392996165 /nfs/dbraw/zinc/99/61/65/392996165.db2.gz VJFGESGPVSAVPE-GJZGRUSLSA-N 1 0 282.790 3.196 20 70 CGIDRO CCCCC1CCC(C(=O)N(C)[C@@H](C[NH3+])C2CC2)CC1 ZINC000159784554 165466749 /nfs/dbraw/zinc/46/67/49/165466749.db2.gz KELOIDBFZSGMCA-BCLQGDPASA-N 1 0 280.456 3.179 20 70 CGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533835 278354272 /nfs/dbraw/zinc/35/42/72/278354272.db2.gz VSDJBDBUBOBFBQ-RULNRJAQSA-N 1 0 287.325 3.306 20 70 CGIDRO Clc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159615754 321837086 /nfs/dbraw/zinc/83/70/86/321837086.db2.gz CLRZQCYUAZTCQO-CFVMTHIKSA-N 1 0 277.795 3.387 20 70 CGIDRO COc1ccc(C)cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159640406 321837723 /nfs/dbraw/zinc/83/77/23/321837723.db2.gz SRYSPERWAHAZIN-OIISXLGYSA-N 1 0 287.403 3.051 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000160272711 321849221 /nfs/dbraw/zinc/84/92/21/321849221.db2.gz PUNWFMMHCLJTDO-GUTXKFCHSA-N 1 0 273.486 3.295 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2coc3ccccc23)CCO1 ZINC000160616623 321854808 /nfs/dbraw/zinc/85/48/08/321854808.db2.gz BKWVWIVAEUTYKV-ZDUSSCGKSA-N 1 0 259.349 3.480 20 70 CGIDRO Cc1c(C[NH2+]Cc2ccccc2OCC(C)C)cnn1C ZINC000160732126 321856874 /nfs/dbraw/zinc/85/68/74/321856874.db2.gz HSCDJSREWSEHQN-UHFFFAOYSA-N 1 0 287.407 3.053 20 70 CGIDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2cc(F)cc(F)c2)[C@@H]1C ZINC000217143964 329321639 /nfs/dbraw/zinc/32/16/39/329321639.db2.gz CEXKZUMTIDLHOT-UEKVPHQBSA-N 1 0 296.361 3.318 20 70 CGIDRO CCS[C@H]1CCCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160363981 521730588 /nfs/dbraw/zinc/73/05/88/521730588.db2.gz LRKBWBRAFWGWAK-HNNXBMFYSA-N 1 0 289.448 3.442 20 70 CGIDRO CC[C@@H](COC)[NH2+]CC1(Sc2ccccc2)CC1 ZINC000160505985 522592122 /nfs/dbraw/zinc/59/21/22/522592122.db2.gz ZBEMYIHVEHXWNJ-ZDUSSCGKSA-N 1 0 265.422 3.326 20 70 CGIDRO C[C@@H](CNCc1ccc(Cl)cc1F)C[NH+]1CCCC1 ZINC000160820275 524741579 /nfs/dbraw/zinc/74/15/79/524741579.db2.gz KQMCGUQBUIGPDL-LBPRGKRZSA-N 1 0 284.806 3.301 20 70 CGIDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(C3CC3)n2)C1 ZINC000161262315 525212165 /nfs/dbraw/zinc/21/21/65/525212165.db2.gz JBYWRRFYIKGKSB-GHMZBOCLSA-N 1 0 250.411 3.498 20 70 CGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)C1CCOCC1 ZINC000161008624 525422170 /nfs/dbraw/zinc/42/21/70/525422170.db2.gz NVQKNRUSFWQHBB-XJKSGUPXSA-N 1 0 259.393 3.121 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]CCC1CCCCC1 ZINC000160987838 527487361 /nfs/dbraw/zinc/48/73/61/527487361.db2.gz CNSKRSHMHHBFRR-HNNXBMFYSA-N 1 0 274.408 3.312 20 70 CGIDRO CC(C)C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C ZINC000159890061 528329238 /nfs/dbraw/zinc/32/92/38/528329238.db2.gz MMCKEAOYPKBMMH-HNNXBMFYSA-N 1 0 270.367 3.031 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000161004650 529133049 /nfs/dbraw/zinc/13/30/49/529133049.db2.gz DYOVGCXQOXDATP-BHYGNILZSA-N 1 0 288.435 3.073 20 70 CGIDRO CC(C)[NH2+]CCC(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071407 572337562 /nfs/dbraw/zinc/33/75/62/572337562.db2.gz YSCHPAAOACMOAU-UHFFFAOYSA-N 1 0 292.427 3.174 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cn1 ZINC000160101634 346170188 /nfs/dbraw/zinc/17/01/88/346170188.db2.gz FVQFGOILZUWLOT-INIZCTEOSA-N 1 0 262.397 3.393 20 70 CGIDRO CC[C@@H]1CCCCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000160920713 346172645 /nfs/dbraw/zinc/17/26/45/346172645.db2.gz VGWZTFMAKRGYBP-MRXNPFEDSA-N 1 0 295.471 3.223 20 70 CGIDRO CCc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)cc1 ZINC000218165409 346292957 /nfs/dbraw/zinc/29/29/57/346292957.db2.gz VDNNOJXUDOCIBT-UHFFFAOYSA-N 1 0 279.387 3.426 20 70 CGIDRO CCc1ccc(C[NH2+]Cc2nn(C)c3ccccc23)s1 ZINC000218108443 346292989 /nfs/dbraw/zinc/29/29/89/346292989.db2.gz ZRXRCDSQJBAGAX-UHFFFAOYSA-N 1 0 285.416 3.487 20 70 CGIDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000160461056 188474615 /nfs/dbraw/zinc/47/46/15/188474615.db2.gz BKPLAQTXFKUVED-NHZBNJEXSA-N 1 0 263.356 3.386 20 70 CGIDRO CC[C@H]([NH2+][C@@H](CN1CCCC1=O)c1ccccc1)C1CC1 ZINC000160772204 188490869 /nfs/dbraw/zinc/49/08/69/188490869.db2.gz ZPBDHNKZSDDLTN-IRXDYDNUSA-N 1 0 286.419 3.128 20 70 CGIDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCc1ccco1 ZINC000160826254 188493320 /nfs/dbraw/zinc/49/33/20/188493320.db2.gz GFWVBEIVWHTCLO-SQWLQELKSA-N 1 0 265.397 3.251 20 70 CGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(SC(C)C)cc1 ZINC000161368441 188523956 /nfs/dbraw/zinc/52/39/56/188523956.db2.gz GLQVQKRIUZGBPA-CQSZACIVSA-N 1 0 292.448 3.011 20 70 CGIDRO C[NH2+]C[C@@H](C)C(=O)N(C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000161455015 188528036 /nfs/dbraw/zinc/52/80/36/188528036.db2.gz IXQVOHXRHZDMOZ-JHJVBQTASA-N 1 0 296.842 3.146 20 70 CGIDRO CCC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000159779755 372179926 /nfs/dbraw/zinc/17/99/26/372179926.db2.gz IXFWBZKLZUWEGR-AWEZNQCLSA-N 1 0 280.799 3.177 20 70 CGIDRO C[N@@H+](Cc1ccc(F)cc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159463936 372145570 /nfs/dbraw/zinc/14/55/70/372145570.db2.gz CVEXZZWDKFXRHD-FZMZJTMJSA-N 1 0 271.763 3.072 20 70 CGIDRO CSc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159477005 372147638 /nfs/dbraw/zinc/14/76/38/372147638.db2.gz JZDBZMMZYIOQDX-XHSDSOJGSA-N 1 0 289.444 3.456 20 70 CGIDRO C[N@@H+](Cc1cccc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159499579 372151185 /nfs/dbraw/zinc/15/11/85/372151185.db2.gz IFQNXTVKQWBXQT-AEFFLSMTSA-N 1 0 269.388 3.433 20 70 CGIDRO Cc1cc([C@H](C)[NH2+]CCCN2CCCC2=O)cc(C)c1F ZINC000159584119 372157171 /nfs/dbraw/zinc/15/71/71/372157171.db2.gz BDTDPTSREFOVLW-AWEZNQCLSA-N 1 0 292.398 3.106 20 70 CGIDRO C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1ccccc1 ZINC000159793601 372181846 /nfs/dbraw/zinc/18/18/46/372181846.db2.gz LMPJHIXJUFAJDE-SNVBAGLBSA-N 1 0 283.297 3.290 20 70 CGIDRO Cc1cc(Cl)cc(C(=O)Nc2ccncc2O)c1 ZINC000159734241 372173852 /nfs/dbraw/zinc/17/38/52/372173852.db2.gz UIBOBPGACCURBK-UHFFFAOYSA-N 1 0 262.696 3.001 20 70 CGIDRO CCc1ccc(C[N@H+](CCn2ccnc2)C2CC2)cc1 ZINC000159742366 372176387 /nfs/dbraw/zinc/17/63/87/372176387.db2.gz SBOPEGTXMGARGE-UHFFFAOYSA-N 1 0 269.392 3.110 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000159774981 372178616 /nfs/dbraw/zinc/17/86/16/372178616.db2.gz FMNUPIAZWZPQGI-CHWSQXEVSA-N 1 0 257.381 3.406 20 70 CGIDRO Cc1nccn1CCCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000159783326 372179657 /nfs/dbraw/zinc/17/96/57/372179657.db2.gz IXOPFFQXFLJLRZ-SFHVURJKSA-N 1 0 283.419 3.461 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccnc1Cl ZINC000160084398 372211154 /nfs/dbraw/zinc/21/11/54/372211154.db2.gz OOJJWFFSVGMKGE-NEPJUHHUSA-N 1 0 269.820 3.116 20 70 CGIDRO CC[N@H+](CC(=O)Nc1c(F)cccc1F)CC(C)(C)C ZINC000160254397 372229354 /nfs/dbraw/zinc/22/93/54/372229354.db2.gz YMWDXNJOROZIII-UHFFFAOYSA-N 1 0 284.350 3.271 20 70 CGIDRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160326656 372239465 /nfs/dbraw/zinc/23/94/65/372239465.db2.gz TYPLSEMPQPIWCD-OLZOCXBDSA-N 1 0 263.381 3.303 20 70 CGIDRO C[C@H]([NH2+]CCC(C)(C)O)c1nc(C(C)(C)C)cs1 ZINC000159838241 372184985 /nfs/dbraw/zinc/18/49/85/372184985.db2.gz XXGUSBPKKPVLFO-JTQLQIEISA-N 1 0 270.442 3.252 20 70 CGIDRO C[C@@H]1CC[C@@H](C)[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000159925066 372195204 /nfs/dbraw/zinc/19/52/04/372195204.db2.gz ZQGRWDCQBJRXKG-HUUCEWRRSA-N 1 0 294.483 3.392 20 70 CGIDRO CCOCCC1(C[NH2+][C@H](C)c2cccnc2)CCC1 ZINC000159978714 372199458 /nfs/dbraw/zinc/19/94/58/372199458.db2.gz CNPBJVAHVSXJGP-CQSZACIVSA-N 1 0 262.397 3.329 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)CC2 ZINC000159975922 372199922 /nfs/dbraw/zinc/19/99/22/372199922.db2.gz PVZBAYRNGIKKMV-HZPDHXFCSA-N 1 0 289.419 3.100 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1CC2(CCCC2)c2ccccc21 ZINC000161013625 372294952 /nfs/dbraw/zinc/29/49/52/372294952.db2.gz RNOALTWLKURQRP-UHFFFAOYSA-N 1 0 286.419 3.233 20 70 CGIDRO CC(C)[NH+](CCSCCc1cccnc1)C(C)C ZINC000161055133 372298227 /nfs/dbraw/zinc/29/82/27/372298227.db2.gz QLFYSQZZXXMLGZ-UHFFFAOYSA-N 1 0 266.454 3.476 20 70 CGIDRO C[C@H](NC[C@H](C1CCCCC1)[NH+](C)C)c1ccco1 ZINC000160415798 372246579 /nfs/dbraw/zinc/24/65/79/372246579.db2.gz KDDYVOPJAXXMKB-DZGCQCFKSA-N 1 0 264.413 3.441 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CCCCCc1cccs1 ZINC000160439300 372247422 /nfs/dbraw/zinc/24/74/22/372247422.db2.gz VJMLRXJFDIYHDC-UHFFFAOYSA-N 1 0 296.480 3.485 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NC(C)(C)CC ZINC000160587660 372260672 /nfs/dbraw/zinc/26/06/72/372260672.db2.gz JIYAGYNTDVSSEU-STQMWFEESA-N 1 0 256.434 3.048 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000160632534 372264721 /nfs/dbraw/zinc/26/47/21/372264721.db2.gz HMYXBJOTDBMGRW-CQSZACIVSA-N 1 0 288.435 3.495 20 70 CGIDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC000160669024 372266238 /nfs/dbraw/zinc/26/62/38/372266238.db2.gz HHEINHMWTAXGRW-UHFFFAOYSA-N 1 0 257.381 3.474 20 70 CGIDRO CC[N@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1C ZINC000160810194 372277927 /nfs/dbraw/zinc/27/79/27/372277927.db2.gz ZOFXQEDRJFIRPT-UHFFFAOYSA-N 1 0 297.464 3.030 20 70 CGIDRO CC[C@H](C)[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000161124408 372304430 /nfs/dbraw/zinc/30/44/30/372304430.db2.gz QMFLNIHMWWORPC-QWHCGFSZSA-N 1 0 282.378 3.317 20 70 CGIDRO CCC[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)[NH+](C)C ZINC000161279550 372314989 /nfs/dbraw/zinc/31/49/89/372314989.db2.gz LFKKIQLLMQCBNK-OCCSQVGLSA-N 1 0 288.391 3.340 20 70 CGIDRO C[C@@H](c1ccc2ccccc2c1)N1CCC[C@@H]([NH3+])C1 ZINC000217500115 296231819 /nfs/dbraw/zinc/23/18/19/296231819.db2.gz BABCLJOAWKHQDX-SUMWQHHRSA-N 1 0 254.377 3.324 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2ccc(O)cc21 ZINC000217768629 376179977 /nfs/dbraw/zinc/17/99/77/376179977.db2.gz SZMICHLXOWWWPG-CXAGYDPISA-N 1 0 276.424 3.090 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)cc1OC ZINC000217885251 376181501 /nfs/dbraw/zinc/18/15/01/376181501.db2.gz PYNPPTSIFMSYOF-AEGPPILISA-N 1 0 293.407 3.312 20 70 CGIDRO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)o1 ZINC000218118134 376184818 /nfs/dbraw/zinc/18/48/18/376184818.db2.gz GNIUMPNSCRORRY-DGCLKSJQSA-N 1 0 294.395 3.017 20 70 CGIDRO Brc1ccc(CC[NH2+]CC2CC2)s1 ZINC000218138584 376185148 /nfs/dbraw/zinc/18/51/48/376185148.db2.gz GCVPQTOLMMSPHO-UHFFFAOYSA-N 1 0 260.200 3.053 20 70 CGIDRO CC(C)Oc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000218117034 376185156 /nfs/dbraw/zinc/18/51/56/376185156.db2.gz QVMRBZNTWHHGBZ-MSOLQXFVSA-N 1 0 288.435 3.190 20 70 CGIDRO C[C@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160871380 542156555 /nfs/dbraw/zinc/15/65/55/542156555.db2.gz ULNLTVWUOWWRDO-YGRLFVJLSA-N 1 0 298.224 3.213 20 70 CGIDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccc2c(c1)OCCO2 ZINC000161280158 542157957 /nfs/dbraw/zinc/15/79/57/542157957.db2.gz NRLMZPAJHWRUPC-MRXNPFEDSA-N 1 0 298.386 3.402 20 70 CGIDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2ccc(F)cc2s1 ZINC000161215269 542157970 /nfs/dbraw/zinc/15/79/70/542157970.db2.gz UGFBNZBKZKGJCW-GFCCVEGCSA-N 1 0 294.395 3.288 20 70 CGIDRO C[C@H](CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161027906 533672119 /nfs/dbraw/zinc/67/21/19/533672119.db2.gz VOEKJCJOSXGLKK-XLNGHYISSA-N 1 0 292.467 3.097 20 70 CGIDRO CCc1ncnc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1F ZINC000217985848 392996389 /nfs/dbraw/zinc/99/63/89/392996389.db2.gz BZGIEPJTRBWKCC-BLLLJJGKSA-N 1 0 294.418 3.101 20 70 CGIDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000218730850 392999301 /nfs/dbraw/zinc/99/93/01/392999301.db2.gz MLBGQFXLJJAMIE-OWCLPIDISA-N 1 0 281.346 3.090 20 70 CGIDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000217605900 287058482 /nfs/dbraw/zinc/05/84/82/287058482.db2.gz RRWBVEZWLOXVGX-LALPHHSUSA-N 1 0 275.396 3.407 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(NC(N)=O)cc1 ZINC000217605994 287067965 /nfs/dbraw/zinc/06/79/65/287067965.db2.gz RRWBVEZWLOXVGX-JMSVASOKSA-N 1 0 275.396 3.407 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(OC(C)C)cc1 ZINC000217389395 270085202 /nfs/dbraw/zinc/08/52/02/270085202.db2.gz WMDUZPNULQCJFZ-OAHLLOKOSA-N 1 0 278.440 3.294 20 70 CGIDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217678395 270085263 /nfs/dbraw/zinc/08/52/63/270085263.db2.gz HXKKLKHUIQDGGZ-NXHRZFHOSA-N 1 0 272.436 3.224 20 70 CGIDRO CCc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])o2)cc1 ZINC000160298558 276686148 /nfs/dbraw/zinc/68/61/48/276686148.db2.gz VFABDYLRQFITAM-OAHLLOKOSA-N 1 0 298.386 3.072 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C12CCCC2 ZINC000159940503 279820699 /nfs/dbraw/zinc/82/06/99/279820699.db2.gz LFBGMZPEGIZZOB-RBSFLKMASA-N 1 0 281.440 3.271 20 70 CGIDRO Cc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159476590 280833949 /nfs/dbraw/zinc/83/39/49/280833949.db2.gz RKYRNDDVDVYYLP-JYJNAYRXSA-N 1 0 257.377 3.042 20 70 CGIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000159693666 302124917 /nfs/dbraw/zinc/12/49/17/302124917.db2.gz WXYLECHYZVPIEA-NVXWUHKLSA-N 1 0 288.435 3.198 20 70 CGIDRO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000159608839 304858399 /nfs/dbraw/zinc/85/83/99/304858399.db2.gz ZTPLCCXOAMJPNP-GXTWGEPZSA-N 1 0 263.406 3.386 20 70 CGIDRO COCC[C@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160832317 321858884 /nfs/dbraw/zinc/85/88/84/321858884.db2.gz KJKLANFKLJJFED-LSDHHAIUSA-N 1 0 294.439 3.410 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000160627136 519903695 /nfs/dbraw/zinc/90/36/95/519903695.db2.gz ASBOKYUUNXSGFY-ZDUSSCGKSA-N 1 0 274.408 3.105 20 70 CGIDRO CC1(C)C[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000160860673 520565926 /nfs/dbraw/zinc/56/59/26/520565926.db2.gz JRRBEYGKJREEEX-INIZCTEOSA-N 1 0 286.419 3.310 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000161412978 523042863 /nfs/dbraw/zinc/04/28/63/523042863.db2.gz DRJMBMAGCKWTIR-IRXDYDNUSA-N 1 0 288.435 3.203 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCOCC(F)(F)F)n1 ZINC000160420513 524896184 /nfs/dbraw/zinc/89/61/84/524896184.db2.gz CDONEUNQUWDHOB-CYBMUJFWSA-N 1 0 288.313 3.106 20 70 CGIDRO CCOCCC[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000160399695 528658954 /nfs/dbraw/zinc/65/89/54/528658954.db2.gz IPEGTLYPABJPBT-OAHLLOKOSA-N 1 0 291.391 3.021 20 70 CGIDRO CC(C)[N@H+](CCOC(C)(C)C)CCc1nccs1 ZINC000159808868 528910370 /nfs/dbraw/zinc/91/03/70/528910370.db2.gz MJPILNVTBWBHDY-UHFFFAOYSA-N 1 0 270.442 3.211 20 70 CGIDRO Cc1noc(C)c1C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159739799 282383656 /nfs/dbraw/zinc/38/36/56/282383656.db2.gz BUBWQWNYFRXBEA-INIZCTEOSA-N 1 0 271.364 3.332 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000159599488 232241221 /nfs/dbraw/zinc/24/12/21/232241221.db2.gz YADZHQWMZISGHS-QGZVFWFLSA-N 1 0 290.357 3.357 20 70 CGIDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160281490 232244386 /nfs/dbraw/zinc/24/43/86/232244386.db2.gz JYHRCMNCFSYWNZ-DOMZBBRYSA-N 1 0 265.372 3.304 20 70 CGIDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2nn(C)c3ccccc23)C1 ZINC000218135105 346292887 /nfs/dbraw/zinc/29/28/87/346292887.db2.gz BMJNUCDHDYHWKO-ZIAGYGMSSA-N 1 0 271.408 3.489 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1(C)C ZINC000217891874 346291789 /nfs/dbraw/zinc/29/17/89/346291789.db2.gz TXMZMXBRQFJCLE-CVEARBPZSA-N 1 0 272.392 3.461 20 70 CGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000160155872 188457805 /nfs/dbraw/zinc/45/78/05/188457805.db2.gz HZNRLFFYDOLXOG-HNNXBMFYSA-N 1 0 296.370 3.042 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000160438460 188472943 /nfs/dbraw/zinc/47/29/43/188472943.db2.gz YBZPXYMORAXGKA-AWEZNQCLSA-N 1 0 258.365 3.215 20 70 CGIDRO CCCCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)cc1 ZINC000161131630 188510193 /nfs/dbraw/zinc/51/01/93/188510193.db2.gz BJSWYGAEJAJGSZ-ZDUSSCGKSA-N 1 0 265.397 3.115 20 70 CGIDRO CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cnn(C)c1 ZINC000161349915 188523353 /nfs/dbraw/zinc/52/33/53/188523353.db2.gz YYHPPZRUWWVEFB-INIZCTEOSA-N 1 0 287.382 3.332 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000159788353 372180334 /nfs/dbraw/zinc/18/03/34/372180334.db2.gz TVZZMDCWINJTOY-CABCVRRESA-N 1 0 299.393 3.459 20 70 CGIDRO CCOc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159475626 372147156 /nfs/dbraw/zinc/14/71/56/372147156.db2.gz SOWKZUNPBFZLQG-ZACQAIPSSA-N 1 0 287.403 3.133 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159542520 372154048 /nfs/dbraw/zinc/15/40/48/372154048.db2.gz LPEOROLKYCDQGR-IMJJTQAJSA-N 1 0 275.367 3.181 20 70 CGIDRO CC(C)c1nc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cs1 ZINC000159553730 372155441 /nfs/dbraw/zinc/15/54/41/372155441.db2.gz ZNQKKUAJOGHBOM-MCIONIFRSA-N 1 0 292.448 3.314 20 70 CGIDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC(C)(C)O ZINC000159623002 372163009 /nfs/dbraw/zinc/16/30/09/372163009.db2.gz WYRDZCYAQQOUSY-OAHLLOKOSA-N 1 0 267.388 3.143 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCc3occc32)cc1 ZINC000159635828 372163381 /nfs/dbraw/zinc/16/33/81/372163381.db2.gz DBHDNJFJEOOLJO-INIZCTEOSA-N 1 0 298.386 3.149 20 70 CGIDRO CSCCC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159712639 372171459 /nfs/dbraw/zinc/17/14/59/372171459.db2.gz FMQQSWGUVUWLRX-CQSZACIVSA-N 1 0 250.411 3.280 20 70 CGIDRO C[N@H+](CCn1ccnc1)Cc1ccccc1C(F)(F)F ZINC000159711254 372172545 /nfs/dbraw/zinc/17/25/45/372172545.db2.gz IPTCAYYNDOQBIY-UHFFFAOYSA-N 1 0 283.297 3.034 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)c(F)c1 ZINC000160074666 372210243 /nfs/dbraw/zinc/21/02/43/372210243.db2.gz BACMMHKKYQECEW-GFCCVEGCSA-N 1 0 281.371 3.038 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2OC)cc1 ZINC000160094439 372213111 /nfs/dbraw/zinc/21/31/11/372213111.db2.gz KVLCDICXPXCMCD-VBNZEHGJSA-N 1 0 263.381 3.303 20 70 CGIDRO CC[C@H]([NH2+]CC1(CO)CCCC1)c1ccc(OC)cc1 ZINC000160118651 372214919 /nfs/dbraw/zinc/21/49/19/372214919.db2.gz XSFJULAVNISIEC-INIZCTEOSA-N 1 0 277.408 3.289 20 70 CGIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1(C)CC1 ZINC000160137173 372216042 /nfs/dbraw/zinc/21/60/42/372216042.db2.gz VORVMHJJAZYWCS-CYBMUJFWSA-N 1 0 264.388 3.036 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000160153844 372217765 /nfs/dbraw/zinc/21/77/65/372217765.db2.gz KWMKWXOBHNWMSB-KOLCDFICSA-N 1 0 291.288 3.359 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1ccccc1 ZINC000160157114 372218858 /nfs/dbraw/zinc/21/88/58/372218858.db2.gz OSGKUNZRCXNAGJ-PBHICJAKSA-N 1 0 286.419 3.271 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc(C)sc1C ZINC000160181399 372222845 /nfs/dbraw/zinc/22/28/45/372222845.db2.gz DASFUPJPJNDKJS-PWSUYJOCSA-N 1 0 273.467 3.130 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cc2c(s1)CCCC2 ZINC000160240596 372229823 /nfs/dbraw/zinc/22/98/23/372229823.db2.gz WIHWFTPNBXUXLD-YPMHNXCESA-N 1 0 299.505 3.392 20 70 CGIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1cccs1 ZINC000160247708 372229893 /nfs/dbraw/zinc/22/98/93/372229893.db2.gz COHLDJHDYPBXJG-KBPBESRZSA-N 1 0 294.464 3.232 20 70 CGIDRO CC(C)C[C@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccco1 ZINC000160325452 372237182 /nfs/dbraw/zinc/23/71/82/372237182.db2.gz JXQUQPAQSMXVFB-CVEARBPZSA-N 1 0 295.423 3.058 20 70 CGIDRO Cc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160341141 372238910 /nfs/dbraw/zinc/23/89/10/372238910.db2.gz IMMZDYXMSYKPQD-SFHVURJKSA-N 1 0 294.398 3.112 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)cc1 ZINC000159855031 372186211 /nfs/dbraw/zinc/18/62/11/372186211.db2.gz FBIBECOKPVDGHM-UHFFFAOYSA-N 1 0 285.343 3.056 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOC(C)(C)C)n1 ZINC000159842079 372187195 /nfs/dbraw/zinc/18/71/95/372187195.db2.gz IZPDSJBKULLAGD-HNNXBMFYSA-N 1 0 262.397 3.342 20 70 CGIDRO C[C@@](O)(C[NH2+][C@@H]1CCc2cc(F)ccc21)c1ccsc1 ZINC000159871714 372188715 /nfs/dbraw/zinc/18/87/15/372188715.db2.gz HVZAXYVJBWLNFH-HZPDHXFCSA-N 1 0 291.391 3.372 20 70 CGIDRO Cc1cccc([C@@H](C)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000159897549 372192940 /nfs/dbraw/zinc/19/29/40/372192940.db2.gz VZYBKLUUKLDWSF-JKSUJKDBSA-N 1 0 288.435 3.089 20 70 CGIDRO Clc1cc(N2CCc3c[nH+]ccc32)nc(C2CC2)n1 ZINC000160370828 372241287 /nfs/dbraw/zinc/24/12/87/372241287.db2.gz CWIXWGJKRGFBAK-UHFFFAOYSA-N 1 0 272.739 3.097 20 70 CGIDRO CC(C)[NH+](CCSCc1ccc(C(N)=O)cc1)C(C)C ZINC000161017593 372294581 /nfs/dbraw/zinc/29/45/81/372294581.db2.gz IYWKHJSRPSXTRH-UHFFFAOYSA-N 1 0 294.464 3.138 20 70 CGIDRO COCC[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161038110 372296445 /nfs/dbraw/zinc/29/64/45/372296445.db2.gz BMYMPXSYWXMLRJ-DYVFJYSZSA-N 1 0 293.407 3.170 20 70 CGIDRO COc1ccccc1[C@H](C)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161055374 372298673 /nfs/dbraw/zinc/29/86/73/372298673.db2.gz ARSNRRJLBKMKHQ-KKUMJFAQSA-N 1 0 276.424 3.219 20 70 CGIDRO CCc1oc(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC000160458562 372248601 /nfs/dbraw/zinc/24/86/01/372248601.db2.gz BDPGZUYQDDTFOG-CQSZACIVSA-N 1 0 292.423 3.001 20 70 CGIDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000160465978 372249690 /nfs/dbraw/zinc/24/96/90/372249690.db2.gz KDLMHDFPPFWNNS-GJZGRUSLSA-N 1 0 292.448 3.409 20 70 CGIDRO CC(C)Cc1ncc(C[NH2+][C@H]2CCOC(C)(C)C2)s1 ZINC000160563404 372257448 /nfs/dbraw/zinc/25/74/48/372257448.db2.gz UXIHPXXVKRWHAV-LBPRGKRZSA-N 1 0 282.453 3.389 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCO1 ZINC000160562103 372257476 /nfs/dbraw/zinc/25/74/76/372257476.db2.gz BGBICACBSSKXMJ-AWEZNQCLSA-N 1 0 285.391 3.124 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cc(F)c(F)cc2F)CCO1 ZINC000160561717 372258170 /nfs/dbraw/zinc/25/81/70/372258170.db2.gz SKFBCUJMJGTOAE-SNVBAGLBSA-N 1 0 273.298 3.151 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)o1 ZINC000160656856 372266124 /nfs/dbraw/zinc/26/61/24/372266124.db2.gz PFAUQXISEAEVDM-SCRDCRAPSA-N 1 0 251.370 3.044 20 70 CGIDRO CC[C@@H](NC(=O)CCCCCC[NH3+])c1cc(F)ccc1F ZINC000160656905 372266508 /nfs/dbraw/zinc/26/65/08/372266508.db2.gz QBUCIWMMMVSBKX-OAHLLOKOSA-N 1 0 298.377 3.441 20 70 CGIDRO CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(F)cc1F ZINC000160820096 372279509 /nfs/dbraw/zinc/27/95/09/372279509.db2.gz ALSMMTLMQIURQA-YGRLFVJLSA-N 1 0 255.308 3.042 20 70 CGIDRO Cc1ccc([C@@H](C)N(C)CCCS(=O)(=O)C(C)C)cc1 ZINC000160870825 372283296 /nfs/dbraw/zinc/28/32/96/372283296.db2.gz BQIITGYLEMCLOJ-OAHLLOKOSA-N 1 0 297.464 3.201 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000161223101 372311329 /nfs/dbraw/zinc/31/13/29/372311329.db2.gz SMQPDHJQFQVRCY-JKSUJKDBSA-N 1 0 288.435 3.204 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(c2ccc(F)cc2)CC1 ZINC000161379802 372319444 /nfs/dbraw/zinc/31/94/44/372319444.db2.gz HRDWAKZYHRLSEB-INIZCTEOSA-N 1 0 299.393 3.258 20 70 CGIDRO CC[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000161371493 372320467 /nfs/dbraw/zinc/32/04/67/372320467.db2.gz CXMXSOYOHUOPMV-BBRMVZONSA-N 1 0 277.383 3.262 20 70 CGIDRO CC[C@H]([NH2+]CCCc1cccc(F)c1)[C@H]1CCOC1 ZINC000159796919 321841113 /nfs/dbraw/zinc/84/11/13/321841113.db2.gz PBASLEPGEWHASW-HOCLYGCPSA-N 1 0 265.372 3.163 20 70 CGIDRO CC[N@H+](CCc1nccs1)Cc1ccc(F)cc1F ZINC000159373790 542148746 /nfs/dbraw/zinc/14/87/46/542148746.db2.gz VOZYOQMZATZRHV-UHFFFAOYSA-N 1 0 282.359 3.486 20 70 CGIDRO C[C@@H](Cc1cccs1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160975202 542157195 /nfs/dbraw/zinc/15/71/95/542157195.db2.gz MWSWJKOKIZPIRW-SMDDNHRTSA-N 1 0 288.416 3.035 20 70 CGIDRO CCC[C@H](CC1CCCC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161267533 542157853 /nfs/dbraw/zinc/15/78/53/542157853.db2.gz NSQVCJOOVTUOOU-PMPSAXMXSA-N 1 0 280.456 3.369 20 70 CGIDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2ccc(F)cc2s1 ZINC000161215148 542158021 /nfs/dbraw/zinc/15/80/21/542158021.db2.gz UGFBNZBKZKGJCW-LBPRGKRZSA-N 1 0 294.395 3.288 20 70 CGIDRO COC(C[N@@H+]1CCCC[C@H]1c1ccc(C)cc1)OC ZINC000161234498 292079059 /nfs/dbraw/zinc/07/90/59/292079059.db2.gz YGPWPIVKVVBLCB-HNNXBMFYSA-N 1 0 263.381 3.141 20 70 CGIDRO C(CN1CCC[C@@H]2CCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161377931 275391135 /nfs/dbraw/zinc/39/11/35/275391135.db2.gz LPUOVRWECJGQHX-HOTGVXAUSA-N 1 0 250.430 3.127 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2OC)cc1 ZINC000160080953 277425869 /nfs/dbraw/zinc/42/58/69/277425869.db2.gz KVLCDICXPXCMCD-DAXOMENPSA-N 1 0 263.381 3.303 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1 ZINC000160310232 277931469 /nfs/dbraw/zinc/93/14/69/277931469.db2.gz WITLAQFFODSSDJ-WFASDCNBSA-N 1 0 263.381 3.303 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000161009063 279497996 /nfs/dbraw/zinc/49/79/96/279497996.db2.gz LPFLHDUTRMZDLR-IRXDYDNUSA-N 1 0 292.467 3.051 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)[C@@H](C)C1CCCCC1)CC2 ZINC000160441681 293543346 /nfs/dbraw/zinc/54/33/46/293543346.db2.gz BQENCKNXTBQGPR-WWGRRREGSA-N 1 0 290.455 3.096 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@@H](C)[NH3+])[C@H]1CCC[C@H](C)C1 ZINC000159687849 302195797 /nfs/dbraw/zinc/19/57/97/302195797.db2.gz FOTRFUYDDSBBKO-PWXKEOIMSA-N 1 0 288.435 3.326 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Cl ZINC000159978896 321844580 /nfs/dbraw/zinc/84/45/80/321844580.db2.gz QDHRDGUOJCDVBF-GFCCVEGCSA-N 1 0 282.815 3.153 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)COCc1ccccc1 ZINC000161315463 321865759 /nfs/dbraw/zinc/86/57/59/321865759.db2.gz PHKNNEDZLWMLMS-HOTGVXAUSA-N 1 0 291.435 3.244 20 70 CGIDRO Cc1ccc(C)c([C@H](C)N(C)C(=O)CC[NH2+]C(C)C)c1 ZINC000161307377 321866050 /nfs/dbraw/zinc/86/60/50/321866050.db2.gz ULCHECRWQWZFMF-HNNXBMFYSA-N 1 0 276.424 3.211 20 70 CGIDRO COC[C@H]([NH2+]C[C@H](C)COCc1ccccc1)C(C)C ZINC000161307906 321866207 /nfs/dbraw/zinc/86/62/07/321866207.db2.gz XKGANAGHGNJJOF-RDJZCZTQSA-N 1 0 279.424 3.100 20 70 CGIDRO CCCCC[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161445446 520276434 /nfs/dbraw/zinc/27/64/34/520276434.db2.gz UFLZCHLQJRMYOA-JZWPEALZSA-N 1 0 280.456 3.334 20 70 CGIDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cnc3ccccn23)C1 ZINC000160879684 521726978 /nfs/dbraw/zinc/72/69/78/521726978.db2.gz WHRSHVDZHDFYOC-UKRRQHHQSA-N 1 0 289.448 3.440 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160789764 526609481 /nfs/dbraw/zinc/60/94/81/526609481.db2.gz DNNSBZOSINGDGH-HIFRSBDPSA-N 1 0 255.365 3.099 20 70 CGIDRO Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCc3ccccc32)c(C)n1 ZINC000160970766 527308040 /nfs/dbraw/zinc/30/80/40/527308040.db2.gz LJTANHGQIMEIGJ-LRDDRELGSA-N 1 0 281.403 3.474 20 70 CGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCc2ccccc21 ZINC000161006224 527577856 /nfs/dbraw/zinc/57/78/56/527577856.db2.gz NCABOFDQVJZGCC-PBHICJAKSA-N 1 0 281.403 3.117 20 70 CGIDRO CCCC[C@@H](CCC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159947637 528791021 /nfs/dbraw/zinc/79/10/21/528791021.db2.gz FIIUCRQFLVGGAG-OAHLLOKOSA-N 1 0 283.460 3.083 20 70 CGIDRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCc3ccccc3C2)O1 ZINC000160270773 529025097 /nfs/dbraw/zinc/02/50/97/529025097.db2.gz ACNDCFSSOGHNIU-HOTGVXAUSA-N 1 0 259.393 3.091 20 70 CGIDRO Cc1c(C[NH2+]Cc2ccc3ccccc3c2)cnn1C ZINC000161044239 232247209 /nfs/dbraw/zinc/24/72/09/232247209.db2.gz IICMIQRIDABPHJ-UHFFFAOYSA-N 1 0 265.360 3.172 20 70 CGIDRO CCCCCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000160691355 346172311 /nfs/dbraw/zinc/17/23/11/346172311.db2.gz ZLPQAVOCBUTGQN-INIZCTEOSA-N 1 0 295.471 3.081 20 70 CGIDRO CCCCCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)C(C)C ZINC000160691204 346172494 /nfs/dbraw/zinc/17/24/94/346172494.db2.gz ZLPQAVOCBUTGQN-MRXNPFEDSA-N 1 0 295.471 3.081 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2F)C1(C)C ZINC000217901587 346291482 /nfs/dbraw/zinc/29/14/82/346291482.db2.gz GODVSDLYNRIAQT-OLZOCXBDSA-N 1 0 269.335 3.258 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000159781585 188440873 /nfs/dbraw/zinc/44/08/73/188440873.db2.gz HBDRCDHCJJYYAE-VYDXJSESSA-N 1 0 288.435 3.150 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000160482702 188475786 /nfs/dbraw/zinc/47/57/86/188475786.db2.gz HAQUJKNZGZOARB-LBPRGKRZSA-N 1 0 288.391 3.170 20 70 CGIDRO Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000160554462 188480240 /nfs/dbraw/zinc/48/02/40/188480240.db2.gz PGGWWKGKQBDGKJ-INIZCTEOSA-N 1 0 299.418 3.432 20 70 CGIDRO CC(C)C[C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000161471704 188530354 /nfs/dbraw/zinc/53/03/54/188530354.db2.gz XZQKVSJQVPEIFS-OAHLLOKOSA-N 1 0 268.445 3.180 20 70 CGIDRO CCOc1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000159382084 372137637 /nfs/dbraw/zinc/13/76/37/372137637.db2.gz GKPCCUCOWMAJLL-INIZCTEOSA-N 1 0 273.380 3.060 20 70 CGIDRO C[N@@H+](Cc1ncc(-c2ccccc2F)o1)CC1CC1 ZINC000159387274 372138113 /nfs/dbraw/zinc/13/81/13/372138113.db2.gz ZCQPFONYNYYAFA-UHFFFAOYSA-N 1 0 260.312 3.323 20 70 CGIDRO COc1cc(C[N@H+](C)CCc2ccccc2F)ccc1O ZINC000159548783 372154140 /nfs/dbraw/zinc/15/41/40/372154140.db2.gz WGTUAILSXLHKLR-UHFFFAOYSA-N 1 0 289.350 3.214 20 70 CGIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCCSC1)CCC2 ZINC000159619689 372160940 /nfs/dbraw/zinc/16/09/40/372160940.db2.gz PYIPMHCGDRCGQQ-PWSUYJOCSA-N 1 0 268.451 3.314 20 70 CGIDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1NC(C)=O ZINC000160135908 372215995 /nfs/dbraw/zinc/21/59/95/372215995.db2.gz VYYBZBJYMLNHEC-QWRGUYRKSA-N 1 0 276.380 3.103 20 70 CGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC000160128597 372216713 /nfs/dbraw/zinc/21/67/13/372216713.db2.gz NMWMMGNZFATYSM-HNNXBMFYSA-N 1 0 280.456 3.051 20 70 CGIDRO CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccco2)[C@H](C)C1 ZINC000160172564 372220474 /nfs/dbraw/zinc/22/04/74/372220474.db2.gz WVXVXZNAYDPYFB-PMPSAXMXSA-N 1 0 294.439 3.067 20 70 CGIDRO CC(C)n1cc([C@H](C)NCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000160280116 372233967 /nfs/dbraw/zinc/23/39/67/372233967.db2.gz SBUXWDPIUFTGNO-CVEARBPZSA-N 1 0 292.471 3.379 20 70 CGIDRO CC(C)N(CCc1nccs1)Cc1nccs1 ZINC000159958186 372197845 /nfs/dbraw/zinc/19/78/45/372197845.db2.gz HLHUMLITKLSVFP-UHFFFAOYSA-N 1 0 267.423 3.053 20 70 CGIDRO CCOCCC1(C[NH2+][C@@H](C)c2cccnc2)CCC1 ZINC000159978572 372200270 /nfs/dbraw/zinc/20/02/70/372200270.db2.gz CNPBJVAHVSXJGP-AWEZNQCLSA-N 1 0 262.397 3.329 20 70 CGIDRO C[C@@H](CCc1ccco1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159976543 372200726 /nfs/dbraw/zinc/20/07/26/372200726.db2.gz RNXVBQCPRHBCIN-WFASDCNBSA-N 1 0 279.405 3.160 20 70 CGIDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC1(C)C ZINC000160943501 372290739 /nfs/dbraw/zinc/29/07/39/372290739.db2.gz GALRRTOZNNRSQP-ZDUSSCGKSA-N 1 0 260.381 3.041 20 70 CGIDRO C[C@H](C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21)c1ccccc1 ZINC000160962715 372291391 /nfs/dbraw/zinc/29/13/91/372291391.db2.gz NGUULCOWTGMCHQ-CJNGLKHVSA-N 1 0 282.387 3.146 20 70 CGIDRO C[C@H](CCc1ccco1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161009569 372293862 /nfs/dbraw/zinc/29/38/62/372293862.db2.gz IAPUNRRYCQLFQT-RHSMWYFYSA-N 1 0 273.376 3.314 20 70 CGIDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160497404 372251273 /nfs/dbraw/zinc/25/12/73/372251273.db2.gz CAWGTGOGJAHGMX-PVAVHDDUSA-N 1 0 289.419 3.349 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000160521720 372254543 /nfs/dbraw/zinc/25/45/43/372254543.db2.gz LIDVXGIAERZHPC-KGLIPLIRSA-N 1 0 294.443 3.159 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCCc1cccs1 ZINC000160585987 372261241 /nfs/dbraw/zinc/26/12/41/372261241.db2.gz DSSMAPSGNWQYAM-KGLIPLIRSA-N 1 0 296.480 3.163 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1OC(F)F ZINC000160639177 372265181 /nfs/dbraw/zinc/26/51/81/372265181.db2.gz UDMVBRMUXGMREW-MRVPVSSYSA-N 1 0 293.741 3.363 20 70 CGIDRO Fc1cc(Cl)ccc1CNC1CC[NH+](C2CC2)CC1 ZINC000160760753 372273822 /nfs/dbraw/zinc/27/38/22/372273822.db2.gz VNTFYAMOJWYLKX-UHFFFAOYSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1n[nH]cc1C[N@@H+](C)Cc1ccc(Br)cc1 ZINC000160804527 372276875 /nfs/dbraw/zinc/27/68/75/372276875.db2.gz PLISPTSPGAJVCS-UHFFFAOYSA-N 1 0 294.196 3.113 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccn2)C12CCC2 ZINC000160832777 372278950 /nfs/dbraw/zinc/27/89/50/372278950.db2.gz UWJVLICHGSEJOZ-VHDGCEQUSA-N 1 0 260.381 3.080 20 70 CGIDRO CSCC[C@H](C)N(C)Cc1noc(-c2ccsc2)n1 ZINC000160892168 372285962 /nfs/dbraw/zinc/28/59/62/372285962.db2.gz WWALGIOOPFGNIN-JTQLQIEISA-N 1 0 297.449 3.372 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)C2CC2)c1 ZINC000161136447 372304479 /nfs/dbraw/zinc/30/44/79/372304479.db2.gz VILGSRIAANAANN-GUYCJALGSA-N 1 0 288.435 3.493 20 70 CGIDRO CN(Cc1ccc(CO)o1)Cc1cccc(Cl)c1 ZINC000161131485 372304513 /nfs/dbraw/zinc/30/45/13/372304513.db2.gz WSMRABCYZOMBBX-UHFFFAOYSA-N 1 0 265.740 3.057 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000161145303 372305385 /nfs/dbraw/zinc/30/53/85/372305385.db2.gz ALBQLMAPFNMYCN-CYBMUJFWSA-N 1 0 299.370 3.317 20 70 CGIDRO C[C@H](CCC(C)(C)C)NC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000161230643 372311138 /nfs/dbraw/zinc/31/11/38/372311138.db2.gz JZRLBZQNGZUOBV-OCCSQVGLSA-N 1 0 262.397 3.017 20 70 CGIDRO CCOc1ccc(C[N@H+](CC)CCCn2ccnc2)cc1 ZINC000161246811 372312838 /nfs/dbraw/zinc/31/28/38/372312838.db2.gz YNYUGGSRWSJQHT-UHFFFAOYSA-N 1 0 287.407 3.194 20 70 CGIDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000161244695 372313157 /nfs/dbraw/zinc/31/31/57/372313157.db2.gz YZGBCRNIEQUFAD-CQSZACIVSA-N 1 0 299.418 3.440 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H](C)CSC(C)(C)C)cn1 ZINC000161291549 372314515 /nfs/dbraw/zinc/31/45/15/372314515.db2.gz IYKORIVSQFIEDN-LBPRGKRZSA-N 1 0 252.427 3.400 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1NCc1noc(C(C)(C)C)n1 ZINC000161433546 372322889 /nfs/dbraw/zinc/32/28/89/372322889.db2.gz LHUBTFIMHASTON-NEPJUHHUSA-N 1 0 265.401 3.426 20 70 CGIDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000161479853 372327826 /nfs/dbraw/zinc/32/78/26/372327826.db2.gz VNQCNNNUMDJNMV-CABZTGNLSA-N 1 0 259.752 3.291 20 70 CGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccs1 ZINC000161125341 372303554 /nfs/dbraw/zinc/30/35/54/372303554.db2.gz VHNUHZJNVAVXKT-NSHDSACASA-N 1 0 275.373 3.370 20 70 CGIDRO CCCCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)cc1 ZINC000161131489 372303803 /nfs/dbraw/zinc/30/38/03/372303803.db2.gz BJSWYGAEJAJGSZ-CYBMUJFWSA-N 1 0 265.397 3.115 20 70 CGIDRO CC[NH+](CC)CCCNC(=O)Nc1ccc(C)c(C)c1 ZINC000217310733 376172913 /nfs/dbraw/zinc/17/29/13/376172913.db2.gz DTJYTNLUQIUJAC-UHFFFAOYSA-N 1 0 277.412 3.157 20 70 CGIDRO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000217611141 376176008 /nfs/dbraw/zinc/17/60/08/376176008.db2.gz NYYGHBMGIISFCN-STQMWFEESA-N 1 0 261.365 3.094 20 70 CGIDRO CN(C)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cn1 ZINC000159567103 542149259 /nfs/dbraw/zinc/14/92/59/542149259.db2.gz ROYVPQPBYHJBIO-UHFFFAOYSA-N 1 0 289.810 3.133 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160183822 542152735 /nfs/dbraw/zinc/15/27/35/542152735.db2.gz LUWJHHMTNFLNMM-AWEZNQCLSA-N 1 0 257.381 3.452 20 70 CGIDRO COC[C@H]([NH2+]CC1(Sc2ccccc2)CC1)C1CC1 ZINC000160510105 542155425 /nfs/dbraw/zinc/15/54/25/542155425.db2.gz UQAUZAZMCKYLPA-HNNXBMFYSA-N 1 0 277.433 3.326 20 70 CGIDRO Cc1cc2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)oc2cc1C ZINC000161447856 542159032 /nfs/dbraw/zinc/15/90/32/542159032.db2.gz ZXNLHVKIXXBZPE-KGLIPLIRSA-N 1 0 286.375 3.049 20 70 CGIDRO [NH3+]C1(CC(=O)N(CC2CCC2)c2ccccc2)CCC1 ZINC000161439063 542158900 /nfs/dbraw/zinc/15/89/00/542158900.db2.gz KYFJBVDWWRINGD-UHFFFAOYSA-N 1 0 272.392 3.091 20 70 CGIDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000217951524 392995812 /nfs/dbraw/zinc/99/58/12/392995812.db2.gz HQMQUNBVDHUSKB-AFAVFJNCSA-N 1 0 290.407 3.253 20 70 CGIDRO Cc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217678985 292248309 /nfs/dbraw/zinc/24/83/09/292248309.db2.gz RKQHXNIECJWZDH-XIRDDKMYSA-N 1 0 258.409 3.272 20 70 CGIDRO COc1cccc(Cl)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000218146091 287628475 /nfs/dbraw/zinc/62/84/75/287628475.db2.gz LVHPOPCOFRUBAK-QWRGUYRKSA-N 1 0 283.799 3.394 20 70 CGIDRO Clc1ccc(CC[NH2+]Cc2cn3ccccc3n2)s1 ZINC000218242033 270085496 /nfs/dbraw/zinc/08/54/96/270085496.db2.gz YWKPAMSCCUZPBJ-UHFFFAOYSA-N 1 0 291.807 3.382 20 70 CGIDRO CC1(O)CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000161223154 276171109 /nfs/dbraw/zinc/17/11/09/276171109.db2.gz KAPXGKOPHOFOAA-UHFFFAOYSA-N 1 0 277.452 3.440 20 70 CGIDRO CC[C@@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1F ZINC000159727512 280181235 /nfs/dbraw/zinc/18/12/35/280181235.db2.gz AYVLEHFBMSYGIZ-ITDIGPHOSA-N 1 0 296.361 3.050 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](Cc1ccc(F)cc1)C(C)C ZINC000160279171 295622911 /nfs/dbraw/zinc/62/29/11/295622911.db2.gz GEWWQTLFNJEYHO-HOTGVXAUSA-N 1 0 299.455 3.096 20 70 CGIDRO Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCCO2 ZINC000160554774 301904463 /nfs/dbraw/zinc/90/44/63/301904463.db2.gz BKHCTEVNDXXUNN-PVAVHDDUSA-N 1 0 289.419 3.349 20 70 CGIDRO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCCSC2)cn1 ZINC000159640342 321838042 /nfs/dbraw/zinc/83/80/42/321838042.db2.gz DUUCOPYVURJWQW-WCQYABFASA-N 1 0 253.415 3.010 20 70 CGIDRO COc1cc2c(cc1C[NH2+]C1(C)CCC1)O[C@@H](C)C2 ZINC000159928005 321843799 /nfs/dbraw/zinc/84/37/99/321843799.db2.gz YMJJQCQGSDBXQN-NSHDSACASA-N 1 0 261.365 3.051 20 70 CGIDRO CC[NH+](CC)[C@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC000160066091 321845783 /nfs/dbraw/zinc/84/57/83/321845783.db2.gz IIFGZTCUYNPDNQ-LRFDDAOPSA-N 1 0 288.435 3.327 20 70 CGIDRO CC(C)(O)C[NH2+][C@@H]1CCC[C@H]1CCc1ccccc1 ZINC000160652541 321855767 /nfs/dbraw/zinc/85/57/67/321855767.db2.gz CIKQNZHMZQZUCZ-JKSUJKDBSA-N 1 0 261.409 3.148 20 70 CGIDRO CC[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Cl)ccc1OC ZINC000161437760 522813326 /nfs/dbraw/zinc/81/33/26/522813326.db2.gz BJTYSHNLFQQBMB-OAHLLOKOSA-N 1 0 296.842 3.484 20 70 CGIDRO Cc1ncc(C[NH2+][C@H]2CCOC(C)(C)C2)n1-c1ccccc1 ZINC000160528436 534747060 /nfs/dbraw/zinc/74/70/60/534747060.db2.gz YWRNETGYBYIWNZ-HNNXBMFYSA-N 1 0 299.418 3.228 20 70 CGIDRO COCCOCCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160984591 523991823 /nfs/dbraw/zinc/99/18/23/523991823.db2.gz CJWUBHMBBYTZHS-UHFFFAOYSA-N 1 0 289.778 3.012 20 70 CGIDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160541645 524005051 /nfs/dbraw/zinc/00/50/51/524005051.db2.gz DKIQMNNBFRFOQH-AWEZNQCLSA-N 1 0 261.413 3.350 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)s1 ZINC000160409188 524027636 /nfs/dbraw/zinc/02/76/36/524027636.db2.gz LQIXCQWRSPEUQE-MNOVXSKESA-N 1 0 273.467 3.075 20 70 CGIDRO Fc1cc(Cl)cc(CNCCC[NH+]2CCCCC2)c1 ZINC000160817007 526299842 /nfs/dbraw/zinc/29/98/42/526299842.db2.gz VBPGSZLOGKIMFN-UHFFFAOYSA-N 1 0 284.806 3.445 20 70 CGIDRO c1sc(C2CC2)nc1CN1CC[NH+](C2CCCC2)CC1 ZINC000161373822 526631106 /nfs/dbraw/zinc/63/11/06/526631106.db2.gz IJOGJFMHEIXCSA-UHFFFAOYSA-N 1 0 291.464 3.081 20 70 CGIDRO CC(C)(C[NH3+])C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000161334508 527068908 /nfs/dbraw/zinc/06/89/08/527068908.db2.gz KBQOXMMHTQJZGG-UHFFFAOYSA-N 1 0 294.370 3.071 20 70 CGIDRO CC(C)([NH3+])CNC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000160095119 527245262 /nfs/dbraw/zinc/24/52/62/527245262.db2.gz RYETUNMAIUTXSW-UHFFFAOYSA-N 1 0 290.451 3.160 20 70 CGIDRO OC[C@@H]([NH2+]Cc1coc2ccccc12)c1ccccc1 ZINC000161103155 527583736 /nfs/dbraw/zinc/58/37/36/527583736.db2.gz KNMGKSLEFLCJFL-MRXNPFEDSA-N 1 0 267.328 3.256 20 70 CGIDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000160301127 527765037 /nfs/dbraw/zinc/76/50/37/527765037.db2.gz GJICRBYSRQSLFN-ZIAGYGMSSA-N 1 0 272.396 3.034 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)C(C)(C)C)c1 ZINC000160626891 528463125 /nfs/dbraw/zinc/46/31/25/528463125.db2.gz GJYFPTSORMNMME-ZDUSSCGKSA-N 1 0 276.424 3.351 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(OC)c(F)c1 ZINC000160080503 529343994 /nfs/dbraw/zinc/34/39/94/529343994.db2.gz IBFWJDOTCORTIG-OLZOCXBDSA-N 1 0 282.403 3.215 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)CCC2 ZINC000217625055 572395497 /nfs/dbraw/zinc/39/54/97/572395497.db2.gz ASLPWZWRGBLTLZ-JCURWCKSSA-N 1 0 259.393 3.129 20 70 CGIDRO Cc1cccc(CC[C@@H](C)[NH2+]CC2(CO)CCCC2)c1 ZINC000160122857 232243073 /nfs/dbraw/zinc/24/30/73/232243073.db2.gz CVHCLUPRPLEOMP-MRXNPFEDSA-N 1 0 275.436 3.458 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N[C@H](C)CCC1CCCCC1 ZINC000160914926 346172986 /nfs/dbraw/zinc/17/29/86/346172986.db2.gz OWHQTRARIBVDCI-CQSZACIVSA-N 1 0 268.445 3.240 20 70 CGIDRO C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000160014505 188451270 /nfs/dbraw/zinc/45/12/70/188451270.db2.gz JHEIASYAXTUVBF-MLGOLLRUSA-N 1 0 293.407 3.316 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(SCC(F)F)cc1 ZINC000160590342 188481709 /nfs/dbraw/zinc/48/17/09/188481709.db2.gz IRTFTLKPVLBFQS-JTQLQIEISA-N 1 0 289.391 3.465 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N1CCSC2(CCCCC2)C1 ZINC000161248092 188517611 /nfs/dbraw/zinc/51/76/11/188517611.db2.gz JUXCZNQJHLQDTM-UHFFFAOYSA-N 1 0 298.496 3.030 20 70 CGIDRO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161482273 188530537 /nfs/dbraw/zinc/53/05/37/188530537.db2.gz YQQBIYXUFMRHJK-ZFWWWQNUSA-N 1 0 275.417 3.483 20 70 CGIDRO Cc1nccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000159783187 372180226 /nfs/dbraw/zinc/18/02/26/372180226.db2.gz BSMVIEBNYCTMIF-QGZVFWFLSA-N 1 0 269.392 3.071 20 70 CGIDRO C[C@@H]1C[N@H+](Cc2cccc3ccccc32)CC[C@@H]1O ZINC000159469956 372147302 /nfs/dbraw/zinc/14/73/02/372147302.db2.gz TUHUCALVAAKYBR-DYVFJYSZSA-N 1 0 255.361 3.043 20 70 CGIDRO CC[C@@H]([NH2+]CCc1cc(C)cc(C)c1)[C@@H]1CCOC1 ZINC000159498870 372150389 /nfs/dbraw/zinc/15/03/89/372150389.db2.gz HXAFESIJJNBSKZ-IAGOWNOFSA-N 1 0 261.409 3.251 20 70 CGIDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506077 372150820 /nfs/dbraw/zinc/15/08/20/372150820.db2.gz RZCUJCREVFGCRX-ZFWWWQNUSA-N 1 0 298.386 3.032 20 70 CGIDRO C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CCCSC1 ZINC000159518003 372152455 /nfs/dbraw/zinc/15/24/55/372152455.db2.gz JKPFASMPMGFWKO-BXUZGUMPSA-N 1 0 296.411 3.028 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+]CC1CCSCC1)CC2 ZINC000159559402 372156110 /nfs/dbraw/zinc/15/61/10/372156110.db2.gz NJWAZKFBBNJQIK-MRXNPFEDSA-N 1 0 291.460 3.285 20 70 CGIDRO CC(C)[C@@H]([NH2+]CCC(C)(C)C)c1nnc2ccccn21 ZINC000159607928 372160870 /nfs/dbraw/zinc/16/08/70/372160870.db2.gz SVSZNWHUFGRJLE-CQSZACIVSA-N 1 0 274.412 3.452 20 70 CGIDRO C[C@H]([NH2+]CCO)c1ccc(-c2ccccc2F)s1 ZINC000159680280 372167877 /nfs/dbraw/zinc/16/78/77/372167877.db2.gz YJSLPHBEYSAEMK-JTQLQIEISA-N 1 0 265.353 3.197 20 70 CGIDRO CC(C)OCCC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000159741340 372176182 /nfs/dbraw/zinc/17/61/82/372176182.db2.gz RQXITVFBFGLSNQ-UHFFFAOYSA-N 1 0 290.451 3.402 20 70 CGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)C1CCCC1 ZINC000160099580 372213244 /nfs/dbraw/zinc/21/32/44/372213244.db2.gz VZTIHESBASRMNR-RISCZKNCSA-N 1 0 253.411 3.124 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000160282369 372233526 /nfs/dbraw/zinc/23/35/26/372233526.db2.gz ZFVYNGHDKQWETE-MFKMUULPSA-N 1 0 273.829 3.105 20 70 CGIDRO CC(C)n1cc([C@H](C)NCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000160280251 372234018 /nfs/dbraw/zinc/23/40/18/372234018.db2.gz SBUXWDPIUFTGNO-HOTGVXAUSA-N 1 0 292.471 3.379 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000160323980 372238037 /nfs/dbraw/zinc/23/80/37/372238037.db2.gz WAJUSBUXIMPIAP-DZGCQCFKSA-N 1 0 297.464 3.238 20 70 CGIDRO C[C@@H]([NH2+]CCCc1cccc(F)c1)C1CCOCC1 ZINC000159820011 372183290 /nfs/dbraw/zinc/18/32/90/372183290.db2.gz WBQRPDRXEFVTBD-CYBMUJFWSA-N 1 0 265.372 3.163 20 70 CGIDRO COc1ccccc1CC[N@H+](C)Cc1cnc2ccccn12 ZINC000159830940 372185224 /nfs/dbraw/zinc/18/52/24/372185224.db2.gz QISFQULYNQMALC-UHFFFAOYSA-N 1 0 295.386 3.017 20 70 CGIDRO Cc1c(C[NH2+]C[C@@H](c2ccccc2)C(C)C)cnn1C ZINC000159851594 372187183 /nfs/dbraw/zinc/18/71/83/372187183.db2.gz LLXGASSOBFMDSM-QGZVFWFLSA-N 1 0 271.408 3.258 20 70 CGIDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908612 372192279 /nfs/dbraw/zinc/19/22/79/372192279.db2.gz ZHHAYXSROZTNHE-ZIAGYGMSSA-N 1 0 292.448 3.116 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000160521828 372253961 /nfs/dbraw/zinc/25/39/61/372253961.db2.gz LIDVXGIAERZHPC-KBPBESRZSA-N 1 0 294.443 3.159 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2csc(C3CC3)n2)CCO1 ZINC000160543318 372255772 /nfs/dbraw/zinc/25/57/72/372255772.db2.gz NFCSGYDVVYAUAQ-LLVKDONJSA-N 1 0 266.410 3.068 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000160575580 372259711 /nfs/dbraw/zinc/25/97/11/372259711.db2.gz JWZJAHJVXUFHQX-KGLIPLIRSA-N 1 0 287.411 3.091 20 70 CGIDRO C[C@H]1C[C@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000160658374 372266520 /nfs/dbraw/zinc/26/65/20/372266520.db2.gz MUSNNEZPNJRIOZ-DZGCQCFKSA-N 1 0 280.456 3.144 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)o1 ZINC000160656726 372267015 /nfs/dbraw/zinc/26/70/15/372267015.db2.gz PFAUQXISEAEVDM-BZPMIXESSA-N 1 0 251.370 3.044 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)cn1 ZINC000160812707 372276591 /nfs/dbraw/zinc/27/65/91/372276591.db2.gz JMHOHANQQXIYOV-PBHICJAKSA-N 1 0 287.407 3.067 20 70 CGIDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160829238 372279586 /nfs/dbraw/zinc/27/95/86/372279586.db2.gz REPUKGUPHWKNPY-CQSZACIVSA-N 1 0 280.456 3.003 20 70 CGIDRO C[C@@H](NC(=O)C1CCC(C)(C)CC1)C(C)(C)C[NH+](C)C ZINC000161114399 372302215 /nfs/dbraw/zinc/30/22/15/372302215.db2.gz APDDQHVGRQIYSH-CYBMUJFWSA-N 1 0 282.472 3.295 20 70 CGIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000161139375 372304093 /nfs/dbraw/zinc/30/40/93/372304093.db2.gz WVUUHHDAANODJG-MRVPVSSYSA-N 1 0 279.277 3.094 20 70 CGIDRO Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000161428378 372324045 /nfs/dbraw/zinc/32/40/45/372324045.db2.gz DSEREDKZRZCJDP-LBPRGKRZSA-N 1 0 298.377 3.341 20 70 CGIDRO CCSc1cccc(C(=O)NCC(C)(C)C[NH+](C)C)c1 ZINC000161141245 372303716 /nfs/dbraw/zinc/30/37/16/372303716.db2.gz MSDWKXNCPDTPBT-UHFFFAOYSA-N 1 0 294.464 3.116 20 70 CGIDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000216933244 376170650 /nfs/dbraw/zinc/17/06/50/376170650.db2.gz FSBVGTICQUBAQH-GXTWGEPZSA-N 1 0 261.365 3.443 20 70 CGIDRO CSc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217633262 376177821 /nfs/dbraw/zinc/17/78/21/376177821.db2.gz ZTYFXNHGVLVJPE-HOTGVXAUSA-N 1 0 276.449 3.125 20 70 CGIDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000217836766 376179814 /nfs/dbraw/zinc/17/98/14/376179814.db2.gz XWPQQYPVBBNLGR-NEPJUHHUSA-N 1 0 279.380 3.030 20 70 CGIDRO CCc1ccc(C[NH2+]Cc2cn3ccccc3n2)s1 ZINC000218215236 376184272 /nfs/dbraw/zinc/18/42/72/376184272.db2.gz BUHPSEJKMZPVOB-UHFFFAOYSA-N 1 0 271.389 3.248 20 70 CGIDRO COc1cc([C@@H](C)NCCC[N@H+](C)C(C)C)ccc1F ZINC000218228655 376186421 /nfs/dbraw/zinc/18/64/21/376186421.db2.gz RQVLQNNYVAMUGB-CYBMUJFWSA-N 1 0 282.403 3.215 20 70 CGIDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000159671016 542150804 /nfs/dbraw/zinc/15/08/04/542150804.db2.gz IQPZTCBDZDSULH-CQSZACIVSA-N 1 0 267.376 3.277 20 70 CGIDRO CCC(C)(CC)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000159477335 542149529 /nfs/dbraw/zinc/14/95/29/542149529.db2.gz YKMOCRMFBRAFJA-AWEZNQCLSA-N 1 0 268.445 3.193 20 70 CGIDRO CC[C@@H]1c2ccccc2CCN1C(=O)c1ccc(C[NH3+])cc1 ZINC000160133023 542152604 /nfs/dbraw/zinc/15/26/04/542152604.db2.gz FLGJOZZWPNCQIN-GOSISDBHSA-N 1 0 294.398 3.295 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)nc1 ZINC000159851959 542151650 /nfs/dbraw/zinc/15/16/50/542151650.db2.gz IDJSBQKXACYLBQ-CABCVRRESA-N 1 0 261.413 3.206 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)c1ccco1)c1ccc([S@](C)=O)cc1 ZINC000160204220 542153983 /nfs/dbraw/zinc/15/39/83/542153983.db2.gz QBXAIQXRPLQNGP-UYSIFFEZSA-N 1 0 277.389 3.429 20 70 CGIDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000160421675 533024391 /nfs/dbraw/zinc/02/43/91/533024391.db2.gz MHHXCQNZUJXMPH-MRXNPFEDSA-N 1 0 275.392 3.259 20 70 CGIDRO CCC[C@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160185046 392582106 /nfs/dbraw/zinc/58/21/06/392582106.db2.gz UWYSVYIDRQKBMT-HOCLYGCPSA-N 1 0 297.464 3.240 20 70 CGIDRO COC[C@@H]([NH2+][C@H]1CCOc2c(Cl)cccc21)C1CC1 ZINC000161293419 397658584 /nfs/dbraw/zinc/65/85/84/397658584.db2.gz YIKFNCQHBLIJKL-UONOGXRCSA-N 1 0 281.783 3.178 20 70 CGIDRO CCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1 ZINC000160296863 276045630 /nfs/dbraw/zinc/04/56/30/276045630.db2.gz VXVWKTKZBDFZRU-HOTGVXAUSA-N 1 0 284.407 3.032 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)NC1CCC(C)CC1 ZINC000218720411 279504192 /nfs/dbraw/zinc/50/41/92/279504192.db2.gz LDUUURGAHNAECK-BEBHXBEKSA-N 1 0 280.456 3.238 20 70 CGIDRO Cc1c(NC(=O)C2(C[NH3+])CCCC2)sc2c1CCCC2 ZINC000160986484 280242210 /nfs/dbraw/zinc/24/22/10/280242210.db2.gz UVTYPPHILBCMOD-UHFFFAOYSA-N 1 0 292.448 3.393 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000160272584 321849391 /nfs/dbraw/zinc/84/93/91/321849391.db2.gz PUNWFMMHCLJTDO-NFAWXSAZSA-N 1 0 273.486 3.295 20 70 CGIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)ccc1SC ZINC000160627577 533897360 /nfs/dbraw/zinc/89/73/60/533897360.db2.gz PDIZQXUWPPBOIL-CYBMUJFWSA-N 1 0 295.448 3.464 20 70 CGIDRO OCC1(C[NH2+]C2CC(c3cccc(F)c3)C2)CCCC1 ZINC000160122672 534345660 /nfs/dbraw/zinc/34/56/60/534345660.db2.gz SLDJUGQRSLZWRB-UHFFFAOYSA-N 1 0 277.383 3.214 20 70 CGIDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000161291533 520627316 /nfs/dbraw/zinc/62/73/16/520627316.db2.gz NUIXYWMRUPWTHI-XHSDSOJGSA-N 1 0 282.472 3.439 20 70 CGIDRO CC1(O)CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000161232235 520773026 /nfs/dbraw/zinc/77/30/26/520773026.db2.gz GYGIQJGMYVFYQP-UHFFFAOYSA-N 1 0 285.387 3.065 20 70 CGIDRO CC[C@H](COC)[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161040324 522265091 /nfs/dbraw/zinc/26/50/91/522265091.db2.gz BAZSQRFZQCCWPT-PBHICJAKSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@H](CNC(=O)[C@H]1CCC[C@H](C)C1)C[NH+]1CCCCC1 ZINC000161212532 524450238 /nfs/dbraw/zinc/45/02/38/524450238.db2.gz RPSIEGSTCSOSFN-XHSDSOJGSA-N 1 0 280.456 3.051 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)O)c1cccc(-c2ccncc2)c1 ZINC000160659574 525310956 /nfs/dbraw/zinc/31/09/56/525310956.db2.gz MGBYASFHUQIWEJ-ZDUSSCGKSA-N 1 0 270.376 3.170 20 70 CGIDRO C[C@@H]([NH2+]CCOc1cccc2ccccc21)c1cnccn1 ZINC000160812588 525455385 /nfs/dbraw/zinc/45/53/85/525455385.db2.gz LYSOFHUJOHOWES-CQSZACIVSA-N 1 0 293.370 3.359 20 70 CGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(F)c1 ZINC000161131460 525562287 /nfs/dbraw/zinc/56/22/87/525562287.db2.gz DBSLORBFQDQLEA-YUTCNCBUSA-N 1 0 282.378 3.488 20 70 CGIDRO O=C(CCC[NH2+][C@H]1CCSC1)Nc1ccc(Cl)cc1 ZINC000160801284 526445747 /nfs/dbraw/zinc/44/57/47/526445747.db2.gz CPJYYLAUANPVID-ZDUSSCGKSA-N 1 0 298.839 3.154 20 70 CGIDRO CC[C@H](CCO)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160153043 529332332 /nfs/dbraw/zinc/33/23/32/529332332.db2.gz LJCPGXJNURGXFL-SNVBAGLBSA-N 1 0 279.277 3.095 20 70 CGIDRO CC(C)CCc1noc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)n1 ZINC000160558885 346171559 /nfs/dbraw/zinc/17/15/59/346171559.db2.gz HMGUISMNPIRCSH-KBPBESRZSA-N 1 0 277.412 3.423 20 70 CGIDRO CCc1ccc([C@H](C)CC(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160440604 188473014 /nfs/dbraw/zinc/47/30/14/188473014.db2.gz MPSFAEDTGWHWCU-CQSZACIVSA-N 1 0 290.451 3.376 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)CSc1cc(C)ccc1C ZINC000160525782 188478080 /nfs/dbraw/zinc/47/80/80/188478080.db2.gz XBSFUFMVVNAKOI-UHFFFAOYSA-N 1 0 294.464 3.029 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CCCCCCC1 ZINC000160957012 188499902 /nfs/dbraw/zinc/49/99/02/188499902.db2.gz FHKSFLMQDCYLPF-HNNXBMFYSA-N 1 0 274.408 3.455 20 70 CGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)c1ccccc1 ZINC000161215242 188515575 /nfs/dbraw/zinc/51/55/75/188515575.db2.gz CKLZIGACMRRGIQ-CQSZACIVSA-N 1 0 286.375 3.059 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)CCC(C)C)o1 ZINC000159432024 372143056 /nfs/dbraw/zinc/14/30/56/372143056.db2.gz GESAFYBJTQDDPM-ZFWWWQNUSA-N 1 0 253.386 3.426 20 70 CGIDRO CCOc1cccc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159493965 372148773 /nfs/dbraw/zinc/14/87/73/372148773.db2.gz JSKLNQKMMYOZLF-IKGGRYGDSA-N 1 0 287.403 3.133 20 70 CGIDRO COCC[C@H](C)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000159553270 372155945 /nfs/dbraw/zinc/15/59/45/372155945.db2.gz LEXDIIYUYZRMOT-XHDPSFHLSA-N 1 0 251.345 3.218 20 70 CGIDRO c1ccc(N2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000159596786 372158671 /nfs/dbraw/zinc/15/86/71/372158671.db2.gz AEIMBDVCJFJEPB-OAHLLOKOSA-N 1 0 276.449 3.141 20 70 CGIDRO CCOC[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000159677410 372167762 /nfs/dbraw/zinc/16/77/62/372167762.db2.gz VRCYKESFRIEUEO-INIZCTEOSA-N 1 0 289.419 3.316 20 70 CGIDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CCO)cc2)c1 ZINC000159721600 372172126 /nfs/dbraw/zinc/17/21/26/372172126.db2.gz MAUXSYIYALTDIO-HNNXBMFYSA-N 1 0 285.387 3.217 20 70 CGIDRO Cc1cc(C)nc(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160224301 372226127 /nfs/dbraw/zinc/22/61/27/372226127.db2.gz HIZHSRSFEGFKOK-SUMWQHHRSA-N 1 0 296.418 3.026 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)OC(C)(C)C)n1 ZINC000160256272 372231033 /nfs/dbraw/zinc/23/10/33/372231033.db2.gz SDTDUJCOBRYXOF-OAHLLOKOSA-N 1 0 290.407 3.259 20 70 CGIDRO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000160326485 372239502 /nfs/dbraw/zinc/23/95/02/372239502.db2.gz TYPLSEMPQPIWCD-STQMWFEESA-N 1 0 263.381 3.303 20 70 CGIDRO CC1(C)C[C@H]([NH2+]C2CC(c3ccccc3)C2)CCO1 ZINC000159971943 372199268 /nfs/dbraw/zinc/19/92/68/372199268.db2.gz NFYXNYUAAQLJJU-HWOWSKLDSA-N 1 0 259.393 3.480 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](COC)C2CC2)cc1OC ZINC000159978648 372200248 /nfs/dbraw/zinc/20/02/48/372200248.db2.gz CFSKSFKGYVVIQV-DOMZBBRYSA-N 1 0 293.407 3.170 20 70 CGIDRO CN(C)c1ccncc1C[NH2+][C@H]1CCCc2sccc21 ZINC000160993815 372293144 /nfs/dbraw/zinc/29/31/44/372293144.db2.gz MOIBMSTVEDDBGQ-AWEZNQCLSA-N 1 0 287.432 3.376 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000161088469 372299859 /nfs/dbraw/zinc/29/98/59/372299859.db2.gz UDJCHVAVHMXIDB-GOEBONIOSA-N 1 0 280.456 3.051 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2c(Cl)nc3ccccn32)CCO1 ZINC000160432634 372246248 /nfs/dbraw/zinc/24/62/48/372246248.db2.gz LUACBMQTYBMZEW-NSHDSACASA-N 1 0 293.798 3.035 20 70 CGIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)(C)C ZINC000160488414 372252245 /nfs/dbraw/zinc/25/22/45/372252245.db2.gz MNAWCJGPJZMSAO-HNNXBMFYSA-N 1 0 290.451 3.043 20 70 CGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000160546532 372255891 /nfs/dbraw/zinc/25/58/91/372255891.db2.gz GONRVGPANQWDLT-OLZOCXBDSA-N 1 0 282.453 3.121 20 70 CGIDRO c1c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)nc2ccccn12 ZINC000160562914 372258109 /nfs/dbraw/zinc/25/81/09/372258109.db2.gz RAJPARREUQCOGB-ZFWWWQNUSA-N 1 0 255.365 3.099 20 70 CGIDRO c1cc(CN2CCC[C@H]2c2nc3ccccc3s2)n[nH]1 ZINC000160721631 372271809 /nfs/dbraw/zinc/27/18/09/372271809.db2.gz QPHSBBRWXGHKAX-ZDUSSCGKSA-N 1 0 284.388 3.357 20 70 CGIDRO CCC(=O)c1cccc(NC(=O)[C@@H]2CCCCN2CC)c1 ZINC000160754931 372273464 /nfs/dbraw/zinc/27/34/64/372273464.db2.gz LYDKPUBPYRIDDS-HNNXBMFYSA-N 1 0 288.391 3.092 20 70 CGIDRO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)C(C)(C)c1ccccc1 ZINC000160763172 372273639 /nfs/dbraw/zinc/27/36/39/372273639.db2.gz WBBFIBXCEMNCEU-HZPDHXFCSA-N 1 0 288.435 3.001 20 70 CGIDRO CCc1cc(=O)[nH]c(CN(C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000160871122 372282750 /nfs/dbraw/zinc/28/27/50/372282750.db2.gz DXQJCKNUQMOVAX-ZDUSSCGKSA-N 1 0 285.391 3.246 20 70 CGIDRO CSCC[C@@H](C)N(C)Cc1noc(-c2ccsc2)n1 ZINC000160892291 372285510 /nfs/dbraw/zinc/28/55/10/372285510.db2.gz WWALGIOOPFGNIN-SNVBAGLBSA-N 1 0 297.449 3.372 20 70 CGIDRO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccccc1 ZINC000161215117 372311549 /nfs/dbraw/zinc/31/15/49/372311549.db2.gz CKLZIGACMRRGIQ-AWEZNQCLSA-N 1 0 286.375 3.059 20 70 CGIDRO CC1(C)CCC[C@@H](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000161292569 372314360 /nfs/dbraw/zinc/31/43/60/372314360.db2.gz SOLLTVOIBUCBGQ-AWEZNQCLSA-N 1 0 292.467 3.336 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(C)c1C(F)(F)F ZINC000161433228 372322961 /nfs/dbraw/zinc/32/29/61/372322961.db2.gz KONUQQJQHLLILA-ZYHUDNBSSA-N 1 0 289.345 3.497 20 70 CGIDRO CC[C@@H]([NH2+]CCn1ccnc1)c1cccc(Cl)c1F ZINC000161495920 372329102 /nfs/dbraw/zinc/32/91/02/372329102.db2.gz UQHUZGACLDEPLE-CYBMUJFWSA-N 1 0 281.762 3.417 20 70 CGIDRO CC(=O)NC1CCC([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000161483064 372329386 /nfs/dbraw/zinc/32/93/86/372329386.db2.gz YTEFYUIYANPFJG-XNGJBWTFSA-N 1 0 280.456 3.240 20 70 CGIDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2nc3ccccc3n2C)C1 ZINC000218133827 376184849 /nfs/dbraw/zinc/18/48/49/376184849.db2.gz RYJVBHJIKYGBKJ-KGLIPLIRSA-N 1 0 271.408 3.489 20 70 CGIDRO COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000218124997 376185049 /nfs/dbraw/zinc/18/50/49/376185049.db2.gz QUQUPNJLLZSQBG-VUCTXSBTSA-N 1 0 292.398 3.112 20 70 CGIDRO Cc1cn2c(C[NH2+][C@@H]3CCOC(C)(C)C3)c(C)nc2s1 ZINC000160478934 542155446 /nfs/dbraw/zinc/15/54/46/542155446.db2.gz HQOALCSMVQZACR-GFCCVEGCSA-N 1 0 293.436 3.060 20 70 CGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000160856045 542156026 /nfs/dbraw/zinc/15/60/26/542156026.db2.gz FRGOCIIGAZHECP-ROUUACIJSA-N 1 0 296.414 3.159 20 70 CGIDRO C[C@@H](c1ccc(Br)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160871256 542156275 /nfs/dbraw/zinc/15/62/75/542156275.db2.gz ULNLTVWUOWWRDO-HZMBPMFUSA-N 1 0 298.224 3.213 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000161043269 542157128 /nfs/dbraw/zinc/15/71/28/542157128.db2.gz FCMYFEHSUUOOIN-XJKSGUPXSA-N 1 0 292.398 3.123 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539825 392581101 /nfs/dbraw/zinc/58/11/01/392581101.db2.gz RGAKDKWHGVPGOX-NHYWBVRUSA-N 1 0 292.398 3.096 20 70 CGIDRO CCC[C@H]([NH2+][C@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160185305 392582501 /nfs/dbraw/zinc/58/25/01/392582501.db2.gz UWYSVYIDRQKBMT-ZBFHGGJFSA-N 1 0 297.464 3.240 20 70 CGIDRO CC(C)C[C@@H]1CCCCN1C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000160875206 392583151 /nfs/dbraw/zinc/58/31/51/392583151.db2.gz ZEYOFDRMHQTHPY-BBWFWOEESA-N 1 0 294.483 3.439 20 70 CGIDRO C[C@@H](CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)[N@H+](C)C1CC1 ZINC000216730026 392992491 /nfs/dbraw/zinc/99/24/91/392992491.db2.gz RDJFICVOSDVNRJ-ILXRZTDVSA-N 1 0 294.483 3.438 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+]Cc1cc(C)c(C)cc1C ZINC000217373745 392993952 /nfs/dbraw/zinc/99/39/52/392993952.db2.gz JAAZZRDRYJLEAO-MRXNPFEDSA-N 1 0 262.441 3.432 20 70 CGIDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)C[C@@H]1C ZINC000161010427 296736932 /nfs/dbraw/zinc/73/69/32/296736932.db2.gz CYDYFBGLKJNLME-UKTARXLSSA-N 1 0 274.408 3.167 20 70 CGIDRO C[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1(C)CC1 ZINC000160137052 165477534 /nfs/dbraw/zinc/47/75/34/165477534.db2.gz VORVMHJJAZYWCS-ZDUSSCGKSA-N 1 0 264.388 3.036 20 70 CGIDRO C[C@@H](O)C[N@H+](C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385338 278393748 /nfs/dbraw/zinc/39/37/48/278393748.db2.gz WHVGRMSKNCMNNB-AMIZOPFISA-N 1 0 274.191 3.293 20 70 CGIDRO COC[C@H](Cc1ccccc1)[NH2+]C[C@@](C)(O)CCC(C)C ZINC000159385489 321833910 /nfs/dbraw/zinc/83/39/10/321833910.db2.gz QFTKZPVZQZNBML-ROUUACIJSA-N 1 0 293.451 3.021 20 70 CGIDRO CC(C)[NH2+]CCC(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159607683 321837464 /nfs/dbraw/zinc/83/74/64/321837464.db2.gz VZNJFWOSDVLZJL-UHFFFAOYSA-N 1 0 290.451 3.247 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Cl ZINC000159978775 321844627 /nfs/dbraw/zinc/84/46/27/321844627.db2.gz QDHRDGUOJCDVBF-LBPRGKRZSA-N 1 0 282.815 3.153 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)C2CC2)c1 ZINC000161136574 321862803 /nfs/dbraw/zinc/86/28/03/321862803.db2.gz VILGSRIAANAANN-CXAGYDPISA-N 1 0 288.435 3.493 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)COCc1ccccc1 ZINC000161315599 321866150 /nfs/dbraw/zinc/86/61/50/321866150.db2.gz PHKNNEDZLWMLMS-CVEARBPZSA-N 1 0 291.435 3.244 20 70 CGIDRO OC[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000161420054 321867242 /nfs/dbraw/zinc/86/72/42/321867242.db2.gz BDIZDCBSMMMQSS-PMACEKPBSA-N 1 0 295.426 3.373 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000160627253 519903014 /nfs/dbraw/zinc/90/30/14/519903014.db2.gz ASBOKYUUNXSGFY-CYBMUJFWSA-N 1 0 274.408 3.105 20 70 CGIDRO CC[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1cnn(C)c1 ZINC000160960819 522867782 /nfs/dbraw/zinc/86/77/82/522867782.db2.gz KMHLZFFNXUXKSW-RHSMWYFYSA-N 1 0 269.392 3.191 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000161117319 524000445 /nfs/dbraw/zinc/00/04/45/524000445.db2.gz LFIYNVCVWHBCRE-KBPBESRZSA-N 1 0 288.435 3.493 20 70 CGIDRO Cc1cccc(C)c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000160411678 524262976 /nfs/dbraw/zinc/26/29/76/524262976.db2.gz MEFLXBBDWDEDBZ-MRXNPFEDSA-N 1 0 272.392 3.289 20 70 CGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH3+])o2)CC[C@@H]1c1ccccc1 ZINC000161234725 524861470 /nfs/dbraw/zinc/86/14/70/524861470.db2.gz BRVHSNXLLHAUJA-CJNGLKHVSA-N 1 0 298.386 3.004 20 70 CGIDRO COc1cccc(CCC[N@@H+]2CCS[C@H](C)C2)c1 ZINC000160582147 525886315 /nfs/dbraw/zinc/88/63/15/525886315.db2.gz XBKUHODREKOKLT-CYBMUJFWSA-N 1 0 265.422 3.065 20 70 CGIDRO CCCCN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H](C)c1ccccc1 ZINC000161356061 528307176 /nfs/dbraw/zinc/30/71/76/528307176.db2.gz OBMJBXNLNYGPIX-DOTOQJQBSA-N 1 0 288.435 3.376 20 70 CGIDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)O1 ZINC000160270590 529024880 /nfs/dbraw/zinc/02/48/80/529024880.db2.gz ACNDCFSSOGHNIU-CVEARBPZSA-N 1 0 259.393 3.091 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000160408558 282089637 /nfs/dbraw/zinc/08/96/37/282089637.db2.gz DSDYUBKSXXZUMG-HNNXBMFYSA-N 1 0 295.390 3.093 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)CC[NH2+]C(C)C)C(C)C ZINC000159689401 346168687 /nfs/dbraw/zinc/16/86/87/346168687.db2.gz DWYKDCKQSIYZLX-QGZVFWFLSA-N 1 0 276.424 3.196 20 70 CGIDRO CC[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1F ZINC000160931338 346173622 /nfs/dbraw/zinc/17/36/22/346173622.db2.gz LOFGHUJZBDEBGO-CJNGLKHVSA-N 1 0 299.361 3.201 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000161047055 346174427 /nfs/dbraw/zinc/17/44/27/346174427.db2.gz VPGNHNTWYRTURJ-BBRMVZONSA-N 1 0 292.398 3.123 20 70 CGIDRO CCCOc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217632679 346290924 /nfs/dbraw/zinc/29/09/24/346290924.db2.gz ILXQLUVIZJKCJZ-ROUUACIJSA-N 1 0 288.435 3.192 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)o1 ZINC000160137056 188456891 /nfs/dbraw/zinc/45/68/91/188456891.db2.gz KDJNLKJCEMDYQD-XHDPSFHLSA-N 1 0 279.405 3.462 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000160153602 188457585 /nfs/dbraw/zinc/45/75/85/188457585.db2.gz KWMKWXOBHNWMSB-MWLCHTKSSA-N 1 0 291.288 3.359 20 70 CGIDRO C[C@@H](CCc1ccco1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159976797 188449253 /nfs/dbraw/zinc/44/92/53/188449253.db2.gz RNXVBQCPRHBCIN-SWLSCSKDSA-N 1 0 279.405 3.160 20 70 CGIDRO CC[C@H](Cc1ccc(C)cc1)N(CC)C(=O)[C@H](C)C[NH2+]C ZINC000161247646 188517215 /nfs/dbraw/zinc/51/72/15/188517215.db2.gz FHXLJQVYNDMKQC-NVXWUHKLSA-N 1 0 290.451 3.020 20 70 CGIDRO Cc1ncsc1CC[NH2+]Cc1cccc2cccnc21 ZINC000159416161 372140834 /nfs/dbraw/zinc/14/08/34/372140834.db2.gz RJCRFIOVSAGTOF-UHFFFAOYSA-N 1 0 283.400 3.332 20 70 CGIDRO CCCCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1(C)C ZINC000159779601 372180294 /nfs/dbraw/zinc/18/02/94/372180294.db2.gz VGDHVDUZIMSQFN-QEJZJMRPSA-N 1 0 277.412 3.111 20 70 CGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(Cl)c1 ZINC000159532685 372151682 /nfs/dbraw/zinc/15/16/82/372151682.db2.gz OQIBSOMDFGUUGV-LLVKDONJSA-N 1 0 298.789 3.142 20 70 CGIDRO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000159608714 372161176 /nfs/dbraw/zinc/16/11/76/372161176.db2.gz ZTPLCCXOAMJPNP-OCCSQVGLSA-N 1 0 263.406 3.386 20 70 CGIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625412 372163429 /nfs/dbraw/zinc/16/34/29/372163429.db2.gz PVCSZNWGISSBTD-NWDGAFQWSA-N 1 0 294.464 3.131 20 70 CGIDRO CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000159667846 372166875 /nfs/dbraw/zinc/16/68/75/372166875.db2.gz ISPDUZXFFMQRQD-HNNXBMFYSA-N 1 0 296.414 3.248 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000159698548 372169581 /nfs/dbraw/zinc/16/95/81/372169581.db2.gz UDVKHQVYNXVJGZ-HNNXBMFYSA-N 1 0 269.392 3.407 20 70 CGIDRO C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC[C@@H]1O ZINC000159751607 372175254 /nfs/dbraw/zinc/17/52/54/372175254.db2.gz YABIXSGNFMXBEU-JSGCOSHPSA-N 1 0 287.325 3.298 20 70 CGIDRO O=C(/C=C/C1CCCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159764257 372177429 /nfs/dbraw/zinc/17/74/29/372177429.db2.gz INWSHULQRYKRLH-CMDGGOBGSA-N 1 0 290.451 3.114 20 70 CGIDRO CC(C)[N@H+](Cc1ccc(CO)o1)C1CCCCC1 ZINC000159770020 372178469 /nfs/dbraw/zinc/17/84/69/372178469.db2.gz MBKQWKFZIBDYQF-UHFFFAOYSA-N 1 0 251.370 3.315 20 70 CGIDRO CCSCC[C@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000160067874 372208834 /nfs/dbraw/zinc/20/88/34/372208834.db2.gz RLOJBCKPHOYDKG-NSHDSACASA-N 1 0 299.436 3.031 20 70 CGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000160122087 372216099 /nfs/dbraw/zinc/21/60/99/372216099.db2.gz KBEJGPVNLDSCJW-GJZGRUSLSA-N 1 0 280.456 3.051 20 70 CGIDRO Cc1nc(CN2CCC[C@H]2c2cccc(C)n2)oc1C ZINC000160148749 372218245 /nfs/dbraw/zinc/21/82/45/372218245.db2.gz CKGVIDSMJYHAIT-HNNXBMFYSA-N 1 0 271.364 3.332 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000160172814 372220786 /nfs/dbraw/zinc/22/07/86/372220786.db2.gz QBJHUOFIIGXGAC-HIFRSBDPSA-N 1 0 281.465 3.056 20 70 CGIDRO CCOC(CC[NH2+][C@H](C)c1cccc(C)c1)OCC ZINC000160215474 372226685 /nfs/dbraw/zinc/22/66/85/372226685.db2.gz FDROERNPOPMYPM-CQSZACIVSA-N 1 0 265.397 3.435 20 70 CGIDRO CC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(F)cc1F ZINC000160287887 372234290 /nfs/dbraw/zinc/23/42/90/372234290.db2.gz KQWMXDZEFGJFAN-SMDDNHRTSA-N 1 0 289.391 3.120 20 70 CGIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ncc(-c2ccccc2)o1 ZINC000159885880 372190301 /nfs/dbraw/zinc/19/03/01/372190301.db2.gz GRYIIYILWRYEQG-GFCCVEGCSA-N 1 0 274.364 3.153 20 70 CGIDRO CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC=CCC1 ZINC000159882077 372190774 /nfs/dbraw/zinc/19/07/74/372190774.db2.gz OTRXPVZYJFESFD-CQSZACIVSA-N 1 0 297.402 3.101 20 70 CGIDRO CCCN(Cc1ccncc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000159962826 372198020 /nfs/dbraw/zinc/19/80/20/372198020.db2.gz SJJQAJIYHLSRRF-HNNXBMFYSA-N 1 0 297.402 3.321 20 70 CGIDRO Cc1ccccc1C1(C(=O)NCC(C)(C)[NH3+])CCCCC1 ZINC000159974488 372199484 /nfs/dbraw/zinc/19/94/84/372199484.db2.gz JFYGNVYPGBEHLT-UHFFFAOYSA-N 1 0 288.435 3.050 20 70 CGIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C)CCOC ZINC000160006084 372203020 /nfs/dbraw/zinc/20/30/20/372203020.db2.gz AAYJCTWXRBGYFY-LBPRGKRZSA-N 1 0 285.815 3.296 20 70 CGIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000160011881 372203085 /nfs/dbraw/zinc/20/30/85/372203085.db2.gz OQMSDBNEAOQKSZ-QWHCGFSZSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H](Cc1ccsc1)[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000160995435 372294939 /nfs/dbraw/zinc/29/49/39/372294939.db2.gz OXWVIEIBTHBLQS-SMDDNHRTSA-N 1 0 288.416 3.035 20 70 CGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000161067265 372299035 /nfs/dbraw/zinc/29/90/35/372299035.db2.gz NFFNWOZCWADXCV-UONOGXRCSA-N 1 0 276.424 3.349 20 70 CGIDRO CCSCc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1 ZINC000160470178 372249327 /nfs/dbraw/zinc/24/93/27/372249327.db2.gz GNLZKIFITNNTEE-UHFFFAOYSA-N 1 0 294.464 3.187 20 70 CGIDRO C[N@H+](Cc1ccc(N2CCCC2)nc1)Cc1cccc(F)c1 ZINC000160462400 372249830 /nfs/dbraw/zinc/24/98/30/372249830.db2.gz RXOAHRAGDLEQAT-UHFFFAOYSA-N 1 0 299.393 3.453 20 70 CGIDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cnc2ccccn12 ZINC000160485568 372252347 /nfs/dbraw/zinc/25/23/47/372252347.db2.gz PXAPVUJVWDZCTQ-HNNXBMFYSA-N 1 0 257.381 3.345 20 70 CGIDRO CC[C@H]([NH2+]CCCOCc1ccc(OC)cc1)C1CC1 ZINC000161100369 372300886 /nfs/dbraw/zinc/30/08/86/372300886.db2.gz ZQPXDBMLGBGFKJ-KRWDZBQOSA-N 1 0 277.408 3.380 20 70 CGIDRO CC(C)c1ccc(C[N@H+](C)Cc2cnc(N(C)C)nc2)cc1 ZINC000160668046 372266710 /nfs/dbraw/zinc/26/67/10/372266710.db2.gz WCVXZGJLECWYHC-UHFFFAOYSA-N 1 0 298.434 3.298 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(F)cc1F ZINC000160819827 372278796 /nfs/dbraw/zinc/27/87/96/372278796.db2.gz ALSMMTLMQIURQA-HZMBPMFUSA-N 1 0 255.308 3.042 20 70 CGIDRO COC[C@@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160836760 372281427 /nfs/dbraw/zinc/28/14/27/372281427.db2.gz XNXDBTRXWYSOFJ-KGLIPLIRSA-N 1 0 280.412 3.020 20 70 CGIDRO CCCCN(Cc1nncn1C)[C@@H](C)c1ccccc1 ZINC000160871491 372283508 /nfs/dbraw/zinc/28/35/08/372283508.db2.gz FCVYZLSVIHRDRX-AWEZNQCLSA-N 1 0 272.396 3.178 20 70 CGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000161170501 372307188 /nfs/dbraw/zinc/30/71/88/372307188.db2.gz WGUMFTYVFWNSOQ-QWHCGFSZSA-N 1 0 252.427 3.273 20 70 CGIDRO Cc1ccc(CNC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000161260030 372312808 /nfs/dbraw/zinc/31/28/08/372312808.db2.gz FWMNODBKJAJKKF-UHFFFAOYSA-N 1 0 287.451 3.277 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)[C@H]1CCOC1 ZINC000161308425 372316725 /nfs/dbraw/zinc/31/67/25/372316725.db2.gz SCQPJLNVFGDLST-NJAFHUGGSA-N 1 0 291.435 3.244 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000161414665 372321178 /nfs/dbraw/zinc/32/11/78/372321178.db2.gz HZSPUWKXQZLRID-GDBMZVCRSA-N 1 0 295.448 3.019 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1NCc1noc(C(C)(C)C)n1 ZINC000161433681 372324275 /nfs/dbraw/zinc/32/42/75/372324275.db2.gz LHUBTFIMHASTON-RYUDHWBXSA-N 1 0 265.401 3.426 20 70 CGIDRO CCc1oc2ccccc2c1C[NH2+]C[C@](C)(O)CSC ZINC000217861880 376181707 /nfs/dbraw/zinc/18/17/07/376181707.db2.gz AVPBZCVNHSSXMX-INIZCTEOSA-N 1 0 293.432 3.199 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1cccc2cc[nH]c21)c1ccco1 ZINC000218067653 376183377 /nfs/dbraw/zinc/18/33/77/376183377.db2.gz RAHHXUHHAAZKBW-OAHLLOKOSA-N 1 0 283.375 3.153 20 70 CGIDRO Cc1c([C@@H](C)[NH2+]Cc2cccc3cc[nH]c32)cnn1C ZINC000218105129 376184532 /nfs/dbraw/zinc/18/45/32/376184532.db2.gz LCOJIKICDCLQSI-LLVKDONJSA-N 1 0 268.364 3.061 20 70 CGIDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2ccc(F)cc2s1 ZINC000161204367 542158035 /nfs/dbraw/zinc/15/80/35/542158035.db2.gz NKYCUDBBVMDXBS-LBPRGKRZSA-N 1 0 294.395 3.144 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000160075238 392580425 /nfs/dbraw/zinc/58/04/25/392580425.db2.gz DFWVKTFKALBEPO-XJKSGUPXSA-N 1 0 294.414 3.359 20 70 CGIDRO CCCC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000218202778 263088049 /nfs/dbraw/zinc/08/80/49/263088049.db2.gz LVZZMGVXSHNERB-CVEARBPZSA-N 1 0 275.392 3.208 20 70 CGIDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2C)CC1 ZINC000159411142 277024843 /nfs/dbraw/zinc/02/48/43/277024843.db2.gz ALURNYAILJYZSQ-JEYLPNPQSA-N 1 0 274.408 3.093 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(F)c(F)c(F)c1 ZINC000160533613 278350635 /nfs/dbraw/zinc/35/06/35/278350635.db2.gz VSDJBDBUBOBFBQ-BFVZDQMLSA-N 1 0 287.325 3.306 20 70 CGIDRO Cc1cc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc(C)c1F ZINC000159584027 321837228 /nfs/dbraw/zinc/83/72/28/321837228.db2.gz BDTDPTSREFOVLW-CQSZACIVSA-N 1 0 292.398 3.106 20 70 CGIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1=CCCC1 ZINC000159664916 321838426 /nfs/dbraw/zinc/83/84/26/321838426.db2.gz IZGWYVPUVCMTQV-QGZVFWFLSA-N 1 0 284.403 3.050 20 70 CGIDRO Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)c(C)c1 ZINC000159856563 321841736 /nfs/dbraw/zinc/84/17/36/321841736.db2.gz PRDRFDIQTDRWDC-UHFFFAOYSA-N 1 0 296.414 3.295 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000159974207 321844491 /nfs/dbraw/zinc/84/44/91/321844491.db2.gz DKPOURPYFGFPOI-LBPRGKRZSA-N 1 0 282.815 3.153 20 70 CGIDRO COc1ccc(C[NH2+]C2CCCCCC2)cc1NC(C)=O ZINC000159984506 321844603 /nfs/dbraw/zinc/84/46/03/321844603.db2.gz IKGLQCDMQMNQJW-UHFFFAOYSA-N 1 0 290.407 3.466 20 70 CGIDRO CCCC1(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000160771929 321857519 /nfs/dbraw/zinc/85/75/19/321857519.db2.gz LDJFGOPLTVXLOI-MRXNPFEDSA-N 1 0 286.419 3.176 20 70 CGIDRO CC(C)c1noc(CCC[NH2+][C@H](C(C)C)C2CC2)n1 ZINC000160823316 321858160 /nfs/dbraw/zinc/85/81/60/321858160.db2.gz GYGXUSMCXOLESL-CQSZACIVSA-N 1 0 265.401 3.150 20 70 CGIDRO CC[C@@H]([NH2+]CCCOc1c(C)cccc1C)[C@@H]1CCOC1 ZINC000161237267 321864733 /nfs/dbraw/zinc/86/47/33/321864733.db2.gz XWXNVRIGADZVLK-IAGOWNOFSA-N 1 0 291.435 3.477 20 70 CGIDRO CCCCOc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000161387946 321866748 /nfs/dbraw/zinc/86/67/48/321866748.db2.gz QBFHLDJGZGCMIJ-DOTOQJQBSA-N 1 0 291.435 3.423 20 70 CGIDRO Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161432266 321867635 /nfs/dbraw/zinc/86/76/35/321867635.db2.gz WDCVBNSQEITQHU-LPHOPBHVSA-N 1 0 281.399 3.348 20 70 CGIDRO CC1CC[NH+](C2CCC(NC(=O)C3CC=CC3)CC2)CC1 ZINC000161465784 520992286 /nfs/dbraw/zinc/99/22/86/520992286.db2.gz FVRVHMJNPNEOPU-UHFFFAOYSA-N 1 0 290.451 3.112 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000161203162 521602159 /nfs/dbraw/zinc/60/21/59/521602159.db2.gz XQXJVAURNSJSGT-HOCLYGCPSA-N 1 0 276.424 3.220 20 70 CGIDRO CCSCC[C@H](C)[N@H+](C)Cc1cnc2ccccn12 ZINC000160904419 521715068 /nfs/dbraw/zinc/71/50/68/521715068.db2.gz NZHPZCRMJWZACM-ZDUSSCGKSA-N 1 0 277.437 3.298 20 70 CGIDRO CCS[C@@H]1CCCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160363853 521723284 /nfs/dbraw/zinc/72/32/84/521723284.db2.gz LRKBWBRAFWGWAK-OAHLLOKOSA-N 1 0 289.448 3.442 20 70 CGIDRO CC[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000160836407 522567539 /nfs/dbraw/zinc/56/75/39/522567539.db2.gz DUCSADKUIQFMTD-INIZCTEOSA-N 1 0 292.398 3.315 20 70 CGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnccn2)C1 ZINC000161016752 523251388 /nfs/dbraw/zinc/25/13/88/523251388.db2.gz MMEINDNUVSGJEY-LSDHHAIUSA-N 1 0 290.455 3.028 20 70 CGIDRO CC[C@](C)(NCCC[NH+]1CCCCC1)c1nccs1 ZINC000161433406 523489038 /nfs/dbraw/zinc/48/90/38/523489038.db2.gz ZKXWHELOLMELNX-HNNXBMFYSA-N 1 0 281.469 3.234 20 70 CGIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cncs1 ZINC000160473527 525294818 /nfs/dbraw/zinc/29/48/18/525294818.db2.gz DXBTYDVUBOZHMX-LBPRGKRZSA-N 1 0 279.453 3.201 20 70 CGIDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000161262062 525385858 /nfs/dbraw/zinc/38/58/58/525385858.db2.gz JBYWRRFYIKGKSB-PHIMTYICSA-N 1 0 250.411 3.498 20 70 CGIDRO Fc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000160969909 526300058 /nfs/dbraw/zinc/30/00/58/526300058.db2.gz QCXWSTHHNPPGKM-LSDHHAIUSA-N 1 0 282.790 3.196 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160302322 282118599 /nfs/dbraw/zinc/11/85/99/282118599.db2.gz MGQWKLCXWUSOBZ-DYVFJYSZSA-N 1 0 298.434 3.376 20 70 CGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000159836931 232241572 /nfs/dbraw/zinc/24/15/72/232241572.db2.gz GMDYPGQBVSVFAT-BBRMVZONSA-N 1 0 299.418 3.004 20 70 CGIDRO COC(C)(C)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160154466 232244291 /nfs/dbraw/zinc/24/42/91/232244291.db2.gz XEYYVQMBBGZIMX-UHFFFAOYSA-N 1 0 279.277 3.359 20 70 CGIDRO COc1ccc([C@H](C)[N@H+](C)CCCn2ccnc2C)cc1 ZINC000161353784 232249489 /nfs/dbraw/zinc/24/94/89/232249489.db2.gz YVWQWFGJUXVPGQ-AWEZNQCLSA-N 1 0 287.407 3.283 20 70 CGIDRO Cc1cccc([C@@H](C)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159754922 346168569 /nfs/dbraw/zinc/16/85/69/346168569.db2.gz ZTKPQZHOAUBXHY-HZPDHXFCSA-N 1 0 288.435 3.089 20 70 CGIDRO CC[C@@H](CC(=O)NCC[N@H+](C)C(C)C)c1ccc(C)cc1 ZINC000160180242 346169886 /nfs/dbraw/zinc/16/98/86/346169886.db2.gz GKBCTTKREHNKTJ-INIZCTEOSA-N 1 0 290.451 3.335 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160914830 346173170 /nfs/dbraw/zinc/17/31/70/346173170.db2.gz OWHQTRARIBVDCI-AWEZNQCLSA-N 1 0 268.445 3.240 20 70 CGIDRO CC1CCC([N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000218757732 376190239 /nfs/dbraw/zinc/19/02/39/376190239.db2.gz VFYCVQDXOZULII-PREGVCBESA-N 1 0 261.409 3.101 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047975 296163749 /nfs/dbraw/zinc/16/37/49/296163749.db2.gz ZCNHJGPIAFKNQF-AGIUHOORSA-N 1 0 281.831 3.258 20 70 CGIDRO CCCCN(C(=O)[C@H](C)[NH3+])[C@@H](CC)c1ccccc1 ZINC000159781143 372179959 /nfs/dbraw/zinc/17/99/59/372179959.db2.gz NOOFOWZBYWXUKV-ZFWWWQNUSA-N 1 0 262.397 3.114 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000159452167 372144287 /nfs/dbraw/zinc/14/42/87/372144287.db2.gz NXOHMMIVWODTET-VNHYZAJKSA-N 1 0 293.480 3.451 20 70 CGIDRO Cc1ccc(C[NH+](C)C)cc1N[C@H](C)CCn1cccn1 ZINC000159473828 372147377 /nfs/dbraw/zinc/14/73/77/372147377.db2.gz YBAFIAUSNCRPNX-OAHLLOKOSA-N 1 0 286.423 3.144 20 70 CGIDRO c1cnc2c(c1)cccc2C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159541287 372153652 /nfs/dbraw/zinc/15/36/52/372153652.db2.gz PBTNIFNJNDYMIP-NJAFHUGGSA-N 1 0 294.398 3.282 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccccn2)n1 ZINC000159792850 372181454 /nfs/dbraw/zinc/18/14/54/372181454.db2.gz WDVYTKXBRRSOCC-MRXNPFEDSA-N 1 0 253.349 3.122 20 70 CGIDRO c1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000159608967 372161009 /nfs/dbraw/zinc/16/10/09/372161009.db2.gz ZTPLCCXOAMJPNP-JSGCOSHPSA-N 1 0 263.406 3.386 20 70 CGIDRO C[C@@H](c1ccc(F)cc1F)[N@H+](C)CCOCC1CC1 ZINC000159764531 372177605 /nfs/dbraw/zinc/17/76/05/372177605.db2.gz QGDJORUCQICJFE-NSHDSACASA-N 1 0 269.335 3.384 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]CCCc2cccc(F)c2)cn1 ZINC000159785965 372179778 /nfs/dbraw/zinc/17/97/78/372179778.db2.gz PHXBVZKNTPXYAL-ZDUSSCGKSA-N 1 0 275.371 3.326 20 70 CGIDRO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160101280 372211824 /nfs/dbraw/zinc/21/18/24/372211824.db2.gz OKRMOKXCFNFMPZ-NVXWUHKLSA-N 1 0 288.435 3.447 20 70 CGIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247836 372230021 /nfs/dbraw/zinc/23/00/21/372230021.db2.gz VDGSJKUARUSACA-DZGCQCFKSA-N 1 0 294.464 3.232 20 70 CGIDRO CC[C@@H]([NH2+][C@H](CCO)CSC)c1ccc(F)cc1F ZINC000160288132 372233850 /nfs/dbraw/zinc/23/38/50/372233850.db2.gz KQWMXDZEFGJFAN-BXUZGUMPSA-N 1 0 289.391 3.120 20 70 CGIDRO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1cncc(F)c1 ZINC000160276598 372233902 /nfs/dbraw/zinc/23/39/02/372233902.db2.gz AQQLPOAZGDOVLX-KBPBESRZSA-N 1 0 279.403 3.136 20 70 CGIDRO COC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000159871243 372189465 /nfs/dbraw/zinc/18/94/65/372189465.db2.gz AUEXADVRKQZKJI-QMMMGPOBSA-N 1 0 281.705 3.483 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC000160404811 372243970 /nfs/dbraw/zinc/24/39/70/372243970.db2.gz ZONWLVHJWGZLNV-ZIAGYGMSSA-N 1 0 294.464 3.088 20 70 CGIDRO COc1ccc(COCCC[NH2+]C(C2CC2)C2CC2)cc1 ZINC000161069807 372300444 /nfs/dbraw/zinc/30/04/44/372300444.db2.gz DOIMCKDZAWIDHL-UHFFFAOYSA-N 1 0 289.419 3.380 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC[C@H]([NH3+])C2)c1C ZINC000160721155 372270998 /nfs/dbraw/zinc/27/09/98/372270998.db2.gz ZKQASOMWHLUKJW-ZOBUZTSGSA-N 1 0 286.419 3.094 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000160818007 372279665 /nfs/dbraw/zinc/27/96/65/372279665.db2.gz RRMQXGJXUXDUFP-ZBFHGGJFSA-N 1 0 277.408 3.380 20 70 CGIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000160830381 372279825 /nfs/dbraw/zinc/27/98/25/372279825.db2.gz JVBCHCFQKXSEEA-KGLIPLIRSA-N 1 0 282.815 3.281 20 70 CGIDRO CC1(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC000160874171 372284115 /nfs/dbraw/zinc/28/41/15/372284115.db2.gz OCVNWNFQMFZWPH-CQSZACIVSA-N 1 0 293.455 3.025 20 70 CGIDRO CC[NH2+]CC1CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000161152561 372306236 /nfs/dbraw/zinc/30/62/36/372306236.db2.gz KRHHRUKDTJKVEM-UHFFFAOYSA-N 1 0 284.806 3.301 20 70 CGIDRO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173316 372307425 /nfs/dbraw/zinc/30/74/25/372307425.db2.gz UXOXPQQGPWYJJZ-QWHCGFSZSA-N 1 0 281.831 3.260 20 70 CGIDRO C[C@@H](CCC(C)(C)C)NC(=O)c1ccc(C[NH3+])cc1 ZINC000161230043 372311237 /nfs/dbraw/zinc/31/12/37/372311237.db2.gz DNJXFLRFAQHLOB-LBPRGKRZSA-N 1 0 262.397 3.090 20 70 CGIDRO Cc1ccc(NC(=O)[C@@H](C)[NH3+])cc1OCC1CCCCC1 ZINC000161379152 372319249 /nfs/dbraw/zinc/31/92/49/372319249.db2.gz UOVKXZICMOYLKN-CYBMUJFWSA-N 1 0 290.407 3.240 20 70 CGIDRO OC[C@H](C[NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000161449777 372326065 /nfs/dbraw/zinc/32/60/65/372326065.db2.gz HSAWMQVKAUGQCR-WMZOPIPTSA-N 1 0 267.372 3.040 20 70 CGIDRO c1c2ccccc2oc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217631640 376176835 /nfs/dbraw/zinc/17/68/35/376176835.db2.gz KLWNHHHVIAAOIX-HOTGVXAUSA-N 1 0 270.376 3.149 20 70 CGIDRO CC(C)[NH+](CCNCc1cccc2cc[nH]c21)C(C)C ZINC000218071787 376182441 /nfs/dbraw/zinc/18/24/41/376182441.db2.gz ZIDIJPUCCYINCA-UHFFFAOYSA-N 1 0 273.424 3.376 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)c1cscn1 ZINC000218266611 376186944 /nfs/dbraw/zinc/18/69/44/376186944.db2.gz WWISMQYEQSGLAH-JTQLQIEISA-N 1 0 299.440 3.097 20 70 CGIDRO Cc1cccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c1Cl ZINC000160386637 542154076 /nfs/dbraw/zinc/15/40/76/542154076.db2.gz KUZXNEVRVWLPOJ-LBPRGKRZSA-N 1 0 292.810 3.053 20 70 CGIDRO CN(C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)C1CCCCC1 ZINC000160552409 542154870 /nfs/dbraw/zinc/15/48/70/542154870.db2.gz JIAJKUALLGYQFO-HOCLYGCPSA-N 1 0 278.440 3.042 20 70 CGIDRO Cc1ccccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217675128 392994012 /nfs/dbraw/zinc/99/40/12/392994012.db2.gz SRZUNUYAHIYJPN-UAGQMJEPSA-N 1 0 258.409 3.272 20 70 CGIDRO c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3CC=CCC3)C2)cc1 ZINC000218572783 392998472 /nfs/dbraw/zinc/99/84/72/392998472.db2.gz VBGZPOZSATUDMU-SJLPKXTDSA-N 1 0 270.420 3.207 20 70 CGIDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218686478 262178610 /nfs/dbraw/zinc/17/86/10/262178610.db2.gz FROUJDKLAZRKEU-KRWDZBQOSA-N 1 0 289.806 3.375 20 70 CGIDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)ccc1F ZINC000218258821 263190707 /nfs/dbraw/zinc/19/07/07/263190707.db2.gz QZAVRCVNMRSIJK-OUCADQQQSA-N 1 0 281.371 3.036 20 70 CGIDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000217811131 270085522 /nfs/dbraw/zinc/08/55/22/270085522.db2.gz IOPSQBFPRJIRGA-OAHLLOKOSA-N 1 0 291.435 3.287 20 70 CGIDRO CCC(CC)[N@H+](CCOC)Cc1c(C)nc2ccccn21 ZINC000159707031 276210540 /nfs/dbraw/zinc/21/05/40/276210540.db2.gz WFDYRQASPAIMCY-UHFFFAOYSA-N 1 0 289.423 3.280 20 70 CGIDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)C12CCCC2 ZINC000159940260 279877441 /nfs/dbraw/zinc/87/74/41/279877441.db2.gz LFBGMZPEGIZZOB-QLFBSQMISA-N 1 0 281.440 3.271 20 70 CGIDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+][C@@H]1CCc2ccccc21 ZINC000160961619 280395081 /nfs/dbraw/zinc/39/50/81/280395081.db2.gz LCWOUQUWYNHDRP-DOTOQJQBSA-N 1 0 280.371 3.029 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000160172710 295623018 /nfs/dbraw/zinc/62/30/18/295623018.db2.gz QBJHUOFIIGXGAC-ZFWWWQNUSA-N 1 0 281.465 3.056 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1ccnn1C ZINC000159974124 321844212 /nfs/dbraw/zinc/84/42/12/321844212.db2.gz BPCMCHFYCVKDPH-XFXZXTDPSA-N 1 0 275.783 3.267 20 70 CGIDRO CC(C)[C@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000159972905 321844663 /nfs/dbraw/zinc/84/46/63/321844663.db2.gz IJCBCIQQHYGKDD-LBPRGKRZSA-N 1 0 280.378 3.285 20 70 CGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)C1CCCC1 ZINC000161146953 321863598 /nfs/dbraw/zinc/86/35/98/321863598.db2.gz IRNBQRHDCQRUHJ-LBPRGKRZSA-N 1 0 261.365 3.126 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)NCCCCCc1ccccc1 ZINC000161210591 321864829 /nfs/dbraw/zinc/86/48/29/321864829.db2.gz FFJXKBWWGMEPLK-UHFFFAOYSA-N 1 0 290.451 3.281 20 70 CGIDRO Cc1nccn1CCCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000161502105 527393700 /nfs/dbraw/zinc/39/37/00/527393700.db2.gz NEJWZGIWLJCJCI-ZDUSSCGKSA-N 1 0 261.369 3.258 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)c1occc1-c1ccccc1 ZINC000160551333 528948261 /nfs/dbraw/zinc/94/82/61/528948261.db2.gz SNBJARYRJUKPOV-UHFFFAOYSA-N 1 0 286.375 3.194 20 70 CGIDRO CCSCc1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000160425510 529199702 /nfs/dbraw/zinc/19/97/02/529199702.db2.gz XZWLTFIALMZXMF-CYBMUJFWSA-N 1 0 278.421 3.020 20 70 CGIDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc2ccc(F)cc2s1 ZINC000161196985 572338266 /nfs/dbraw/zinc/33/82/66/572338266.db2.gz QBETZMZLYRYNJE-VXGBXAGGSA-N 1 0 292.379 3.040 20 70 CGIDRO CC[C@@H](CC(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000159721359 529450384 /nfs/dbraw/zinc/45/03/84/529450384.db2.gz CVVZNOYXBGTPTN-HNNXBMFYSA-N 1 0 288.435 3.348 20 70 CGIDRO Cc1nc(C)c(C[N@@H+](C)Cc2cccc(N(C)C)c2)s1 ZINC000159853532 232241062 /nfs/dbraw/zinc/24/10/62/232241062.db2.gz DFNUQGZLXSPCEO-UHFFFAOYSA-N 1 0 289.448 3.458 20 70 CGIDRO c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c2c(c1)OCCO2 ZINC000159702526 346168749 /nfs/dbraw/zinc/16/87/49/346168749.db2.gz DIAJWROWSLHHHO-ZFWWWQNUSA-N 1 0 273.376 3.222 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)c1ccc(Cl)s1 ZINC000160442651 188472836 /nfs/dbraw/zinc/47/28/36/188472836.db2.gz GZOBEPLRWUBJNJ-SECBINFHSA-N 1 0 288.844 3.139 20 70 CGIDRO CC[C@@H]([NH2+]CCCCC(=O)OC)c1ccc(F)cc1 ZINC000160832810 188493494 /nfs/dbraw/zinc/49/34/94/188493494.db2.gz TURNVEOILSBVNE-CQSZACIVSA-N 1 0 267.344 3.210 20 70 CGIDRO CC(C)[N@H+](CCc1nccs1)CC1(O)CCC(C)CC1 ZINC000159780598 372180282 /nfs/dbraw/zinc/18/02/82/372180282.db2.gz UXEWBMLGEKNVTL-UHFFFAOYSA-N 1 0 296.480 3.337 20 70 CGIDRO Cc1cc(C)cc(CC[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000159514146 372150964 /nfs/dbraw/zinc/15/09/64/372150964.db2.gz SZBJJXXUEARTRZ-QGZVFWFLSA-N 1 0 283.419 3.247 20 70 CGIDRO c1ccc(C[C@H]([NH2+][C@@H]2CCCSC2)C2CC2)cc1 ZINC000159529263 372152761 /nfs/dbraw/zinc/15/27/61/372152761.db2.gz VHGHKTWWTCYACN-CVEARBPZSA-N 1 0 261.434 3.493 20 70 CGIDRO C[N@H+](CC1CCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159623047 372162270 /nfs/dbraw/zinc/16/22/70/372162270.db2.gz VDCLDHYPRQQMBS-UHFFFAOYSA-N 1 0 280.456 3.003 20 70 CGIDRO CCCC[NH+]1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC000159625828 372162750 /nfs/dbraw/zinc/16/27/50/372162750.db2.gz TWQGMBRGDCYJPT-UHFFFAOYSA-N 1 0 268.445 3.193 20 70 CGIDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625031 372162793 /nfs/dbraw/zinc/16/27/93/372162793.db2.gz PVCSZNWGISSBTD-NEPJUHHUSA-N 1 0 294.464 3.131 20 70 CGIDRO C[C@@H](C1CC1)N(Cc1csnn1)Cc1ccccc1 ZINC000159682252 372167833 /nfs/dbraw/zinc/16/78/33/372167833.db2.gz JQJKLVVBMZQMRR-LBPRGKRZSA-N 1 0 273.405 3.339 20 70 CGIDRO CC1(C)CCC(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000160083757 372211015 /nfs/dbraw/zinc/21/10/15/372211015.db2.gz MILZXVYURLWPKM-OAHLLOKOSA-N 1 0 292.467 3.336 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000160132264 372216002 /nfs/dbraw/zinc/21/60/02/372216002.db2.gz UPPFRQXZZUFBFH-WDEREUQCSA-N 1 0 290.798 3.370 20 70 CGIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160247964 372229997 /nfs/dbraw/zinc/22/99/97/372229997.db2.gz VDGSJKUARUSACA-ZFWWWQNUSA-N 1 0 294.464 3.232 20 70 CGIDRO COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000160326567 372239292 /nfs/dbraw/zinc/23/92/92/372239292.db2.gz TYPLSEMPQPIWCD-QWHCGFSZSA-N 1 0 263.381 3.303 20 70 CGIDRO CCc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)o1 ZINC000159859691 372186466 /nfs/dbraw/zinc/18/64/66/372186466.db2.gz ASHDCVKDEFCZLS-UHFFFAOYSA-N 1 0 259.349 3.483 20 70 CGIDRO C[C@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159931027 372193967 /nfs/dbraw/zinc/19/39/67/372193967.db2.gz VWKAXVVKHJLULF-KGLIPLIRSA-N 1 0 299.393 3.323 20 70 CGIDRO C[C@@](O)(C[NH2+][C@@H]1CCc2ccccc21)c1ccsc1 ZINC000159932190 372194265 /nfs/dbraw/zinc/19/42/65/372194265.db2.gz GTBVZLJXFDFIKW-HZPDHXFCSA-N 1 0 273.401 3.233 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H](CCO)c1ccccc1)CC2 ZINC000160987071 372292823 /nfs/dbraw/zinc/29/28/23/372292823.db2.gz QMTQHDGIGLDLHI-RTBURBONSA-N 1 0 297.398 3.396 20 70 CGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999190 372294224 /nfs/dbraw/zinc/29/42/24/372294224.db2.gz KGSYORZOLLUYOG-IHRRRGAJSA-N 1 0 264.388 3.349 20 70 CGIDRO CCCC[C@@H](CC)CC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000161055248 372298942 /nfs/dbraw/zinc/29/89/42/372298942.db2.gz IZMIXVURCHXZBV-OAHLLOKOSA-N 1 0 282.472 3.441 20 70 CGIDRO c1ccc2oc(N3CCC[C@H]3C[NH+]3CCCCC3)nc2c1 ZINC000160449585 372248490 /nfs/dbraw/zinc/24/84/90/372248490.db2.gz CYMPSCRCDGWSHC-AWEZNQCLSA-N 1 0 285.391 3.283 20 70 CGIDRO COCC[N@H+](Cc1scnc1C)Cc1ccccc1 ZINC000160452318 372248529 /nfs/dbraw/zinc/24/85/29/372248529.db2.gz TVROSGRPHMDGKZ-UHFFFAOYSA-N 1 0 276.405 3.100 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1CCc2ccccc2CC1 ZINC000160471720 372250095 /nfs/dbraw/zinc/25/00/95/372250095.db2.gz DMXMNTYWCNVCIR-UHFFFAOYSA-N 1 0 291.398 3.244 20 70 CGIDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cnc2ccccn12 ZINC000160478229 372251356 /nfs/dbraw/zinc/25/13/56/372251356.db2.gz MGYAVPUBIZKCCE-FMKPAKJESA-N 1 0 269.392 3.487 20 70 CGIDRO CCC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC000160478303 372252007 /nfs/dbraw/zinc/25/20/07/372252007.db2.gz FWNJYSIOMVKPHI-UHFFFAOYSA-N 1 0 259.349 3.184 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+]C(C2CC2)C2CC2)c1 ZINC000160576960 372259303 /nfs/dbraw/zinc/25/93/03/372259303.db2.gz KTUCQJSGNSYHHJ-UHFFFAOYSA-N 1 0 286.419 3.105 20 70 CGIDRO Fc1cc(Cl)ccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160767165 372272761 /nfs/dbraw/zinc/27/27/61/372272761.db2.gz PYWMDGZXFRPDPM-NSHDSACASA-N 1 0 282.790 3.053 20 70 CGIDRO Cn1cnnc1C[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000160843280 372281207 /nfs/dbraw/zinc/28/12/07/372281207.db2.gz RTHCVQZEDRLDDP-KRWDZBQOSA-N 1 0 292.386 3.305 20 70 CGIDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)C1CC1 ZINC000161136664 372304464 /nfs/dbraw/zinc/30/44/64/372304464.db2.gz VILGSRIAANAANN-SUMWQHHRSA-N 1 0 288.435 3.493 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccccc1OC ZINC000161175314 372307388 /nfs/dbraw/zinc/30/73/88/372307388.db2.gz DZCYQBASBWAJEX-GJZGRUSLSA-N 1 0 276.424 3.220 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000161268804 372314109 /nfs/dbraw/zinc/31/41/09/372314109.db2.gz FWMDAZDAAJMDJR-YOEHRIQHSA-N 1 0 288.435 3.217 20 70 CGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(SC(C)C)cc1 ZINC000161368559 372319159 /nfs/dbraw/zinc/31/91/59/372319159.db2.gz GLQVQKRIUZGBPA-AWEZNQCLSA-N 1 0 292.448 3.011 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cc(F)cc(F)c1 ZINC000161504036 372328771 /nfs/dbraw/zinc/32/87/71/372328771.db2.gz CDOAYERSMHJHGD-DOMZBBRYSA-N 1 0 291.341 3.392 20 70 CGIDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161510116 372331559 /nfs/dbraw/zinc/33/15/59/372331559.db2.gz SVHVHTGPFGWXGU-CQSZACIVSA-N 1 0 299.418 3.003 20 70 CGIDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000218237361 376186477 /nfs/dbraw/zinc/18/64/77/376186477.db2.gz VOCDKRXHKMFZDT-ZIAGYGMSSA-N 1 0 257.381 3.250 20 70 CGIDRO CC1(C(=O)NC2CC=CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000159446306 542149671 /nfs/dbraw/zinc/14/96/71/542149671.db2.gz OQHVWVNNFYGGFZ-UHFFFAOYSA-N 1 0 298.430 3.124 20 70 CGIDRO CN(C)c1ccc(C[NH2+][C@@H](c2ccccc2)C2CC2)cn1 ZINC000159660413 542150911 /nfs/dbraw/zinc/15/09/11/542150911.db2.gz IRPVCTULUBUSGJ-SFHVURJKSA-N 1 0 281.403 3.389 20 70 CGIDRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000159595550 542150384 /nfs/dbraw/zinc/15/03/84/542150384.db2.gz QGPBOZWJPDDPJN-TZMCWYRMSA-N 1 0 251.370 3.298 20 70 CGIDRO CCCn1nccc1C[NH2+]CCc1ccc(F)cc1C ZINC000160178772 542152397 /nfs/dbraw/zinc/15/23/97/542152397.db2.gz HJALUHVHROHHHL-UHFFFAOYSA-N 1 0 275.371 3.073 20 70 CGIDRO Clc1cc(NCC[NH+]2CCCCCC2)nc(C2CC2)n1 ZINC000217968320 392995776 /nfs/dbraw/zinc/99/57/76/392995776.db2.gz DQSSEDPCJZCQKV-UHFFFAOYSA-N 1 0 294.830 3.295 20 70 CGIDRO Cc1cc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)o1 ZINC000217699116 392996017 /nfs/dbraw/zinc/99/60/17/392996017.db2.gz JPJGRGKSSMZWDR-MAZHCROVSA-N 1 0 262.397 3.174 20 70 CGIDRO c1ccc2nc(N3CCC[C@@H]3C[NH+]3CCCCC3)cnc2c1 ZINC000160437248 285529564 /nfs/dbraw/zinc/52/95/64/285529564.db2.gz AKGRDDODWUYIGO-OAHLLOKOSA-N 1 0 296.418 3.085 20 70 CGIDRO Cc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000159694067 165467647 /nfs/dbraw/zinc/46/76/47/165467647.db2.gz WXYLECHYZVPIEA-RDJZCZTQSA-N 1 0 288.435 3.198 20 70 CGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000160959658 273539287 /nfs/dbraw/zinc/53/92/87/273539287.db2.gz MNQGCCAWISKCGO-HNNXBMFYSA-N 1 0 294.826 3.222 20 70 CGIDRO CCC(CC)[C@@H]1C[C@@H]([NH2+][C@@H](C)CCn2cccn2)CCO1 ZINC000159496629 275958100 /nfs/dbraw/zinc/95/81/00/275958100.db2.gz OGOPAYLUYGQQPN-XIRDDKMYSA-N 1 0 293.455 3.235 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2CCOCC2)C1 ZINC000159457204 276511256 /nfs/dbraw/zinc/51/12/56/276511256.db2.gz VJUIPOWYZPMHNC-AEGPPILISA-N 1 0 271.470 3.455 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCSC1)CC2 ZINC000159566920 277966949 /nfs/dbraw/zinc/96/69/49/277966949.db2.gz OWCZFDXOQTVKDJ-HUUCEWRRSA-N 1 0 277.433 3.038 20 70 CGIDRO C[C@@H]1CC[C@H]([NH2+]CCCN2CCCC2=O)c2ccccc21 ZINC000159547812 278609656 /nfs/dbraw/zinc/60/96/56/278609656.db2.gz GKAZKGFVJFSAKM-PBHICJAKSA-N 1 0 286.419 3.227 20 70 CGIDRO CCC1(CC)[C@@H]([NH2+][C@@H](C)c2ccncc2)C[C@@H]1OC ZINC000160102218 278631704 /nfs/dbraw/zinc/63/17/04/278631704.db2.gz CKXOETHGQDDVAP-QEJZJMRPSA-N 1 0 262.397 3.326 20 70 CGIDRO Cc1ccc(C)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159561934 321836581 /nfs/dbraw/zinc/83/65/81/321836581.db2.gz JZALNQYAUUNECA-BBWFWOEESA-N 1 0 271.404 3.351 20 70 CGIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1=CCCC1 ZINC000159665064 321838402 /nfs/dbraw/zinc/83/84/02/321838402.db2.gz IZGWYVPUVCMTQV-KRWDZBQOSA-N 1 0 284.403 3.050 20 70 CGIDRO COc1cc(C)c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000160593526 321854246 /nfs/dbraw/zinc/85/42/46/321854246.db2.gz JFHKXBGUDLLMQE-AWEZNQCLSA-N 1 0 293.407 3.059 20 70 CGIDRO COc1cc(C[NH2+][C@H](C(C)C)C2CC2)cc(OC)c1OC ZINC000160664737 321855726 /nfs/dbraw/zinc/85/57/26/321855726.db2.gz ZFVFRPKGWVUBHR-MRXNPFEDSA-N 1 0 293.407 3.237 20 70 CGIDRO COCC[C@@H](C)[NH2+]Cc1ccnc(O[C@@H](C)CC(C)C)c1 ZINC000160832658 321858955 /nfs/dbraw/zinc/85/89/55/321858955.db2.gz KJKLANFKLJJFED-CABCVRRESA-N 1 0 294.439 3.410 20 70 CGIDRO COc1ccccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OCO2 ZINC000161124862 321862665 /nfs/dbraw/zinc/86/26/65/321862665.db2.gz GLFJOPIQMNIIFV-CYBMUJFWSA-N 1 0 299.370 3.317 20 70 CGIDRO CC[N@H+](CCCCCO)Cc1ccc(Cl)s1 ZINC000160961042 521001494 /nfs/dbraw/zinc/00/14/94/521001494.db2.gz UVNNDTJOMHQLGB-UHFFFAOYSA-N 1 0 261.818 3.386 20 70 CGIDRO CC(C)(NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000159646701 519312181 /nfs/dbraw/zinc/31/21/81/519312181.db2.gz MOQFGARYTGGKLT-SMDDNHRTSA-N 1 0 294.826 3.209 20 70 CGIDRO CCCC[C@H](CC)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161502596 521164119 /nfs/dbraw/zinc/16/41/19/521164119.db2.gz WKRBIOYJFNVERJ-LSVZVQIISA-N 1 0 280.456 3.334 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc2nc(C)ccc2c1 ZINC000161469285 529343005 /nfs/dbraw/zinc/34/30/05/529343005.db2.gz SASPPOVQAUDPIC-CQSZACIVSA-N 1 0 299.418 3.003 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000161202465 572883354 /nfs/dbraw/zinc/88/33/54/572883354.db2.gz CVECJWWLDXNOQZ-AWEZNQCLSA-N 1 0 295.423 3.077 20 70 CGIDRO CC(C)CC[C@H](NC(=O)CC[NH2+]C(C)C)C(C)(C)C ZINC000160071950 346170248 /nfs/dbraw/zinc/17/02/48/346170248.db2.gz MKXNVULNGVCDJL-AWEZNQCLSA-N 1 0 270.461 3.342 20 70 CGIDRO CCOC(=O)CCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000160958126 346173659 /nfs/dbraw/zinc/17/36/59/346173659.db2.gz WKWLMSJMJIVEEM-GFCCVEGCSA-N 1 0 267.344 3.162 20 70 CGIDRO COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000160012134 188450703 /nfs/dbraw/zinc/45/07/03/188450703.db2.gz OQMSDBNEAOQKSZ-CHWSQXEVSA-N 1 0 293.407 3.170 20 70 CGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C(C)C)CC2)cc1 ZINC000160980796 188500882 /nfs/dbraw/zinc/50/08/82/188500882.db2.gz MZMFAFGKMVTPID-HNNXBMFYSA-N 1 0 288.435 3.234 20 70 CGIDRO Cc1cccc([C@H]2CCCN2CC[NH+]2CCCCC2)n1 ZINC000159780815 372180137 /nfs/dbraw/zinc/18/01/37/372180137.db2.gz ZXEFXRXHBXVUKJ-QGZVFWFLSA-N 1 0 273.424 3.013 20 70 CGIDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(-c2ccccc2)o1 ZINC000159506341 372150534 /nfs/dbraw/zinc/15/05/34/372150534.db2.gz RZCUJCREVFGCRX-DZGCQCFKSA-N 1 0 298.386 3.032 20 70 CGIDRO Cc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1F ZINC000159532716 372151709 /nfs/dbraw/zinc/15/17/09/372151709.db2.gz HOBOMRSTCUHFCX-IMJJTQAJSA-N 1 0 275.367 3.181 20 70 CGIDRO [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000159720433 372171835 /nfs/dbraw/zinc/17/18/35/372171835.db2.gz FZUZTRFPWVVENW-KZNAEPCWSA-N 1 0 294.398 3.139 20 70 CGIDRO Cc1ncc(C[N@@H+]2CCC[C@H]2c2cccc(C)n2)s1 ZINC000160078682 372210541 /nfs/dbraw/zinc/21/05/41/372210541.db2.gz XIUQKYXLPWNBLB-HNNXBMFYSA-N 1 0 273.405 3.492 20 70 CGIDRO CC(C)(C)CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160086674 372211187 /nfs/dbraw/zinc/21/11/87/372211187.db2.gz QMVXDNUPMQZOET-UHFFFAOYSA-N 1 0 280.456 3.147 20 70 CGIDRO OCC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000160108378 372214026 /nfs/dbraw/zinc/21/40/26/372214026.db2.gz YKFHQZNARKQNHK-UHFFFAOYSA-N 1 0 287.325 3.348 20 70 CGIDRO CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000160142365 372216519 /nfs/dbraw/zinc/21/65/19/372216519.db2.gz GBUWHDFASOQBHK-MRXNPFEDSA-N 1 0 264.388 3.036 20 70 CGIDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)c1ccc(C)cc1 ZINC000160305296 372236121 /nfs/dbraw/zinc/23/61/21/372236121.db2.gz FVFNKPBYDYYJQN-HNNXBMFYSA-N 1 0 277.433 3.395 20 70 CGIDRO CC[C@@H]([NH2+]C[C@@H](C)N1CCc2ccccc2C1)C1CC1 ZINC000159833609 372185404 /nfs/dbraw/zinc/18/54/04/372185404.db2.gz IDAVENHFCABAKH-RDTXWAMCSA-N 1 0 272.436 3.211 20 70 CGIDRO CC(C)N(CCc1nccs1)CC[NH+]1CCC(C)CC1 ZINC000159881618 372190934 /nfs/dbraw/zinc/19/09/34/372190934.db2.gz OHAXHXUACSJQEC-UHFFFAOYSA-N 1 0 295.496 3.128 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)c1cncc(F)c1)N1CCc2ccccc21 ZINC000159930878 372194457 /nfs/dbraw/zinc/19/44/57/372194457.db2.gz VWKAXVVKHJLULF-KBPBESRZSA-N 1 0 299.393 3.323 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952476 372198782 /nfs/dbraw/zinc/19/87/82/372198782.db2.gz LBGFUWGIIPWTGO-VXGBXAGGSA-N 1 0 281.371 3.443 20 70 CGIDRO CC[N@H+](CCCc1nc(-c2ccccc2)no1)C(C)C ZINC000159981528 372201272 /nfs/dbraw/zinc/20/12/72/372201272.db2.gz OAOXQBLUEYAUEE-UHFFFAOYSA-N 1 0 273.380 3.400 20 70 CGIDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000159986301 372201473 /nfs/dbraw/zinc/20/14/73/372201473.db2.gz LVAFHEKHTLUPFL-QJPTWQEYSA-N 1 0 282.815 3.294 20 70 CGIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1cncc(F)c1 ZINC000160496098 372252396 /nfs/dbraw/zinc/25/23/96/372252396.db2.gz NFZFCNPGUULXDG-ZDUSSCGKSA-N 1 0 291.414 3.278 20 70 CGIDRO CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)C1CC1 ZINC000160505868 372253569 /nfs/dbraw/zinc/25/35/69/372253569.db2.gz IGTDIQQITRRAMC-INIZCTEOSA-N 1 0 250.430 3.172 20 70 CGIDRO Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCCO2 ZINC000160554668 372258133 /nfs/dbraw/zinc/25/81/33/372258133.db2.gz BKHCTEVNDXXUNN-OIISXLGYSA-N 1 0 289.419 3.349 20 70 CGIDRO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000160734735 372271273 /nfs/dbraw/zinc/27/12/73/372271273.db2.gz XPNSHCLLCINNRR-OAHLLOKOSA-N 1 0 283.437 3.010 20 70 CGIDRO CC[N@H+](Cc1nnc(-c2ccccc2)n1C)C1CCCC1 ZINC000160796532 372275777 /nfs/dbraw/zinc/27/57/77/372275777.db2.gz XIZNELAZTTZXES-UHFFFAOYSA-N 1 0 284.407 3.247 20 70 CGIDRO CC[C@H]1CCCC[C@H]1NCc1noc(C(C)(C)C)n1 ZINC000161433953 372322927 /nfs/dbraw/zinc/32/29/27/372322927.db2.gz LHUBTFIMHASTON-NWDGAFQWSA-N 1 0 265.401 3.426 20 70 CGIDRO CCCn1c(C)nnc1C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000161427872 372323887 /nfs/dbraw/zinc/32/38/87/372323887.db2.gz RHQKVMLWVZMQQW-OAHLLOKOSA-N 1 0 278.444 3.397 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H](C)C1CCCCC1 ZINC000159880901 542152150 /nfs/dbraw/zinc/15/21/50/542152150.db2.gz UESCNOMMDPJMHU-OLZOCXBDSA-N 1 0 289.485 3.004 20 70 CGIDRO CCCn1nccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000160136605 542152643 /nfs/dbraw/zinc/15/26/43/542152643.db2.gz JNTWBFRDRGNWDO-UHFFFAOYSA-N 1 0 281.762 3.375 20 70 CGIDRO CCCn1nccc1C[NH2+]CCCc1ccccc1 ZINC000159976320 542151370 /nfs/dbraw/zinc/15/13/70/542151370.db2.gz KVZPCPXPLWWPTA-UHFFFAOYSA-N 1 0 257.381 3.016 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)S(C)(=O)=O)[C@@H](C)C1CCCCC1 ZINC000159880611 542151436 /nfs/dbraw/zinc/15/14/36/542151436.db2.gz UESCNOMMDPJMHU-CHWSQXEVSA-N 1 0 289.485 3.004 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)Cc1ccccc1C ZINC000160099038 542152941 /nfs/dbraw/zinc/15/29/41/542152941.db2.gz HXTQDMUREBMTOO-HNNXBMFYSA-N 1 0 271.408 3.322 20 70 CGIDRO CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC[C@H]1[NH3+] ZINC000160237734 542153920 /nfs/dbraw/zinc/15/39/20/542153920.db2.gz SEBSZUSHLDAIHI-ZHCJQAHYSA-N 1 0 292.467 3.179 20 70 CGIDRO CCc1ccc([C@H](C)CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161244654 542157871 /nfs/dbraw/zinc/15/78/71/542157871.db2.gz KBKBTMAJQGNAIQ-XOKHGSTOSA-N 1 0 288.435 3.129 20 70 CGIDRO O=C1CCCN1CCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000159556910 284788588 /nfs/dbraw/zinc/78/85/88/284788588.db2.gz OLSYTZWBYRFFIY-KRWDZBQOSA-N 1 0 286.419 3.056 20 70 CGIDRO C[C@@H](CC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161027766 533443419 /nfs/dbraw/zinc/44/34/19/533443419.db2.gz VOEKJCJOSXGLKK-QMCVQRASSA-N 1 0 292.467 3.097 20 70 CGIDRO C[C@H](O)C[N@H+](C)[C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000159385239 392579645 /nfs/dbraw/zinc/57/96/45/392579645.db2.gz WHVGRMSKNCMNNB-ISVAXAHUSA-N 1 0 274.191 3.293 20 70 CGIDRO C[N@@H+]1CCN(Cc2cccc(F)c2)[C@@H](c2ccccc2)C1 ZINC000216734744 392992435 /nfs/dbraw/zinc/99/24/35/392992435.db2.gz HBURQRYLCXQUQH-GOSISDBHSA-N 1 0 284.378 3.314 20 70 CGIDRO CCOc1ccccc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217659495 392994445 /nfs/dbraw/zinc/99/44/45/392994445.db2.gz VFEWUDXRCXHVIO-XIRDDKMYSA-N 1 0 288.435 3.363 20 70 CGIDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000218775629 270085418 /nfs/dbraw/zinc/08/54/18/270085418.db2.gz PZGMQAZGFUZPFS-OUCADQQQSA-N 1 0 285.815 3.104 20 70 CGIDRO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC000218731328 270085442 /nfs/dbraw/zinc/08/54/42/270085442.db2.gz MHBFZEZINYUMQO-IXDOHACOSA-N 1 0 295.373 3.480 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)CC2 ZINC000159926741 274133938 /nfs/dbraw/zinc/13/39/38/274133938.db2.gz XFNHYXJLUSFEMZ-BBRMVZONSA-N 1 0 275.392 3.230 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCOc3ccccc32)CCO1 ZINC000159776520 275860840 /nfs/dbraw/zinc/86/08/40/275860840.db2.gz BCXIPPBHZDONRE-KBPBESRZSA-N 1 0 275.392 3.100 20 70 CGIDRO CCCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160421752 276055746 /nfs/dbraw/zinc/05/57/46/276055746.db2.gz HLWCDFBZXVHGLH-CXAGYDPISA-N 1 0 298.434 3.205 20 70 CGIDRO C[NH2+]C[C@@H]1CCCN([C@@H](C)c2ccc(F)c(Cl)c2)C1 ZINC000218060499 277026731 /nfs/dbraw/zinc/02/67/31/277026731.db2.gz OHIQYUGQUHVWBF-RYUDHWBXSA-N 1 0 284.806 3.472 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(C)c1 ZINC000159599809 321837479 /nfs/dbraw/zinc/83/74/79/321837479.db2.gz OFYXEPHJKVUSSV-ZACQAIPSSA-N 1 0 271.404 3.351 20 70 CGIDRO C[C@@H](CNC(=O)C(C)(C)C1CCCC1)C[NH+]1CCCC1 ZINC000160317567 321849782 /nfs/dbraw/zinc/84/97/82/321849782.db2.gz ULXIWACNVGKGMP-AWEZNQCLSA-N 1 0 280.456 3.051 20 70 CGIDRO CC[C@@H](C[NH2+][C@@H](C)C1CCOCC1)Oc1ccccc1F ZINC000160341084 321850381 /nfs/dbraw/zinc/85/03/81/321850381.db2.gz MKOUXRHNUAAZLC-ZFWWWQNUSA-N 1 0 295.398 3.388 20 70 CGIDRO O[C@H]1CCCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160464320 321852565 /nfs/dbraw/zinc/85/25/65/321852565.db2.gz RALDWDOTXLBUNP-KURKYZTESA-N 1 0 273.420 3.148 20 70 CGIDRO C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160537067 321853125 /nfs/dbraw/zinc/85/31/25/321853125.db2.gz OWMDJWIPHWXERU-UNEWFSDZSA-N 1 0 279.399 3.288 20 70 CGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000160566056 321853697 /nfs/dbraw/zinc/85/36/97/321853697.db2.gz QRCVWGDZMUVWEN-KBPBESRZSA-N 1 0 276.424 3.351 20 70 CGIDRO CC(C)COCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160664152 321855451 /nfs/dbraw/zinc/85/54/51/321855451.db2.gz ONWLISJZBZULCR-QGZVFWFLSA-N 1 0 261.409 3.270 20 70 CGIDRO C[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000161200843 321864067 /nfs/dbraw/zinc/86/40/67/321864067.db2.gz UCYQJILLRKJGOT-KGLIPLIRSA-N 1 0 280.456 3.192 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H](C)COCc1ccccc1)[C@@H]1CCOC1 ZINC000161308166 321865928 /nfs/dbraw/zinc/86/59/28/321865928.db2.gz SCQPJLNVFGDLST-NXHRZFHOSA-N 1 0 291.435 3.244 20 70 CGIDRO CC(C)C[C@@H]1CCCCCN1C(=O)CC[NH2+]C(C)C ZINC000161298178 321866070 /nfs/dbraw/zinc/86/60/70/321866070.db2.gz DRDOUUOEMPCQBZ-HNNXBMFYSA-N 1 0 268.445 3.192 20 70 CGIDRO CCCC[C@H](CC)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000161215930 521179112 /nfs/dbraw/zinc/17/91/12/521179112.db2.gz UNZGYYWYGIAOQX-FHERZECASA-N 1 0 268.445 3.240 20 70 CGIDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160541578 522230377 /nfs/dbraw/zinc/23/03/77/522230377.db2.gz DKIQMNNBFRFOQH-CQSZACIVSA-N 1 0 261.413 3.350 20 70 CGIDRO CC(=O)NC1CCC([NH2+]CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000161482775 519645299 /nfs/dbraw/zinc/64/52/99/519645299.db2.gz YTEFYUIYANPFJG-PMRDFSHISA-N 1 0 280.456 3.240 20 70 CGIDRO CCc1nnc(C[NH2+][C@@H](CC)C(C)(C)c2ccccc2)[nH]1 ZINC000160625463 522347012 /nfs/dbraw/zinc/34/70/12/522347012.db2.gz YUCFMCCFPHYRLW-AWEZNQCLSA-N 1 0 286.423 3.213 20 70 CGIDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)[C@H]1CCOC1 ZINC000160695368 522581256 /nfs/dbraw/zinc/58/12/56/522581256.db2.gz FEPDJTVHCHHRAS-KBPBESRZSA-N 1 0 282.453 3.179 20 70 CGIDRO CC[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc(F)cc1 ZINC000160836533 522816998 /nfs/dbraw/zinc/81/69/98/522816998.db2.gz DUCSADKUIQFMTD-MRXNPFEDSA-N 1 0 292.398 3.315 20 70 CGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CN[C@@H](C)c2cnccn2)C1 ZINC000161016835 523089018 /nfs/dbraw/zinc/08/90/18/523089018.db2.gz MMEINDNUVSGJEY-GJZGRUSLSA-N 1 0 290.455 3.028 20 70 CGIDRO CCn1cc([C@H](C)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000160389942 523473047 /nfs/dbraw/zinc/47/30/47/523473047.db2.gz CZBUOVKLKNHOGS-WMLDXEAASA-N 1 0 292.471 3.064 20 70 CGIDRO Cc1n[nH]cc1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161070598 526546778 /nfs/dbraw/zinc/54/67/78/526546778.db2.gz RCVDVLJPBOREGR-UHFFFAOYSA-N 1 0 296.374 3.239 20 70 CGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCc3ccccc32)c(C)n1 ZINC000160970884 527307001 /nfs/dbraw/zinc/30/70/01/527307001.db2.gz LJTANHGQIMEIGJ-MLGOLLRUSA-N 1 0 281.403 3.474 20 70 CGIDRO CCC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000160349626 528547856 /nfs/dbraw/zinc/54/78/56/528547856.db2.gz UFHIVOIIXZOPGY-UONOGXRCSA-N 1 0 268.445 3.096 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)c1sccc1C(C)C ZINC000160441945 528948251 /nfs/dbraw/zinc/94/82/51/528948251.db2.gz BLEPMMJSCGBBEX-UHFFFAOYSA-N 1 0 268.426 3.119 20 70 CGIDRO CCCc1sc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1CC ZINC000161145134 572337656 /nfs/dbraw/zinc/33/76/56/572337656.db2.gz KEXNEZSAUUMOTL-CHWSQXEVSA-N 1 0 294.464 3.263 20 70 CGIDRO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCOc3ccccc32)C1 ZINC000161091897 282190772 /nfs/dbraw/zinc/19/07/72/282190772.db2.gz LEKPSWFVYIVIEN-BFYDXBDKSA-N 1 0 288.435 3.363 20 70 CGIDRO CCc1ccccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000160712368 529567420 /nfs/dbraw/zinc/56/74/20/529567420.db2.gz CLFLFHBQUWBYBJ-UHFFFAOYSA-N 1 0 276.424 3.098 20 70 CGIDRO Cc1ncc(C[N@@H+](CCc2nccs2)C(C)C)s1 ZINC000159886515 232241102 /nfs/dbraw/zinc/24/11/02/232241102.db2.gz FIKVLWGHACJYKK-UHFFFAOYSA-N 1 0 281.450 3.361 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000161046949 346174279 /nfs/dbraw/zinc/17/42/79/346174279.db2.gz VPGNHNTWYRTURJ-CJNGLKHVSA-N 1 0 292.398 3.123 20 70 CGIDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1(C)C ZINC000217891791 346291875 /nfs/dbraw/zinc/29/18/75/346291875.db2.gz TXMZMXBRQFJCLE-HZPDHXFCSA-N 1 0 272.392 3.461 20 70 CGIDRO Fc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1F ZINC000159514389 188429164 /nfs/dbraw/zinc/42/91/64/188429164.db2.gz JJMIWIWAGURYAO-DFBGVHRSSA-N 1 0 279.330 3.012 20 70 CGIDRO c1cc2c(cccc2C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH]1 ZINC000159572159 188432242 /nfs/dbraw/zinc/43/22/42/188432242.db2.gz WVOHFQQIMWZUEM-PVAVHDDUSA-N 1 0 282.387 3.215 20 70 CGIDRO C[C@@H]([NH2+]CCSc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000160052880 188453294 /nfs/dbraw/zinc/45/32/94/188453294.db2.gz DACSURIMADVIPA-NEPJUHHUSA-N 1 0 285.840 3.447 20 70 CGIDRO FC(F)(F)c1ccc(OCC[NH2+][C@@H]2CCSC2)cc1 ZINC000160505545 188477701 /nfs/dbraw/zinc/47/77/01/188477701.db2.gz KNFHFLGRBBMXBL-LLVKDONJSA-N 1 0 291.338 3.179 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000161008810 188503134 /nfs/dbraw/zinc/50/31/34/188503134.db2.gz LPFLHDUTRMZDLR-SJORKVTESA-N 1 0 292.467 3.051 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1cc2ccccc2o1 ZINC000161247353 188517106 /nfs/dbraw/zinc/51/71/06/188517106.db2.gz NLNAKKDEBSKVQA-UHFFFAOYSA-N 1 0 288.391 3.156 20 70 CGIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1 ZINC000159555088 372155211 /nfs/dbraw/zinc/15/52/11/372155211.db2.gz XZZDYNYAHSJPIO-DZGCQCFKSA-N 1 0 295.448 3.258 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(C)c1 ZINC000159599553 372158856 /nfs/dbraw/zinc/15/88/56/372158856.db2.gz OFYXEPHJKVUSSV-BBWFWOEESA-N 1 0 271.404 3.351 20 70 CGIDRO CN(C)[C@H](C[NH2+]Cc1cc(F)cc(F)c1)c1cccs1 ZINC000159593128 372159545 /nfs/dbraw/zinc/15/95/45/372159545.db2.gz KPNUYFINRUUDRK-CQSZACIVSA-N 1 0 296.386 3.419 20 70 CGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(F)cc1F ZINC000159677383 372168771 /nfs/dbraw/zinc/16/87/71/372168771.db2.gz AAOYIZJJTYSICC-NHYWBVRUSA-N 1 0 294.345 3.168 20 70 CGIDRO CC(C)(C)c1nc(CN2CC[C@@H]3CCCC[C@@H]32)no1 ZINC000159736142 372173500 /nfs/dbraw/zinc/17/35/00/372173500.db2.gz QRDWVFBPSFRXFI-RYUDHWBXSA-N 1 0 263.385 3.132 20 70 CGIDRO Clc1ccc(C[N@H+](CCn2ccnc2)C2CC2)cc1 ZINC000159760139 372175991 /nfs/dbraw/zinc/17/59/91/372175991.db2.gz LEYZAPOCYVQAAM-UHFFFAOYSA-N 1 0 275.783 3.201 20 70 CGIDRO Cc1nccc(NC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000159759283 372176621 /nfs/dbraw/zinc/17/66/21/372176621.db2.gz QXJNBWQVUBLEFK-UHFFFAOYSA-N 1 0 284.407 3.108 20 70 CGIDRO Clc1ccccc1C[C@H]1CCC[N@@H+]1CCn1ccnc1 ZINC000159774262 372177743 /nfs/dbraw/zinc/17/77/43/372177743.db2.gz YFVDANGYSNKYQN-OAHLLOKOSA-N 1 0 289.810 3.244 20 70 CGIDRO COc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(CO)CCCC1 ZINC000160071048 372208323 /nfs/dbraw/zinc/20/83/23/372208323.db2.gz UBBHVDRDJQMWRL-QGZVFWFLSA-N 1 0 289.419 3.215 20 70 CGIDRO OCC1(C[NH2+]C2CC(c3ccccc3F)C2)CCCC1 ZINC000160086393 372210720 /nfs/dbraw/zinc/21/07/20/372210720.db2.gz COHFOGMJZNSMRC-UHFFFAOYSA-N 1 0 277.383 3.214 20 70 CGIDRO CCCc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1 ZINC000160251907 372229312 /nfs/dbraw/zinc/22/93/12/372229312.db2.gz KZJXDDJRNJNGKW-CJNGLKHVSA-N 1 0 281.465 3.404 20 70 CGIDRO C[C@@H](C[NH2+][C@@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159819930 372183343 /nfs/dbraw/zinc/18/33/43/372183343.db2.gz HOOMTGWQLFIGGG-GJZGRUSLSA-N 1 0 284.403 3.377 20 70 CGIDRO C[C@@H]([NH2+]CCC(C)(C)O)c1nc(C(C)(C)C)cs1 ZINC000159838365 372183985 /nfs/dbraw/zinc/18/39/85/372183985.db2.gz XXGUSBPKKPVLFO-SNVBAGLBSA-N 1 0 270.442 3.252 20 70 CGIDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCn2ccnc2)C1 ZINC000159839082 372184826 /nfs/dbraw/zinc/18/48/26/372184826.db2.gz HHKRLIPLENNQRG-CVEARBPZSA-N 1 0 269.392 3.070 20 70 CGIDRO Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)s1 ZINC000160380239 372243146 /nfs/dbraw/zinc/24/31/46/372243146.db2.gz MOYGZRWXWMHFMV-UHFFFAOYSA-N 1 0 288.416 3.048 20 70 CGIDRO CN(C(=O)C[C@H]1CCC[NH2+]1)c1ccc(-c2ccccc2)cc1 ZINC000161083471 372300543 /nfs/dbraw/zinc/30/05/43/372300543.db2.gz OJMOYLYMCUMURU-QGZVFWFLSA-N 1 0 294.398 3.459 20 70 CGIDRO COc1ccccc1C(C)(C)[NH2+]CCCOC(C)C ZINC000160552253 372257536 /nfs/dbraw/zinc/25/75/36/372257536.db2.gz IGGRRHHCLVPPIQ-UHFFFAOYSA-N 1 0 265.397 3.335 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC000160567549 372257646 /nfs/dbraw/zinc/25/76/46/372257646.db2.gz SHZUMUIRYKTTOP-MRXNPFEDSA-N 1 0 299.418 3.018 20 70 CGIDRO CC[C@H](C)C[N@H+](CC)Cc1nc(N)c2ccccc2n1 ZINC000160567830 372259420 /nfs/dbraw/zinc/25/94/20/372259420.db2.gz TXPSMUYHGOWCHJ-LBPRGKRZSA-N 1 0 272.396 3.080 20 70 CGIDRO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C)cc2)c1C ZINC000160636873 372264854 /nfs/dbraw/zinc/26/48/54/372264854.db2.gz DVNCDLYGCVUAHC-UHFFFAOYSA-N 1 0 271.408 3.460 20 70 CGIDRO C[C@H]([NH2+]CC(C)(C)O)c1cc(Cl)ccc1OC(F)F ZINC000160639072 372265108 /nfs/dbraw/zinc/26/51/08/372265108.db2.gz UDMVBRMUXGMREW-QMMMGPOBSA-N 1 0 293.741 3.363 20 70 CGIDRO COC(C[N@@H+]1CCC[C@H]1c1ccc(C)c(C)c1)OC ZINC000160697442 372269945 /nfs/dbraw/zinc/26/99/45/372269945.db2.gz JJHIULHVUKWYPE-HNNXBMFYSA-N 1 0 263.381 3.059 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H]2CCC[NH2+]2)c1C ZINC000160723059 372271235 /nfs/dbraw/zinc/27/12/35/372271235.db2.gz RGETZEVAEQYHSL-RDJZCZTQSA-N 1 0 286.419 3.109 20 70 CGIDRO c1nc2ccccn2c1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000160793396 372275477 /nfs/dbraw/zinc/27/54/77/372275477.db2.gz RHUJZFDYZPYWGR-QGZVFWFLSA-N 1 0 299.418 3.258 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc([C@@H](C)OC)c1 ZINC000161208084 372309135 /nfs/dbraw/zinc/30/91/35/372309135.db2.gz MLNLUPKTOBEHNL-GFCCVEGCSA-N 1 0 278.396 3.098 20 70 CGIDRO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2cnn(C)c2)C1(CC)CC ZINC000161291701 372314800 /nfs/dbraw/zinc/31/48/00/372314800.db2.gz RUYHKXVJQVEZOE-OAGGEKHMSA-N 1 0 293.455 3.445 20 70 CGIDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cnccn2)C1(CC)CC ZINC000161300815 372315907 /nfs/dbraw/zinc/31/59/07/372315907.db2.gz OYONRWVISDMMML-QEJZJMRPSA-N 1 0 277.412 3.111 20 70 CGIDRO CN1CCC([NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000161423118 372323415 /nfs/dbraw/zinc/32/34/15/372323415.db2.gz ZNBPCWHSTUKEQM-HNNXBMFYSA-N 1 0 294.826 3.238 20 70 CGIDRO Cc1nccn1CCC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000161472078 372327205 /nfs/dbraw/zinc/32/72/05/372327205.db2.gz VZARHDGMASFFBF-UHFFFAOYSA-N 1 0 299.418 3.125 20 70 CGIDRO CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc(Cl)c1F ZINC000161494775 372328755 /nfs/dbraw/zinc/32/87/55/372328755.db2.gz DIWFJEQTKYGVGB-CYBMUJFWSA-N 1 0 298.789 3.046 20 70 CGIDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2c1 ZINC000217847486 376179809 /nfs/dbraw/zinc/17/98/09/376179809.db2.gz JSVQKDWKZOYLFG-INIZCTEOSA-N 1 0 275.417 3.043 20 70 CGIDRO c1cc2cccc(C[NH2+]Cc3cccc4c3OCO4)c2[nH]1 ZINC000218125276 376184375 /nfs/dbraw/zinc/18/43/75/376184375.db2.gz WFEHFPQDDNHVHC-UHFFFAOYSA-N 1 0 280.327 3.186 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N(C)[C@H](c1ccccc1)C(C)C ZINC000159756004 542150878 /nfs/dbraw/zinc/15/08/78/542150878.db2.gz XDIYILAAFJYYFP-KRWDZBQOSA-N 1 0 276.424 3.230 20 70 CGIDRO CCC(C)(CC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000159364427 542148568 /nfs/dbraw/zinc/14/85/68/542148568.db2.gz AEQVODZTDMJPCK-CQSZACIVSA-N 1 0 268.445 3.049 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N(C)[C@@H](c1ccccc1)C(C)C ZINC000159756126 542150174 /nfs/dbraw/zinc/15/01/74/542150174.db2.gz XDIYILAAFJYYFP-QGZVFWFLSA-N 1 0 276.424 3.230 20 70 CGIDRO CC(C)(CO)C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000160126759 542152848 /nfs/dbraw/zinc/15/28/48/542152848.db2.gz ULIZRFAKRAIKJY-HNNXBMFYSA-N 1 0 272.392 3.153 20 70 CGIDRO CCCn1nccc1CNCCC[N@H+](C)C1CCCCC1 ZINC000160105326 542153325 /nfs/dbraw/zinc/15/33/25/542153325.db2.gz BMHQKBXPLRAAJZ-UHFFFAOYSA-N 1 0 292.471 3.037 20 70 CGIDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccc2c(c1)OCCO2 ZINC000161280027 542157788 /nfs/dbraw/zinc/15/77/88/542157788.db2.gz NRLMZPAJHWRUPC-INIZCTEOSA-N 1 0 298.386 3.402 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000160081579 392580777 /nfs/dbraw/zinc/58/07/77/392580777.db2.gz JQTRLPFRENKPSM-SUMWQHHRSA-N 1 0 276.424 3.002 20 70 CGIDRO Cc1ccc(C2CC([NH2+][C@@H]3CCN4CCCC[C@@H]34)C2)cc1 ZINC000217691604 270085302 /nfs/dbraw/zinc/08/53/02/270085302.db2.gz PNCSVKYGZHFYCK-GMNCBBECSA-N 1 0 284.447 3.457 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000218775790 270085445 /nfs/dbraw/zinc/08/54/45/270085445.db2.gz PZGMQAZGFUZPFS-SGMGOOAPSA-N 1 0 285.815 3.104 20 70 CGIDRO Cn1cccc1[C@H]1CCCCN1CCC[NH+]1CCCCC1 ZINC000161363994 279370741 /nfs/dbraw/zinc/37/07/41/279370741.db2.gz FTQXCSQYJXKBNC-GOSISDBHSA-N 1 0 289.467 3.428 20 70 CGIDRO CCc1ccc([C@@H](CC)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159515182 288548255 /nfs/dbraw/zinc/54/82/55/288548255.db2.gz WKXSPXOAAUHKSS-QGZVFWFLSA-N 1 0 288.435 3.302 20 70 CGIDRO COc1ccc(C)cc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217677649 295109736 /nfs/dbraw/zinc/10/97/36/295109736.db2.gz LPIUWFRFLIXYKC-UAGQMJEPSA-N 1 0 288.435 3.281 20 70 CGIDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000159418548 321834039 /nfs/dbraw/zinc/83/40/39/321834039.db2.gz NVCNCBRGFOSVKT-HNNXBMFYSA-N 1 0 280.456 3.146 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](Cc1ccc(C)cc1)C(C)C ZINC000160394862 321851069 /nfs/dbraw/zinc/85/10/69/321851069.db2.gz LJVICMQUHOVGNP-SJORKVTESA-N 1 0 295.492 3.266 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc(C3CC3)s2)CCO1 ZINC000160468971 321852208 /nfs/dbraw/zinc/85/22/08/321852208.db2.gz BVBXAOFYSBPBOW-NSHDSACASA-N 1 0 266.410 3.068 20 70 CGIDRO COCC[C@H](C)[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000160807886 521917825 /nfs/dbraw/zinc/91/78/25/521917825.db2.gz VEPVNCBRIBKOHL-LBPRGKRZSA-N 1 0 298.814 3.073 20 70 CGIDRO COC[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)C(C)C ZINC000161371033 522348731 /nfs/dbraw/zinc/34/87/31/522348731.db2.gz FPHZLNADJZFPII-OAHLLOKOSA-N 1 0 265.372 3.118 20 70 CGIDRO Fc1cc(Cl)cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000160969777 526300827 /nfs/dbraw/zinc/30/08/27/526300827.db2.gz QCXWSTHHNPPGKM-HUUCEWRRSA-N 1 0 282.790 3.196 20 70 CGIDRO c1nc2ccccn2c1C[NH+]1CCC2(CCCC2)CC1 ZINC000160553115 526609942 /nfs/dbraw/zinc/60/99/42/526609942.db2.gz ARJSFYIBCWMXHZ-UHFFFAOYSA-N 1 0 269.392 3.491 20 70 CGIDRO c1oc2ccccc2c1CN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000161076059 526627692 /nfs/dbraw/zinc/62/76/92/526627692.db2.gz NVGGOEVAHMHQGO-HZPDHXFCSA-N 1 0 270.376 3.149 20 70 CGIDRO CC(C)(C)c1nc(C[NH2+][C@@H]2CCOC(C)(C)C2)cs1 ZINC000159779125 526864395 /nfs/dbraw/zinc/86/43/95/526864395.db2.gz CJFZKPIMYUUQIG-LLVKDONJSA-N 1 0 282.453 3.488 20 70 CGIDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000160361119 527763652 /nfs/dbraw/zinc/76/36/52/527763652.db2.gz RNKUWDJHQZQBRR-IMJJTQAJSA-N 1 0 280.456 3.238 20 70 CGIDRO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000160349477 528548166 /nfs/dbraw/zinc/54/81/66/528548166.db2.gz UFHIVOIIXZOPGY-KGLIPLIRSA-N 1 0 268.445 3.096 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000160493860 282127888 /nfs/dbraw/zinc/12/78/88/282127888.db2.gz RYFXMQOYVGYOPF-QEORTHHSSA-N 1 0 296.418 3.130 20 70 CGIDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160982964 530057790 /nfs/dbraw/zinc/05/77/90/530057790.db2.gz GPBQNRVHKFDGEB-LLVKDONJSA-N 1 0 290.304 3.028 20 70 CGIDRO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(Cl)cc2F)C1 ZINC000160789237 346172161 /nfs/dbraw/zinc/17/21/61/346172161.db2.gz HMPWKSGEPQQEEE-GFCCVEGCSA-N 1 0 284.806 3.299 20 70 CGIDRO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159964475 188449558 /nfs/dbraw/zinc/44/95/58/188449558.db2.gz KVCBYWHSTXVBCQ-VUCTXSBTSA-N 1 0 287.428 3.479 20 70 CGIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000159429447 372142575 /nfs/dbraw/zinc/14/25/75/372142575.db2.gz UEGOPLZXMGZRKD-MRXNPFEDSA-N 1 0 299.418 3.231 20 70 CGIDRO CC(C)c1ccc(C2(CNC(=O)CC[NH3+])CCCC2)cc1 ZINC000159473182 372147796 /nfs/dbraw/zinc/14/77/96/372147796.db2.gz BDTIXWYEAQDRPG-UHFFFAOYSA-N 1 0 288.435 3.087 20 70 CGIDRO COCC[C@@H](C)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000159553729 372156374 /nfs/dbraw/zinc/15/63/74/372156374.db2.gz LEXDIIYUYZRMOT-ABAIWWIYSA-N 1 0 251.345 3.218 20 70 CGIDRO CC[C@H]([NH2+]CCCc1cccc(F)c1)[C@@H]1CCOC1 ZINC000159796686 372181367 /nfs/dbraw/zinc/18/13/67/372181367.db2.gz PBASLEPGEWHASW-ZBFHGGJFSA-N 1 0 265.372 3.163 20 70 CGIDRO C[N@H+](CCc1c(F)cccc1Cl)C[C@@H]1CCC[C@@H]1O ZINC000159590524 372158764 /nfs/dbraw/zinc/15/87/64/372158764.db2.gz NAMGFTUIAMHPBJ-NHYWBVRUSA-N 1 0 285.790 3.114 20 70 CGIDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(C(C)(C)C)s1 ZINC000159625283 372162328 /nfs/dbraw/zinc/16/23/28/372162328.db2.gz PVCSZNWGISSBTD-VXGBXAGGSA-N 1 0 294.464 3.131 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCCc3occc32)cc1 ZINC000159635692 372163263 /nfs/dbraw/zinc/16/32/63/372163263.db2.gz DBHDNJFJEOOLJO-MRXNPFEDSA-N 1 0 298.386 3.149 20 70 CGIDRO CCC[NH+]1CCC(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159650055 372165203 /nfs/dbraw/zinc/16/52/03/372165203.db2.gz NUEIDOSICYPXFT-UHFFFAOYSA-N 1 0 294.483 3.441 20 70 CGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000159668986 372166001 /nfs/dbraw/zinc/16/60/01/372166001.db2.gz JNZRPXWCOAVQNW-HZPDHXFCSA-N 1 0 277.408 3.089 20 70 CGIDRO COc1cccc2cc([C@H](C)[NH2+]CCc3cnn(C)c3)oc21 ZINC000159756141 372175367 /nfs/dbraw/zinc/17/53/67/372175367.db2.gz CMNHQKPZORHRHR-LBPRGKRZSA-N 1 0 299.374 3.068 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2CC[NH+]2CCCCC2)n1 ZINC000159780680 372179331 /nfs/dbraw/zinc/17/93/31/372179331.db2.gz ZXEFXRXHBXVUKJ-KRWDZBQOSA-N 1 0 273.424 3.013 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccccc21 ZINC000160124085 372215858 /nfs/dbraw/zinc/21/58/58/372215858.db2.gz AJACHZJGYRVYPG-GOEBONIOSA-N 1 0 276.424 3.220 20 70 CGIDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000160220107 372225620 /nfs/dbraw/zinc/22/56/20/372225620.db2.gz VYHUDTZGMQJHGM-MRXNPFEDSA-N 1 0 280.456 3.195 20 70 CGIDRO Cc1cnc(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1C ZINC000160231064 372227557 /nfs/dbraw/zinc/22/75/57/372227557.db2.gz NUJNPPSSSDNWSE-YOEHRIQHSA-N 1 0 296.418 3.026 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(-n2ccnn2)cc1 ZINC000159869439 372188931 /nfs/dbraw/zinc/18/89/31/372188931.db2.gz HPLJIANFRVANDR-KBPBESRZSA-N 1 0 293.374 3.074 20 70 CGIDRO CC[C@H]([NH2+]C[C@@H]1CCc2ccccc21)[C@H]1CCOC1 ZINC000160994194 372293069 /nfs/dbraw/zinc/29/30/69/372293069.db2.gz URQMWVYICJHHHU-ZOBUZTSGSA-N 1 0 259.393 3.121 20 70 CGIDRO CCC([NH3+])(CC)CNC(=O)C[C@@H](c1ccccc1)C(C)C ZINC000160419722 372246442 /nfs/dbraw/zinc/24/64/42/372246442.db2.gz JDPFXPKDHOQLDI-MRXNPFEDSA-N 1 0 290.451 3.450 20 70 CGIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161090250 372300290 /nfs/dbraw/zinc/30/02/90/372300290.db2.gz FJOUORHHJOHCBY-KRWDZBQOSA-N 1 0 298.386 3.079 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cccc3cc[nH]c32)CCO1 ZINC000160438312 372248278 /nfs/dbraw/zinc/24/82/78/372248278.db2.gz YBZPXYMORAXGKA-CQSZACIVSA-N 1 0 258.365 3.215 20 70 CGIDRO CC(C)Cc1ncc(C[NH2+][C@@H]2CCOC(C)(C)C2)s1 ZINC000160563272 372257853 /nfs/dbraw/zinc/25/78/53/372257853.db2.gz UXIHPXXVKRWHAV-GFCCVEGCSA-N 1 0 282.453 3.389 20 70 CGIDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(C)(C)O ZINC000160621284 372262761 /nfs/dbraw/zinc/26/27/61/372262761.db2.gz WVLZAICZGAWCSA-MNOVXSKESA-N 1 0 278.421 3.149 20 70 CGIDRO COc1cc(C)c([C@@H](C)[NH2+]CCOCC(C)C)cc1OC ZINC000160665187 372266470 /nfs/dbraw/zinc/26/64/70/372266470.db2.gz JSSGQSDSVZIATQ-CQSZACIVSA-N 1 0 295.423 3.335 20 70 CGIDRO Cn1ccc(C[N@H+](C)Cc2ccc(Br)cc2)c1 ZINC000160799005 372277413 /nfs/dbraw/zinc/27/74/13/372277413.db2.gz NLOWKMYZCIZHKI-UHFFFAOYSA-N 1 0 293.208 3.420 20 70 CGIDRO CCOc1cccc(CN(C)Cc2ccc(C)o2)n1 ZINC000160859795 372283596 /nfs/dbraw/zinc/28/35/96/372283596.db2.gz QQIUYKVPDZEJDA-UHFFFAOYSA-N 1 0 260.337 3.014 20 70 CGIDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000160891398 372286123 /nfs/dbraw/zinc/28/61/23/372286123.db2.gz YPKLQXHHWGTKTQ-QGZVFWFLSA-N 1 0 292.398 3.125 20 70 CGIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)c1ccc(C(C)C)cc1 ZINC000161460598 372326874 /nfs/dbraw/zinc/32/68/74/372326874.db2.gz ZARUKFIPDWAOGU-DOMZBBRYSA-N 1 0 262.397 3.146 20 70 CGIDRO CC[C@@H](C)[C@@H](C)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160931961 321860148 /nfs/dbraw/zinc/86/01/48/321860148.db2.gz KYWHOEMYZXTCMS-HUUCEWRRSA-N 1 0 297.487 3.184 20 70 CGIDRO FC(F)(F)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC000217360026 376172330 /nfs/dbraw/zinc/17/23/30/376172330.db2.gz BIVVMANDXILWOB-RYUDHWBXSA-N 1 0 285.313 3.139 20 70 CGIDRO C[C@@H]([NH2+]Cc1cccc2cc[nH]c21)c1ccccn1 ZINC000218063714 376183066 /nfs/dbraw/zinc/18/30/66/376183066.db2.gz QAWZNFMUGAHRPV-GFCCVEGCSA-N 1 0 251.333 3.414 20 70 CGIDRO CN1CC[NH+](Cc2ccc(-c3ccc(F)cc3)s2)CC1 ZINC000218043571 376183452 /nfs/dbraw/zinc/18/34/52/376183452.db2.gz YBASUIQUNBRBGT-UHFFFAOYSA-N 1 0 290.407 3.302 20 70 CGIDRO CC(C)C[C@H](C[NH2+]Cc1cccc2cc[nH]c21)N(C)C ZINC000218099840 376184337 /nfs/dbraw/zinc/18/43/37/376184337.db2.gz MWBNMMNQPOSUBI-MRXNPFEDSA-N 1 0 273.424 3.234 20 70 CGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc2cc[nH]c21 ZINC000218104968 376185060 /nfs/dbraw/zinc/18/50/60/376185060.db2.gz WEADTBLHMSYGLR-OAHLLOKOSA-N 1 0 280.375 3.069 20 70 CGIDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000218248622 376186387 /nfs/dbraw/zinc/18/63/87/376186387.db2.gz UTNIBJGCMXHQTE-NHYWBVRUSA-N 1 0 269.360 3.036 20 70 CGIDRO CCC(C)(CC)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000159477218 542149655 /nfs/dbraw/zinc/14/96/55/542149655.db2.gz YKMOCRMFBRAFJA-CQSZACIVSA-N 1 0 268.445 3.193 20 70 CGIDRO CCn1nccc1C[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000159943945 542151752 /nfs/dbraw/zinc/15/17/52/542151752.db2.gz YFNVSUBIWWDFKY-QGZVFWFLSA-N 1 0 271.408 3.432 20 70 CGIDRO Cc1cccc([C@H]2CCCN2C(=O)CC2([NH3+])CCC2)c1C ZINC000160723700 542154754 /nfs/dbraw/zinc/15/47/54/542154754.db2.gz FBSTWVFVGWREOV-MRXNPFEDSA-N 1 0 286.419 3.238 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000160053636 542153287 /nfs/dbraw/zinc/15/32/87/542153287.db2.gz RPHGVPPZSRQERS-GFCCVEGCSA-N 1 0 291.370 3.292 20 70 CGIDRO CC(C)[NH2+]CCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F ZINC000161043393 542157335 /nfs/dbraw/zinc/15/73/35/542157335.db2.gz FCMYFEHSUUOOIN-CJNGLKHVSA-N 1 0 292.398 3.123 20 70 CGIDRO CCC[C@H]([NH2+][C@H](CCO)CSC)c1ccccc1 ZINC000160148538 392582536 /nfs/dbraw/zinc/58/25/36/392582536.db2.gz RYUSPLYNNVEROO-CABCVRRESA-N 1 0 267.438 3.231 20 70 CGIDRO c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)cs1 ZINC000217956976 392995899 /nfs/dbraw/zinc/99/58/99/392995899.db2.gz AIPAKINBFHEAMN-WCQGTBRESA-N 1 0 275.377 3.391 20 70 CGIDRO C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(F)c1 ZINC000217696461 278274615 /nfs/dbraw/zinc/27/46/15/278274615.db2.gz AUDJPNAJVXHOJZ-MAZHCROVSA-N 1 0 262.372 3.103 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1nc2ccccc2n1C ZINC000159935199 278385385 /nfs/dbraw/zinc/38/53/85/278385385.db2.gz GRMKFTXSBIVWQK-OLZOCXBDSA-N 1 0 287.407 3.182 20 70 CGIDRO [NH3+]CCC(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000160982158 295224777 /nfs/dbraw/zinc/22/47/77/295224777.db2.gz VBJKNBZLTUWLNG-CQSZACIVSA-N 1 0 280.799 3.133 20 70 CGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000159922522 321842838 /nfs/dbraw/zinc/84/28/38/321842838.db2.gz LVMZSHGXGWFGDT-MRXNPFEDSA-N 1 0 292.423 3.186 20 70 CGIDRO CC(C)(C)OC(=O)N1CCC(C[NH2+]C2(C)CCC2)CC1 ZINC000159922267 321843009 /nfs/dbraw/zinc/84/30/09/321843009.db2.gz XWIUSILINCEMOR-UHFFFAOYSA-N 1 0 282.428 3.166 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCn1cccn1 ZINC000160104242 321846675 /nfs/dbraw/zinc/84/66/75/321846675.db2.gz UYHVSMDRPJYIOW-QBFSEMIESA-N 1 0 275.783 3.230 20 70 CGIDRO CC[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)C ZINC000160611928 321854880 /nfs/dbraw/zinc/85/48/80/321854880.db2.gz MUFLLQPDGMKKEV-GOSISDBHSA-N 1 0 290.451 3.043 20 70 CGIDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](CO)c1ccccc1 ZINC000161459474 321868022 /nfs/dbraw/zinc/86/80/22/321868022.db2.gz JQNUAWGWIUYOBQ-WBVHZDCISA-N 1 0 261.409 3.487 20 70 CGIDRO CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160764417 521473330 /nfs/dbraw/zinc/47/33/30/521473330.db2.gz DCBOZLNVZHHXPC-PBWFPOADSA-N 1 0 282.428 3.259 20 70 CGIDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1F ZINC000161399999 534601386 /nfs/dbraw/zinc/60/13/86/534601386.db2.gz CQGPXPAGKPLMNG-UHFFFAOYSA-N 1 0 292.398 3.128 20 70 CGIDRO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)C(C)C ZINC000160807126 522587838 /nfs/dbraw/zinc/58/78/38/522587838.db2.gz SYHDGZUYRQOSEB-LBPRGKRZSA-N 1 0 253.390 3.150 20 70 CGIDRO C[C@H](CNC(=O)[C@@H]1CCC[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000161212657 524440860 /nfs/dbraw/zinc/44/08/60/524440860.db2.gz RPSIEGSTCSOSFN-BZUAXINKSA-N 1 0 280.456 3.051 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(F)ccc1F ZINC000161020130 525679788 /nfs/dbraw/zinc/67/97/88/525679788.db2.gz HASNSYCWBQBDHU-XBFCOCLRSA-N 1 0 282.378 3.488 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)cc(F)c1 ZINC000160111806 529344016 /nfs/dbraw/zinc/34/40/16/529344016.db2.gz AQSLFMFPYNQDBF-NEPJUHHUSA-N 1 0 270.367 3.346 20 70 CGIDRO CC[C@@H](CCO)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000160152897 529470918 /nfs/dbraw/zinc/47/09/18/529470918.db2.gz LJCPGXJNURGXFL-JTQLQIEISA-N 1 0 279.277 3.095 20 70 CGIDRO C[N@H+](Cc1ccc(CO)o1)Cc1ccc(OC(F)F)cc1 ZINC000160625511 529984454 /nfs/dbraw/zinc/98/44/54/529984454.db2.gz FLIRIZHGGTVFOE-UHFFFAOYSA-N 1 0 297.301 3.005 20 70 CGIDRO CCOc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)ccc1OC ZINC000160552758 188480744 /nfs/dbraw/zinc/48/07/44/188480744.db2.gz QFMILKFTYVLCJB-AWEZNQCLSA-N 1 0 293.407 3.141 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1nc2c(cccc2C)s1 ZINC000161166047 188512488 /nfs/dbraw/zinc/51/24/88/188512488.db2.gz IBAMDAJMSQQMLA-UHFFFAOYSA-N 1 0 291.420 3.308 20 70 CGIDRO C[NH2+]C[C@H](C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000161295148 188520501 /nfs/dbraw/zinc/52/05/01/188520501.db2.gz FXUINKBGIIXIHI-UOVKNHIHSA-N 1 0 294.826 3.009 20 70 CGIDRO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000218760820 376189568 /nfs/dbraw/zinc/18/95/68/376189568.db2.gz LESVBULOCRFKJC-LJQANCHMSA-N 1 0 299.389 3.394 20 70 CGIDRO CCOCCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000159366125 372135746 /nfs/dbraw/zinc/13/57/46/372135746.db2.gz IIACLUWEBSKXDM-NSHDSACASA-N 1 0 257.324 3.384 20 70 CGIDRO COCc1ccccc1C[NH2+]Cc1cccc2c1NCC2 ZINC000159377638 372137682 /nfs/dbraw/zinc/13/76/82/372137682.db2.gz DCKVEXRNXRWLAW-UHFFFAOYSA-N 1 0 282.387 3.091 20 70 CGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000159423134 372142632 /nfs/dbraw/zinc/14/26/32/372142632.db2.gz NFABLRGULXMWNQ-CZUORRHYSA-N 1 0 271.445 3.109 20 70 CGIDRO Cc1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159477636 372147491 /nfs/dbraw/zinc/14/74/91/372147491.db2.gz FIHCJSVEIACDBL-JYJNAYRXSA-N 1 0 257.377 3.042 20 70 CGIDRO CCn1cc([C@H](C)[NH2+]CCc2cc(C)cc(C)c2)cn1 ZINC000159487792 372149157 /nfs/dbraw/zinc/14/91/57/372149157.db2.gz SMXAWNZWUPJOFE-HNNXBMFYSA-N 1 0 271.408 3.413 20 70 CGIDRO C[C@@H]([NH2+]CCCN1CCCCCC1=O)c1ccccc1 ZINC000159554083 372155523 /nfs/dbraw/zinc/15/55/23/372155523.db2.gz SBJZZYHILOCSIO-OAHLLOKOSA-N 1 0 274.408 3.130 20 70 CGIDRO Fc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000159616334 372160691 /nfs/dbraw/zinc/16/06/91/372160691.db2.gz GZVXXRXIBPUTRW-CFVMTHIKSA-N 1 0 279.330 3.012 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1 ZINC000159623161 372162616 /nfs/dbraw/zinc/16/26/16/372162616.db2.gz GQVJJKYAFWSDKV-MJBXVCDLSA-N 1 0 263.406 3.104 20 70 CGIDRO CCc1ccc([C@@H](CNC(=O)C2=CCCC2)[NH+](C)C)cc1 ZINC000159653144 372165142 /nfs/dbraw/zinc/16/51/42/372165142.db2.gz VTWZDDYMENGFJM-QGZVFWFLSA-N 1 0 286.419 3.078 20 70 CGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCc2ccccn2)n1 ZINC000159752223 372175206 /nfs/dbraw/zinc/17/52/06/372175206.db2.gz RDRUIIGUJSAPPH-QGZVFWFLSA-N 1 0 267.376 3.165 20 70 CGIDRO C[C@H](C[NH2+][C@H](C)c1ccco1)N1CCc2ccccc2C1 ZINC000159820325 372182591 /nfs/dbraw/zinc/18/25/91/372182591.db2.gz HOOMTGWQLFIGGG-HUUCEWRRSA-N 1 0 284.403 3.377 20 70 CGIDRO CN(Cc1ccc(Cl)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159765372 372178667 /nfs/dbraw/zinc/17/86/67/372178667.db2.gz QMQRBXKWSLPQLV-OAHLLOKOSA-N 1 0 289.810 3.057 20 70 CGIDRO c1cn(CC[N@@H+]2CCC[C@@H]2CC2CCCCC2)cn1 ZINC000159784570 372179363 /nfs/dbraw/zinc/17/93/63/372179363.db2.gz WJLZRXSJMPTMGB-MRXNPFEDSA-N 1 0 261.413 3.318 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000160075125 372210620 /nfs/dbraw/zinc/21/06/20/372210620.db2.gz DFWVKTFKALBEPO-CZUORRHYSA-N 1 0 294.414 3.359 20 70 CGIDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)C1CC1 ZINC000160142225 372216266 /nfs/dbraw/zinc/21/62/66/372216266.db2.gz GBUWHDFASOQBHK-INIZCTEOSA-N 1 0 264.388 3.036 20 70 CGIDRO CCc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)o1 ZINC000160136679 372216760 /nfs/dbraw/zinc/21/67/60/372216760.db2.gz KDJNLKJCEMDYQD-ABAIWWIYSA-N 1 0 279.405 3.462 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCCCO2)n1 ZINC000159826901 372185430 /nfs/dbraw/zinc/18/54/30/372185430.db2.gz GWOKRMQJMBYQOW-HOCLYGCPSA-N 1 0 260.381 3.096 20 70 CGIDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159925199 372194144 /nfs/dbraw/zinc/19/41/44/372194144.db2.gz ZQGRWDCQBJRXKG-LSDHHAIUSA-N 1 0 294.483 3.392 20 70 CGIDRO CCCN(Cc1ccncc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000159962970 372198046 /nfs/dbraw/zinc/19/80/46/372198046.db2.gz SJJQAJIYHLSRRF-OAHLLOKOSA-N 1 0 297.402 3.321 20 70 CGIDRO COCC[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161037996 372296422 /nfs/dbraw/zinc/29/64/22/372296422.db2.gz BMYMPXSYWXMLRJ-SUMWQHHRSA-N 1 0 293.407 3.170 20 70 CGIDRO CSC[C@H](CCO)[NH2+][C@H](Cc1ccc(C)cc1)C(C)C ZINC000160394756 372244349 /nfs/dbraw/zinc/24/43/49/372244349.db2.gz LJVICMQUHOVGNP-DLBZAZTESA-N 1 0 295.492 3.266 20 70 CGIDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2NC(C)=O)C1 ZINC000160466097 372250290 /nfs/dbraw/zinc/25/02/90/372250290.db2.gz KDLMHDFPPFWNNS-HUUCEWRRSA-N 1 0 292.448 3.409 20 70 CGIDRO CCC[N@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000160477735 372251837 /nfs/dbraw/zinc/25/18/37/372251837.db2.gz VTJBJSWILANYIZ-UHFFFAOYSA-N 1 0 257.381 3.315 20 70 CGIDRO CCC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000160481354 372252090 /nfs/dbraw/zinc/25/20/90/372252090.db2.gz LIAMLGNVRPCFKA-UHFFFAOYSA-N 1 0 288.416 3.259 20 70 CGIDRO CC1(C)C[C@H]([NH2+]CC2=Cc3ccccc3OC2)CCO1 ZINC000160516376 372254290 /nfs/dbraw/zinc/25/42/90/372254290.db2.gz CYZUZFYQHDSCDC-OAHLLOKOSA-N 1 0 273.376 3.010 20 70 CGIDRO COc1cc(C)ccc1CNc1ccnc(C2CC2)n1 ZINC000160521314 372254404 /nfs/dbraw/zinc/25/44/04/372254404.db2.gz UCWGLMAUCYQQBQ-UHFFFAOYSA-N 1 0 269.348 3.283 20 70 CGIDRO Brc1cncc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000160584616 372259801 /nfs/dbraw/zinc/25/98/01/372259801.db2.gz NOXPURIOIVHLDX-GFCCVEGCSA-N 1 0 267.170 3.042 20 70 CGIDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1ccc(F)cc1F ZINC000160859443 372283708 /nfs/dbraw/zinc/28/37/08/372283708.db2.gz XUXOTXSIMCCAKD-IINYFYTJSA-N 1 0 257.324 3.431 20 70 CGIDRO CC[C@H]([NH2+]CC1(C)COC1)c1ccc(F)cc1F ZINC000160915190 372287643 /nfs/dbraw/zinc/28/76/43/372287643.db2.gz SCYHUHBFXFFNNT-ZDUSSCGKSA-N 1 0 255.308 3.042 20 70 CGIDRO CC[C@@H](CNC(=O)C(CC)(CC)C[NH3+])c1ccccc1 ZINC000161168182 372307668 /nfs/dbraw/zinc/30/76/68/372307668.db2.gz VOPXHIAFOQPJTP-AWEZNQCLSA-N 1 0 276.424 3.062 20 70 CGIDRO CCC[N@H+](CCO)Cc1cnc(C2CCCC2)s1 ZINC000161205082 372309994 /nfs/dbraw/zinc/30/99/94/372309994.db2.gz LZACTOGXFMJBAG-UHFFFAOYSA-N 1 0 268.426 3.005 20 70 CGIDRO c1cc([C@@H]2CCCN2CCC[NH+]2CCCCC2)ccn1 ZINC000161459809 372327721 /nfs/dbraw/zinc/32/77/21/372327721.db2.gz HLONFDQAUHMAMV-KRWDZBQOSA-N 1 0 273.424 3.095 20 70 CGIDRO CCc1oc2ccccc2c1C[NH2+]C[C@@](C)(O)CSC ZINC000217861820 376181549 /nfs/dbraw/zinc/18/15/49/376181549.db2.gz AVPBZCVNHSSXMX-MRXNPFEDSA-N 1 0 293.432 3.199 20 70 CGIDRO CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071662 376182608 /nfs/dbraw/zinc/18/26/08/376182608.db2.gz HWKGKIDXXLGJQM-BBRMVZONSA-N 1 0 264.388 3.208 20 70 CGIDRO OCC[N@H+](Cc1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000218312442 376186887 /nfs/dbraw/zinc/18/68/87/376186887.db2.gz IUSSXZDJLOZZNJ-UHFFFAOYSA-N 1 0 293.769 3.474 20 70 CGIDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)C1CC1)CC2 ZINC000159554981 542149758 /nfs/dbraw/zinc/14/97/58/542149758.db2.gz FRFMRLAXCUBWIP-MLGOLLRUSA-N 1 0 259.393 3.188 20 70 CGIDRO CC1(C)C[C@H]([NH2+]Cc2cccc3cnccc32)CCO1 ZINC000159922047 542152155 /nfs/dbraw/zinc/15/21/55/542152155.db2.gz MNGOZBVDNOOODI-OAHLLOKOSA-N 1 0 270.376 3.282 20 70 CGIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000159920650 542151420 /nfs/dbraw/zinc/15/14/20/542151420.db2.gz HJOYJEJRYRHEDC-NSHDSACASA-N 1 0 295.333 3.355 20 70 CGIDRO CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc(C[NH3+])o1 ZINC000159916293 542151725 /nfs/dbraw/zinc/15/17/25/542151725.db2.gz FDIFNDJELQKBTL-ZDUSSCGKSA-N 1 0 278.396 3.169 20 70 CGIDRO CSC[C@@](C)(O)C[NH2+]Cc1cccc2ccccc21 ZINC000217867036 130764338 /nfs/dbraw/zinc/76/43/38/130764338.db2.gz INFDIORLHNDVPM-INIZCTEOSA-N 1 0 275.417 3.043 20 70 CGIDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)c2cccc(Br)c21 ZINC000160636220 392583470 /nfs/dbraw/zinc/58/34/70/392583470.db2.gz ZBMYGMTYWVCIPS-BXKDBHETSA-N 1 0 298.224 3.358 20 70 CGIDRO Cc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C ZINC000159694881 165466468 /nfs/dbraw/zinc/46/64/68/165466468.db2.gz VDQSLSZIXTUOHB-CVEARBPZSA-N 1 0 276.424 3.182 20 70 CGIDRO O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000218761089 270085384 /nfs/dbraw/zinc/08/53/84/270085384.db2.gz MPLJGKQPUZBUGA-KSZLIROESA-N 1 0 273.420 3.245 20 70 CGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000159458294 280050594 /nfs/dbraw/zinc/05/05/94/280050594.db2.gz ZGGNZTPAMCPIEG-MJBXVCDLSA-N 1 0 257.443 3.065 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCSC1)CCCO2 ZINC000159531392 295276068 /nfs/dbraw/zinc/27/60/68/295276068.db2.gz VGDPNMCNYTXHBR-SWLSCSKDSA-N 1 0 293.432 3.394 20 70 CGIDRO c1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000159608559 304858365 /nfs/dbraw/zinc/85/83/65/304858365.db2.gz ZTPLCCXOAMJPNP-TZMCWYRMSA-N 1 0 263.406 3.386 20 70 CGIDRO CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCC[NH3+] ZINC000160079681 321846277 /nfs/dbraw/zinc/84/62/77/321846277.db2.gz NJVXHSVMRBEYIU-HNNXBMFYSA-N 1 0 282.815 3.234 20 70 CGIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160572508 321853621 /nfs/dbraw/zinc/85/36/21/321853621.db2.gz XROTXJYZPHPOHX-HZPDHXFCSA-N 1 0 290.451 3.043 20 70 CGIDRO C[C@H]1CCC[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000161200972 321864213 /nfs/dbraw/zinc/86/42/13/321864213.db2.gz UCYQJILLRKJGOT-KBPBESRZSA-N 1 0 280.456 3.192 20 70 CGIDRO O=C(CCC[NH+]1C[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC000160039291 534344307 /nfs/dbraw/zinc/34/43/07/534344307.db2.gz FLHWJOLJAZMEJK-HOTGVXAUSA-N 1 0 257.377 3.381 20 70 CGIDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000159478727 518960246 /nfs/dbraw/zinc/96/02/46/518960246.db2.gz UPKXSLQNJQDHPS-CQSZACIVSA-N 1 0 292.427 3.159 20 70 CGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000161208793 521602587 /nfs/dbraw/zinc/60/25/87/521602587.db2.gz QTNBVCQJUDQTBQ-KBPBESRZSA-N 1 0 250.386 3.113 20 70 CGIDRO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000161268164 523664024 /nfs/dbraw/zinc/66/40/24/523664024.db2.gz XLEPPQLKAQLLCZ-IAGOWNOFSA-N 1 0 276.424 3.051 20 70 CGIDRO COCCOCCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000160891223 523991652 /nfs/dbraw/zinc/99/16/52/523991652.db2.gz DEQYMSDWANOMHU-UHFFFAOYSA-N 1 0 289.778 3.012 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](C)N(C)Cc1ccccc1)c1ccco1 ZINC000160876409 525472033 /nfs/dbraw/zinc/47/20/33/525472033.db2.gz LCEKSWFGMVROKQ-HUUCEWRRSA-N 1 0 272.392 3.451 20 70 CGIDRO CCC(C)(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000160349773 528549191 /nfs/dbraw/zinc/54/91/91/528549191.db2.gz UFHIVOIIXZOPGY-KBPBESRZSA-N 1 0 268.445 3.096 20 70 CGIDRO CCOCCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000159715278 528659932 /nfs/dbraw/zinc/65/99/32/528659932.db2.gz LKEUUPRFXVFCJE-UHFFFAOYSA-N 1 0 291.435 3.137 20 70 CGIDRO C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000217665795 572869189 /nfs/dbraw/zinc/86/91/89/572869189.db2.gz LMPHKVODNGAGTR-AWEZNQCLSA-N 1 0 286.419 3.378 20 70 CGIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000161202539 572883249 /nfs/dbraw/zinc/88/32/49/572883249.db2.gz CVECJWWLDXNOQZ-CQSZACIVSA-N 1 0 295.423 3.077 20 70 CGIDRO Cc1nc2ccccn2c1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000161442922 282089477 /nfs/dbraw/zinc/08/94/77/282089477.db2.gz POIUEOFCZRKTBL-CYBMUJFWSA-N 1 0 257.381 3.263 20 70 CGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CC[C@H](C)c3ccccc31)CC2 ZINC000160493747 282118223 /nfs/dbraw/zinc/11/82/23/282118223.db2.gz RYFXMQOYVGYOPF-RVSPLBMKSA-N 1 0 296.418 3.130 20 70 CGIDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1Br ZINC000160533318 232245543 /nfs/dbraw/zinc/24/55/43/232245543.db2.gz PMNBRNBCFOGFNE-IUCAKERBSA-N 1 0 272.161 3.334 20 70 CGIDRO OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Cl)cc1F ZINC000160822014 232246779 /nfs/dbraw/zinc/24/67/79/232246779.db2.gz XYTAKEJXCWESBR-OAHLLOKOSA-N 1 0 293.769 3.172 20 70 CGIDRO CCOc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000160540096 346171469 /nfs/dbraw/zinc/17/14/69/346171469.db2.gz BLPHMKMXJINTCO-LXZKKBNFSA-N 1 0 277.408 3.287 20 70 CGIDRO CC[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000160931989 346173614 /nfs/dbraw/zinc/17/36/14/346173614.db2.gz GJDTVMSJFDOIQE-HZPDHXFCSA-N 1 0 281.371 3.062 20 70 CGIDRO CC(C)CCOc1ccc(NC(=O)CC[NH2+]C(C)C)cc1 ZINC000161381896 346175183 /nfs/dbraw/zinc/17/51/83/346175183.db2.gz WYRJQQZJQCSUBZ-UHFFFAOYSA-N 1 0 292.423 3.438 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000160329132 188466669 /nfs/dbraw/zinc/46/66/69/188466669.db2.gz XFUDZILLZUGMGG-GDBMZVCRSA-N 1 0 277.408 3.203 20 70 CGIDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cncc(Br)c1 ZINC000160576075 188480842 /nfs/dbraw/zinc/48/08/42/188480842.db2.gz IZMUYBZAOBSQJD-BXKDBHETSA-N 1 0 269.186 3.122 20 70 CGIDRO OC[C@@H](C[NH2+][C@H]1CCc2ccccc21)c1ccccc1 ZINC000161449900 188528320 /nfs/dbraw/zinc/52/83/20/188528320.db2.gz HSAWMQVKAUGQCR-AEFFLSMTSA-N 1 0 267.372 3.040 20 70 CGIDRO CCC[C@@H]([NH2+][C@@H](CCO)CSC)c1ccc(OC)cc1 ZINC000160185170 283567959 /nfs/dbraw/zinc/56/79/59/283567959.db2.gz UWYSVYIDRQKBMT-GOEBONIOSA-N 1 0 297.464 3.240 20 70 CGIDRO CCCCN(C(=O)[C@H](C)[NH3+])[C@H](CC)c1ccccc1 ZINC000159781307 372180052 /nfs/dbraw/zinc/18/00/52/372180052.db2.gz NOOFOWZBYWXUKV-DZGCQCFKSA-N 1 0 262.397 3.114 20 70 CGIDRO C[C@H](CSC(C)(C)C)[NH2+]Cc1cn2ccccc2n1 ZINC000159420711 372141314 /nfs/dbraw/zinc/14/13/14/372141314.db2.gz IYELVIIOJIIYQL-GFCCVEGCSA-N 1 0 277.437 3.344 20 70 CGIDRO CC(C)c1ccc(C2(CNC(=O)[C@@H](C)[NH3+])CCCC2)cc1 ZINC000159473308 372147531 /nfs/dbraw/zinc/14/75/31/372147531.db2.gz UQZZIGVBRFZOBA-CQSZACIVSA-N 1 0 288.435 3.085 20 70 CGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)CC2CC2)cc1 ZINC000159503479 372150416 /nfs/dbraw/zinc/15/04/16/372150416.db2.gz VCYQTRXNBNGRJE-CHWSQXEVSA-N 1 0 295.448 3.319 20 70 CGIDRO CCCc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000159512232 372150763 /nfs/dbraw/zinc/15/07/63/372150763.db2.gz ZAPNBGIURDBQQQ-OAHLLOKOSA-N 1 0 288.435 3.302 20 70 CGIDRO CCN(CC)C(=O)C1CC[NH+](CCC2CCCC2)CC1 ZINC000159805305 372181606 /nfs/dbraw/zinc/18/16/06/372181606.db2.gz ZAJWLRLBZKCGCB-UHFFFAOYSA-N 1 0 280.456 3.147 20 70 CGIDRO C[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)cc1Cl ZINC000159626542 372162572 /nfs/dbraw/zinc/16/25/72/372162572.db2.gz JGFRENDNLQTPKK-UMNHJUIQSA-N 1 0 298.789 3.174 20 70 CGIDRO CCSCC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159702282 372172151 /nfs/dbraw/zinc/17/21/51/372172151.db2.gz QUMWNHQBQRZZNX-AWEZNQCLSA-N 1 0 250.411 3.280 20 70 CGIDRO CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1(C)C ZINC000159767648 372178031 /nfs/dbraw/zinc/17/80/31/372178031.db2.gz YNINTOZDQVTZKB-LVQVYYBASA-N 1 0 282.472 3.043 20 70 CGIDRO CCCO[C@H]1CCC[N@H+](Cc2ccc(C)cn2)CC1 ZINC000160109105 372214044 /nfs/dbraw/zinc/21/40/44/372214044.db2.gz IZIYMOOVEYFCII-INIZCTEOSA-N 1 0 262.397 3.171 20 70 CGIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2cccnc2)C[C@@H]1OC ZINC000160109735 372214472 /nfs/dbraw/zinc/21/44/72/372214472.db2.gz PYSKPZJXSUEWBK-CFVMTHIKSA-N 1 0 262.397 3.326 20 70 CGIDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cnn(Cc2ccccc2)c1 ZINC000160137045 372216452 /nfs/dbraw/zinc/21/64/52/372216452.db2.gz QIVCIKOLBWHXHU-UONOGXRCSA-N 1 0 269.392 3.381 20 70 CGIDRO CC[C@]1(C)C[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160166085 372220456 /nfs/dbraw/zinc/22/04/56/372220456.db2.gz NBCCMSJCMOHLHE-FUHWJXTLSA-N 1 0 288.435 3.061 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000160342088 372239035 /nfs/dbraw/zinc/23/90/35/372239035.db2.gz ZLCJJCCPAPGUET-CYBMUJFWSA-N 1 0 273.380 3.400 20 70 CGIDRO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCn1ccnc1 ZINC000159836418 372184764 /nfs/dbraw/zinc/18/47/64/372184764.db2.gz QZRULECNEIFAHU-CYBMUJFWSA-N 1 0 277.799 3.100 20 70 CGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000159922379 372194881 /nfs/dbraw/zinc/19/48/81/372194881.db2.gz LVMZSHGXGWFGDT-INIZCTEOSA-N 1 0 292.423 3.186 20 70 CGIDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000159986524 372201958 /nfs/dbraw/zinc/20/19/58/372201958.db2.gz LVAFHEKHTLUPFL-TUAOUCFPSA-N 1 0 282.815 3.294 20 70 CGIDRO Cc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1F ZINC000161034656 372297187 /nfs/dbraw/zinc/29/71/87/372297187.db2.gz MMTYBBUEGVBBBA-UHFFFAOYSA-N 1 0 292.398 3.173 20 70 CGIDRO Cc1cccc(C)c1C[NH2+][C@H](C)c1nnc2ccccn21 ZINC000160415963 372246117 /nfs/dbraw/zinc/24/61/17/372246117.db2.gz RFDOVUAGMIMATK-CQSZACIVSA-N 1 0 280.375 3.197 20 70 CGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(COC)cc1 ZINC000160443725 372247374 /nfs/dbraw/zinc/24/73/74/372247374.db2.gz QPDHFSRTAAHTHL-UHFFFAOYSA-N 1 0 299.414 3.482 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)CCO1 ZINC000160461183 372250636 /nfs/dbraw/zinc/25/06/36/372250636.db2.gz BKPLAQTXFKUVED-BWPKMQGJSA-N 1 0 263.356 3.386 20 70 CGIDRO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccccc2C)o1 ZINC000160528453 372256091 /nfs/dbraw/zinc/25/60/91/372256091.db2.gz DLUJWKSOCBSGQX-UHFFFAOYSA-N 1 0 287.359 3.397 20 70 CGIDRO FC(F)(F)COCCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000160557282 372257508 /nfs/dbraw/zinc/25/75/08/372257508.db2.gz VTSBNIBCBQANEQ-RYUDHWBXSA-N 1 0 265.319 3.220 20 70 CGIDRO CCCC1(C[NH2+]Cc2ccccc2NC(C)=O)CC1 ZINC000160563435 372258104 /nfs/dbraw/zinc/25/81/04/372258104.db2.gz DBUJTEYXYOVJIX-UHFFFAOYSA-N 1 0 260.381 3.315 20 70 CGIDRO CCOc1ccc([C@H](CC)[NH2+]CC(C)(C)O)cc1OCC ZINC000160645481 372264332 /nfs/dbraw/zinc/26/43/32/372264332.db2.gz KWQNHUAGEOTELJ-AWEZNQCLSA-N 1 0 295.423 3.296 20 70 CGIDRO Cc1cccc([C@@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]2)c1C ZINC000160723306 372270855 /nfs/dbraw/zinc/27/08/55/372270855.db2.gz RGETZEVAEQYHSL-WBVHZDCISA-N 1 0 286.419 3.109 20 70 CGIDRO CC(C)[C@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1Cl ZINC000160830748 372279774 /nfs/dbraw/zinc/27/97/74/372279774.db2.gz YSVKFKOYRANXON-WFASDCNBSA-N 1 0 294.826 3.153 20 70 CGIDRO Cc1cccc([C@H](C)NC(=O)C2([NH3+])CCCCC2)c1C ZINC000160835961 372281506 /nfs/dbraw/zinc/28/15/06/372281506.db2.gz CLGRFSIKAONUIA-AWEZNQCLSA-N 1 0 274.408 3.142 20 70 CGIDRO CCc1cc(=O)[nH]c(C[NH2+]C(C)(C)CC(C)(C)C)n1 ZINC000160900121 372287249 /nfs/dbraw/zinc/28/72/49/372287249.db2.gz UFSKPJIVNFRBRP-UHFFFAOYSA-N 1 0 265.401 3.049 20 70 CGIDRO Cc1ccc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000161127155 372304417 /nfs/dbraw/zinc/30/44/17/372304417.db2.gz BMKJRCPKYKPEMF-RDBSUJKOSA-N 1 0 250.386 3.111 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc2ccccc2c1 ZINC000161175201 372307279 /nfs/dbraw/zinc/30/72/79/372307279.db2.gz IRFXRQVWSPISDA-UHFFFAOYSA-N 1 0 284.403 3.221 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)C1CCOCC1 ZINC000161315732 372316123 /nfs/dbraw/zinc/31/61/23/372316123.db2.gz PHKNNEDZLWMLMS-JKSUJKDBSA-N 1 0 291.435 3.244 20 70 CGIDRO CCOC[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000161378164 372320053 /nfs/dbraw/zinc/32/00/53/372320053.db2.gz AAJPCVMATXGNCY-WBVHZDCISA-N 1 0 279.424 3.069 20 70 CGIDRO CSc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1F ZINC000161455951 372325738 /nfs/dbraw/zinc/32/57/38/372325738.db2.gz BQYFXAGRPURUCV-NSHDSACASA-N 1 0 282.428 3.292 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)c1ccccc1)CC2 ZINC000161459251 372325880 /nfs/dbraw/zinc/32/58/80/372325880.db2.gz BWFWNQPCWZJYAN-APWZRJJASA-N 1 0 297.398 3.048 20 70 CGIDRO CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218071584 376183277 /nfs/dbraw/zinc/18/32/77/376183277.db2.gz HWKGKIDXXLGJQM-XJKSGUPXSA-N 1 0 264.388 3.208 20 70 CGIDRO c1c(C[NH2+]CCCC2CCCC2)nc2ccccn12 ZINC000218212881 376185361 /nfs/dbraw/zinc/18/53/61/376185361.db2.gz PEYLHAXEARDBOQ-UHFFFAOYSA-N 1 0 257.381 3.394 20 70 CGIDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000218237588 376186523 /nfs/dbraw/zinc/18/65/23/376186523.db2.gz VOCDKRXHKMFZDT-KBPBESRZSA-N 1 0 257.381 3.250 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)Cc1ccc(C)s1 ZINC000160153850 542152504 /nfs/dbraw/zinc/15/25/04/542152504.db2.gz SDYBEPWSSPQYLA-LBPRGKRZSA-N 1 0 277.437 3.384 20 70 CGIDRO CCCn1nccc1C[NH2+][C@H](C)CCc1ccccc1 ZINC000159984190 542151575 /nfs/dbraw/zinc/15/15/75/542151575.db2.gz GYJWCUGUKHGLGE-OAHLLOKOSA-N 1 0 271.408 3.404 20 70 CGIDRO C[C@H]([NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)c1ccco1 ZINC000160204092 542153966 /nfs/dbraw/zinc/15/39/66/542153966.db2.gz QBXAIQXRPLQNGP-SYTFOFBDSA-N 1 0 277.389 3.429 20 70 CGIDRO Cc1cc2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)oc2cc1C ZINC000161447490 542158462 /nfs/dbraw/zinc/15/84/62/542158462.db2.gz ZXNLHVKIXXBZPE-UONOGXRCSA-N 1 0 286.375 3.049 20 70 CGIDRO c1ccc2nc(NCCCOCC3CC3)ccc2c1 ZINC000218648753 392998330 /nfs/dbraw/zinc/99/83/30/392998330.db2.gz LRIRBJIAFXUUME-UHFFFAOYSA-N 1 0 256.349 3.463 20 70 CGIDRO COC(C[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1)OC ZINC000161234600 292079072 /nfs/dbraw/zinc/07/90/72/292079072.db2.gz YGPWPIVKVVBLCB-OAHLLOKOSA-N 1 0 263.381 3.141 20 70 CGIDRO COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)C2CCOCC2)c1 ZINC000160012005 286344261 /nfs/dbraw/zinc/34/42/61/286344261.db2.gz OQMSDBNEAOQKSZ-OLZOCXBDSA-N 1 0 293.407 3.170 20 70 CGIDRO CC(C)(C)CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000159729995 165469098 /nfs/dbraw/zinc/46/90/98/165469098.db2.gz DYECHOSIQSFFJR-UHFFFAOYSA-N 1 0 268.445 3.241 20 70 CGIDRO CC[C@H](C)N(C)CC[NH2+]Cc1cc(C)c(C)cc1C ZINC000217373819 270085252 /nfs/dbraw/zinc/08/52/52/270085252.db2.gz JAAZZRDRYJLEAO-INIZCTEOSA-N 1 0 262.441 3.432 20 70 CGIDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000218689061 270085449 /nfs/dbraw/zinc/08/54/49/270085449.db2.gz DKNODIFYNXGCHE-KRWDZBQOSA-N 1 0 289.806 3.375 20 70 CGIDRO CC(C)(O)C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000160623953 273507858 /nfs/dbraw/zinc/50/78/58/273507858.db2.gz JPGVPHBLNPHSGQ-AWEZNQCLSA-N 1 0 267.800 3.468 20 70 CGIDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000160360426 277778037 /nfs/dbraw/zinc/77/80/37/277778037.db2.gz TVOPIPWXJYMMAR-IHRRRGAJSA-N 1 0 268.445 3.094 20 70 CGIDRO COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCOC(C)(C)C1)CC2 ZINC000159926480 277992557 /nfs/dbraw/zinc/99/25/57/277992557.db2.gz XFNHYXJLUSFEMZ-XJKSGUPXSA-N 1 0 275.392 3.230 20 70 CGIDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc(C(C)(C)C)ns2)C1 ZINC000159842100 289380440 /nfs/dbraw/zinc/38/04/40/289380440.db2.gz LHCVIWDVQPDUCX-QWRGUYRKSA-N 1 0 282.457 3.120 20 70 CGIDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000159973298 321844338 /nfs/dbraw/zinc/84/43/38/321844338.db2.gz ZHIHUYJYMNVLOC-KRWDZBQOSA-N 1 0 288.435 3.206 20 70 CGIDRO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1ccc(F)cc1 ZINC000159982198 321844577 /nfs/dbraw/zinc/84/45/77/321844577.db2.gz SNGWEZVIXUDTMB-OAHLLOKOSA-N 1 0 280.387 3.029 20 70 CGIDRO CC[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)C(C)C ZINC000160479059 321852379 /nfs/dbraw/zinc/85/23/79/321852379.db2.gz HHPBMCNIIOCXNG-GOSISDBHSA-N 1 0 290.451 3.043 20 70 CGIDRO COCC[C@@H](C)[NH2+]Cc1ccnc(O[C@H](C)CC(C)C)c1 ZINC000160832551 321858788 /nfs/dbraw/zinc/85/87/88/321858788.db2.gz KJKLANFKLJJFED-HUUCEWRRSA-N 1 0 294.439 3.410 20 70 CGIDRO C(CN1CCS[C@@H]2CCCC[C@@H]21)C[NH+]1CCCCC1 ZINC000161493998 518385986 /nfs/dbraw/zinc/38/59/86/518385986.db2.gz MODAYSVFLKEXHH-JKSUJKDBSA-N 1 0 282.497 3.222 20 70 CGIDRO CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)CCC2 ZINC000160551668 522474678 /nfs/dbraw/zinc/47/46/78/522474678.db2.gz FJQFYMXFLKGGTG-DYEKYZERSA-N 1 0 294.464 3.224 20 70 CGIDRO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1cccc(F)c1 ZINC000160468689 523160734 /nfs/dbraw/zinc/16/07/34/523160734.db2.gz VGMIHQAOJRBSDX-UHFFFAOYSA-N 1 0 296.349 3.243 20 70 CGIDRO C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)(C)C ZINC000160621527 525521444 /nfs/dbraw/zinc/52/14/44/525521444.db2.gz UBYRFPPLHXPYBO-OAHLLOKOSA-N 1 0 290.451 3.043 20 70 CGIDRO Cc1ccc([C@H](C)[NH2+]CC[S@](=O)c2ccccc2)cc1 ZINC000160789736 525919830 /nfs/dbraw/zinc/91/98/30/525919830.db2.gz GMLBGOZYYAODNF-MGPUTAFESA-N 1 0 287.428 3.453 20 70 CGIDRO C(C[NH+]1CCC(OC2CCCCC2)CC1)OCC1CC1 ZINC000159888798 527478062 /nfs/dbraw/zinc/47/80/62/527478062.db2.gz LDBSFWZETOUIRT-UHFFFAOYSA-N 1 0 281.440 3.227 20 70 CGIDRO CCSCc1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000160421857 529200168 /nfs/dbraw/zinc/20/01/68/529200168.db2.gz IMHJLALADKDRSP-CQSZACIVSA-N 1 0 278.421 3.020 20 70 CGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000160081486 529343585 /nfs/dbraw/zinc/34/35/85/529343585.db2.gz JQTRLPFRENKPSM-CXAGYDPISA-N 1 0 276.424 3.002 20 70 CGIDRO Cc1cccc([C@H](C)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000159755037 346168533 /nfs/dbraw/zinc/16/85/33/346168533.db2.gz ZTKPQZHOAUBXHY-CVEARBPZSA-N 1 0 288.435 3.089 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000161422716 346174961 /nfs/dbraw/zinc/17/49/61/346174961.db2.gz FKYCYLXXFQTKTI-BBWFWOEESA-N 1 0 261.409 3.148 20 70 CGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1 ZINC000159408187 372141221 /nfs/dbraw/zinc/14/12/21/372141221.db2.gz PWVKXXAVUWFKHC-YUTCNCBUSA-N 1 0 267.442 3.135 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)s1 ZINC000159677277 372168369 /nfs/dbraw/zinc/16/83/69/372168369.db2.gz XOJAPNHAIRQDIL-UHFFFAOYSA-N 1 0 271.389 3.336 20 70 CGIDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000159687304 372168651 /nfs/dbraw/zinc/16/86/51/372168651.db2.gz UYCSPBKSJZDODX-ZDUSSCGKSA-N 1 0 271.360 3.005 20 70 CGIDRO CC(C)CC[C@H]([NH2+]CCO)c1ccc(Cl)cc1 ZINC000159698513 372170095 /nfs/dbraw/zinc/17/00/95/372170095.db2.gz BTOKDCCWPKOUMR-AWEZNQCLSA-N 1 0 255.789 3.399 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000160094836 372212908 /nfs/dbraw/zinc/21/29/08/372212908.db2.gz RIJRMVUQWGXSCQ-MNOVXSKESA-N 1 0 288.357 3.485 20 70 CGIDRO CCNC(=O)c1cccc(C[NH2+]C2[C@H](C)CCC[C@H]2C)c1 ZINC000160187462 372222225 /nfs/dbraw/zinc/22/22/25/372222225.db2.gz VMESGOGNBOTQNQ-ZIAGYGMSSA-N 1 0 288.435 3.351 20 70 CGIDRO CCOCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000160194836 372224329 /nfs/dbraw/zinc/22/43/29/372224329.db2.gz HARXFPDITLQHRS-UHFFFAOYSA-N 1 0 265.397 3.170 20 70 CGIDRO CC[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160316877 372237282 /nfs/dbraw/zinc/23/72/82/372237282.db2.gz GABHVGVUSGSCKU-JSGCOSHPSA-N 1 0 291.370 3.067 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000159858370 372186710 /nfs/dbraw/zinc/18/67/10/372186710.db2.gz DKZYCOOHRDLWNM-UHFFFAOYSA-N 1 0 298.386 3.286 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)N2CCc3ccccc32)cn1 ZINC000159924694 372194123 /nfs/dbraw/zinc/19/41/23/372194123.db2.gz PYRBMQQHZQPAJL-LSDHHAIUSA-N 1 0 298.434 3.005 20 70 CGIDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCOC(C)(C)C2)cc1 ZINC000159951506 372198258 /nfs/dbraw/zinc/19/82/58/372198258.db2.gz ZLNOQLNXFQLCRW-ZFWWWQNUSA-N 1 0 277.408 3.173 20 70 CGIDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)COC)cc1OC ZINC000159975341 372199856 /nfs/dbraw/zinc/19/98/56/372199856.db2.gz HZEZJPUVOLJNFB-TZMCWYRMSA-N 1 0 281.396 3.170 20 70 CGIDRO CCc1ccc([C@H](CC)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160426743 372246158 /nfs/dbraw/zinc/24/61/58/372246158.db2.gz NEKDMNKCAZWQDU-IRXDYDNUSA-N 1 0 298.434 3.205 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000161088718 372300651 /nfs/dbraw/zinc/30/06/51/372300651.db2.gz UDJCHVAVHMXIDB-GDBMZVCRSA-N 1 0 280.456 3.051 20 70 CGIDRO CC(C)([NH3+])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161089591 372300833 /nfs/dbraw/zinc/30/08/33/372300833.db2.gz QLJVQAMWJQALTH-UHFFFAOYSA-N 1 0 298.386 3.079 20 70 CGIDRO C[C@H]1C[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)CC[N@@H+]1C ZINC000160658636 372266992 /nfs/dbraw/zinc/26/69/92/372266992.db2.gz MUSNNEZPNJRIOZ-ZFWWWQNUSA-N 1 0 280.456 3.144 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1OC ZINC000160826598 372279493 /nfs/dbraw/zinc/27/94/93/372279493.db2.gz NCBZDALXQVWCFP-UHFFFAOYSA-N 1 0 275.348 3.237 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cncn3)c(C)c2)o1 ZINC000160844591 372281527 /nfs/dbraw/zinc/28/15/27/372281527.db2.gz DFVOIKZRIMTUJL-UHFFFAOYSA-N 1 0 296.374 3.109 20 70 CGIDRO COc1ccc(C[N@H+](C)Cc2cccn2C)cc1Cl ZINC000161246048 372313215 /nfs/dbraw/zinc/31/32/15/372313215.db2.gz SHGGPNVGJRDWFP-UHFFFAOYSA-N 1 0 278.783 3.319 20 70 CGIDRO C[C@H]1C[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC[C@@H]1C ZINC000161331064 372318262 /nfs/dbraw/zinc/31/82/62/372318262.db2.gz KHANVLGMHHHDBR-GJZGRUSLSA-N 1 0 294.483 3.249 20 70 CGIDRO CC(C)Sc1ccccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000161398507 372321354 /nfs/dbraw/zinc/32/13/54/372321354.db2.gz JQNOAYUXDFYZHW-GFCCVEGCSA-N 1 0 278.421 3.125 20 70 CGIDRO COc1ccccc1[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161471826 372327897 /nfs/dbraw/zinc/32/78/97/372327897.db2.gz ZVSFDMHWMXRMNP-GDBMZVCRSA-N 1 0 285.387 3.122 20 70 CGIDRO CC[C@H](C)[C@@H](C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000217534870 376174954 /nfs/dbraw/zinc/17/49/54/376174954.db2.gz YDPPUILLVGVSHU-YQQAZPJKSA-N 1 0 288.435 3.014 20 70 CGIDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cn3ccccc3n2)C1 ZINC000218237511 376186808 /nfs/dbraw/zinc/18/68/08/376186808.db2.gz VOCDKRXHKMFZDT-KGLIPLIRSA-N 1 0 257.381 3.250 20 70 CGIDRO C[C@](CO)([NH2+]Cc1cc(F)cc(Cl)c1)c1ccccc1 ZINC000159794093 542150905 /nfs/dbraw/zinc/15/09/05/542150905.db2.gz OFMMUYKWOAOHKY-MRXNPFEDSA-N 1 0 293.769 3.476 20 70 CGIDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000159670871 542150250 /nfs/dbraw/zinc/15/02/50/542150250.db2.gz IQPZTCBDZDSULH-AWEZNQCLSA-N 1 0 267.376 3.277 20 70 CGIDRO CCCn1nccc1C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000160094901 542152960 /nfs/dbraw/zinc/15/29/60/542152960.db2.gz LLCHPDQNZCLMBH-ZDUSSCGKSA-N 1 0 273.380 3.153 20 70 CGIDRO CCn1c2ccccc2nc1C[NH2+][C@H](C)C1CCC1 ZINC000160173777 542152378 /nfs/dbraw/zinc/15/23/78/542152378.db2.gz MBSLSMISZPAQKP-GFCCVEGCSA-N 1 0 257.381 3.334 20 70 CGIDRO C[NH+](C)C1(CNc2nc3ccc(N)cc3s2)CCCC1 ZINC000160712586 542155379 /nfs/dbraw/zinc/15/53/79/542155379.db2.gz MVFRCHCGQDJUEO-UHFFFAOYSA-N 1 0 290.436 3.165 20 70 CGIDRO CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)s1 ZINC000160462695 165478937 /nfs/dbraw/zinc/47/89/37/165478937.db2.gz XWGLBMQWZJFZOP-UHTWSYAYSA-N 1 0 282.453 3.216 20 70 CGIDRO CC(C)(C)OC(=O)NCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000218083602 270085632 /nfs/dbraw/zinc/08/56/32/270085632.db2.gz UAEPORKRZBBUAT-ZDUSSCGKSA-N 1 0 296.436 3.314 20 70 CGIDRO CCC[C@@H](CCc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000160938835 276270322 /nfs/dbraw/zinc/27/03/22/276270322.db2.gz IDAMUDZHLPROPH-DLBZAZTESA-N 1 0 288.435 3.046 20 70 CGIDRO C[C@H](c1ccc2ccccc2c1)N1CCC[C@@H]([NH3+])C1 ZINC000217500199 278309590 /nfs/dbraw/zinc/30/95/90/278309590.db2.gz BABCLJOAWKHQDX-CXAGYDPISA-N 1 0 254.377 3.324 20 70 CGIDRO C[C@H]([NH2+][C@@H]1CCCc2cc(F)ccc21)C(=O)NC(C)(C)C ZINC000159539542 279509497 /nfs/dbraw/zinc/50/94/97/279509497.db2.gz RGAKDKWHGVPGOX-XHDPSFHLSA-N 1 0 292.398 3.096 20 70 CGIDRO CC(C)[C@H]([NH2+]CCC(C)(C)C)c1nnc2ccccn21 ZINC000159607806 321837211 /nfs/dbraw/zinc/83/72/11/321837211.db2.gz SVSZNWHUFGRJLE-AWEZNQCLSA-N 1 0 274.412 3.452 20 70 CGIDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1C ZINC000159658920 321838421 /nfs/dbraw/zinc/83/84/21/321838421.db2.gz KFJBNYODJVJEHF-BBWFWOEESA-N 1 0 271.404 3.351 20 70 CGIDRO CC[C@@H](C)[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160013295 321845179 /nfs/dbraw/zinc/84/51/79/321845179.db2.gz RDJUMYAXCAYAKB-LLVKDONJSA-N 1 0 266.351 3.039 20 70 CGIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000160064720 321845706 /nfs/dbraw/zinc/84/57/06/321845706.db2.gz ZDDONPQMNOJSEI-QGZVFWFLSA-N 1 0 297.402 3.054 20 70 CGIDRO CC[C@@H](COC)[NH2+]CCSc1ccc(Cl)cc1 ZINC000160085624 321846391 /nfs/dbraw/zinc/84/63/91/321846391.db2.gz LUUMOILHXOBKOO-LBPRGKRZSA-N 1 0 273.829 3.447 20 70 CGIDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161459672 321867983 /nfs/dbraw/zinc/86/79/83/321867983.db2.gz JQNUAWGWIUYOBQ-NVXWUHKLSA-N 1 0 261.409 3.487 20 70 CGIDRO C[N@H+](CC1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160390212 522626518 /nfs/dbraw/zinc/62/65/18/522626518.db2.gz QKLZOVVDJJYUQC-YIONKMFJSA-N 1 0 294.439 3.259 20 70 CGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@@](=O)c1ccccc1 ZINC000161424224 523198739 /nfs/dbraw/zinc/19/87/39/523198739.db2.gz QRJUJLRELVUDKV-ALKREAHSSA-N 1 0 279.449 3.353 20 70 CGIDRO CCn1cc([C@@H](C)[NH2+]CCc2cc(C)cc(C)c2)cn1 ZINC000159487639 523454432 /nfs/dbraw/zinc/45/44/32/523454432.db2.gz SMXAWNZWUPJOFE-OAHLLOKOSA-N 1 0 271.408 3.413 20 70 CGIDRO CC[C@@]1(C)CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000160865141 523709557 /nfs/dbraw/zinc/70/95/57/523709557.db2.gz AGSNQMDWIPYCMN-INIZCTEOSA-N 1 0 257.381 3.346 20 70 CGIDRO Cc1cccc(C)c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000160411562 524260073 /nfs/dbraw/zinc/26/00/73/524260073.db2.gz MEFLXBBDWDEDBZ-INIZCTEOSA-N 1 0 272.392 3.289 20 70 CGIDRO CC(C)(C)NC(=O)C[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000159876423 526313313 /nfs/dbraw/zinc/31/33/13/526313313.db2.gz AXZXAGGRECDMNQ-OAHLLOKOSA-N 1 0 294.464 3.484 20 70 CGIDRO CCOCCC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000159890215 528659515 /nfs/dbraw/zinc/65/95/15/528659515.db2.gz GRDHUQHFEYHNEH-UHFFFAOYSA-N 1 0 269.429 3.227 20 70 CGIDRO CCCCC[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000216776264 572383546 /nfs/dbraw/zinc/38/35/46/572383546.db2.gz PNHLJCZDXSGMMP-UHFFFAOYSA-N 1 0 294.414 3.142 20 70 CGIDRO Cc1ccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)cn1 ZINC000161317995 572884358 /nfs/dbraw/zinc/88/43/58/572884358.db2.gz BZVSFPHFIYNVTR-CYBMUJFWSA-N 1 0 258.369 3.018 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc(OC)ccc1OC ZINC000160066445 529689427 /nfs/dbraw/zinc/68/94/27/529689427.db2.gz SDCMAFMOIBQSFA-KBPBESRZSA-N 1 0 294.439 3.085 20 70 CGIDRO C[NH+](C)C1(CNCc2cc(F)cc(Cl)c2)CCCC1 ZINC000160976277 232247636 /nfs/dbraw/zinc/24/76/36/232247636.db2.gz XLKQNFPDPKIXBS-UHFFFAOYSA-N 1 0 284.806 3.443 20 70 CGIDRO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CCC2CCCC2)CC1 ZINC000159964228 346169366 /nfs/dbraw/zinc/16/93/66/346169366.db2.gz LZLMENDVRKWGOJ-OAHLLOKOSA-N 1 0 294.483 3.439 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C ZINC000217767331 346291984 /nfs/dbraw/zinc/29/19/84/346291984.db2.gz LTNWJFLBBZHRBI-XQHKEYJVSA-N 1 0 255.402 3.131 20 70 CGIDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccccc1C ZINC000159466158 188427609 /nfs/dbraw/zinc/42/76/09/188427609.db2.gz CQWHPAKYEUHMNT-LBPRGKRZSA-N 1 0 258.365 3.493 20 70 CGIDRO CC(C)([NH3+])CNC(=O)C1(c2ccc(Cl)cc2)CCCC1 ZINC000159992871 188450517 /nfs/dbraw/zinc/45/05/17/188450517.db2.gz MATDMCUZOCYVTI-UHFFFAOYSA-N 1 0 294.826 3.005 20 70 CGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nc(C)cs1 ZINC000160543833 188478933 /nfs/dbraw/zinc/47/89/33/188478933.db2.gz IXGPLCRMHOFGIL-UHFFFAOYSA-N 1 0 298.456 3.037 20 70 CGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000161067170 188505857 /nfs/dbraw/zinc/50/58/57/188505857.db2.gz NFFNWOZCWADXCV-ZIAGYGMSSA-N 1 0 276.424 3.349 20 70 CGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000161446710 188528041 /nfs/dbraw/zinc/52/80/41/188528041.db2.gz OODIOTLDUUPYQL-PBHICJAKSA-N 1 0 255.361 3.113 20 70 CGIDRO CCC[C@H]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000161447818 188528610 /nfs/dbraw/zinc/52/86/10/188528610.db2.gz REJBWALWJCFWFB-GJZGRUSLSA-N 1 0 280.456 3.051 20 70 CGIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCCSC1 ZINC000159542559 372153385 /nfs/dbraw/zinc/15/33/85/372153385.db2.gz MWWLRGRWPAGHQV-JKSUJKDBSA-N 1 0 297.439 3.259 20 70 CGIDRO Clc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000159654616 372165087 /nfs/dbraw/zinc/16/50/87/372165087.db2.gz GZMWKZTUVKDPQC-KFWWJZLASA-N 1 0 277.795 3.387 20 70 CGIDRO CC[NH+](CC)C[C@H]1CCN(c2nc(C(C)(C)C)ns2)C1 ZINC000159745877 372176086 /nfs/dbraw/zinc/17/60/86/372176086.db2.gz GQXGPQMQWARZMJ-GFCCVEGCSA-N 1 0 296.484 3.004 20 70 CGIDRO CN(CCCn1ccnc1)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000160066846 372208204 /nfs/dbraw/zinc/20/82/04/372208204.db2.gz JGTQPLDFPACBOK-OAHLLOKOSA-N 1 0 291.439 3.338 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000160058094 372208284 /nfs/dbraw/zinc/20/82/84/372208284.db2.gz FCKZGJBVFZNBEW-KBPBESRZSA-N 1 0 291.439 3.026 20 70 CGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cn1 ZINC000160087766 372209922 /nfs/dbraw/zinc/20/99/22/372209922.db2.gz CJJLGYHVRAXNGS-LBPRGKRZSA-N 1 0 289.354 3.254 20 70 CGIDRO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160101149 372212894 /nfs/dbraw/zinc/21/28/94/372212894.db2.gz OKRMOKXCFNFMPZ-RDJZCZTQSA-N 1 0 288.435 3.447 20 70 CGIDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000160136538 372216278 /nfs/dbraw/zinc/21/62/78/372216278.db2.gz NDNQDPDLFYKMNH-CHWSQXEVSA-N 1 0 257.381 3.449 20 70 CGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(F)n1 ZINC000160221817 372225727 /nfs/dbraw/zinc/22/57/27/372225727.db2.gz FOWFDNXJRLWPLU-HIFRSBDPSA-N 1 0 285.366 3.153 20 70 CGIDRO CC[C@@H](C[NH2+][C@H](C)c1cnn(C)c1)Oc1ccccc1F ZINC000160317129 372237501 /nfs/dbraw/zinc/23/75/01/372237501.db2.gz GABHVGVUSGSCKU-OCCSQVGLSA-N 1 0 291.370 3.067 20 70 CGIDRO CC[NH+]1CCC(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000160336882 372238992 /nfs/dbraw/zinc/23/89/92/372238992.db2.gz WUKAHNKROUSABG-BZUAXINKSA-N 1 0 292.467 3.193 20 70 CGIDRO CC(C)C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000160328254 372239204 /nfs/dbraw/zinc/23/92/04/372239204.db2.gz LRRYULDKBROLSB-JKSUJKDBSA-N 1 0 280.456 3.288 20 70 CGIDRO CC(C)[N@H+](CCc1nccs1)CCC(F)(F)F ZINC000159828489 372185380 /nfs/dbraw/zinc/18/53/80/372185380.db2.gz HZMPQMJEZJOXDU-UHFFFAOYSA-N 1 0 266.332 3.348 20 70 CGIDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000159908735 372192601 /nfs/dbraw/zinc/19/26/01/372192601.db2.gz ZHHAYXSROZTNHE-KGLIPLIRSA-N 1 0 292.448 3.116 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccncc2)n1 ZINC000159943810 372195735 /nfs/dbraw/zinc/19/57/35/372195735.db2.gz RFIWZJUFGGWZTI-INIZCTEOSA-N 1 0 253.349 3.122 20 70 CGIDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(-n2ccnc2)cc1 ZINC000159933995 372195919 /nfs/dbraw/zinc/19/59/19/372195919.db2.gz JKPFUKNUCVAVFO-HOCLYGCPSA-N 1 0 299.418 3.481 20 70 CGIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c(F)c1 ZINC000159952757 372197892 /nfs/dbraw/zinc/19/78/92/372197892.db2.gz LBGFUWGIIPWTGO-NEPJUHHUSA-N 1 0 281.371 3.443 20 70 CGIDRO Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160959150 372290911 /nfs/dbraw/zinc/29/09/11/372290911.db2.gz COKNABYBYCVFKU-UHFFFAOYSA-N 1 0 281.762 3.119 20 70 CGIDRO CC[C@](C)(O)C[NH+]1CCC(c2ccccc2C)CC1 ZINC000160993605 372292010 /nfs/dbraw/zinc/29/20/10/372292010.db2.gz FFBVMQYXLCFZFB-KRWDZBQOSA-N 1 0 261.409 3.335 20 70 CGIDRO COc1ccc2c(c1)[C@@H]([NH2+][C@H](CCO)c1ccccc1)CC2 ZINC000160987229 372292255 /nfs/dbraw/zinc/29/22/55/372292255.db2.gz QMTQHDGIGLDLHI-MOPGFXCFSA-N 1 0 297.398 3.396 20 70 CGIDRO CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1cccc(Cl)c1Cl ZINC000160987911 372293233 /nfs/dbraw/zinc/29/32/33/372293233.db2.gz ADHGPSZDZTWJFU-LDYMZIIASA-N 1 0 289.206 3.298 20 70 CGIDRO Cc1nc2ccccn2c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000160983581 372293242 /nfs/dbraw/zinc/29/32/42/372293242.db2.gz ZRSNSTHBPLQPNC-GJZGRUSLSA-N 1 0 269.392 3.265 20 70 CGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1F ZINC000160999317 372295236 /nfs/dbraw/zinc/29/52/36/372295236.db2.gz KGSYORZOLLUYOG-RDBSUJKOSA-N 1 0 264.388 3.349 20 70 CGIDRO Cc1c(CNCc2nc(-c3ccccc3)cs2)cnn1C ZINC000160406701 372243861 /nfs/dbraw/zinc/24/38/61/372243861.db2.gz JQVISMZDVSCDIS-UHFFFAOYSA-N 1 0 298.415 3.142 20 70 CGIDRO Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000160537110 372255578 /nfs/dbraw/zinc/25/55/78/372255578.db2.gz AVHDUEOMYLXGBA-INIZCTEOSA-N 1 0 299.418 3.228 20 70 CGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ncc(C)s1 ZINC000160543989 372256733 /nfs/dbraw/zinc/25/67/33/372256733.db2.gz SPYFPWLDKQCYCF-UHFFFAOYSA-N 1 0 298.456 3.037 20 70 CGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC000160547309 372257591 /nfs/dbraw/zinc/25/75/91/372257591.db2.gz OOCTUUMPRNUSNQ-DZGCQCFKSA-N 1 0 294.464 3.088 20 70 CGIDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CC(C)(C)O ZINC000160609419 372263152 /nfs/dbraw/zinc/26/31/52/372263152.db2.gz KOCCQECKFOORTE-SNVBAGLBSA-N 1 0 271.788 3.160 20 70 CGIDRO CC[C@@H]([NH2+]CCOCC(C)C)c1ccc2c(c1)OCCO2 ZINC000160690196 372268241 /nfs/dbraw/zinc/26/82/41/372268241.db2.gz AHUDDAXOMAEHKX-OAHLLOKOSA-N 1 0 293.407 3.171 20 70 CGIDRO C[C@@H](NC(=O)c1ccc(C[NH3+])cc1)[C@H](C)c1ccccc1 ZINC000160891776 372285192 /nfs/dbraw/zinc/28/51/92/372285192.db2.gz DOSNZMNVYZZPQH-UONOGXRCSA-N 1 0 282.387 3.067 20 70 CGIDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000161131073 372304487 /nfs/dbraw/zinc/30/44/87/372304487.db2.gz VKCUTKFNFXFQDW-MRVPVSSYSA-N 1 0 279.277 3.094 20 70 CGIDRO CC[C@@H](COC)[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161166382 372306180 /nfs/dbraw/zinc/30/61/80/372306180.db2.gz SMUVJZYCJVCBFD-LBPRGKRZSA-N 1 0 291.313 3.142 20 70 CGIDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC000161168202 372307255 /nfs/dbraw/zinc/30/72/55/372307255.db2.gz ZIFDRQVQUZXBBZ-OAHLLOKOSA-N 1 0 294.483 3.297 20 70 CGIDRO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)cc1 ZINC000161308019 372316252 /nfs/dbraw/zinc/31/62/52/372316252.db2.gz DRIGCPZXFOUJCC-OAHLLOKOSA-N 1 0 261.344 3.109 20 70 CGIDRO C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1C ZINC000161330958 372317691 /nfs/dbraw/zinc/31/76/91/372317691.db2.gz KHANVLGMHHHDBR-CABCVRRESA-N 1 0 294.483 3.249 20 70 CGIDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1nnc(C)n1CCC ZINC000161429092 372324173 /nfs/dbraw/zinc/32/41/73/372324173.db2.gz QYGBAEWPPQIIHA-UKRRQHHQSA-N 1 0 278.444 3.397 20 70 CGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccccc1 ZINC000161446596 372326140 /nfs/dbraw/zinc/32/61/40/372326140.db2.gz OODIOTLDUUPYQL-YOEHRIQHSA-N 1 0 255.361 3.113 20 70 CGIDRO COc1ccc(N[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1Cl ZINC000217908581 376181373 /nfs/dbraw/zinc/18/13/73/376181373.db2.gz AGBJNBBLWXURNR-MISXGVKJSA-N 1 0 282.815 3.489 20 70 CGIDRO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1cscn1 ZINC000218241753 376187260 /nfs/dbraw/zinc/18/72/60/376187260.db2.gz IKTYSULXCXPYDS-NSHDSACASA-N 1 0 299.440 3.051 20 70 CGIDRO CCCn1nccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000159983527 542151971 /nfs/dbraw/zinc/15/19/71/542151971.db2.gz DTEXBDFRZFFVMZ-CQSZACIVSA-N 1 0 257.381 3.186 20 70 CGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCc2ccc3ccccc3c2)C1 ZINC000160856286 542156782 /nfs/dbraw/zinc/15/67/82/542156782.db2.gz FRGOCIIGAZHECP-MSOLQXFVSA-N 1 0 296.414 3.159 20 70 CGIDRO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000161015136 542157157 /nfs/dbraw/zinc/15/71/57/542157157.db2.gz JMNMPLQYVFNNJI-VHDGCEQUSA-N 1 0 274.408 3.311 20 70 CGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1 ZINC000161015646 542157522 /nfs/dbraw/zinc/15/75/22/542157522.db2.gz NSORJZIBHUDLPX-CVEARBPZSA-N 1 0 292.467 3.073 20 70 CGIDRO OC[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)c1ccccc1 ZINC000161504619 542158883 /nfs/dbraw/zinc/15/88/83/542158883.db2.gz PDWLBHKUADOCMQ-YJBOKZPZSA-N 1 0 285.362 3.179 20 70 CGIDRO CCC[C@H](CCc1ccccc1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000160938978 392583445 /nfs/dbraw/zinc/58/34/45/392583445.db2.gz IDAMUDZHLPROPH-IAGOWNOFSA-N 1 0 288.435 3.046 20 70 CGIDRO FC(F)(F)c1cccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217643934 392993845 /nfs/dbraw/zinc/99/38/45/392993845.db2.gz IZDOPOAWVGNWJP-CABCVRRESA-N 1 0 298.352 3.422 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNc1ncnc2sc(C)c(C)c21 ZINC000217366392 392994975 /nfs/dbraw/zinc/99/49/75/392994975.db2.gz SSZPMYHCQMIXRK-JTQLQIEISA-N 1 0 292.452 3.450 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc(OC(C)C)c1 ZINC000217394941 392995027 /nfs/dbraw/zinc/99/50/27/392995027.db2.gz NDOGJNGJDSQRHF-OAHLLOKOSA-N 1 0 278.440 3.294 20 70 CGIDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000218152441 287067825 /nfs/dbraw/zinc/06/78/25/287067825.db2.gz MPMRNQLZVMJLRK-MCIONIFRSA-N 1 0 276.428 3.234 20 70 CGIDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000217594729 270085357 /nfs/dbraw/zinc/08/53/57/270085357.db2.gz USMRJFIOFDSOJG-WCMAUXFHSA-N 1 0 280.456 3.081 20 70 CGIDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000218183842 277284977 /nfs/dbraw/zinc/28/49/77/277284977.db2.gz AVCJGYKELSGNES-NWANDNLSSA-N 1 0 291.391 3.066 20 70 CGIDRO CC(C)CO[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC(C)(C)C2)C1(C)C ZINC000159959913 277426992 /nfs/dbraw/zinc/42/69/92/277426992.db2.gz MPFGEECIFPUPMK-RBSFLKMASA-N 1 0 283.456 3.373 20 70 CGIDRO C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CCCSC1 ZINC000159533653 278222019 /nfs/dbraw/zinc/22/20/19/278222019.db2.gz GMLRIVQQKPLOHX-SMDDNHRTSA-N 1 0 296.411 3.028 20 70 CGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C(C)C)cc1)CC2 ZINC000160301914 279143696 /nfs/dbraw/zinc/14/36/96/279143696.db2.gz MGQWKLCXWUSOBZ-SUMWQHHRSA-N 1 0 298.434 3.376 20 70 CGIDRO COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccccn2)C1 ZINC000159362486 295372382 /nfs/dbraw/zinc/37/23/82/295372382.db2.gz HQQRKJRDNSEWID-GJZGRUSLSA-N 1 0 297.402 3.020 20 70 CGIDRO Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCN(C)CC1)CCCO2 ZINC000161507696 301209330 /nfs/dbraw/zinc/20/93/30/301209330.db2.gz GMOJZGXBYXOOJS-KRWDZBQOSA-N 1 0 288.435 3.201 20 70 CGIDRO Clc1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159656814 321838684 /nfs/dbraw/zinc/83/86/84/321838684.db2.gz WWHCFFNCVUZBQT-ZNMIVQPWSA-N 1 0 277.795 3.387 20 70 CGIDRO C/C(=C/c1ccc(Cl)cc1)C[NH2+]Cc1cnn(C)c1 ZINC000160114889 321846750 /nfs/dbraw/zinc/84/67/50/321846750.db2.gz OORPHTAZBLZQLM-GHXNOFRVSA-N 1 0 275.783 3.267 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@@H](CCc1ccccc1)C(C)C ZINC000160351009 321850265 /nfs/dbraw/zinc/85/02/65/321850265.db2.gz AORYMRAEGVOEQO-SJORKVTESA-N 1 0 295.492 3.347 20 70 CGIDRO CC(C)c1ccc(OCC[NH2+][C@@H](C)c2cnn(C)c2)cc1 ZINC000160333658 321850370 /nfs/dbraw/zinc/85/03/70/321850370.db2.gz BPBCIGVYODKEDP-AWEZNQCLSA-N 1 0 287.407 3.273 20 70 CGIDRO C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000160659242 321855687 /nfs/dbraw/zinc/85/56/87/321855687.db2.gz LEVGUHRZOSMECS-NYUZSIGZSA-N 1 0 277.383 3.200 20 70 CGIDRO CC(C)[NH+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000161384436 321866826 /nfs/dbraw/zinc/86/68/26/321866826.db2.gz IGQQJDFBRUCNTQ-UHFFFAOYSA-N 1 0 282.472 3.390 20 70 CGIDRO CCOC[C@H](C)[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000160496091 520138586 /nfs/dbraw/zinc/13/85/86/520138586.db2.gz PAAJLFDTDRYNSS-NSHDSACASA-N 1 0 291.313 3.099 20 70 CGIDRO CCC(CC)[C@H]1C[C@H]([NH2+][C@@H](C)CCn2cccn2)CCO1 ZINC000159496493 521626040 /nfs/dbraw/zinc/62/60/40/521626040.db2.gz OGOPAYLUYGQQPN-USXIJHARSA-N 1 0 293.455 3.235 20 70 CGIDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccc(F)cc1F ZINC000160928159 522753403 /nfs/dbraw/zinc/75/34/03/522753403.db2.gz OTYCPFVNTOXFEB-GJZGRUSLSA-N 1 0 296.361 3.015 20 70 CGIDRO C[C@@H]([NH2+]CC(C)(C)O)c1cccc(-c2ccncc2)c1 ZINC000160659703 525417882 /nfs/dbraw/zinc/41/78/82/525417882.db2.gz MGBYASFHUQIWEJ-CYBMUJFWSA-N 1 0 270.376 3.170 20 70 CGIDRO COc1ccc([C@H]2CC[N@H+](Cc3nccn3C(C)C)C2)cc1 ZINC000160896596 525420436 /nfs/dbraw/zinc/42/04/36/525420436.db2.gz NDWPMAZYECRMGJ-INIZCTEOSA-N 1 0 299.418 3.462 20 70 CGIDRO Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCc3ccccc32)c(C)n1 ZINC000160970639 527306688 /nfs/dbraw/zinc/30/66/88/527306688.db2.gz LJTANHGQIMEIGJ-WBMJQRKESA-N 1 0 281.403 3.474 20 70 CGIDRO Cc1nccn1CCCC[N@@H+](C)CCc1ccccc1 ZINC000161422376 527392056 /nfs/dbraw/zinc/39/20/56/527392056.db2.gz LWMYJIUCSDIIIZ-UHFFFAOYSA-N 1 0 271.408 3.146 20 70 CGIDRO CC(C)C1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000161269305 527649655 /nfs/dbraw/zinc/64/96/55/527649655.db2.gz QRWVKLUXSQTXCL-CVEARBPZSA-N 1 0 280.456 3.179 20 70 CGIDRO CCSCC[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000159912819 529179253 /nfs/dbraw/zinc/17/92/53/529179253.db2.gz FYNFJYVAFWJDFO-UHFFFAOYSA-N 1 0 265.422 3.357 20 70 CGIDRO CCOC(=O)CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000160958005 346173682 /nfs/dbraw/zinc/17/36/82/346173682.db2.gz WKWLMSJMJIVEEM-LBPRGKRZSA-N 1 0 267.344 3.162 20 70 CGIDRO CCC1(CC)[C@H]([NH2+][C@@H](C)c2ccncc2)C[C@@H]1OC ZINC000160102077 282454814 /nfs/dbraw/zinc/45/48/14/282454814.db2.gz CKXOETHGQDDVAP-CFVMTHIKSA-N 1 0 262.397 3.326 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)OC(C)(C)C ZINC000217767156 346291606 /nfs/dbraw/zinc/29/16/06/346291606.db2.gz LTNWJFLBBZHRBI-YVECIDJPSA-N 1 0 255.402 3.131 20 70 CGIDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC000217937401 346292043 /nfs/dbraw/zinc/29/20/43/346292043.db2.gz VVELMJUFCUENGZ-WMLDXEAASA-N 1 0 286.419 3.271 20 70 CGIDRO CCCCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000160817651 188492822 /nfs/dbraw/zinc/49/28/22/188492822.db2.gz RRMQXGJXUXDUFP-GOEBONIOSA-N 1 0 277.408 3.380 20 70 CGIDRO Cc1n[nH]cc1CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000160924174 188498513 /nfs/dbraw/zinc/49/85/13/188498513.db2.gz UIAICEWDKVQTEZ-UHFFFAOYSA-N 1 0 281.762 3.233 20 70 CGIDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccccc1OC ZINC000161323883 188521377 /nfs/dbraw/zinc/52/13/77/188521377.db2.gz BGHCQRRILDECDJ-CYBMUJFWSA-N 1 0 265.397 3.145 20 70 CGIDRO CC[C@@H](C(=O)NCC(C)(C)c1ccc(Cl)cc1)[NH+](C)C ZINC000159387184 372137501 /nfs/dbraw/zinc/13/75/01/372137501.db2.gz WYNOCZGMPCJLTI-AWEZNQCLSA-N 1 0 296.842 3.074 20 70 CGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](COC)C2CC2)C1 ZINC000159458536 372146422 /nfs/dbraw/zinc/14/64/22/372146422.db2.gz ZGGNZTPAMCPIEG-MCIONIFRSA-N 1 0 257.443 3.065 20 70 CGIDRO CCCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccs2)CC1 ZINC000159628669 372162648 /nfs/dbraw/zinc/16/26/48/372162648.db2.gz OANLQGVWADASNZ-ZDUSSCGKSA-N 1 0 294.464 3.232 20 70 CGIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H]1CCCSC1)CCC2 ZINC000159619980 372163328 /nfs/dbraw/zinc/16/33/28/372163328.db2.gz PYIPMHCGDRCGQQ-JQWIXIFHSA-N 1 0 268.451 3.314 20 70 CGIDRO Cc1ccc([C@@H](Cc2ccccc2)[NH2+]CCO)cc1C ZINC000159717054 372171983 /nfs/dbraw/zinc/17/19/83/372171983.db2.gz MYCBQUXOOIRBAL-GOSISDBHSA-N 1 0 269.388 3.169 20 70 CGIDRO C[C@H](CCC(C)(C)C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000159773055 372177438 /nfs/dbraw/zinc/17/74/38/372177438.db2.gz IHVMRMSWJUHKTF-ZIAGYGMSSA-N 1 0 282.472 3.343 20 70 CGIDRO COc1cccc([C@@H](C)[N@H+](C)CCOCC2CC2)c1 ZINC000159763097 372178521 /nfs/dbraw/zinc/17/85/21/372178521.db2.gz BXINYBGHCJWFLO-CYBMUJFWSA-N 1 0 263.381 3.115 20 70 CGIDRO CCOc1cc(C[NH2+][C@H](C)CCSCC)ccc1O ZINC000160063417 372208584 /nfs/dbraw/zinc/20/85/84/372208584.db2.gz XDLLCAHOYXDCMQ-GFCCVEGCSA-N 1 0 283.437 3.412 20 70 CGIDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160182224 372221746 /nfs/dbraw/zinc/22/17/46/372221746.db2.gz NDNQDPDLFYKMNH-QWHCGFSZSA-N 1 0 257.381 3.449 20 70 CGIDRO COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(C)(C)O2)cc1OC ZINC000160231986 372227686 /nfs/dbraw/zinc/22/76/86/372227686.db2.gz LFEDNCRQJYJLLN-JSGCOSHPSA-N 1 0 293.407 3.312 20 70 CGIDRO COc1cc(C[N@H+](C)CCOCC2CC2)ccc1SC ZINC000159814275 372182959 /nfs/dbraw/zinc/18/29/59/372182959.db2.gz JLRBERPVLDMHRW-UHFFFAOYSA-N 1 0 295.448 3.276 20 70 CGIDRO CCCn1ccc2ccc(NC(=O)CC3CC[NH2+]CC3)cc21 ZINC000159852946 372187290 /nfs/dbraw/zinc/18/72/90/372187290.db2.gz MQZVPFNSCOUKKV-UHFFFAOYSA-N 1 0 299.418 3.380 20 70 CGIDRO C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc21)c1ccco1 ZINC000159927760 372194904 /nfs/dbraw/zinc/19/49/04/372194904.db2.gz NOOMFIRROKXLNW-UONOGXRCSA-N 1 0 270.376 3.381 20 70 CGIDRO COc1cccc(OCCC[NH2+][C@@H](C)c2cccnc2)c1 ZINC000160993382 372292328 /nfs/dbraw/zinc/29/23/28/372292328.db2.gz BMVGFSJLSGIIMI-AWEZNQCLSA-N 1 0 286.375 3.210 20 70 CGIDRO CC[C@H](COC)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161040132 372296643 /nfs/dbraw/zinc/29/66/43/372296643.db2.gz BAZSQRFZQCCWPT-RHSMWYFYSA-N 1 0 293.407 3.170 20 70 CGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccnc1Cl ZINC000161047758 372298563 /nfs/dbraw/zinc/29/85/63/372298563.db2.gz ZCNHJGPIAFKNQF-UPJWGTAASA-N 1 0 281.831 3.258 20 70 CGIDRO CSC[C@@H](CCO)[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000160437356 372248613 /nfs/dbraw/zinc/24/86/13/372248613.db2.gz OZZNLYZFYZSTSM-IAGOWNOFSA-N 1 0 293.476 3.020 20 70 CGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(F)c(SC)c1 ZINC000160501347 372252217 /nfs/dbraw/zinc/25/22/17/372252217.db2.gz NHUKPIXRPFMSNM-NSHDSACASA-N 1 0 298.427 3.008 20 70 CGIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc(C3CCC3)s2)CCO1 ZINC000160504258 372254501 /nfs/dbraw/zinc/25/45/01/372254501.db2.gz DXDJIULNVSXHCO-LBPRGKRZSA-N 1 0 280.437 3.458 20 70 CGIDRO CC[C@H]([NH2+]CCCCc1nc(C)cs1)c1cnn(C)c1 ZINC000160643387 372264013 /nfs/dbraw/zinc/26/40/13/372264013.db2.gz FTADXGYYKBWIHS-AWEZNQCLSA-N 1 0 292.452 3.249 20 70 CGIDRO Cc1cccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)c1C ZINC000160833963 372279118 /nfs/dbraw/zinc/27/91/18/372279118.db2.gz GUQUXLVFFVUZTM-YJBOKZPZSA-N 1 0 296.414 3.051 20 70 CGIDRO Cc1ccc(C[N@@H+](C)Cc2ccc3c[nH]nc3c2)o1 ZINC000160848372 372281081 /nfs/dbraw/zinc/28/10/81/372281081.db2.gz XAYZTDOYICXVTQ-UHFFFAOYSA-N 1 0 255.321 3.096 20 70 CGIDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)C(C)(C)[NH3+] ZINC000160844207 372281844 /nfs/dbraw/zinc/28/18/44/372281844.db2.gz QGCAKCKDOJAZOM-UHFFFAOYSA-N 1 0 298.386 3.250 20 70 CGIDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(F)cc1 ZINC000160891257 372285211 /nfs/dbraw/zinc/28/52/11/372285211.db2.gz YPKLQXHHWGTKTQ-KRWDZBQOSA-N 1 0 292.398 3.125 20 70 CGIDRO CCn1nccc1CN(C)CCOc1ccc(Cl)cc1 ZINC000161158187 372305422 /nfs/dbraw/zinc/30/54/22/372305422.db2.gz YRZFMSRODDYXAM-UHFFFAOYSA-N 1 0 293.798 3.067 20 70 CGIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc([C@H](C)OC)c1 ZINC000161208201 372309802 /nfs/dbraw/zinc/30/98/02/372309802.db2.gz MLNLUPKTOBEHNL-LBPRGKRZSA-N 1 0 278.396 3.098 20 70 CGIDRO C[NH2+]C[C@@H](C)C(=O)N1CCCC[C@H]1c1cccc(C)c1C ZINC000161338348 372317778 /nfs/dbraw/zinc/31/77/78/372317778.db2.gz OMZIZDFRFQKVRE-PBHICJAKSA-N 1 0 288.435 3.213 20 70 CGIDRO Cc1cc(C)c(C[NH2+]C2CCC3(CC2)OCCO3)c(C)c1 ZINC000161376678 372319619 /nfs/dbraw/zinc/31/96/19/372319619.db2.gz JEIVWHVWAIKOCA-UHFFFAOYSA-N 1 0 289.419 3.387 20 70 CGIDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000161415808 372321340 /nfs/dbraw/zinc/32/13/40/372321340.db2.gz TWWAXJLJVDUFDO-GOEBONIOSA-N 1 0 274.408 3.105 20 70 CGIDRO C[C@@H](CSC(C)(C)C)[NH2+]C[C@H](CO)c1ccccc1 ZINC000161490891 372329570 /nfs/dbraw/zinc/32/95/70/372329570.db2.gz FXHQZZHRPUIBPW-DZGCQCFKSA-N 1 0 281.465 3.272 20 70 CGIDRO Cn1cc(C[N@H+](C)CC23CC4CC(CC(C4)C2)C3)cn1 ZINC000218757663 376189178 /nfs/dbraw/zinc/18/91/78/376189178.db2.gz UEYVGNJTDHVMKX-UHFFFAOYSA-N 1 0 273.424 3.068 20 70 CGIDRO CC[C@@H](C)[N@H+](C)CCNc1nc2ccccc2s1 ZINC000217365913 376173024 /nfs/dbraw/zinc/17/30/24/376173024.db2.gz YVOGEXMUXZHCHU-LLVKDONJSA-N 1 0 263.410 3.439 20 70 CGIDRO CCn1cc([C@H](C)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cn1 ZINC000217458486 376174486 /nfs/dbraw/zinc/17/44/86/376174486.db2.gz FDUXBMPXODVXRO-VYDXJSESSA-N 1 0 292.471 3.064 20 70 CGIDRO Cc1cc(C(=O)CN2CCC[C@H]3CCCC[C@H]32)c(C)[nH]1 ZINC000217811252 376179678 /nfs/dbraw/zinc/17/96/78/376179678.db2.gz YTHAMVGEDWGTAY-GDBMZVCRSA-N 1 0 274.408 3.469 20 70 CGIDRO C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C1 ZINC000218073170 376183149 /nfs/dbraw/zinc/18/31/49/376183149.db2.gz NQYAYYLFCAMSJN-STQMWFEESA-N 1 0 298.377 3.280 20 70 CGIDRO CCC(C)(CC)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159408218 542149896 /nfs/dbraw/zinc/14/98/96/542149896.db2.gz WOGCOIINEXQHLX-UHFFFAOYSA-N 1 0 282.472 3.393 20 70 CGIDRO CN(C)c1ccc(C[NH2+][C@H](c2ccccc2)C2CC2)cn1 ZINC000159660537 542150922 /nfs/dbraw/zinc/15/09/22/542150922.db2.gz IRPVCTULUBUSGJ-GOSISDBHSA-N 1 0 281.403 3.389 20 70 CGIDRO Cc1ccccc1[C@H](NC(=O)[C@H](C)[NH3+])C1CCC(C)CC1 ZINC000159685700 542150410 /nfs/dbraw/zinc/15/04/10/542150410.db2.gz QGYNQURWIBDXHI-ARMAHUPYSA-N 1 0 288.435 3.326 20 70 CGIDRO CC(C)(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000161284958 542157734 /nfs/dbraw/zinc/15/77/34/542157734.db2.gz PGKFSHMIVCRKJR-RYUDHWBXSA-N 1 0 294.826 3.004 20 70 CGIDRO Cc1cc2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)oc2cc1C ZINC000161447739 542158923 /nfs/dbraw/zinc/15/89/23/542158923.db2.gz ZXNLHVKIXXBZPE-ZIAGYGMSSA-N 1 0 286.375 3.049 20 70 CGIDRO CC(C)CCOc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160307955 392581717 /nfs/dbraw/zinc/58/17/17/392581717.db2.gz NRKGPHSAYZIGNO-OAHLLOKOSA-N 1 0 290.407 3.192 20 70 CGIDRO CCC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)C1CCCCC1 ZINC000160462862 392581983 /nfs/dbraw/zinc/58/19/83/392581983.db2.gz WEHULPRFAGJZPS-HOTGVXAUSA-N 1 0 290.455 3.240 20 70 CGIDRO C[C@H](CC(=O)N[C@@H](C)CCC(C)(C)C)C1CC[NH2+]CC1 ZINC000159772930 165468969 /nfs/dbraw/zinc/46/89/69/165468969.db2.gz IHVMRMSWJUHKTF-KGLIPLIRSA-N 1 0 282.472 3.343 20 70 CGIDRO CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)s1 ZINC000160462559 165480497 /nfs/dbraw/zinc/48/04/97/165480497.db2.gz XWGLBMQWZJFZOP-RTXFEEFZSA-N 1 0 282.453 3.216 20 70 CGIDRO COc1cccc(Cl)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000218146175 287628492 /nfs/dbraw/zinc/62/84/92/287628492.db2.gz LVHPOPCOFRUBAK-GHMZBOCLSA-N 1 0 283.799 3.394 20 70 CGIDRO C[C@@H](NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1cscn1 ZINC000218232509 287628524 /nfs/dbraw/zinc/62/85/24/287628524.db2.gz IYTSANPQXFTSAU-UMVBOHGHSA-N 1 0 281.469 3.304 20 70 CGIDRO O=C(/C=C\c1cc(Cl)ccc1Cl)NCc1ncc[nH]1 ZINC000217006942 262274931 /nfs/dbraw/zinc/27/49/31/262274931.db2.gz DXDHSJQAIRNZSE-RJRFIUFISA-N 1 0 296.157 3.046 20 70 CGIDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000218775448 270085619 /nfs/dbraw/zinc/08/56/19/270085619.db2.gz OHMRFHGWGATGCT-RWMBFGLXSA-N 1 0 285.815 3.104 20 70 CGIDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCOc3ccccc32)CCO1 ZINC000159776387 275867941 /nfs/dbraw/zinc/86/79/41/275867941.db2.gz BCXIPPBHZDONRE-UONOGXRCSA-N 1 0 275.392 3.100 20 70 CGIDRO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccnc1Cl ZINC000161173438 276160848 /nfs/dbraw/zinc/16/08/48/276160848.db2.gz UXOXPQQGPWYJJZ-STQMWFEESA-N 1 0 281.831 3.260 20 70 CGIDRO CC[C@H]([NH2+]CCOc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000159640466 321838133 /nfs/dbraw/zinc/83/81/33/321838133.db2.gz ICGRTQACGUZEDM-DOMZBBRYSA-N 1 0 283.799 3.124 20 70 CGIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160572764 321854100 /nfs/dbraw/zinc/85/41/00/321854100.db2.gz XROTXJYZPHPOHX-CVEARBPZSA-N 1 0 290.451 3.043 20 70 CGIDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000160811206 321858155 /nfs/dbraw/zinc/85/81/55/321858155.db2.gz YDFSEGBCYOMVJE-OAHLLOKOSA-N 1 0 294.483 3.393 20 70 CGIDRO CCc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)s1 ZINC000160409303 524046794 /nfs/dbraw/zinc/04/67/94/524046794.db2.gz LQIXCQWRSPEUQE-QWRGUYRKSA-N 1 0 273.467 3.075 20 70 CGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCOCC(F)(F)F)n1 ZINC000160420390 524849953 /nfs/dbraw/zinc/84/99/53/524849953.db2.gz CDONEUNQUWDHOB-ZDUSSCGKSA-N 1 0 288.313 3.106 20 70 CGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)C1CCOCC1 ZINC000161008469 525398795 /nfs/dbraw/zinc/39/87/95/525398795.db2.gz NVQKNRUSFWQHBB-BBRMVZONSA-N 1 0 259.393 3.121 20 70 CGIDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)NC(C)C ZINC000161007935 525422464 /nfs/dbraw/zinc/42/24/64/525422464.db2.gz OVBJZJATCYOURQ-INIZCTEOSA-N 1 0 276.424 3.196 20 70 CGIDRO C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)C(C)(C)C ZINC000160621388 525440755 /nfs/dbraw/zinc/44/07/55/525440755.db2.gz UBYRFPPLHXPYBO-HNNXBMFYSA-N 1 0 290.451 3.043 20 70 CGIDRO CC(C)(C)c1ncc(C[NH2+][C@H]2CCOC(C)(C)C2)s1 ZINC000160434986 526881354 /nfs/dbraw/zinc/88/13/54/526881354.db2.gz DRYHTUVLQRIMGC-NSHDSACASA-N 1 0 282.453 3.488 20 70 CGIDRO CCN(CC)c1ncc(C[NH2+][C@@H]2CCOC(C)(C)C2)s1 ZINC000160478669 528318304 /nfs/dbraw/zinc/31/83/04/528318304.db2.gz DMBKLQXZDUPMQE-GFCCVEGCSA-N 1 0 297.468 3.037 20 70 CGIDRO